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 2b5m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXET SFGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLXXXXXXXX XREATADDLI KVVEELTRIH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.814 176.300 -0.809 0.000 1.140 1 M CA 0.000 54.963 55.300 -0.561 0.000 0.988 1 M CB 0.000 32.434 32.600 -0.276 0.000 1.302 2 S N -0.012 115.031 115.700 -1.095 0.000 2.532 2 S HA 0.863 5.332 4.470 -0.002 0.000 0.299 2 S C -1.293 172.800 174.600 -0.845 0.000 1.105 2 S CA -0.501 57.211 58.200 -0.814 0.000 1.018 2 S CB 1.798 64.710 63.200 -0.480 0.000 1.021 2 S HN 0.324 nan 8.310 nan 0.000 0.483 3 Y N 1.856 121.940 120.300 -0.359 0.000 2.422 3 Y HA 0.474 5.022 4.550 -0.003 0.000 0.344 3 Y C -0.331 175.445 175.900 -0.207 0.000 1.097 3 Y CA -1.160 56.716 58.100 -0.373 0.000 1.307 3 Y CB 0.941 39.242 38.460 -0.265 0.000 1.102 3 Y HN 0.705 nan 8.280 nan 0.000 0.520 4 N N 1.424 120.023 118.700 -0.168 0.000 2.328 4 N HA 0.410 5.149 4.740 -0.002 0.000 0.299 4 N C -1.715 173.809 175.510 0.024 0.000 1.179 4 N CA -0.791 52.136 53.050 -0.205 0.000 0.793 4 N CB 2.965 41.053 38.487 -0.666 0.000 1.366 4 N HN 0.547 nan 8.380 nan 0.000 0.493 5 Y N 0.534 120.844 120.300 0.016 0.000 2.373 5 Y HA 0.462 5.011 4.550 -0.002 0.000 0.336 5 Y C -0.914 175.075 175.900 0.150 0.000 0.979 5 Y CA -0.797 57.370 58.100 0.111 0.000 1.080 5 Y CB 1.097 39.611 38.460 0.090 0.000 1.190 5 Y HN 0.289 nan 8.280 nan 0.000 0.446 6 V N 4.714 124.540 119.914 -0.146 0.000 2.735 6 V HA 0.945 5.063 4.120 -0.002 0.000 0.310 6 V C -1.153 174.914 176.094 -0.045 0.000 1.061 6 V CA -0.910 61.401 62.300 0.019 0.000 0.913 6 V CB 0.967 32.780 31.823 -0.017 0.000 1.005 6 V HN 0.688 nan 8.190 nan 0.000 0.428 7 V N 0.364 120.366 119.914 0.147 0.000 3.114 7 V HA 0.669 4.788 4.120 -0.002 0.000 0.308 7 V C 0.108 176.216 176.094 0.025 0.000 1.168 7 V CA -0.621 61.756 62.300 0.128 0.000 1.015 7 V CB 1.705 33.686 31.823 0.264 0.000 1.050 7 V HN 0.915 nan 8.190 nan 0.000 0.433 8 T N 1.943 116.487 114.554 -0.018 0.000 2.884 8 T HA 0.543 4.891 4.350 -0.002 0.000 0.298 8 T C 0.983 175.479 174.700 -0.340 0.000 0.998 8 T CA 0.507 62.545 62.100 -0.104 0.000 1.124 8 T CB 1.576 70.436 68.868 -0.013 0.000 0.931 8 T HN 1.161 nan 8.240 nan 0.000 0.531 9 A N 2.513 125.133 122.820 -0.334 0.000 2.108 9 A HA 0.344 4.663 4.320 -0.002 0.000 0.206 9 A C 0.808 178.281 177.584 -0.186 0.000 1.212 9 A CA 0.253 52.072 52.037 -0.363 0.000 0.843 9 A CB 0.209 19.049 19.000 -0.267 0.000 0.902 9 A HN 0.632 nan 8.150 nan 0.000 0.477 10 Q N 0.488 120.203 119.800 -0.142 0.000 2.280 10 Q HA 0.380 4.718 4.340 -0.002 0.000 0.259 10 Q C -1.359 174.607 176.000 -0.056 0.000 0.964 10 Q CA -0.422 55.335 55.803 -0.077 0.000 0.844 10 Q CB 1.075 29.768 28.738 -0.074 0.000 1.334 10 Q HN 0.270 nan 8.270 nan 0.000 0.423 11 K N 3.971 124.357 120.400 -0.023 0.000 2.230 11 K HA 0.334 4.653 4.320 -0.002 0.000 0.253 11 K C -2.238 174.360 176.600 -0.003 0.000 1.008 11 K CA -1.580 54.707 56.287 -0.001 0.000 0.910 11 K CB -0.011 32.495 32.500 0.009 0.000 0.994 11 K HN 0.512 nan 8.250 nan 0.000 0.495 12 P HA -0.038 nan 4.420 nan 0.000 0.268 12 P C 0.293 177.596 177.300 0.005 0.000 1.205 12 P CA 0.243 63.347 63.100 0.007 0.000 0.771 12 P CB 0.533 32.240 31.700 0.011 0.000 0.858 13 T N -1.442 113.115 114.554 0.004 0.000 2.975 13 T HA 0.384 4.733 4.350 -0.002 0.000 0.257 13 T C 0.765 175.477 174.700 0.020 0.000 1.003 13 T CA -0.138 61.970 62.100 0.013 0.000 0.932 13 T CB -0.061 68.813 68.868 0.010 0.000 1.087 13 T HN 0.392 nan 8.240 nan 0.000 0.512 14 A N 1.441 124.267 122.820 0.011 0.000 2.407 14 A HA 0.609 4.928 4.320 -0.002 0.000 0.248 14 A C 0.022 177.618 177.584 0.020 0.000 1.082 14 A CA -0.368 51.676 52.037 0.012 0.000 0.785 14 A CB 0.336 19.335 19.000 -0.001 0.000 1.020 14 A HN 0.349 nan 8.150 nan 0.000 0.489 15 V N 3.588 123.520 119.914 0.031 0.000 2.370 15 V HA 0.201 4.320 4.120 -0.002 0.000 0.279 15 V C 0.388 176.499 176.094 0.027 0.000 1.029 15 V CA -0.518 61.811 62.300 0.049 0.000 0.870 15 V CB 1.088 32.976 31.823 0.109 0.000 0.984 15 V HN 1.008 nan 8.190 nan 0.000 0.451 16 N N 3.232 121.941 118.700 0.016 0.000 2.510 16 N HA 0.184 4.923 4.740 -0.002 0.000 0.186 16 N C 0.602 176.115 175.510 0.004 0.000 1.051 16 N CA 0.680 53.729 53.050 -0.001 0.000 0.877 16 N CB 1.411 39.885 38.487 -0.022 0.000 1.183 16 N HN 0.720 nan 8.380 nan 0.000 0.443 17 G N 0.002 108.808 108.800 0.011 0.000 2.672 17 G HA2 0.555 4.513 3.960 -0.002 0.000 0.292 17 G HA3 0.555 4.513 3.960 -0.002 0.000 0.292 17 G C -1.290 173.632 174.900 0.037 0.000 1.375 17 G CA -0.469 44.637 45.100 0.011 0.000 0.890 17 G HN 0.277 nan 8.290 nan 0.000 0.476 18 c N -0.474 118.149 118.600 0.040 0.000 3.097 18 c HA 0.702 5.271 4.570 -0.002 0.000 0.422 18 c C -0.943 173.166 174.090 0.032 0.000 0.999 18 c CA -0.789 55.566 56.329 0.043 0.000 1.235 18 c CB 0.369 42.971 42.510 0.154 0.000 1.615 18 c HN 1.036 nan 8.230 nan 0.000 0.553 19 V N 2.677 122.585 119.914 -0.009 0.000 3.113 19 V HA 0.910 5.029 4.120 -0.002 0.000 0.316 19 V C -0.136 175.946 176.094 -0.020 0.000 1.125 19 V CA 0.181 62.483 62.300 0.004 0.000 1.026 19 V CB 2.527 34.347 31.823 -0.005 0.000 1.080 19 V HN 1.113 nan 8.190 nan 0.000 0.444 20 T N 1.738 116.294 114.554 0.002 0.000 2.876 20 T HA 0.878 5.227 4.350 -0.002 0.000 0.289 20 T C -0.141 174.533 174.700 -0.043 0.000 1.014 20 T CA 0.456 62.538 62.100 -0.030 0.000 0.986 20 T CB 1.241 70.109 68.868 0.000 0.000 1.021 20 T HN 1.419 nan 8.240 nan 0.000 0.458 21 G N 1.872 110.594 108.800 -0.129 0.000 2.441 21 G HA2 0.333 4.292 3.960 -0.002 0.000 0.225 21 G HA3 0.333 4.292 3.960 -0.002 0.000 0.225 21 G C -1.964 172.682 174.900 -0.423 0.000 1.200 21 G CA -0.677 44.303 45.100 -0.200 0.000 0.947 21 G HN 0.703 nan 8.290 nan 0.000 0.484 22 H N 0.130 119.245 119.070 0.076 0.000 2.645 22 H HA 0.520 5.075 4.556 -0.002 0.000 0.257 22 H C -0.031 175.374 175.328 0.129 0.000 1.269 22 H CA -0.767 55.325 56.048 0.074 0.000 1.409 22 H CB 1.025 30.817 29.762 0.049 0.000 1.434 22 H HN 0.302 nan 8.280 nan 0.000 0.505 23 F N 1.128 121.074 119.950 -0.006 0.000 2.446 23 F HA 0.012 4.537 4.527 -0.002 0.000 0.292 23 F C 1.695 177.439 175.800 -0.093 0.000 1.096 23 F CA 0.798 58.769 58.000 -0.048 0.000 1.438 23 F CB 0.296 39.225 39.000 -0.120 0.000 1.107 23 F HN 0.364 nan 8.300 nan 0.000 0.546 24 T N -0.465 114.002 114.554 -0.145 0.000 2.706 24 T HA 0.055 4.404 4.350 -0.002 0.000 0.255 24 T C 0.337 175.029 174.700 -0.013 0.000 1.048 24 T CA 1.357 63.302 62.100 -0.259 0.000 1.153 24 T CB -0.239 68.490 68.868 -0.231 0.000 0.865 24 T HN 0.086 nan 8.240 nan 0.000 0.414 25 S N -0.475 115.243 115.700 0.029 0.000 2.548 25 S HA 0.654 5.123 4.470 -0.002 0.000 0.276 25 S C 1.039 175.681 174.600 0.070 0.000 1.129 25 S CA -0.386 57.841 58.200 0.045 0.000 0.931 25 S CB 1.813 65.036 63.200 0.038 0.000 1.068 25 S HN 0.346 nan 8.310 nan 0.000 0.480 26 A N 1.508 124.344 122.820 0.028 0.000 1.985 26 A HA -0.206 4.113 4.320 -0.002 0.000 0.223 26 A C 0.984 178.519 177.584 -0.081 0.000 1.189 26 A CA 2.170 54.190 52.037 -0.028 0.000 0.658 26 A CB -0.624 18.341 19.000 -0.058 0.000 0.820 26 A HN 0.823 nan 8.150 nan 0.000 0.464 27 E N -0.184 120.020 120.200 0.007 0.000 3.351 27 E HA 0.574 4.923 4.350 -0.002 0.000 0.220 27 E C -1.089 175.569 176.600 0.097 0.000 1.150 27 E CA -0.350 56.066 56.400 0.026 0.000 1.359 27 E CB -0.230 29.470 29.700 0.000 0.000 1.365 27 E HN 0.303 nan 8.360 nan 0.000 0.434 28 D N 0.499 121.021 120.400 0.203 0.000 2.878 28 D HA 0.277 4.916 4.640 -0.002 0.000 0.211 28 D C -1.991 174.410 176.300 0.168 0.000 1.271 28 D CA -0.623 53.460 54.000 0.138 0.000 0.845 28 D CB 1.405 42.252 40.800 0.078 0.000 1.679 28 D HN 0.200 nan 8.370 nan 0.000 0.536 29 L N 3.760 125.011 121.223 0.046 0.000 2.265 29 L HA 0.603 4.942 4.340 -0.002 0.000 0.289 29 L C -0.998 175.812 176.870 -0.099 0.000 1.033 29 L CA -0.255 54.520 54.840 -0.108 0.000 0.814 29 L CB 0.669 42.680 42.059 -0.080 0.000 1.203 29 L HN 0.322 nan 8.230 nan 0.000 0.423 30 N N 4.415 123.035 118.700 -0.134 0.000 2.483 30 N HA 0.593 5.332 4.740 -0.002 0.000 0.285 30 N C -1.438 174.017 175.510 -0.092 0.000 1.210 30 N CA -0.556 52.447 53.050 -0.078 0.000 0.931 30 N CB 2.304 40.762 38.487 -0.048 0.000 1.220 30 N HN 0.541 nan 8.380 nan 0.000 0.542 31 L N 0.894 122.077 121.223 -0.066 0.000 2.409 31 L HA 0.503 4.841 4.340 -0.002 0.000 0.272 31 L C -1.858 174.976 176.870 -0.060 0.000 0.980 31 L CA -0.591 54.180 54.840 -0.115 0.000 0.826 31 L CB 1.426 43.342 42.059 -0.238 0.000 1.268 31 L HN 0.281 nan 8.230 nan 0.000 0.407 32 L N 6.282 127.447 121.223 -0.096 0.000 2.298 32 L HA 0.586 4.924 4.340 -0.002 0.000 0.284 32 L C -0.617 176.199 176.870 -0.089 0.000 1.013 32 L CA 0.045 54.833 54.840 -0.087 0.000 0.824 32 L CB 1.413 43.380 42.059 -0.154 0.000 1.221 32 L HN 0.522 nan 8.230 nan 0.000 0.418 33 I N 2.898 123.434 120.570 -0.057 0.000 2.474 33 I HA 0.685 4.853 4.170 -0.002 0.000 0.294 33 I C -0.057 176.044 176.117 -0.026 0.000 1.005 33 I CA -0.701 60.564 61.300 -0.059 0.000 1.113 33 I CB 2.018 39.957 38.000 -0.103 0.000 1.289 33 I HN 0.648 nan 8.210 nan 0.000 0.436 34 A N 5.873 128.682 122.820 -0.019 0.000 2.303 34 A HA 0.669 4.987 4.320 -0.002 0.000 0.320 34 A C -0.257 177.318 177.584 -0.016 0.000 1.192 34 A CA -0.491 51.526 52.037 -0.033 0.000 0.821 34 A CB 1.269 20.238 19.000 -0.050 0.000 1.188 34 A HN 0.699 nan 8.150 nan 0.000 0.492 35 K N 0.854 121.240 120.400 -0.024 0.000 4.047 35 K HA 0.255 4.573 4.320 -0.002 0.000 0.172 35 K C 1.449 178.029 176.600 -0.033 0.000 1.146 35 K CA 0.908 57.186 56.287 -0.016 0.000 1.760 35 K CB -0.131 32.363 32.500 -0.010 0.000 2.442 35 K HN 0.718 nan 8.250 nan 0.000 0.539 36 N N -1.005 117.675 118.700 -0.034 0.000 2.530 36 N HA -0.062 4.677 4.740 -0.002 0.000 0.216 36 N C 0.667 176.137 175.510 -0.067 0.000 1.031 36 N CA 1.676 54.696 53.050 -0.050 0.000 1.063 36 N CB -0.239 38.225 38.487 -0.039 0.000 1.346 36 N HN 0.352 nan 8.380 nan 0.000 0.515 37 T N -1.504 113.017 114.554 -0.055 0.000 3.244 37 T HA 0.430 4.779 4.350 -0.002 0.000 0.254 37 T C 0.086 174.728 174.700 -0.096 0.000 1.024 37 T CA -0.394 61.642 62.100 -0.107 0.000 0.920 37 T CB -0.153 68.667 68.868 -0.079 0.000 1.042 37 T HN -0.025 nan 8.240 nan 0.000 0.572 38 R N 1.256 121.715 120.500 -0.068 0.000 2.480 38 R HA 0.538 4.877 4.340 -0.002 0.000 0.306 38 R C -1.429 174.835 176.300 -0.061 0.000 0.958 38 R CA -0.944 55.120 56.100 -0.060 0.000 0.861 38 R CB 2.080 32.360 30.300 -0.033 0.000 1.171 38 R HN 0.297 nan 8.270 nan 0.000 0.445 39 L N 1.906 123.089 121.223 -0.067 0.000 2.280 39 L HA 0.443 4.782 4.340 -0.002 0.000 0.287 39 L C -0.459 176.381 176.870 -0.051 0.000 1.023 39 L CA 0.054 54.857 54.840 -0.062 0.000 0.819 39 L CB 1.289 43.305 42.059 -0.072 0.000 1.212 39 L HN 0.528 nan 8.230 nan 0.000 0.420 40 E N 5.160 125.337 120.200 -0.039 0.000 2.176 40 E HA 0.509 4.858 4.350 -0.002 0.000 0.267 40 E C -1.172 175.383 176.600 -0.075 0.000 0.893 40 E CA -0.471 55.892 56.400 -0.061 0.000 0.761 40 E CB 1.619 31.355 29.700 0.060 0.000 1.133 40 E HN 0.615 nan 8.360 nan 0.000 0.409 41 I N 4.221 124.657 120.570 -0.224 0.000 2.378 41 I HA 0.327 4.495 4.170 -0.002 0.000 0.291 41 I C -0.969 174.920 176.117 -0.381 0.000 0.992 41 I CA -0.694 60.503 61.300 -0.173 0.000 1.154 41 I CB 0.617 38.571 38.000 -0.075 0.000 1.315 41 I HN 0.461 nan 8.210 nan 0.000 0.448 42 Y N 4.493 124.711 120.300 -0.137 0.000 2.562 42 Y HA 0.570 5.119 4.550 -0.002 0.000 0.343 42 Y C -0.109 175.721 175.900 -0.117 0.000 1.025 42 Y CA -1.047 56.973 58.100 -0.132 0.000 1.082 42 Y CB 1.957 40.309 38.460 -0.180 0.000 1.264 42 Y HN 0.117 nan 8.280 nan 0.000 0.478 43 V N 3.268 123.214 119.914 0.054 0.000 2.357 43 V HA 0.299 4.417 4.120 -0.002 0.000 0.284 43 V C -0.421 175.689 176.094 0.027 0.000 1.018 43 V CA -1.018 61.289 62.300 0.013 0.000 0.841 43 V CB 1.198 33.021 31.823 0.001 0.000 0.991 43 V HN 0.551 nan 8.190 nan 0.000 0.437 44 V N 5.515 125.428 119.914 -0.002 0.000 2.655 44 V HA 0.431 4.549 4.120 -0.002 0.000 0.300 44 V C 0.717 176.813 176.094 0.003 0.000 1.044 44 V CA 0.383 62.676 62.300 -0.011 0.000 1.095 44 V CB 1.049 32.846 31.823 -0.043 0.000 0.952 44 V HN 1.097 nan 8.190 nan 0.000 0.485 45 T N 1.079 115.639 114.554 0.010 0.000 2.812 45 T HA 0.698 5.046 4.350 -0.002 0.000 0.294 45 T C 0.980 175.688 174.700 0.014 0.000 1.159 45 T CA -0.084 62.026 62.100 0.016 0.000 1.008 45 T CB 1.739 70.624 68.868 0.028 0.000 1.289 45 T HN 0.772 nan 8.240 nan 0.000 0.514 46 A N 0.912 123.742 122.820 0.017 0.000 1.883 46 A HA -0.287 4.031 4.320 -0.002 0.000 0.222 46 A C 2.160 179.757 177.584 0.021 0.000 1.339 46 A CA 3.109 55.157 52.037 0.018 0.000 0.692 46 A CB -1.770 17.243 19.000 0.021 0.000 0.845 46 A HN 1.138 nan 8.150 nan 0.000 0.467 47 E N -1.327 118.890 120.200 0.029 0.000 2.049 47 E HA 0.150 4.499 4.350 -0.002 0.000 0.198 47 E C 1.182 177.805 176.600 0.038 0.000 1.007 47 E CA 2.454 58.875 56.400 0.035 0.000 0.809 47 E CB -0.343 29.384 29.700 0.044 0.000 0.749 47 E HN 0.888 nan 8.360 nan 0.000 0.450 48 G N -1.508 107.317 108.800 0.042 0.000 2.563 48 G HA2 0.196 4.155 3.960 -0.002 0.000 0.068 48 G HA3 0.196 4.155 3.960 -0.002 0.000 0.068 48 G C -1.627 173.304 174.900 0.052 0.000 1.001 48 G CA -0.277 44.857 45.100 0.056 0.000 1.188 48 G HN 0.084 nan 8.290 nan 0.000 0.512 49 L N 1.575 122.844 121.223 0.077 0.000 2.305 49 L HA 0.751 5.090 4.340 -0.002 0.000 0.284 49 L C -0.335 176.631 176.870 0.160 0.000 1.013 49 L CA -0.750 54.139 54.840 0.081 0.000 0.819 49 L CB 1.591 43.621 42.059 -0.047 0.000 1.227 49 L HN 0.310 nan 8.230 nan 0.000 0.417 50 R N 4.189 124.769 120.500 0.132 0.000 2.215 50 R HA 0.481 4.819 4.340 -0.002 0.000 0.336 50 R C -2.407 173.929 176.300 0.061 0.000 0.996 50 R CA -2.717 53.439 56.100 0.092 0.000 0.847 50 R CB 0.863 31.195 30.300 0.055 0.000 1.127 50 R HN 0.265 nan 8.270 nan 0.000 0.465 51 P HA 0.046 nan 4.420 nan 0.000 0.272 51 P C 0.415 177.627 177.300 -0.146 0.000 1.223 51 P CA -0.105 62.854 63.100 -0.235 0.000 0.784 51 P CB 0.980 32.534 31.700 -0.242 0.000 0.923 52 V N -1.781 118.020 119.914 -0.188 0.000 3.261 52 V HA 0.463 4.581 4.120 -0.002 0.000 0.212 52 V C -0.002 176.073 176.094 -0.032 0.000 1.381 52 V CA 0.448 62.713 62.300 -0.059 0.000 1.322 52 V CB -0.335 31.474 31.823 -0.023 0.000 1.188 52 V HN 0.325 nan 8.190 nan 0.000 0.520 53 K N 0.477 120.836 120.400 -0.068 0.000 2.542 53 K HA 0.559 4.877 4.320 -0.002 0.000 0.259 53 K C -1.584 174.971 176.600 -0.075 0.000 0.932 53 K CA -0.199 56.078 56.287 -0.016 0.000 0.820 53 K CB 2.259 34.836 32.500 0.127 0.000 1.345 53 K HN 0.288 nan 8.250 nan 0.000 0.432 54 E N 3.941 124.100 120.200 -0.069 0.000 2.267 54 E HA 0.263 4.611 4.350 -0.002 0.000 0.248 54 E C -1.048 175.522 176.600 -0.050 0.000 0.899 54 E CA -0.617 55.735 56.400 -0.081 0.000 0.764 54 E CB 1.178 30.826 29.700 -0.086 0.000 1.227 54 E HN 0.522 nan 8.360 nan 0.000 0.421 55 V N 1.002 120.890 119.914 -0.043 0.000 2.837 55 V HA 0.934 5.053 4.120 -0.002 0.000 0.310 55 V C 0.404 176.451 176.094 -0.078 0.000 1.059 55 V CA -0.557 61.709 62.300 -0.057 0.000 1.004 55 V CB 1.706 33.500 31.823 -0.048 0.000 1.045 55 V HN 0.502 nan 8.190 nan 0.000 0.465 56 G N 3.208 111.944 108.800 -0.106 0.000 2.379 56 G HA2 0.628 4.587 3.960 -0.002 0.000 0.327 56 G HA3 0.628 4.587 3.960 -0.002 0.000 0.327 56 G C -0.722 174.026 174.900 -0.252 0.000 1.145 56 G CA -0.970 44.046 45.100 -0.140 0.000 0.905 56 G HN 0.750 nan 8.290 nan 0.000 0.466 57 M N 0.985 120.425 119.600 -0.267 0.000 2.409 57 M HA 0.280 4.759 4.480 -0.002 0.000 0.329 57 M C -0.817 175.180 176.300 -0.505 0.000 1.180 57 M CA -0.726 54.355 55.300 -0.365 0.000 1.053 57 M CB 1.926 34.364 32.600 -0.269 0.000 1.586 57 M HN 0.463 nan 8.290 nan 0.000 0.461 58 Y N 1.392 121.374 120.300 -0.530 0.000 2.826 58 Y HA 0.537 5.085 4.550 -0.002 0.000 0.371 58 Y C 0.727 175.880 175.900 -1.245 0.000 1.252 58 Y CA -0.566 56.891 58.100 -1.073 0.000 1.813 58 Y CB -0.490 37.748 38.460 -0.369 0.000 1.913 58 Y HN 0.752 nan 8.280 nan 0.000 0.447 59 G N 0.392 108.378 108.800 -1.358 0.000 2.340 59 G HA2 0.242 4.201 3.960 -0.002 0.000 0.298 59 G HA3 0.242 4.201 3.960 -0.002 0.000 0.298 59 G C -1.549 173.117 174.900 -0.390 0.000 1.498 59 G CA -1.365 43.280 45.100 -0.758 0.000 0.847 59 G HN 0.083 nan 8.290 nan 0.000 0.594 60 K N 0.695 121.056 120.400 -0.065 0.000 2.297 60 K HA 0.450 4.769 4.320 -0.002 0.000 0.286 60 K C 0.458 177.004 176.600 -0.091 0.000 1.053 60 K CA -0.332 55.923 56.287 -0.054 0.000 0.940 60 K CB 1.545 34.042 32.500 -0.004 0.000 1.019 60 K HN 0.342 nan 8.250 nan 0.000 0.475 61 I N 2.551 123.054 120.570 -0.111 0.000 2.496 61 I HA 0.006 4.174 4.170 -0.002 0.000 0.285 61 I C 0.865 176.919 176.117 -0.104 0.000 1.080 61 I CA 0.265 61.492 61.300 -0.122 0.000 1.404 61 I CB 1.314 39.242 38.000 -0.121 0.000 1.403 61 I HN 0.849 nan 8.210 nan 0.000 0.539 62 A N 6.086 128.837 122.820 -0.115 0.000 2.140 62 A HA 0.417 4.736 4.320 -0.002 0.000 0.199 62 A C 0.197 177.731 177.584 -0.084 0.000 1.416 62 A CA 0.169 52.153 52.037 -0.087 0.000 1.018 62 A CB 0.748 19.694 19.000 -0.090 0.000 1.117 62 A HN 0.435 nan 8.150 nan 0.000 0.480 63 V N 0.509 120.344 119.914 -0.131 0.000 2.733 63 V HA 0.585 4.703 4.120 -0.002 0.000 0.306 63 V C -0.792 175.188 176.094 -0.191 0.000 1.084 63 V CA -0.199 62.031 62.300 -0.116 0.000 0.905 63 V CB 1.669 33.439 31.823 -0.088 0.000 1.010 63 V HN 0.479 nan 8.190 nan 0.000 0.424 64 M N 4.385 123.922 119.600 -0.104 0.000 2.150 64 M HA 0.564 5.042 4.480 -0.002 0.000 0.255 64 M C -1.757 174.531 176.300 -0.020 0.000 0.963 64 M CA -0.135 55.101 55.300 -0.107 0.000 1.033 64 M CB 1.327 33.861 32.600 -0.111 0.000 2.007 64 M HN 0.653 nan 8.290 nan 0.000 0.462 65 E N 3.957 124.184 120.200 0.046 0.000 2.312 65 E HA 0.643 4.992 4.350 -0.002 0.000 0.267 65 E C -1.402 175.311 176.600 0.189 0.000 0.894 65 E CA -0.629 55.844 56.400 0.123 0.000 0.773 65 E CB 3.066 32.870 29.700 0.173 0.000 1.241 65 E HN 0.738 nan 8.360 nan 0.000 0.432 66 L N 1.904 123.249 121.223 0.203 0.000 2.322 66 L HA 0.689 5.028 4.340 -0.002 0.000 0.269 66 L C -0.415 176.720 176.870 0.441 0.000 1.012 66 L CA -1.032 53.968 54.840 0.266 0.000 0.815 66 L CB 1.008 43.136 42.059 0.115 0.000 1.295 66 L HN 0.590 nan 8.230 nan 0.000 0.438 67 F N 0.177 120.194 119.950 0.112 0.000 2.746 67 F HA 0.575 5.100 4.527 -0.002 0.000 0.311 67 F C -1.613 174.251 175.800 0.107 0.000 1.135 67 F CA -1.226 56.838 58.000 0.106 0.000 0.954 67 F CB 1.361 40.412 39.000 0.084 0.000 1.276 67 F HN 0.441 nan 8.300 nan 0.000 0.440 68 R N 1.687 122.154 120.500 -0.057 0.000 2.521 68 R HA 0.566 4.905 4.340 -0.002 0.000 0.295 68 R C -3.424 172.847 176.300 -0.048 0.000 1.183 68 R CA -1.642 54.377 56.100 -0.136 0.000 0.957 68 R CB 1.449 31.731 30.300 -0.030 0.000 1.171 68 R HN 0.404 nan 8.270 nan 0.000 0.494 69 P HA -0.017 nan 4.420 nan 0.000 0.270 69 P C -0.651 176.647 177.300 -0.003 0.000 1.223 69 P CA -0.388 62.710 63.100 -0.003 0.000 0.785 69 P CB 0.585 32.278 31.700 -0.012 0.000 0.923 70 K N 1.161 121.571 120.400 0.017 0.000 2.518 70 K HA 0.089 4.407 4.320 -0.002 0.000 0.276 70 K C 1.078 177.678 176.600 -0.000 0.000 0.974 70 K CA 0.599 56.893 56.287 0.011 0.000 0.986 70 K CB -1.407 31.102 32.500 0.016 0.000 0.901 70 K HN 0.811 nan 8.250 nan 0.000 0.497 71 G N 0.622 109.419 108.800 -0.004 0.000 2.155 71 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.257 71 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.257 71 G C -0.489 174.401 174.900 -0.016 0.000 0.983 71 G CA 0.358 45.453 45.100 -0.008 0.000 0.676 71 G HN 0.636 nan 8.290 nan 0.000 0.528 72 E N 0.172 120.358 120.200 -0.023 0.000 2.151 72 E HA 0.481 4.829 4.350 -0.002 0.000 0.275 72 E C 1.179 177.760 176.600 -0.030 0.000 0.936 72 E CA 0.258 56.636 56.400 -0.036 0.000 0.777 72 E CB 1.523 31.184 29.700 -0.065 0.000 1.108 72 E HN 0.197 nan 8.360 nan 0.000 0.401 73 S N 4.034 119.717 115.700 -0.027 0.000 2.345 73 S HA -0.096 4.373 4.470 -0.002 0.000 0.220 73 S C 0.889 175.477 174.600 -0.019 0.000 1.031 73 S CA 1.222 59.408 58.200 -0.022 0.000 0.996 73 S CB 0.208 63.395 63.200 -0.022 0.000 0.882 73 S HN 0.535 nan 8.310 nan 0.000 0.445 74 K N -0.278 120.116 120.400 -0.011 0.000 1.995 74 K HA 0.548 4.867 4.320 -0.002 0.000 0.244 74 K C -1.579 175.035 176.600 0.024 0.000 1.045 74 K CA -0.915 55.382 56.287 0.017 0.000 0.905 74 K CB -0.097 32.426 32.500 0.038 0.000 1.543 74 K HN 0.033 nan 8.250 nan 0.000 0.609 75 D N 0.680 121.136 120.400 0.093 0.000 2.193 75 D HA 0.380 5.019 4.640 -0.002 0.000 0.249 75 D C -0.298 176.073 176.300 0.119 0.000 1.034 75 D CA -0.427 53.617 54.000 0.074 0.000 0.902 75 D CB 1.122 42.015 40.800 0.154 0.000 1.182 75 D HN 0.328 nan 8.370 nan 0.000 0.436 76 L N 0.822 121.992 121.223 -0.089 0.000 2.399 76 L HA 0.397 4.736 4.340 -0.002 0.000 0.265 76 L C -0.323 176.650 176.870 0.171 0.000 1.089 76 L CA -1.168 53.685 54.840 0.022 0.000 0.802 76 L CB 0.790 42.687 42.059 -0.270 0.000 1.180 76 L HN 0.134 nan 8.230 nan 0.000 0.454 77 L N 1.991 123.369 121.223 0.259 0.000 2.282 77 L HA 0.458 4.796 4.340 -0.002 0.000 0.288 77 L C -0.852 176.220 176.870 0.336 0.000 1.033 77 L CA 0.058 54.969 54.840 0.118 0.000 0.807 77 L CB 1.045 42.927 42.059 -0.295 0.000 1.209 77 L HN 0.313 nan 8.230 nan 0.000 0.423 78 F N 6.439 126.512 119.950 0.206 0.000 2.443 78 F HA 0.742 5.268 4.527 -0.002 0.000 0.335 78 F C -0.874 174.941 175.800 0.024 0.000 1.104 78 F CA -1.007 57.065 58.000 0.120 0.000 1.013 78 F CB 0.951 39.951 39.000 0.000 0.000 1.136 78 F HN 0.369 nan 8.300 nan 0.000 0.470 79 I N 6.799 126.727 120.570 -1.070 0.000 2.656 79 I HA 0.309 4.477 4.170 -0.002 0.000 0.292 79 I C -1.791 173.763 176.117 -0.940 0.000 1.144 79 I CA -1.040 59.734 61.300 -0.876 0.000 1.038 79 I CB 2.263 40.039 38.000 -0.372 0.000 1.244 79 I HN 0.500 nan 8.210 nan 0.000 0.420 80 L N 5.128 125.937 121.223 -0.690 0.000 2.346 80 L HA 0.587 4.925 4.340 -0.002 0.000 0.276 80 L C -0.127 176.626 176.870 -0.196 0.000 1.006 80 L CA 0.158 54.801 54.840 -0.328 0.000 0.817 80 L CB 2.000 43.956 42.059 -0.171 0.000 1.272 80 L HN 0.496 nan 8.230 nan 0.000 0.421 81 T N 3.252 117.735 114.554 -0.118 0.000 2.913 81 T HA 0.409 4.757 4.350 -0.002 0.000 0.287 81 T C 1.318 175.932 174.700 -0.144 0.000 1.008 81 T CA 0.344 62.387 62.100 -0.095 0.000 1.067 81 T CB 1.541 70.390 68.868 -0.031 0.000 0.996 81 T HN 0.821 nan 8.240 nan 0.000 0.513 82 A N 2.770 125.511 122.820 -0.132 0.000 2.032 82 A HA -0.088 4.231 4.320 -0.002 0.000 0.221 82 A C 1.871 179.230 177.584 -0.374 0.000 1.165 82 A CA 1.642 53.560 52.037 -0.199 0.000 0.645 82 A CB -0.347 18.642 19.000 -0.019 0.000 0.807 82 A HN 0.703 nan 8.150 nan 0.000 0.453 83 K N -2.022 118.272 120.400 -0.178 0.000 2.446 83 K HA 0.284 4.602 4.320 -0.002 0.000 0.203 83 K C -0.805 175.834 176.600 0.064 0.000 1.027 83 K CA -0.259 55.976 56.287 -0.086 0.000 1.166 83 K CB -0.476 32.046 32.500 0.038 0.000 0.869 83 K HN 0.488 nan 8.250 nan 0.000 0.504 84 Y N -1.888 118.487 120.300 0.124 0.000 4.569 84 Y HA -0.300 4.248 4.550 -0.002 0.000 0.237 84 Y C -0.604 175.339 175.900 0.072 0.000 1.090 84 Y CA -0.054 58.098 58.100 0.086 0.000 2.052 84 Y CB -2.112 36.407 38.460 0.098 0.000 1.621 84 Y HN 0.226 nan 8.280 nan 0.000 0.682 85 N N 1.798 120.586 118.700 0.147 0.000 2.415 85 N HA 0.479 5.217 4.740 -0.002 0.000 0.250 85 N C 0.251 175.795 175.510 0.057 0.000 1.127 85 N CA 0.652 53.758 53.050 0.095 0.000 0.945 85 N CB 1.089 39.633 38.487 0.095 0.000 1.196 85 N HN 0.385 nan 8.380 nan 0.000 0.499 86 A N 1.741 124.619 122.820 0.096 0.000 2.316 86 A HA 0.632 4.951 4.320 -0.002 0.000 0.284 86 A C 0.427 178.108 177.584 0.161 0.000 1.115 86 A CA -0.482 51.645 52.037 0.151 0.000 0.812 86 A CB 0.351 19.515 19.000 0.273 0.000 1.064 86 A HN 0.837 nan 8.150 nan 0.000 0.489 87 C N 0.458 119.863 119.300 0.175 0.000 3.302 87 C HA 0.695 5.154 4.460 -0.002 0.000 0.347 87 C C -0.975 174.197 174.990 0.303 0.000 1.218 87 C CA -0.880 58.272 59.018 0.223 0.000 1.234 87 C CB -0.276 27.545 27.740 0.134 0.000 1.551 87 C HN 0.774 nan 8.230 nan 0.000 0.501 88 I N 2.345 123.108 120.570 0.322 0.000 2.404 88 I HA 0.600 4.768 4.170 -0.002 0.000 0.293 88 I C -0.421 175.844 176.117 0.247 0.000 0.992 88 I CA -0.535 60.981 61.300 0.360 0.000 1.149 88 I CB 1.567 39.781 38.000 0.356 0.000 1.315 88 I HN 0.585 nan 8.210 nan 0.000 0.446 89 L N 5.450 126.829 121.223 0.259 0.000 2.341 89 L HA 0.597 4.935 4.340 -0.002 0.000 0.267 89 L C -0.506 176.552 176.870 0.313 0.000 1.009 89 L CA -0.694 54.292 54.840 0.244 0.000 0.819 89 L CB 2.349 44.563 42.059 0.259 0.000 1.323 89 L HN 0.560 nan 8.230 nan 0.000 0.425 90 E N 0.612 120.936 120.200 0.207 0.000 2.248 90 E HA 0.261 4.610 4.350 -0.002 0.000 0.267 90 E C -1.881 174.670 176.600 -0.082 0.000 0.877 90 E CA -0.712 55.741 56.400 0.087 0.000 0.759 90 E CB 2.189 31.900 29.700 0.018 0.000 1.182 90 E HN 0.438 nan 8.360 nan 0.000 0.418 91 Y N 3.986 123.930 120.300 -0.594 0.000 2.404 91 Y HA 0.269 4.818 4.550 -0.002 0.000 0.344 91 Y C -0.711 174.983 175.900 -0.344 0.000 0.995 91 Y CA -0.010 57.706 58.100 -0.640 0.000 1.201 91 Y CB 0.626 38.414 38.460 -1.120 0.000 1.151 91 Y HN 0.335 nan 8.280 nan 0.000 0.517 92 K N 6.352 126.419 120.400 -0.554 0.000 2.502 92 K HA 0.292 4.610 4.320 -0.002 0.000 0.254 92 K C -1.608 174.698 176.600 -0.491 0.000 0.947 92 K CA -0.657 55.401 56.287 -0.381 0.000 0.834 92 K CB 0.907 33.270 32.500 -0.228 0.000 1.112 92 K HN 0.765 nan 8.250 nan 0.000 0.427 93 Q N 3.479 123.046 119.800 -0.388 0.000 2.269 93 Q HA 0.272 4.611 4.340 -0.002 0.000 0.263 93 Q C -1.147 174.746 176.000 -0.178 0.000 0.983 93 Q CA -0.377 55.236 55.803 -0.318 0.000 0.777 93 Q CB 1.754 30.281 28.738 -0.351 0.000 1.273 93 Q HN 0.761 nan 8.270 nan 0.000 0.440 94 S N 2.078 117.689 115.700 -0.149 0.000 3.186 94 S HA 0.336 4.805 4.470 -0.002 0.000 0.253 94 S C 0.826 175.368 174.600 -0.097 0.000 1.071 94 S CA 0.317 58.453 58.200 -0.106 0.000 0.796 94 S CB 0.160 63.302 63.200 -0.097 0.000 0.818 94 S HN 0.658 nan 8.310 nan 0.000 0.498 95 G N 1.418 110.154 108.800 -0.108 0.000 2.531 95 G HA2 0.296 4.254 3.960 -0.002 0.000 0.253 95 G HA3 0.296 4.254 3.960 -0.002 0.000 0.253 95 G C 0.514 175.349 174.900 -0.110 0.000 1.439 95 G CA -0.142 44.898 45.100 -0.101 0.000 1.056 95 G HN 0.210 nan 8.290 nan 0.000 0.555 96 E N -0.483 119.649 120.200 -0.114 0.000 2.160 96 E HA -0.088 4.260 4.350 -0.002 0.000 0.195 96 E C 1.435 177.955 176.600 -0.134 0.000 0.991 96 E CA 1.153 57.476 56.400 -0.128 0.000 0.810 96 E CB -0.241 29.377 29.700 -0.136 0.000 0.742 96 E HN 0.377 nan 8.360 nan 0.000 0.466 97 S N -0.667 114.953 115.700 -0.134 0.000 2.745 97 S HA 0.617 5.086 4.470 -0.002 0.000 0.292 97 S C -0.110 174.387 174.600 -0.172 0.000 1.133 97 S CA -0.930 57.185 58.200 -0.142 0.000 0.998 97 S CB 1.535 64.655 63.200 -0.133 0.000 1.087 97 S HN 0.048 nan 8.310 nan 0.000 0.551 98 I N 0.486 120.944 120.570 -0.188 0.000 2.647 98 I HA 0.567 4.736 4.170 -0.002 0.000 0.295 98 I C -1.001 174.960 176.117 -0.260 0.000 1.078 98 I CA -0.351 60.780 61.300 -0.282 0.000 1.048 98 I CB 2.239 40.092 38.000 -0.246 0.000 1.239 98 I HN 0.608 nan 8.210 nan 0.000 0.421 99 D N 5.309 125.501 120.400 -0.346 0.000 2.990 99 D HA 0.379 5.017 4.640 -0.002 0.000 0.227 99 D C -1.063 175.094 176.300 -0.240 0.000 1.249 99 D CA -0.227 53.632 54.000 -0.235 0.000 0.891 99 D CB 2.818 43.507 40.800 -0.186 0.000 1.647 99 D HN 0.212 nan 8.370 nan 0.000 0.530 100 I N 3.096 123.599 120.570 -0.111 0.000 2.269 100 I HA 0.241 4.409 4.170 -0.002 0.000 0.293 100 I C 0.519 176.623 176.117 -0.021 0.000 1.106 100 I CA -0.511 60.778 61.300 -0.019 0.000 1.248 100 I CB -0.036 38.002 38.000 0.064 0.000 1.444 100 I HN 0.312 nan 8.210 nan 0.000 0.497 101 I N 5.763 126.315 120.570 -0.029 0.000 2.612 101 I HA 0.281 4.450 4.170 -0.002 0.000 0.295 101 I C 0.386 176.510 176.117 0.010 0.000 1.011 101 I CA 0.505 61.787 61.300 -0.030 0.000 1.326 101 I CB 1.493 39.465 38.000 -0.048 0.000 1.427 101 I HN 0.414 nan 8.210 nan 0.000 0.537 102 T N 7.347 121.898 114.554 -0.004 0.000 3.145 102 T HA 0.316 4.664 4.350 -0.002 0.000 0.362 102 T C 1.226 175.947 174.700 0.034 0.000 1.340 102 T CA -0.428 61.680 62.100 0.014 0.000 1.069 102 T CB 0.201 69.040 68.868 -0.048 0.000 1.129 102 T HN 0.472 nan 8.240 nan 0.000 0.585 103 R N 1.639 122.184 120.500 0.075 0.000 2.081 103 R HA 0.115 4.453 4.340 -0.002 0.000 0.235 103 R C 0.959 177.323 176.300 0.107 0.000 1.131 103 R CA 0.645 56.792 56.100 0.079 0.000 0.960 103 R CB -0.251 30.107 30.300 0.096 0.000 0.856 103 R HN 0.633 nan 8.270 nan 0.000 0.436 104 A N 0.371 123.282 122.820 0.152 0.000 2.594 104 A HA 0.646 4.965 4.320 -0.002 0.000 0.291 104 A C -1.261 176.495 177.584 0.287 0.000 1.105 104 A CA -0.672 51.486 52.037 0.201 0.000 0.694 104 A CB 1.645 20.742 19.000 0.162 0.000 1.291 104 A HN 0.498 nan 8.150 nan 0.000 0.410 105 H N -0.910 118.202 119.070 0.070 0.000 3.094 105 H HA 0.699 5.253 4.556 -0.002 0.000 0.335 105 H C -0.776 174.578 175.328 0.043 0.000 1.254 105 H CA -0.427 55.659 56.048 0.064 0.000 1.240 105 H CB 0.932 30.720 29.762 0.044 0.000 1.936 105 H HN 2.005 nan 8.280 nan 0.000 0.536 106 G N 1.262 109.959 108.800 -0.172 0.000 2.519 106 G HA2 0.156 4.114 3.960 -0.002 0.000 0.292 106 G HA3 0.156 4.114 3.960 -0.002 0.000 0.292 106 G C -1.839 173.010 174.900 -0.085 0.000 1.507 106 G CA -0.984 43.979 45.100 -0.228 0.000 0.806 106 G HN 0.692 nan 8.290 nan 0.000 0.523 107 N N 0.587 119.228 118.700 -0.098 0.000 2.426 107 N HA 0.268 5.007 4.740 -0.002 0.000 0.257 107 N C 1.195 176.708 175.510 0.005 0.000 1.002 107 N CA -0.125 52.907 53.050 -0.030 0.000 0.942 107 N CB 1.817 40.251 38.487 -0.088 0.000 1.112 107 N HN 0.693 nan 8.380 nan 0.000 0.499 108 V N 1.423 121.374 119.914 0.061 0.000 3.647 108 V HA 0.167 4.285 4.120 -0.002 0.000 0.279 108 V C 0.991 177.071 176.094 -0.025 0.000 1.314 108 V CA -0.277 62.038 62.300 0.026 0.000 1.125 108 V CB -0.943 30.907 31.823 0.043 0.000 0.907 108 V HN 0.640 nan 8.190 nan 0.000 0.434 109 Q N 1.669 121.465 119.800 -0.008 0.000 2.485 109 Q HA -0.083 4.256 4.340 -0.002 0.000 0.348 109 Q C -0.595 175.355 176.000 -0.083 0.000 1.097 109 Q CA 1.022 56.732 55.803 -0.154 0.000 1.079 109 Q CB 0.214 28.978 28.738 0.043 0.000 1.108 109 Q HN 0.602 nan 8.270 nan 0.000 0.400 110 D N 3.150 123.513 120.400 -0.061 0.000 2.308 110 D HA 0.119 4.757 4.640 -0.002 0.000 0.242 110 D C 0.494 176.690 176.300 -0.173 0.000 1.059 110 D CA -0.377 53.574 54.000 -0.082 0.000 0.830 110 D CB 1.556 42.337 40.800 -0.030 0.000 1.161 110 D HN 0.540 nan 8.370 nan 0.000 0.494 111 R N 2.366 122.798 120.500 -0.113 0.000 2.134 111 R HA -0.175 4.164 4.340 -0.002 0.000 0.248 111 R C 1.259 177.464 176.300 -0.158 0.000 1.143 111 R CA 1.690 57.730 56.100 -0.100 0.000 0.957 111 R CB -0.400 29.861 30.300 -0.066 0.000 0.867 111 R HN 0.671 nan 8.270 nan 0.000 0.441 112 I N -3.991 116.450 120.570 -0.215 0.000 3.932 112 I HA 0.527 4.696 4.170 -0.002 0.000 0.256 112 I C 0.514 176.333 176.117 -0.498 0.000 1.408 112 I CA -0.598 60.551 61.300 -0.251 0.000 0.882 112 I CB 0.041 37.939 38.000 -0.169 0.000 1.657 112 I HN 0.280 nan 8.210 nan 0.000 0.733 113 G N 1.776 110.317 108.800 -0.431 0.000 3.277 113 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.684 113 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.684 113 G C -0.396 174.190 174.900 -0.523 0.000 0.923 113 G CA -0.178 44.567 45.100 -0.591 0.000 0.779 113 G HN 1.069 nan 8.290 nan 0.000 0.508 114 R N 2.743 123.165 120.500 -0.130 0.000 2.297 114 R HA 0.579 4.918 4.340 -0.002 0.000 0.308 114 R C -2.645 173.804 176.300 0.248 0.000 1.029 114 R CA -1.937 54.192 56.100 0.049 0.000 0.929 114 R CB 1.290 31.601 30.300 0.018 0.000 1.046 114 R HN 0.242 nan 8.270 nan 0.000 0.461 115 P HA -0.074 nan 4.420 nan 0.000 0.260 115 P C -0.526 176.849 177.300 0.126 0.000 1.185 115 P CA 0.479 63.725 63.100 0.243 0.000 0.763 115 P CB 0.585 32.396 31.700 0.186 0.000 0.776 116 S N 2.129 117.892 115.700 0.104 0.000 2.584 116 S HA 0.199 4.667 4.470 -0.002 0.000 0.273 116 S C 0.161 174.783 174.600 0.038 0.000 1.311 116 S CA -0.959 57.277 58.200 0.061 0.000 1.034 116 S CB 0.859 64.110 63.200 0.085 0.000 0.939 116 S HN 0.407 nan 8.310 nan 0.000 0.513 117 E N 0.950 121.142 120.200 -0.013 0.000 2.414 117 E HA 0.100 4.448 4.350 -0.002 0.000 0.263 117 E C 0.626 177.277 176.600 0.085 0.000 1.000 117 E CA 1.296 57.697 56.400 0.001 0.000 0.914 117 E CB 0.337 29.981 29.700 -0.094 0.000 0.948 117 E HN 1.132 nan 8.360 nan 0.000 0.444 118 T N -0.104 114.497 114.554 0.078 0.000 5.695 118 T HA -0.176 4.173 4.350 -0.002 0.000 0.271 118 T C 0.783 175.521 174.700 0.064 0.000 2.205 118 T CA 0.942 63.093 62.100 0.085 0.000 3.761 118 T CB -2.206 66.730 68.868 0.113 0.000 0.610 118 T HN 1.471 nan 8.240 nan 0.000 0.922 119 G N 1.920 110.756 108.800 0.059 0.000 2.641 119 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.254 119 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.254 119 G C -0.113 174.809 174.900 0.037 0.000 1.315 119 G CA -0.261 44.868 45.100 0.048 0.000 0.907 119 G HN 1.376 nan 8.290 nan 0.000 0.572 120 I N 0.739 121.324 120.570 0.024 0.000 2.618 120 I HA 0.264 4.433 4.170 -0.002 0.000 0.284 120 I C 0.729 176.857 176.117 0.019 0.000 1.146 120 I CA 0.526 61.834 61.300 0.013 0.000 1.425 120 I CB 0.191 38.192 38.000 0.001 0.000 1.383 120 I HN 0.312 nan 8.210 nan 0.000 0.562 121 I N 5.386 125.970 120.570 0.023 0.000 2.498 121 I HA 0.473 4.642 4.170 -0.002 0.000 0.290 121 I C 0.197 176.336 176.117 0.037 0.000 1.032 121 I CA -0.480 60.840 61.300 0.033 0.000 1.073 121 I CB 2.024 40.049 38.000 0.042 0.000 1.251 121 I HN 0.604 nan 8.210 nan 0.000 0.426 122 G N 7.636 116.471 108.800 0.058 0.000 2.675 122 G HA2 0.728 4.686 3.960 -0.002 0.000 0.297 122 G HA3 0.728 4.686 3.960 -0.002 0.000 0.297 122 G C -0.858 174.105 174.900 0.104 0.000 1.399 122 G CA -0.368 44.792 45.100 0.100 0.000 0.981 122 G HN 0.629 nan 8.290 nan 0.000 0.519 123 I N -0.444 120.177 120.570 0.085 0.000 2.785 123 I HA 0.734 4.902 4.170 -0.002 0.000 0.302 123 I C -1.040 175.219 176.117 0.237 0.000 1.069 123 I CA -1.605 59.772 61.300 0.128 0.000 1.045 123 I CB 2.696 40.720 38.000 0.040 0.000 1.236 123 I HN 0.187 nan 8.210 nan 0.000 0.429 124 I N 2.727 123.427 120.570 0.217 0.000 2.466 124 I HA 0.235 4.404 4.170 -0.002 0.000 0.289 124 I C -0.681 175.463 176.117 0.045 0.000 1.026 124 I CA -0.468 60.853 61.300 0.036 0.000 1.078 124 I CB 1.958 39.848 38.000 -0.183 0.000 1.249 124 I HN 0.721 nan 8.210 nan 0.000 0.429 125 D N 8.144 128.289 120.400 -0.425 0.000 2.472 125 D HA 0.043 4.681 4.640 -0.002 0.000 0.237 125 D C -1.739 174.438 176.300 -0.205 0.000 1.141 125 D CA -0.822 52.801 54.000 -0.627 0.000 0.875 125 D CB 1.208 41.476 40.800 -0.888 0.000 1.192 125 D HN 0.224 nan 8.370 nan 0.000 0.450 126 P HA -0.076 nan 4.420 nan 0.000 0.222 126 P C -0.232 177.119 177.300 0.084 0.000 1.147 126 P CA 1.019 64.139 63.100 0.034 0.000 0.790 126 P CB 0.117 31.862 31.700 0.074 0.000 0.780 127 E N -1.486 118.730 120.200 0.027 0.000 2.437 127 E HA 0.162 4.511 4.350 -0.002 0.000 0.195 127 E C -0.198 176.422 176.600 0.033 0.000 1.029 127 E CA -0.251 56.175 56.400 0.042 0.000 0.948 127 E CB -0.825 28.890 29.700 0.025 0.000 1.082 127 E HN 0.042 nan 8.360 nan 0.000 0.456 128 C N 1.255 120.578 119.300 0.038 0.000 3.886 128 C HA -0.176 4.283 4.460 -0.002 0.000 0.295 128 C C 1.780 176.771 174.990 0.001 0.000 1.411 128 C CA 0.866 59.927 59.018 0.073 0.000 2.059 128 C CB -2.189 25.720 27.740 0.282 0.000 1.329 128 C HN 0.564 nan 8.230 nan 0.000 0.670 129 R N 0.436 120.879 120.500 -0.094 0.000 2.173 129 R HA 0.222 4.561 4.340 -0.002 0.000 0.208 129 R C 0.895 177.131 176.300 -0.106 0.000 1.035 129 R CA 1.416 57.470 56.100 -0.077 0.000 1.004 129 R CB 0.154 30.403 30.300 -0.085 0.000 0.917 129 R HN 0.842 nan 8.270 nan 0.000 0.462 130 M N -1.883 117.593 119.600 -0.206 0.000 2.813 130 M HA 0.382 4.861 4.480 -0.002 0.000 0.270 130 M C -1.438 174.691 176.300 -0.284 0.000 1.267 130 M CA -0.971 54.205 55.300 -0.206 0.000 0.822 130 M CB 1.849 34.362 32.600 -0.145 0.000 1.671 130 M HN -0.240 nan 8.290 nan 0.000 0.468 131 I N 1.157 121.552 120.570 -0.292 0.000 2.377 131 I HA 0.577 4.745 4.170 -0.002 0.000 0.293 131 I C 0.160 176.162 176.117 -0.191 0.000 0.987 131 I CA -0.710 60.390 61.300 -0.333 0.000 1.185 131 I CB 2.035 39.661 38.000 -0.623 0.000 1.341 131 I HN 0.900 nan 8.210 nan 0.000 0.455 132 G N 7.049 115.858 108.800 0.016 0.000 2.415 132 G HA2 0.594 4.552 3.960 -0.002 0.000 0.317 132 G HA3 0.594 4.552 3.960 -0.002 0.000 0.317 132 G C -1.062 173.681 174.900 -0.260 0.000 1.152 132 G CA -0.291 44.747 45.100 -0.103 0.000 0.956 132 G HN 0.248 nan 8.290 nan 0.000 0.458 133 L N 2.693 123.608 121.223 -0.512 0.000 2.313 133 L HA 0.526 4.864 4.340 -0.002 0.000 0.283 133 L C 0.203 176.902 176.870 -0.284 0.000 1.013 133 L CA -0.853 53.814 54.840 -0.289 0.000 0.816 133 L CB 1.709 43.633 42.059 -0.226 0.000 1.236 133 L HN 0.366 nan 8.230 nan 0.000 0.419 134 R N 4.568 125.026 120.500 -0.071 0.000 2.239 134 R HA 0.420 4.759 4.340 -0.002 0.000 0.332 134 R C -0.058 176.204 176.300 -0.063 0.000 0.988 134 R CA -0.137 55.969 56.100 0.011 0.000 0.859 134 R CB 0.564 30.919 30.300 0.092 0.000 1.148 134 R HN 0.759 nan 8.270 nan 0.000 0.482 135 L N 3.334 124.451 121.223 -0.177 0.000 2.609 135 L HA 0.337 4.676 4.340 -0.002 0.000 0.230 135 L C -0.131 176.464 176.870 -0.459 0.000 1.064 135 L CA 0.119 54.724 54.840 -0.391 0.000 0.873 135 L CB 0.182 41.795 42.059 -0.744 0.000 1.139 135 L HN 0.386 nan 8.230 nan 0.000 0.490 136 Y N -0.501 119.819 120.300 0.033 0.000 2.512 136 Y HA 0.326 4.875 4.550 -0.002 0.000 0.348 136 Y C -0.352 175.564 175.900 0.027 0.000 0.990 136 Y CA -1.441 56.672 58.100 0.022 0.000 1.033 136 Y CB 1.351 39.801 38.460 -0.017 0.000 1.259 136 Y HN -0.154 nan 8.280 nan 0.000 0.461 137 D N 1.694 122.203 120.400 0.181 0.000 2.472 137 D HA 0.203 4.842 4.640 -0.002 0.000 0.248 137 D C 0.962 177.317 176.300 0.093 0.000 1.174 137 D CA 1.918 55.984 54.000 0.109 0.000 0.883 137 D CB 0.857 41.700 40.800 0.070 0.000 1.149 137 D HN 0.935 nan 8.370 nan 0.000 0.488 138 G N 2.271 111.115 108.800 0.074 0.000 2.137 138 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.237 138 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.237 138 G C 0.050 174.991 174.900 0.068 0.000 1.002 138 G CA -0.263 44.869 45.100 0.053 0.000 0.702 138 G HN 0.476 nan 8.290 nan 0.000 0.515 139 L N -1.108 120.178 121.223 0.105 0.000 2.526 139 L HA 0.646 4.985 4.340 -0.002 0.000 0.263 139 L C -1.217 175.759 176.870 0.176 0.000 0.943 139 L CA -1.033 53.881 54.840 0.123 0.000 0.859 139 L CB 2.079 44.219 42.059 0.135 0.000 1.313 139 L HN 0.083 nan 8.230 nan 0.000 0.406 140 F N 4.145 124.088 119.950 -0.012 0.000 2.430 140 F HA 0.411 4.937 4.527 -0.002 0.000 0.362 140 F C 0.048 175.779 175.800 -0.115 0.000 1.103 140 F CA -0.706 57.276 58.000 -0.030 0.000 1.045 140 F CB 1.066 40.123 39.000 0.095 0.000 1.276 140 F HN 0.274 nan 8.300 nan 0.000 0.444 141 K N 4.985 125.083 120.400 -0.502 0.000 2.322 141 K HA 0.538 4.857 4.320 -0.002 0.000 0.283 141 K C -1.316 174.816 176.600 -0.781 0.000 1.042 141 K CA -0.272 55.702 56.287 -0.522 0.000 0.958 141 K CB 0.818 33.116 32.500 -0.337 0.000 0.984 141 K HN 0.487 nan 8.250 nan 0.000 0.473 142 V N 6.357 125.756 119.914 -0.858 0.000 2.495 142 V HA 0.387 4.505 4.120 -0.002 0.000 0.298 142 V C -0.227 175.478 176.094 -0.648 0.000 1.031 142 V CA -0.815 60.985 62.300 -0.834 0.000 0.871 142 V CB 1.594 32.722 31.823 -1.158 0.000 0.988 142 V HN 0.673 nan 8.190 nan 0.000 0.432 143 I N 6.734 127.074 120.570 -0.383 0.000 2.354 143 I HA 0.368 4.536 4.170 -0.002 0.000 0.286 143 I C -2.512 173.518 176.117 -0.145 0.000 1.007 143 I CA -1.991 59.169 61.300 -0.233 0.000 1.167 143 I CB 2.170 40.021 38.000 -0.249 0.000 1.320 143 I HN 0.422 nan 8.210 nan 0.000 0.458 144 P HA 0.112 nan 4.420 nan 0.000 0.276 144 P C 0.040 177.331 177.300 -0.016 0.000 1.235 144 P CA -0.341 62.763 63.100 0.007 0.000 0.772 144 P CB 0.832 32.580 31.700 0.080 0.000 0.871 145 L N 2.029 123.242 121.223 -0.017 0.000 2.653 145 L HA 0.120 4.459 4.340 -0.002 0.000 0.231 145 L C 0.426 177.328 176.870 0.052 0.000 1.153 145 L CA 0.252 55.104 54.840 0.020 0.000 0.933 145 L CB -1.602 40.482 42.059 0.043 0.000 1.175 145 L HN 0.348 nan 8.230 nan 0.000 0.473 146 D N -1.949 118.472 120.400 0.036 0.000 2.383 146 D HA -0.142 4.497 4.640 -0.002 0.000 0.233 146 D C 1.416 177.741 176.300 0.042 0.000 1.233 146 D CA -0.194 53.828 54.000 0.036 0.000 0.881 146 D CB 0.637 41.453 40.800 0.026 0.000 1.212 146 D HN -0.233 nan 8.370 nan 0.000 0.467 147 R N 0.436 120.957 120.500 0.035 0.000 2.140 147 R HA -0.133 4.205 4.340 -0.002 0.000 0.250 147 R C 0.200 176.520 176.300 0.033 0.000 1.150 147 R CA 1.446 57.565 56.100 0.032 0.000 0.966 147 R CB -0.718 29.595 30.300 0.022 0.000 0.869 147 R HN 0.669 nan 8.270 nan 0.000 0.445 148 D N -0.954 119.464 120.400 0.029 0.000 2.446 148 D HA 0.019 4.658 4.640 -0.002 0.000 0.288 148 D C 0.387 176.707 176.300 0.034 0.000 1.195 148 D CA -0.521 53.497 54.000 0.029 0.000 1.095 148 D CB -0.234 40.579 40.800 0.022 0.000 1.153 148 D HN -0.074 nan 8.370 nan 0.000 0.568 149 N N -0.316 118.401 118.700 0.029 0.000 2.740 149 N HA -0.183 4.555 4.740 -0.002 0.000 0.248 149 N C 0.142 175.675 175.510 0.038 0.000 1.062 149 N CA 0.308 53.375 53.050 0.027 0.000 0.704 149 N CB -0.929 37.573 38.487 0.025 0.000 0.968 149 N HN 0.290 nan 8.380 nan 0.000 0.547 150 K N -0.049 120.380 120.400 0.048 0.000 2.442 150 K HA -0.054 4.265 4.320 -0.002 0.000 0.198 150 K C 0.716 177.361 176.600 0.076 0.000 1.042 150 K CA 1.004 57.337 56.287 0.075 0.000 0.958 150 K CB 0.076 32.625 32.500 0.081 0.000 0.766 150 K HN 0.520 nan 8.250 nan 0.000 0.474 151 E N 0.534 120.748 120.200 0.023 0.000 2.474 151 E HA 0.076 4.425 4.350 -0.002 0.000 0.195 151 E C -0.195 176.374 176.600 -0.051 0.000 1.039 151 E CA -0.090 56.283 56.400 -0.045 0.000 0.881 151 E CB 0.114 29.784 29.700 -0.050 0.000 0.970 151 E HN 0.180 nan 8.360 nan 0.000 0.486 152 L N 1.448 122.667 121.223 -0.007 0.000 3.829 152 L HA -0.283 4.055 4.340 -0.002 0.000 0.440 152 L C -0.360 176.492 176.870 -0.029 0.000 1.192 152 L CA 0.640 55.472 54.840 -0.013 0.000 0.848 152 L CB -1.748 40.316 42.059 0.009 0.000 1.744 152 L HN 0.116 nan 8.230 nan 0.000 0.920 153 K N 0.816 121.204 120.400 -0.019 0.000 2.453 153 K HA 0.465 4.783 4.320 -0.002 0.000 0.280 153 K C 0.702 177.304 176.600 0.004 0.000 1.045 153 K CA 0.523 56.806 56.287 -0.007 0.000 1.059 153 K CB 0.728 33.232 32.500 0.007 0.000 0.901 153 K HN 0.393 nan 8.250 nan 0.000 0.475 154 A N 3.368 126.178 122.820 -0.016 0.000 2.284 154 A HA 0.827 5.146 4.320 -0.002 0.000 0.317 154 A C -0.650 176.957 177.584 0.038 0.000 1.120 154 A CA -0.793 51.202 52.037 -0.069 0.000 0.900 154 A CB 0.544 19.451 19.000 -0.156 0.000 1.319 154 A HN 0.672 nan 8.150 nan 0.000 0.494 155 F N -1.667 118.235 119.950 -0.080 0.000 2.626 155 F HA 0.640 5.166 4.527 -0.002 0.000 0.311 155 F C -0.797 174.950 175.800 -0.088 0.000 1.088 155 F CA -1.091 56.863 58.000 -0.076 0.000 0.949 155 F CB 1.208 40.163 39.000 -0.074 0.000 1.322 155 F HN 0.529 nan 8.300 nan 0.000 0.461 156 N N 1.270 120.007 118.700 0.062 0.000 2.443 156 N HA 0.696 5.434 4.740 -0.002 0.000 0.295 156 N C -1.399 174.150 175.510 0.065 0.000 1.076 156 N CA -0.795 52.242 53.050 -0.023 0.000 0.919 156 N CB 2.192 40.673 38.487 -0.009 0.000 1.176 156 N HN 0.473 nan 8.380 nan 0.000 0.487 157 I N 1.055 121.608 120.570 -0.029 0.000 2.474 157 I HA 0.334 4.503 4.170 -0.002 0.000 0.294 157 I C 0.308 176.369 176.117 -0.093 0.000 1.005 157 I CA -0.803 60.407 61.300 -0.151 0.000 1.113 157 I CB 1.828 39.499 38.000 -0.548 0.000 1.289 157 I HN 0.332 nan 8.210 nan 0.000 0.436 158 R N 5.195 125.634 120.500 -0.101 0.000 2.490 158 R HA 0.459 4.797 4.340 -0.002 0.000 0.280 158 R C -1.222 175.107 176.300 0.047 0.000 1.077 158 R CA -0.365 55.724 56.100 -0.019 0.000 1.065 158 R CB 0.826 31.110 30.300 -0.028 0.000 1.003 158 R HN 0.588 nan 8.270 nan 0.000 0.470 159 L N 3.624 124.889 121.223 0.069 0.000 2.316 159 L HA 0.178 4.516 4.340 -0.002 0.000 0.280 159 L C 0.764 177.639 176.870 0.008 0.000 1.006 159 L CA -0.252 54.625 54.840 0.061 0.000 0.836 159 L CB 1.622 43.694 42.059 0.022 0.000 1.221 159 L HN 0.740 nan 8.230 nan 0.000 0.418 160 E N 1.939 122.143 120.200 0.007 0.000 2.204 160 E HA -0.161 4.187 4.350 -0.002 0.000 0.195 160 E C -0.088 176.484 176.600 -0.047 0.000 0.990 160 E CA 1.111 57.507 56.400 -0.006 0.000 0.821 160 E CB 0.259 29.967 29.700 0.014 0.000 0.750 160 E HN 0.508 nan 8.360 nan 0.000 0.477 161 E N 0.344 120.488 120.200 -0.093 0.000 1.932 161 E HA 0.059 4.408 4.350 -0.002 0.000 0.275 161 E C 1.027 177.618 176.600 -0.015 0.000 1.159 161 E CA -0.027 56.283 56.400 -0.149 0.000 0.905 161 E CB 0.147 29.653 29.700 -0.322 0.000 1.059 161 E HN 0.319 nan 8.360 nan 0.000 0.400 162 L N 0.606 121.849 121.223 0.032 0.000 2.137 162 L HA -0.146 4.193 4.340 -0.002 0.000 0.213 162 L C 0.987 177.952 176.870 0.159 0.000 1.085 162 L CA 1.572 56.459 54.840 0.080 0.000 0.760 162 L CB -0.390 41.714 42.059 0.075 0.000 0.893 162 L HN 0.486 nan 8.230 nan 0.000 0.434 163 H N 0.339 119.465 119.070 0.094 0.000 2.854 163 H HA 0.533 5.088 4.556 -0.002 0.000 0.275 163 H C -1.291 174.140 175.328 0.171 0.000 1.198 163 H CA -0.962 55.156 56.048 0.117 0.000 1.489 163 H CB 1.032 30.862 29.762 0.114 0.000 1.519 163 H HN -0.011 nan 8.280 nan 0.000 0.503 164 V N 6.115 126.215 119.914 0.310 0.000 2.546 164 V HA 0.013 4.132 4.120 -0.002 0.000 0.284 164 V C 0.829 177.030 176.094 0.178 0.000 1.050 164 V CA -0.025 62.411 62.300 0.228 0.000 0.981 164 V CB 1.274 33.160 31.823 0.106 0.000 0.990 164 V HN 0.728 nan 8.190 nan 0.000 0.474 165 I N 2.224 122.851 120.570 0.097 0.000 2.556 165 I HA 0.208 4.377 4.170 -0.002 0.000 0.251 165 I C 0.565 176.726 176.117 0.073 0.000 1.105 165 I CA 1.149 62.477 61.300 0.046 0.000 1.436 165 I CB 0.205 38.181 38.000 -0.040 0.000 1.139 165 I HN 0.748 nan 8.210 nan 0.000 0.438 166 D N -1.620 118.830 120.400 0.083 0.000 2.623 166 D HA 0.601 5.240 4.640 -0.002 0.000 0.241 166 D C -1.578 174.768 176.300 0.078 0.000 1.241 166 D CA -0.157 53.885 54.000 0.070 0.000 0.788 166 D CB 2.154 42.986 40.800 0.053 0.000 1.413 166 D HN -0.242 nan 8.370 nan 0.000 0.429 167 V N 1.107 121.043 119.914 0.038 0.000 2.891 167 V HA 0.638 4.757 4.120 -0.002 0.000 0.304 167 V C -0.803 175.248 176.094 -0.071 0.000 1.171 167 V CA -0.925 61.367 62.300 -0.013 0.000 0.943 167 V CB 2.103 33.880 31.823 -0.077 0.000 1.037 167 V HN 0.463 nan 8.190 nan 0.000 0.427 168 K N 2.455 122.782 120.400 -0.123 0.000 2.502 168 K HA 0.620 4.938 4.320 -0.002 0.000 0.257 168 K C -1.401 175.057 176.600 -0.237 0.000 0.938 168 K CA -0.654 55.544 56.287 -0.148 0.000 0.819 168 K CB 2.941 35.430 32.500 -0.019 0.000 1.333 168 K HN 0.505 nan 8.250 nan 0.000 0.434 169 F N 1.752 121.683 119.950 -0.032 0.000 2.518 169 F HA 0.142 4.667 4.527 -0.002 0.000 0.359 169 F C 1.054 176.773 175.800 -0.136 0.000 1.118 169 F CA -0.405 57.552 58.000 -0.072 0.000 1.287 169 F CB 0.381 39.333 39.000 -0.079 0.000 1.132 169 F HN 0.118 nan 8.300 nan 0.000 0.587 170 L N 2.887 124.167 121.223 0.094 0.000 2.421 170 L HA 0.284 4.622 4.340 -0.002 0.000 0.263 170 L C -0.503 176.405 176.870 0.063 0.000 1.122 170 L CA -0.641 54.238 54.840 0.064 0.000 0.804 170 L CB 0.761 42.854 42.059 0.056 0.000 1.150 170 L HN 0.528 nan 8.230 nan 0.000 0.457 171 Y N -0.628 119.781 120.300 0.182 0.000 2.376 171 Y HA 0.365 4.913 4.550 -0.002 0.000 0.325 171 Y C 1.127 177.123 175.900 0.160 0.000 1.199 171 Y CA 0.233 58.435 58.100 0.169 0.000 1.206 171 Y CB 1.701 40.270 38.460 0.182 0.000 1.229 171 Y HN 0.742 nan 8.280 nan 0.000 0.480 172 G N 0.921 109.928 108.800 0.345 0.000 2.221 172 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.265 172 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.265 172 G C -0.621 174.385 174.900 0.178 0.000 1.041 172 G CA -0.107 45.129 45.100 0.227 0.000 0.807 172 G HN 0.622 nan 8.290 nan 0.000 0.502 173 C N -0.549 118.842 119.300 0.152 0.000 2.391 173 C HA 0.525 4.984 4.460 -0.002 0.000 0.339 173 C C 1.305 176.348 174.990 0.088 0.000 1.205 173 C CA -0.499 58.587 59.018 0.114 0.000 1.937 173 C CB 1.681 29.476 27.740 0.091 0.000 2.341 173 C HN 0.616 nan 8.230 nan 0.000 0.516 174 Q N 1.183 121.028 119.800 0.077 0.000 2.247 174 Q HA 0.446 4.784 4.340 -0.002 0.000 0.234 174 Q C 0.086 176.117 176.000 0.052 0.000 0.899 174 Q CA 0.106 55.946 55.803 0.061 0.000 0.951 174 Q CB 0.128 28.901 28.738 0.058 0.000 1.057 174 Q HN 0.781 nan 8.270 nan 0.000 0.444 175 A N 0.210 123.061 122.820 0.052 0.000 2.588 175 A HA 0.276 4.595 4.320 -0.002 0.000 0.305 175 A C -2.936 174.681 177.584 0.054 0.000 0.991 175 A CA -1.255 50.811 52.037 0.049 0.000 0.784 175 A CB 0.262 19.295 19.000 0.055 0.000 1.189 175 A HN -0.043 nan 8.150 nan 0.000 0.390 176 P HA 0.095 nan 4.420 nan 0.000 0.252 176 P C -0.216 177.173 177.300 0.149 0.000 1.147 176 P CA 1.356 64.494 63.100 0.064 0.000 0.779 176 P CB 0.170 31.912 31.700 0.071 0.000 0.733 177 T N 4.587 119.240 114.554 0.165 0.000 2.841 177 T HA 0.603 4.952 4.350 -0.002 0.000 0.283 177 T C -0.222 174.569 174.700 0.152 0.000 1.000 177 T CA -0.388 61.767 62.100 0.091 0.000 0.977 177 T CB 1.125 69.974 68.868 -0.032 0.000 0.979 177 T HN 0.151 nan 8.240 nan 0.000 0.446 178 I N 1.955 122.540 120.570 0.025 0.000 2.530 178 I HA 0.680 4.849 4.170 -0.002 0.000 0.297 178 I C -0.837 175.182 176.117 -0.162 0.000 1.011 178 I CA -0.526 60.708 61.300 -0.110 0.000 1.107 178 I CB 1.076 38.929 38.000 -0.244 0.000 1.285 178 I HN 0.791 nan 8.210 nan 0.000 0.436 179 C N 8.237 127.453 119.300 -0.140 0.000 2.396 179 C HA 0.821 5.280 4.460 -0.002 0.000 0.321 179 C C -0.912 174.056 174.990 -0.037 0.000 1.233 179 C CA -0.591 58.334 59.018 -0.155 0.000 1.440 179 C CB -0.107 27.558 27.740 -0.125 0.000 2.110 179 C HN 0.685 nan 8.230 nan 0.000 0.473 180 F N 3.863 123.690 119.950 -0.204 0.000 2.626 180 F HA 0.834 5.360 4.527 -0.002 0.000 0.311 180 F C -1.592 174.158 175.800 -0.083 0.000 1.088 180 F CA -1.151 56.767 58.000 -0.138 0.000 0.949 180 F CB 1.372 40.281 39.000 -0.151 0.000 1.322 180 F HN 0.264 nan 8.300 nan 0.000 0.461 181 V N 3.545 123.467 119.914 0.014 0.000 2.326 181 V HA 0.370 4.489 4.120 -0.002 0.000 0.281 181 V C -0.989 175.140 176.094 0.059 0.000 1.015 181 V CA -0.631 61.603 62.300 -0.109 0.000 0.823 181 V CB 0.628 32.389 31.823 -0.103 0.000 1.009 181 V HN 0.800 nan 8.190 nan 0.000 0.436 182 Y N 2.388 122.675 120.300 -0.022 0.000 2.602 182 Y HA 0.817 5.366 4.550 -0.002 0.000 0.330 182 Y C -0.171 175.707 175.900 -0.036 0.000 1.114 182 Y CA -1.312 56.824 58.100 0.061 0.000 1.182 182 Y CB 1.231 39.821 38.460 0.217 0.000 1.305 182 Y HN 0.473 nan 8.280 nan 0.000 0.502 183 Q N 1.633 121.522 119.800 0.148 0.000 2.353 183 Q HA 0.385 4.724 4.340 -0.002 0.000 0.268 183 Q C -1.805 174.348 176.000 0.255 0.000 1.045 183 Q CA -0.813 55.033 55.803 0.070 0.000 0.811 183 Q CB 1.893 30.526 28.738 -0.175 0.000 1.305 183 Q HN 0.965 nan 8.270 nan 0.000 0.447 184 D N 2.311 122.843 120.400 0.219 0.000 2.664 184 D HA 0.492 5.130 4.640 -0.002 0.000 0.292 184 D C -2.685 173.702 176.300 0.146 0.000 1.214 184 D CA -1.696 52.416 54.000 0.188 0.000 0.932 184 D CB 0.935 41.849 40.800 0.189 0.000 1.420 184 D HN 0.232 nan 8.370 nan 0.000 0.471 185 P HA 0.038 nan 4.420 nan 0.000 0.273 185 P C -0.384 176.983 177.300 0.111 0.000 1.252 185 P CA 0.631 63.785 63.100 0.091 0.000 0.809 185 P CB 0.060 31.802 31.700 0.071 0.000 1.017 186 Q N -2.226 117.621 119.800 0.078 0.000 2.429 186 Q HA -0.154 4.184 4.340 -0.002 0.000 0.232 186 Q C 0.762 176.783 176.000 0.036 0.000 0.724 186 Q CA 0.737 56.587 55.803 0.078 0.000 1.287 186 Q CB -2.499 26.331 28.738 0.152 0.000 1.429 186 Q HN 0.944 nan 8.270 nan 0.000 0.721 187 G N 0.555 109.367 108.800 0.021 0.000 2.642 187 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.231 187 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.231 187 G C -0.447 174.439 174.900 -0.024 0.000 1.338 187 G CA -0.083 44.987 45.100 -0.049 0.000 0.883 187 G HN 0.523 nan 8.290 nan 0.000 0.570 188 R N -0.415 120.002 120.500 -0.138 0.000 2.832 188 R HA 0.885 5.223 4.340 -0.002 0.000 0.271 188 R C -0.057 176.057 176.300 -0.310 0.000 0.996 188 R CA -1.013 55.014 56.100 -0.122 0.000 0.977 188 R CB 1.621 31.824 30.300 -0.162 0.000 1.168 188 R HN 0.851 nan 8.270 nan 0.000 0.482 189 H N -0.853 117.847 119.070 -0.617 0.000 2.943 189 H HA 0.509 5.064 4.556 -0.002 0.000 0.323 189 H C -1.416 173.503 175.328 -0.681 0.000 1.296 189 H CA -1.294 54.386 56.048 -0.612 0.000 1.155 189 H CB 2.410 31.767 29.762 -0.675 0.000 1.882 189 H HN 0.305 nan 8.280 nan 0.000 0.553 190 V N 1.668 121.350 119.914 -0.387 0.000 2.447 190 V HA 0.315 4.433 4.120 -0.002 0.000 0.292 190 V C -0.680 175.163 176.094 -0.417 0.000 1.021 190 V CA -0.365 61.676 62.300 -0.431 0.000 0.850 190 V CB 1.163 32.751 31.823 -0.392 0.000 1.005 190 V HN 0.637 nan 8.190 nan 0.000 0.426 191 K N 3.892 123.902 120.400 -0.650 0.000 2.306 191 K HA 0.763 5.081 4.320 -0.002 0.000 0.236 191 K C -0.870 175.262 176.600 -0.780 0.000 1.013 191 K CA -0.488 55.416 56.287 -0.639 0.000 0.857 191 K CB 2.490 34.633 32.500 -0.595 0.000 1.214 191 K HN 0.652 nan 8.250 nan 0.000 0.449 192 T N 1.034 115.162 114.554 -0.711 0.000 2.893 192 T HA 0.507 4.856 4.350 -0.002 0.000 0.291 192 T C -1.542 172.749 174.700 -0.682 0.000 1.028 192 T CA -0.469 61.242 62.100 -0.648 0.000 0.995 192 T CB 0.742 69.182 68.868 -0.713 0.000 1.051 192 T HN 0.439 nan 8.240 nan 0.000 0.470 193 Y N 0.242 120.388 120.300 -0.257 0.000 2.534 193 Y HA 0.429 4.978 4.550 -0.002 0.000 0.345 193 Y C 0.382 176.214 175.900 -0.114 0.000 1.031 193 Y CA -1.256 56.702 58.100 -0.236 0.000 1.022 193 Y CB 1.917 40.025 38.460 -0.587 0.000 1.292 193 Y HN 0.539 nan 8.280 nan 0.000 0.459 194 E N 1.034 121.345 120.200 0.184 0.000 2.319 194 E HA 0.484 4.832 4.350 -0.002 0.000 0.268 194 E C -1.309 175.475 176.600 0.307 0.000 1.050 194 E CA -0.758 55.749 56.400 0.179 0.000 0.878 194 E CB 1.966 31.740 29.700 0.123 0.000 1.066 194 E HN 0.205 nan 8.360 nan 0.000 0.406 195 V N 2.232 122.317 119.914 0.285 0.000 2.350 195 V HA 0.121 4.240 4.120 -0.002 0.000 0.285 195 V C -0.358 175.862 176.094 0.211 0.000 1.014 195 V CA -0.338 62.163 62.300 0.335 0.000 0.831 195 V CB 1.541 33.624 31.823 0.434 0.000 1.000 195 V HN 0.555 nan 8.190 nan 0.000 0.433 196 S N 6.005 121.799 115.700 0.156 0.000 2.399 196 S HA 0.369 4.838 4.470 -0.002 0.000 0.301 196 S C 0.685 175.327 174.600 0.070 0.000 1.093 196 S CA -0.693 57.556 58.200 0.082 0.000 1.077 196 S CB 0.336 63.552 63.200 0.027 0.000 0.980 196 S HN 0.719 nan 8.310 nan 0.000 0.494 197 L N 3.634 124.909 121.223 0.085 0.000 2.685 197 L HA 0.556 4.894 4.340 -0.002 0.000 0.233 197 L C 1.487 178.318 176.870 -0.066 0.000 1.173 197 L CA -0.100 54.770 54.840 0.051 0.000 0.961 197 L CB -0.173 42.003 42.059 0.195 0.000 1.217 197 L HN 0.524 nan 8.230 nan 0.000 0.478 198 R N 1.998 122.462 120.500 -0.061 0.000 2.300 198 R HA 0.028 4.366 4.340 -0.002 0.000 0.199 198 R C 0.965 177.190 176.300 -0.126 0.000 0.920 198 R CA 1.284 57.340 56.100 -0.073 0.000 1.046 198 R CB 0.246 30.526 30.300 -0.035 0.000 0.984 198 R HN 0.792 nan 8.270 nan 0.000 0.493 199 E N -0.725 119.368 120.200 -0.178 0.000 2.597 199 E HA 0.020 4.369 4.350 -0.002 0.000 0.150 199 E C -1.143 175.291 176.600 -0.277 0.000 0.871 199 E CA -0.486 55.790 56.400 -0.206 0.000 1.364 199 E CB -0.133 29.494 29.700 -0.121 0.000 1.061 199 E HN 0.127 nan 8.360 nan 0.000 0.514 200 K N 1.473 121.631 120.400 -0.404 0.000 4.868 200 K HA -0.214 4.105 4.320 -0.002 0.000 0.314 200 K C -0.868 175.635 176.600 -0.162 0.000 0.932 200 K CA 1.353 57.412 56.287 -0.381 0.000 0.998 200 K CB -1.390 30.734 32.500 -0.626 0.000 1.704 200 K HN 0.482 nan 8.250 nan 0.000 0.426 201 E N 0.105 120.226 120.200 -0.132 0.000 2.447 201 E HA 0.435 4.784 4.350 -0.002 0.000 0.279 201 E C -0.743 175.710 176.600 -0.246 0.000 1.053 201 E CA -0.997 55.280 56.400 -0.205 0.000 0.840 201 E CB 1.188 30.831 29.700 -0.094 0.000 1.409 201 E HN 0.115 nan 8.360 nan 0.000 0.461 202 F N 0.705 120.602 119.950 -0.089 0.000 2.403 202 F HA 0.369 4.895 4.527 -0.002 0.000 0.326 202 F C 1.481 177.262 175.800 -0.030 0.000 1.081 202 F CA -0.537 57.391 58.000 -0.121 0.000 1.041 202 F CB 1.028 39.724 39.000 -0.506 0.000 1.234 202 F HN 0.302 nan 8.300 nan 0.000 0.503 203 N N 0.767 119.620 118.700 0.254 0.000 2.604 203 N HA 0.210 4.949 4.740 -0.002 0.000 0.234 203 N C -0.768 174.852 175.510 0.184 0.000 1.064 203 N CA 0.207 53.352 53.050 0.160 0.000 1.202 203 N CB 0.443 39.000 38.487 0.116 0.000 1.575 203 N HN 0.395 nan 8.380 nan 0.000 0.619 204 K N 0.013 120.512 120.400 0.166 0.000 2.600 204 K HA 0.281 4.599 4.320 -0.002 0.000 0.262 204 K C -1.034 175.587 176.600 0.035 0.000 0.935 204 K CA -0.358 56.000 56.287 0.118 0.000 0.866 204 K CB 1.775 34.324 32.500 0.081 0.000 1.354 204 K HN 0.262 nan 8.250 nan 0.000 0.419 205 G N 2.676 111.440 108.800 -0.059 0.000 2.544 205 G HA2 0.183 4.142 3.960 -0.002 0.000 0.242 205 G HA3 0.183 4.142 3.960 -0.002 0.000 0.242 205 G C -1.801 173.018 174.900 -0.134 0.000 1.247 205 G CA -0.953 44.030 45.100 -0.195 0.000 0.840 205 G HN 0.373 nan 8.290 nan 0.000 0.578 206 P HA 0.048 nan 4.420 nan 0.000 0.234 206 P C -0.732 176.664 177.300 0.160 0.000 1.162 206 P CA 0.870 63.954 63.100 -0.026 0.000 0.759 206 P CB -0.143 31.532 31.700 -0.042 0.000 0.813 207 W N -3.219 118.068 121.300 -0.022 0.000 3.189 207 W HA 0.376 5.035 4.660 -0.002 0.000 0.314 207 W C -1.166 175.314 176.519 -0.066 0.000 1.204 207 W CA -1.311 56.016 57.345 -0.030 0.000 1.171 207 W CB 0.162 29.611 29.460 -0.018 0.000 1.394 207 W HN -0.546 nan 8.180 nan 0.000 0.568 208 K N 1.338 121.926 120.400 0.314 0.000 2.244 208 K HA 0.082 4.400 4.320 -0.002 0.000 0.242 208 K C -0.499 176.180 176.600 0.132 0.000 1.082 208 K CA -0.367 56.005 56.287 0.140 0.000 0.841 208 K CB 0.231 32.786 32.500 0.090 0.000 1.129 208 K HN 0.725 nan 8.250 nan 0.000 0.516 209 Q N 1.180 121.000 119.800 0.032 0.000 2.325 209 Q HA 0.113 4.452 4.340 -0.002 0.000 0.262 209 Q C -0.944 175.051 176.000 -0.009 0.000 0.968 209 Q CA -0.360 55.431 55.803 -0.020 0.000 0.877 209 Q CB 1.059 29.776 28.738 -0.036 0.000 1.253 209 Q HN 0.259 nan 8.270 nan 0.000 0.448 210 E N 2.293 122.461 120.200 -0.053 0.000 2.249 210 E HA 0.386 4.735 4.350 -0.002 0.000 0.263 210 E C -0.733 175.782 176.600 -0.142 0.000 0.950 210 E CA -0.854 55.492 56.400 -0.089 0.000 0.827 210 E CB 1.210 30.855 29.700 -0.090 0.000 1.220 210 E HN 0.606 nan 8.360 nan 0.000 0.411 211 N N -0.119 118.467 118.700 -0.189 0.000 2.408 211 N HA 0.438 5.176 4.740 -0.002 0.000 0.260 211 N C -0.106 175.271 175.510 -0.223 0.000 1.242 211 N CA -0.355 52.499 53.050 -0.327 0.000 0.959 211 N CB 0.859 39.122 38.487 -0.374 0.000 1.201 211 N HN 0.300 nan 8.380 nan 0.000 0.511 212 V N -3.530 116.240 119.914 -0.241 0.000 3.206 212 V HA 0.458 4.576 4.120 -0.002 0.000 0.305 212 V C -0.108 175.907 176.094 -0.132 0.000 1.257 212 V CA -1.149 61.074 62.300 -0.128 0.000 1.057 212 V CB 1.661 33.405 31.823 -0.131 0.000 1.075 212 V HN 0.672 nan 8.190 nan 0.000 0.443 213 E N 0.781 120.937 120.200 -0.074 0.000 2.442 213 E HA 0.232 4.581 4.350 -0.002 0.000 0.262 213 E C 1.403 177.951 176.600 -0.087 0.000 1.004 213 E CA 0.482 56.841 56.400 -0.070 0.000 0.928 213 E CB 1.636 31.309 29.700 -0.045 0.000 0.937 213 E HN 1.140 nan 8.360 nan 0.000 0.446 214 A N 5.069 127.841 122.820 -0.080 0.000 2.093 214 A HA -0.197 4.122 4.320 -0.002 0.000 0.222 214 A C 1.227 178.776 177.584 -0.057 0.000 1.162 214 A CA 1.554 53.549 52.037 -0.071 0.000 0.655 214 A CB -0.122 18.849 19.000 -0.049 0.000 0.805 214 A HN 0.670 nan 8.150 nan 0.000 0.461 215 E N -0.633 119.537 120.200 -0.050 0.000 2.558 215 E HA 0.350 4.698 4.350 -0.002 0.000 0.205 215 E C 0.334 176.909 176.600 -0.042 0.000 1.006 215 E CA 0.347 56.724 56.400 -0.038 0.000 0.961 215 E CB -0.105 29.579 29.700 -0.028 0.000 1.044 215 E HN 0.534 nan 8.360 nan 0.000 0.465 216 A N 1.816 124.602 122.820 -0.057 0.000 2.580 216 A HA 0.082 4.401 4.320 -0.002 0.000 0.244 216 A C 1.183 178.739 177.584 -0.047 0.000 1.045 216 A CA 1.034 53.038 52.037 -0.056 0.000 0.761 216 A CB 0.017 18.970 19.000 -0.080 0.000 0.962 216 A HN 0.204 nan 8.150 nan 0.000 0.512 217 S N 1.213 116.897 115.700 -0.028 0.000 2.820 217 S HA 0.437 4.905 4.470 -0.002 0.000 0.265 217 S C 0.012 174.620 174.600 0.014 0.000 1.043 217 S CA -0.210 57.986 58.200 -0.007 0.000 1.245 217 S CB -0.177 63.025 63.200 0.003 0.000 1.187 217 S HN 0.636 nan 8.310 nan 0.000 0.673 218 M N 1.884 121.487 119.600 0.006 0.000 2.324 218 M HA 0.529 5.008 4.480 -0.002 0.000 0.288 218 M C -1.797 174.498 176.300 -0.008 0.000 1.097 218 M CA -0.454 54.864 55.300 0.031 0.000 0.928 218 M CB 2.728 35.370 32.600 0.070 0.000 1.648 218 M HN -0.010 nan 8.290 nan 0.000 0.460 219 V N 4.401 124.318 119.914 0.006 0.000 2.513 219 V HA 0.610 4.729 4.120 -0.002 0.000 0.299 219 V C -0.592 175.475 176.094 -0.044 0.000 1.035 219 V CA -0.524 61.761 62.300 -0.025 0.000 0.889 219 V CB 2.128 33.949 31.823 -0.005 0.000 0.988 219 V HN 0.701 nan 8.190 nan 0.000 0.440 220 I N 3.617 124.116 120.570 -0.118 0.000 2.478 220 I HA 0.586 4.755 4.170 -0.002 0.000 0.287 220 I C 0.259 176.356 176.117 -0.034 0.000 1.042 220 I CA -0.675 60.511 61.300 -0.189 0.000 1.067 220 I CB 1.921 39.611 38.000 -0.516 0.000 1.233 220 I HN 0.661 nan 8.210 nan 0.000 0.431 221 A N 6.994 129.866 122.820 0.088 0.000 2.347 221 A HA 0.582 4.900 4.320 -0.002 0.000 0.287 221 A C -0.175 177.692 177.584 0.471 0.000 1.199 221 A CA -0.290 51.894 52.037 0.245 0.000 0.851 221 A CB 0.138 19.231 19.000 0.155 0.000 1.118 221 A HN 0.476 nan 8.150 nan 0.000 0.525 222 V N 5.163 125.341 119.914 0.440 0.000 2.439 222 V HA 0.270 4.389 4.120 -0.002 0.000 0.282 222 V C -2.148 174.139 176.094 0.322 0.000 1.039 222 V CA -1.741 60.819 62.300 0.434 0.000 0.913 222 V CB 1.215 33.288 31.823 0.417 0.000 0.983 222 V HN 0.726 nan 8.190 nan 0.000 0.460 223 P HA 0.050 nan 4.420 nan 0.000 0.270 223 P C 1.102 178.308 177.300 -0.157 0.000 1.227 223 P CA -0.090 62.669 63.100 -0.569 0.000 0.788 223 P CB 0.546 31.972 31.700 -0.456 0.000 0.926 224 E N 1.901 121.992 120.200 -0.182 0.000 2.200 224 E HA -0.224 4.124 4.350 -0.002 0.000 0.211 224 E C -0.673 175.884 176.600 -0.072 0.000 1.048 224 E CA 2.185 58.566 56.400 -0.030 0.000 0.851 224 E CB -1.997 27.690 29.700 -0.023 0.000 0.747 224 E HN 0.511 nan 8.360 nan 0.000 0.462 225 P HA -0.062 nan 4.420 nan 0.000 0.236 225 P C 0.472 177.423 177.300 -0.581 0.000 1.172 225 P CA 1.139 63.986 63.100 -0.421 0.000 0.759 225 P CB -0.274 31.068 31.700 -0.597 0.000 0.843 226 F N -2.865 117.112 119.950 0.044 0.000 2.637 226 F HA 0.286 4.812 4.527 -0.002 0.000 0.342 226 F C 1.685 177.590 175.800 0.176 0.000 0.822 226 F CA 0.160 58.206 58.000 0.078 0.000 1.046 226 F CB -0.289 38.749 39.000 0.063 0.000 0.921 226 F HN -0.033 nan 8.300 nan 0.000 0.649 227 G N 1.128 110.162 108.800 0.390 0.000 2.591 227 G HA2 0.165 4.123 3.960 -0.002 0.000 0.278 227 G HA3 0.165 4.123 3.960 -0.002 0.000 0.278 227 G C 0.577 175.735 174.900 0.430 0.000 1.293 227 G CA 0.041 45.374 45.100 0.388 0.000 0.930 227 G HN 1.513 nan 8.290 nan 0.000 0.562 228 G N -2.029 106.985 108.800 0.357 0.000 2.681 228 G HA2 0.468 4.427 3.960 -0.002 0.000 0.220 228 G HA3 0.468 4.427 3.960 -0.002 0.000 0.220 228 G C 0.131 175.109 174.900 0.130 0.000 1.353 228 G CA 1.172 46.352 45.100 0.132 0.000 0.872 228 G HN 2.924 nan 8.290 nan 0.000 0.557 229 A N -1.133 121.614 122.820 -0.122 0.000 2.556 229 A HA 0.819 5.137 4.320 -0.002 0.000 0.294 229 A C -0.474 177.030 177.584 -0.133 0.000 1.091 229 A CA -0.441 51.581 52.037 -0.025 0.000 0.704 229 A CB 1.383 20.424 19.000 0.067 0.000 1.300 229 A HN 1.300 nan 8.150 nan 0.000 0.406 230 I N 1.755 122.283 120.570 -0.071 0.000 2.404 230 I HA 0.401 4.569 4.170 -0.002 0.000 0.293 230 I C -0.839 175.234 176.117 -0.073 0.000 0.992 230 I CA -0.349 60.905 61.300 -0.077 0.000 1.149 230 I CB 1.518 39.428 38.000 -0.150 0.000 1.315 230 I HN 0.466 nan 8.210 nan 0.000 0.446 231 I N 7.155 127.714 120.570 -0.019 0.000 2.382 231 I HA 0.424 4.593 4.170 -0.002 0.000 0.286 231 I C -0.316 175.775 176.117 -0.043 0.000 1.002 231 I CA -0.506 60.783 61.300 -0.019 0.000 1.135 231 I CB 1.762 39.785 38.000 0.040 0.000 1.288 231 I HN 0.354 nan 8.210 nan 0.000 0.448 232 I N 5.369 125.904 120.570 -0.059 0.000 2.377 232 I HA 0.568 4.736 4.170 -0.002 0.000 0.293 232 I C 0.622 176.710 176.117 -0.048 0.000 0.987 232 I CA -0.189 61.074 61.300 -0.063 0.000 1.185 232 I CB 1.888 39.847 38.000 -0.068 0.000 1.341 232 I HN 0.635 nan 8.210 nan 0.000 0.455 233 G N 4.619 113.387 108.800 -0.054 0.000 3.222 233 G HA2 0.466 4.425 3.960 -0.002 0.000 0.263 233 G HA3 0.466 4.425 3.960 -0.002 0.000 0.263 233 G C -1.076 173.791 174.900 -0.054 0.000 1.312 233 G CA -0.520 44.551 45.100 -0.047 0.000 0.934 233 G HN 0.537 nan 8.290 nan 0.000 0.577 234 Q N 0.214 119.986 119.800 -0.047 0.000 2.396 234 Q HA 0.230 4.568 4.340 -0.002 0.000 0.221 234 Q C 0.073 176.037 176.000 -0.059 0.000 1.025 234 Q CA 0.227 55.999 55.803 -0.051 0.000 0.946 234 Q CB 0.670 29.387 28.738 -0.036 0.000 1.224 234 Q HN 0.864 nan 8.270 nan 0.000 0.539 235 E N -1.033 119.129 120.200 -0.064 0.000 2.449 235 E HA -0.309 4.039 4.350 -0.002 0.000 0.244 235 E C -0.927 175.633 176.600 -0.067 0.000 1.306 235 E CA 0.743 57.106 56.400 -0.063 0.000 0.712 235 E CB -1.718 27.956 29.700 -0.044 0.000 1.239 235 E HN 0.571 nan 8.360 nan 0.000 0.400 236 S N -1.088 114.565 115.700 -0.078 0.000 2.580 236 S HA 0.689 5.157 4.470 -0.002 0.000 0.281 236 S C -0.776 173.769 174.600 -0.092 0.000 1.129 236 S CA -1.064 57.089 58.200 -0.078 0.000 0.862 236 S CB 1.378 64.547 63.200 -0.053 0.000 1.090 236 S HN 0.263 nan 8.310 nan 0.000 0.451 237 I N 2.086 122.591 120.570 -0.109 0.000 2.582 237 I HA 0.700 4.868 4.170 -0.002 0.000 0.292 237 I C -0.278 175.756 176.117 -0.138 0.000 1.066 237 I CA -0.435 60.796 61.300 -0.115 0.000 1.053 237 I CB 2.629 40.552 38.000 -0.129 0.000 1.241 237 I HN 1.038 nan 8.210 nan 0.000 0.421 238 T N 1.819 116.297 114.554 -0.127 0.000 2.883 238 T HA 0.529 4.877 4.350 -0.002 0.000 0.296 238 T C -1.437 173.135 174.700 -0.212 0.000 1.117 238 T CA -0.726 61.234 62.100 -0.233 0.000 1.006 238 T CB 2.062 70.782 68.868 -0.246 0.000 1.191 238 T HN 0.384 nan 8.240 nan 0.000 0.508 239 Y N 1.422 121.397 120.300 -0.543 0.000 2.364 239 Y HA 0.592 5.140 4.550 -0.002 0.000 0.340 239 Y C -0.668 174.871 175.900 -0.602 0.000 0.975 239 Y CA -0.840 57.006 58.100 -0.424 0.000 1.089 239 Y CB 1.265 39.502 38.460 -0.372 0.000 1.192 239 Y HN 0.800 nan 8.280 nan 0.000 0.454 240 H N 5.650 124.124 119.070 -0.993 0.000 2.689 240 H HA 0.347 4.902 4.556 -0.002 0.000 0.346 240 H C -1.226 173.497 175.328 -1.008 0.000 1.037 240 H CA -0.837 54.791 56.048 -0.700 0.000 1.234 240 H CB 1.928 31.495 29.762 -0.326 0.000 1.572 240 H HN 0.789 nan 8.280 nan 0.000 0.524 241 N N 2.361 120.554 118.700 -0.845 0.000 2.752 241 N HA 0.287 5.025 4.740 -0.002 0.000 0.268 241 N C 0.280 175.285 175.510 -0.842 0.000 1.190 241 N CA 0.359 52.778 53.050 -1.052 0.000 0.897 241 N CB 1.189 39.477 38.487 -0.332 0.000 1.515 241 N HN 0.926 nan 8.380 nan 0.000 0.567 242 G N 3.246 111.321 108.800 -1.208 0.000 2.527 242 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.268 242 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.268 242 G C 0.240 174.958 174.900 -0.302 0.000 1.175 242 G CA 0.578 45.441 45.100 -0.395 0.000 0.962 242 G HN 0.641 nan 8.290 nan 0.000 0.560 243 D N 0.757 121.080 120.400 -0.128 0.000 2.324 243 D HA 0.302 4.941 4.640 -0.002 0.000 0.235 243 D C 0.870 177.126 176.300 -0.072 0.000 1.095 243 D CA 0.573 54.522 54.000 -0.085 0.000 0.871 243 D CB -0.004 40.776 40.800 -0.033 0.000 0.906 243 D HN 0.383 nan 8.370 nan 0.000 0.522 244 K N 0.190 120.527 120.400 -0.105 0.000 2.143 244 K HA 0.334 4.653 4.320 -0.002 0.000 0.272 244 K C -1.646 174.952 176.600 -0.004 0.000 1.001 244 K CA -0.693 55.576 56.287 -0.030 0.000 0.915 244 K CB 0.519 33.032 32.500 0.021 0.000 1.047 244 K HN -0.020 nan 8.250 nan 0.000 0.458 245 Y N 4.281 124.508 120.300 -0.122 0.000 2.358 245 Y HA 0.434 4.983 4.550 -0.002 0.000 0.324 245 Y C -2.037 173.781 175.900 -0.137 0.000 1.123 245 Y CA -0.781 57.197 58.100 -0.203 0.000 1.067 245 Y CB 0.970 39.316 38.460 -0.190 0.000 1.230 245 Y HN 0.518 nan 8.280 nan 0.000 0.429 246 L N 4.989 125.807 121.223 -0.674 0.000 2.309 246 L HA 1.070 5.409 4.340 -0.002 0.000 0.261 246 L C -0.910 175.504 176.870 -0.760 0.000 1.021 246 L CA -1.270 53.229 54.840 -0.568 0.000 0.823 246 L CB 2.333 44.205 42.059 -0.311 0.000 1.366 246 L HN 0.770 nan 8.230 nan 0.000 0.423 247 A N 1.970 124.504 122.820 -0.478 0.000 2.582 247 A HA 0.786 5.105 4.320 -0.002 0.000 0.297 247 A C -1.442 176.023 177.584 -0.199 0.000 1.059 247 A CA -0.431 51.388 52.037 -0.364 0.000 0.705 247 A CB 1.491 20.265 19.000 -0.377 0.000 1.279 247 A HN 0.682 nan 8.150 nan 0.000 0.404 248 I N -1.454 119.021 120.570 -0.158 0.000 2.769 248 I HA 0.892 5.060 4.170 -0.002 0.000 0.298 248 I C -0.050 176.006 176.117 -0.101 0.000 1.128 248 I CA -1.031 60.198 61.300 -0.118 0.000 1.031 248 I CB 2.592 40.520 38.000 -0.120 0.000 1.235 248 I HN 0.900 nan 8.210 nan 0.000 0.423 249 A N 5.037 127.809 122.820 -0.081 0.000 3.248 249 A HA 0.562 4.881 4.320 -0.002 0.000 0.315 249 A C -2.500 175.042 177.584 -0.070 0.000 0.974 249 A CA -1.266 50.728 52.037 -0.072 0.000 0.939 249 A CB -0.531 18.437 19.000 -0.054 0.000 1.061 249 A HN 0.608 nan 8.150 nan 0.000 0.481 250 P HA 0.169 nan 4.420 nan 0.000 0.266 250 P C -2.287 174.973 177.300 -0.067 0.000 1.215 250 P CA -0.745 62.310 63.100 -0.075 0.000 0.763 250 P CB 1.006 32.648 31.700 -0.096 0.000 0.806 251 P HA -0.144 nan 4.420 nan 0.000 0.217 251 P C 1.536 178.826 177.300 -0.017 0.000 1.148 251 P CA 1.140 64.223 63.100 -0.029 0.000 0.828 251 P CB -0.233 31.457 31.700 -0.017 0.000 0.783 252 I N -1.768 118.801 120.570 -0.002 0.000 2.381 252 I HA -0.260 3.909 4.170 -0.002 0.000 0.255 252 I C 1.981 178.120 176.117 0.036 0.000 1.140 252 I CA 1.594 62.928 61.300 0.057 0.000 1.404 252 I CB -0.584 37.505 38.000 0.148 0.000 1.075 252 I HN -0.010 nan 8.210 nan 0.000 0.433 253 I N -0.132 120.387 120.570 -0.085 0.000 3.265 253 I HA -0.097 4.071 4.170 -0.002 0.000 0.282 253 I C 2.369 178.440 176.117 -0.077 0.000 1.207 253 I CA 0.274 61.475 61.300 -0.164 0.000 1.449 253 I CB -0.177 37.650 38.000 -0.288 0.000 1.121 253 I HN 0.030 nan 8.210 nan 0.000 0.442 254 K N 1.188 121.557 120.400 -0.053 0.000 2.374 254 K HA -0.258 4.061 4.320 -0.002 0.000 0.202 254 K C 1.573 178.165 176.600 -0.015 0.000 1.044 254 K CA 1.615 57.882 56.287 -0.033 0.000 0.933 254 K CB 0.065 32.551 32.500 -0.023 0.000 0.745 254 K HN 0.520 nan 8.250 nan 0.000 0.474 255 Q N -0.680 119.121 119.800 0.002 0.000 1.967 255 Q HA 0.006 4.344 4.340 -0.002 0.000 0.196 255 Q C 1.098 177.102 176.000 0.008 0.000 0.978 255 Q CA 0.627 56.439 55.803 0.014 0.000 0.833 255 Q CB -0.040 28.719 28.738 0.035 0.000 0.898 255 Q HN 0.008 nan 8.270 nan 0.000 0.446 256 S N -0.577 115.136 115.700 0.021 0.000 2.718 256 S HA 0.307 4.775 4.470 -0.002 0.000 0.300 256 S C -0.520 174.081 174.600 0.002 0.000 1.117 256 S CA -0.650 57.555 58.200 0.007 0.000 1.002 256 S CB 1.529 64.740 63.200 0.019 0.000 1.092 256 S HN 0.120 nan 8.310 nan 0.000 0.542 257 T N 2.480 117.030 114.554 -0.007 0.000 2.856 257 T HA 0.411 4.759 4.350 -0.002 0.000 0.292 257 T C -0.068 174.636 174.700 0.007 0.000 0.980 257 T CA -0.131 61.964 62.100 -0.009 0.000 1.091 257 T CB 0.038 68.900 68.868 -0.009 0.000 0.936 257 T HN 0.435 nan 8.240 nan 0.000 0.503 258 I N 3.677 124.243 120.570 -0.006 0.000 2.416 258 I HA 0.127 4.295 4.170 -0.002 0.000 0.288 258 I C 1.003 177.139 176.117 0.032 0.000 1.051 258 I CA -0.110 61.200 61.300 0.017 0.000 1.375 258 I CB 1.290 39.276 38.000 -0.023 0.000 1.407 258 I HN 0.448 nan 8.210 nan 0.000 0.516 259 V N 5.777 125.721 119.914 0.051 0.000 3.212 259 V HA 0.028 4.146 4.120 -0.002 0.000 0.244 259 V C 0.282 176.406 176.094 0.050 0.000 1.151 259 V CA 0.579 62.905 62.300 0.043 0.000 1.119 259 V CB 0.858 32.700 31.823 0.031 0.000 0.838 259 V HN 0.975 nan 8.190 nan 0.000 0.470 260 C N -0.225 119.116 119.300 0.068 0.000 3.090 260 C HA 0.886 5.345 4.460 -0.002 0.000 0.305 260 C C -0.548 174.516 174.990 0.123 0.000 1.292 260 C CA -0.750 58.293 59.018 0.043 0.000 1.482 260 C CB 1.012 28.755 27.740 0.004 0.000 1.897 260 C HN 0.690 nan 8.230 nan 0.000 0.469 261 H N 0.270 119.388 119.070 0.079 0.000 2.946 261 H HA 0.878 5.433 4.556 -0.002 0.000 0.365 261 H C -1.146 174.275 175.328 0.155 0.000 1.197 261 H CA -0.506 55.608 56.048 0.109 0.000 1.131 261 H CB 1.327 31.127 29.762 0.063 0.000 1.849 261 H HN 0.936 nan 8.280 nan 0.000 0.555 262 N N -0.203 118.755 118.700 0.430 0.000 2.405 262 N HA 0.238 4.977 4.740 -0.002 0.000 0.274 262 N C -1.676 174.106 175.510 0.454 0.000 1.170 262 N CA -0.920 52.362 53.050 0.386 0.000 0.848 262 N CB 2.303 40.925 38.487 0.225 0.000 1.629 262 N HN 0.765 nan 8.380 nan 0.000 0.481 263 R N 2.629 123.371 120.500 0.402 0.000 2.296 263 R HA 0.285 4.624 4.340 -0.002 0.000 0.323 263 R C 0.244 176.502 176.300 -0.069 0.000 1.067 263 R CA -0.247 55.904 56.100 0.085 0.000 0.946 263 R CB 0.158 30.549 30.300 0.151 0.000 0.991 263 R HN 0.481 nan 8.270 nan 0.000 0.448 264 V N 2.952 122.702 119.914 -0.274 0.000 2.239 264 V HA -0.113 4.006 4.120 -0.002 0.000 0.236 264 V C 0.264 176.169 176.094 -0.314 0.000 1.040 264 V CA 1.384 63.450 62.300 -0.390 0.000 0.996 264 V CB -0.175 31.357 31.823 -0.485 0.000 0.640 264 V HN 0.770 nan 8.190 nan 0.000 0.456 265 D N 0.370 120.594 120.400 -0.293 0.000 2.249 265 D HA 0.242 4.880 4.640 -0.002 0.000 0.246 265 D C -1.739 174.486 176.300 -0.126 0.000 1.114 265 D CA -1.934 51.966 54.000 -0.168 0.000 0.854 265 D CB 1.198 41.912 40.800 -0.144 0.000 1.132 265 D HN 0.104 nan 8.370 nan 0.000 0.461 266 P HA -0.165 nan 4.420 nan 0.000 0.218 266 P C 0.891 178.149 177.300 -0.070 0.000 1.146 266 P CA 0.892 63.968 63.100 -0.040 0.000 0.820 266 P CB 0.264 31.959 31.700 -0.008 0.000 0.778 267 N N -0.618 118.037 118.700 -0.075 0.000 2.322 267 N HA -0.158 4.581 4.740 -0.002 0.000 0.189 267 N C 1.494 177.013 175.510 0.015 0.000 1.012 267 N CA 1.732 54.730 53.050 -0.088 0.000 0.880 267 N CB -0.655 37.795 38.487 -0.062 0.000 0.967 267 N HN 0.261 nan 8.380 nan 0.000 0.439 268 G N -0.311 108.492 108.800 0.005 0.000 2.136 268 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.242 268 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.242 268 G C 0.936 175.891 174.900 0.091 0.000 0.989 268 G CA 0.594 45.746 45.100 0.087 0.000 0.682 268 G HN 0.390 nan 8.290 nan 0.000 0.522 269 S N -0.639 115.070 115.700 0.014 0.000 2.446 269 S HA 0.219 4.688 4.470 -0.002 0.000 0.225 269 S C 1.241 175.799 174.600 -0.070 0.000 1.016 269 S CA 0.790 59.021 58.200 0.051 0.000 0.943 269 S CB 0.223 63.458 63.200 0.058 0.000 0.786 269 S HN 0.676 nan 8.310 nan 0.000 0.508 270 R N -0.644 119.719 120.500 -0.227 0.000 2.771 270 R HA 0.598 4.937 4.340 -0.002 0.000 0.274 270 R C -1.909 174.124 176.300 -0.444 0.000 0.987 270 R CA -0.560 55.403 56.100 -0.229 0.000 0.908 270 R CB 1.633 31.817 30.300 -0.192 0.000 1.213 270 R HN 0.148 nan 8.270 nan 0.000 0.468 271 Y N 0.687 120.980 120.300 -0.011 0.000 2.534 271 Y HA 0.405 4.953 4.550 -0.002 0.000 0.345 271 Y C -0.468 175.461 175.900 0.048 0.000 1.031 271 Y CA -0.865 57.254 58.100 0.032 0.000 1.022 271 Y CB 2.049 40.529 38.460 0.034 0.000 1.292 271 Y HN 0.207 nan 8.280 nan 0.000 0.459 272 L N 4.215 125.579 121.223 0.236 0.000 2.325 272 L HA 0.613 4.951 4.340 -0.002 0.000 0.279 272 L C -0.943 176.068 176.870 0.236 0.000 1.054 272 L CA -0.723 54.233 54.840 0.194 0.000 0.804 272 L CB 1.231 43.385 42.059 0.159 0.000 1.200 272 L HN 0.445 nan 8.230 nan 0.000 0.436 273 L N 2.052 123.413 121.223 0.230 0.000 2.410 273 L HA 0.628 4.967 4.340 -0.002 0.000 0.270 273 L C -0.040 176.989 176.870 0.264 0.000 0.983 273 L CA -0.536 54.445 54.840 0.234 0.000 0.822 273 L CB 2.123 44.299 42.059 0.194 0.000 1.285 273 L HN 0.647 nan 8.230 nan 0.000 0.409 274 G N 0.916 109.831 108.800 0.192 0.000 2.470 274 G HA2 0.480 4.439 3.960 -0.002 0.000 0.320 274 G HA3 0.480 4.439 3.960 -0.002 0.000 0.320 274 G C -0.998 173.990 174.900 0.148 0.000 1.245 274 G CA -0.308 44.885 45.100 0.155 0.000 0.935 274 G HN 0.422 nan 8.290 nan 0.000 0.476 275 D N 1.470 121.969 120.400 0.166 0.000 2.398 275 D HA 0.171 4.810 4.640 -0.002 0.000 0.247 275 D C 1.663 177.989 176.300 0.043 0.000 1.227 275 D CA -0.406 53.668 54.000 0.124 0.000 0.980 275 D CB 1.229 42.113 40.800 0.140 0.000 1.106 275 D HN 0.228 nan 8.370 nan 0.000 0.493 276 M N -0.140 119.463 119.600 0.005 0.000 2.319 276 M HA -0.090 4.388 4.480 -0.002 0.000 0.265 276 M C 1.319 177.568 176.300 -0.085 0.000 1.068 276 M CA 1.141 56.408 55.300 -0.055 0.000 1.118 276 M CB 0.077 32.619 32.600 -0.098 0.000 1.395 276 M HN 0.336 nan 8.290 nan 0.000 0.435 277 E N -0.609 119.561 120.200 -0.051 0.000 2.463 277 E HA 0.116 4.464 4.350 -0.002 0.000 0.193 277 E C 0.833 177.416 176.600 -0.028 0.000 1.041 277 E CA 0.384 56.749 56.400 -0.059 0.000 0.879 277 E CB 0.265 29.942 29.700 -0.039 0.000 0.997 277 E HN 0.525 nan 8.360 nan 0.000 0.478 278 G N 1.366 110.157 108.800 -0.016 0.000 2.157 278 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.239 278 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.239 278 G C 0.028 174.895 174.900 -0.053 0.000 0.982 278 G CA -0.044 45.042 45.100 -0.023 0.000 0.650 278 G HN 0.180 nan 8.290 nan 0.000 0.527 279 R N -0.609 119.850 120.500 -0.069 0.000 2.490 279 R HA 0.648 4.987 4.340 -0.002 0.000 0.278 279 R C -0.100 176.045 176.300 -0.258 0.000 1.069 279 R CA -0.541 55.413 56.100 -0.244 0.000 1.080 279 R CB 1.135 31.174 30.300 -0.435 0.000 1.030 279 R HN 0.234 nan 8.270 nan 0.000 0.491 280 L N 3.065 124.076 121.223 -0.352 0.000 2.322 280 L HA 0.521 4.860 4.340 -0.002 0.000 0.281 280 L C -1.478 175.167 176.870 -0.374 0.000 1.014 280 L CA -0.175 54.553 54.840 -0.187 0.000 0.815 280 L CB 0.927 42.935 42.059 -0.086 0.000 1.247 280 L HN 0.412 nan 8.230 nan 0.000 0.421 281 F N 4.244 124.201 119.950 0.011 0.000 2.538 281 F HA 0.611 5.136 4.527 -0.002 0.000 0.325 281 F C -0.009 175.790 175.800 -0.003 0.000 1.066 281 F CA -0.745 57.252 58.000 -0.005 0.000 0.946 281 F CB 1.834 40.830 39.000 -0.007 0.000 1.199 281 F HN 0.371 nan 8.300 nan 0.000 0.473 282 M N 3.409 123.108 119.600 0.166 0.000 2.088 282 M HA 0.462 4.940 4.480 -0.002 0.000 0.346 282 M C -1.510 174.838 176.300 0.081 0.000 1.111 282 M CA -0.664 54.687 55.300 0.085 0.000 1.017 282 M CB 0.781 33.376 32.600 -0.008 0.000 1.568 282 M HN 0.519 nan 8.290 nan 0.000 0.445 283 L N 6.584 127.863 121.223 0.093 0.000 2.312 283 L HA 0.696 5.034 4.340 -0.002 0.000 0.281 283 L C -1.763 175.132 176.870 0.042 0.000 1.070 283 L CA 0.026 54.904 54.840 0.063 0.000 0.805 283 L CB 0.820 42.935 42.059 0.094 0.000 1.174 283 L HN 0.760 nan 8.230 nan 0.000 0.434 284 L N 5.673 126.894 121.223 -0.004 0.000 2.409 284 L HA 0.466 4.805 4.340 -0.002 0.000 0.272 284 L C -1.262 175.568 176.870 -0.066 0.000 0.980 284 L CA -0.517 54.303 54.840 -0.033 0.000 0.826 284 L CB 1.792 43.821 42.059 -0.049 0.000 1.268 284 L HN 0.362 nan 8.230 nan 0.000 0.407 285 L N 2.862 124.035 121.223 -0.084 0.000 2.255 285 L HA 0.356 4.695 4.340 -0.002 0.000 0.289 285 L C 0.344 177.100 176.870 -0.189 0.000 1.046 285 L CA -0.024 54.695 54.840 -0.202 0.000 0.816 285 L CB 1.054 42.920 42.059 -0.322 0.000 1.197 285 L HN 0.537 nan 8.230 nan 0.000 0.427 286 E N 3.659 123.739 120.200 -0.199 0.000 2.070 286 E HA 0.110 4.459 4.350 -0.002 0.000 0.282 286 E C 0.092 176.617 176.600 -0.124 0.000 1.104 286 E CA -0.220 56.104 56.400 -0.127 0.000 0.876 286 E CB 0.571 30.200 29.700 -0.117 0.000 1.055 286 E HN 0.423 nan 8.360 nan 0.000 0.401 287 K N 2.413 122.808 120.400 -0.009 0.000 2.343 287 K HA 0.071 4.390 4.320 -0.002 0.000 0.250 287 K C -0.305 176.314 176.600 0.033 0.000 1.087 287 K CA 0.311 56.660 56.287 0.103 0.000 0.853 287 K CB 0.464 33.064 32.500 0.166 0.000 1.133 287 K HN 0.406 nan 8.250 nan 0.000 0.509 288 E N 0.990 121.226 120.200 0.060 0.000 3.397 288 E HA -0.037 4.312 4.350 -0.002 0.000 0.380 288 E C -1.894 174.723 176.600 0.029 0.000 0.989 288 E CA -0.192 56.221 56.400 0.022 0.000 0.783 288 E CB 1.293 30.993 29.700 0.000 0.000 1.334 288 E HN 0.609 nan 8.360 nan 0.000 0.457 289 E N 4.165 124.373 120.200 0.014 0.000 2.001 289 E HA 0.146 4.495 4.350 -0.002 0.000 0.279 289 E C -0.349 176.253 176.600 0.004 0.000 1.045 289 E CA -0.195 56.210 56.400 0.008 0.000 0.833 289 E CB 0.652 30.352 29.700 0.000 0.000 1.077 289 E HN 0.326 nan 8.360 nan 0.000 0.397 290 Q N 3.882 123.686 119.800 0.006 0.000 2.443 290 Q HA 0.028 4.367 4.340 -0.002 0.000 0.232 290 Q C 1.558 177.559 176.000 0.001 0.000 1.026 290 Q CA -0.118 55.687 55.803 0.003 0.000 0.924 290 Q CB 0.857 29.598 28.738 0.006 0.000 1.256 290 Q HN 0.659 nan 8.270 nan 0.000 0.519 291 M N 0.688 120.288 119.600 0.000 0.000 4.029 291 M HA -0.296 4.183 4.480 -0.002 0.000 0.292 291 M C 0.348 176.648 176.300 0.000 0.000 1.018 291 M CA 1.948 57.248 55.300 -0.000 0.000 1.040 291 M CB -0.274 32.326 32.600 0.000 0.000 1.213 291 M HN 0.680 nan 8.290 nan 0.000 0.652 292 D N -1.476 118.925 120.400 0.001 0.000 2.567 292 D HA 0.231 4.869 4.640 -0.002 0.000 0.268 292 D C 0.411 176.714 176.300 0.004 0.000 1.448 292 D CA 0.216 54.217 54.000 0.001 0.000 0.811 292 D CB 0.253 41.053 40.800 0.001 0.000 1.192 292 D HN 0.375 nan 8.370 nan 0.000 0.488 293 G N 0.132 108.936 108.800 0.006 0.000 2.418 293 G HA2 0.204 4.163 3.960 -0.002 0.000 0.276 293 G HA3 0.204 4.163 3.960 -0.002 0.000 0.276 293 G C 0.613 175.517 174.900 0.007 0.000 1.442 293 G CA 0.390 45.495 45.100 0.009 0.000 1.066 293 G HN 0.043 nan 8.290 nan 0.000 0.553 294 T N -1.210 113.350 114.554 0.011 0.000 2.893 294 T HA 0.411 4.760 4.350 -0.002 0.000 0.281 294 T C 0.266 174.970 174.700 0.006 0.000 1.027 294 T CA 0.089 62.191 62.100 0.005 0.000 0.953 294 T CB 1.150 70.024 68.868 0.011 0.000 1.434 294 T HN 0.842 nan 8.240 nan 0.000 0.597 295 V N 1.106 121.015 119.914 -0.009 0.000 2.356 295 V HA 0.499 4.618 4.120 -0.002 0.000 0.258 295 V C 0.501 176.639 176.094 0.074 0.000 1.065 295 V CA -0.601 61.700 62.300 0.001 0.000 0.935 295 V CB -0.278 31.504 31.823 -0.068 0.000 1.061 295 V HN 0.858 nan 8.190 nan 0.000 0.484 296 T N 5.575 120.191 114.554 0.103 0.000 2.771 296 T HA 0.675 5.023 4.350 -0.002 0.000 0.290 296 T C -0.331 174.485 174.700 0.193 0.000 1.005 296 T CA -0.106 62.078 62.100 0.140 0.000 0.944 296 T CB 1.149 70.045 68.868 0.046 0.000 1.147 296 T HN 1.368 nan 8.240 nan 0.000 0.534 297 L N 0.272 121.478 121.223 -0.029 0.000 2.410 297 L HA 0.671 5.009 4.340 -0.002 0.000 0.270 297 L C 0.484 177.176 176.870 -0.297 0.000 0.983 297 L CA -0.481 54.186 54.840 -0.289 0.000 0.822 297 L CB 1.633 43.178 42.059 -0.857 0.000 1.285 297 L HN 0.733 nan 8.230 nan 0.000 0.409 298 K N 0.683 120.943 120.400 -0.233 0.000 2.168 298 K HA 0.197 4.516 4.320 -0.002 0.000 0.201 298 K C -0.340 176.140 176.600 -0.201 0.000 1.049 298 K CA 0.674 56.855 56.287 -0.177 0.000 0.974 298 K CB 0.389 32.822 32.500 -0.113 0.000 0.792 298 K HN 0.897 nan 8.250 nan 0.000 0.463 299 D N -1.218 119.046 120.400 -0.226 0.000 2.653 299 D HA 0.304 4.942 4.640 -0.002 0.000 0.258 299 D C -1.513 174.656 176.300 -0.218 0.000 1.252 299 D CA -0.509 53.367 54.000 -0.206 0.000 0.777 299 D CB 1.300 42.014 40.800 -0.143 0.000 1.339 299 D HN -0.052 nan 8.370 nan 0.000 0.422 300 L N 0.982 122.089 121.223 -0.194 0.000 2.332 300 L HA 0.754 5.093 4.340 -0.002 0.000 0.269 300 L C 0.085 176.882 176.870 -0.123 0.000 1.016 300 L CA -0.810 53.931 54.840 -0.165 0.000 0.809 300 L CB 1.719 43.682 42.059 -0.160 0.000 1.280 300 L HN 0.339 nan 8.230 nan 0.000 0.447 301 R N 0.229 120.670 120.500 -0.098 0.000 2.644 301 R HA 0.626 4.965 4.340 -0.002 0.000 0.257 301 R C -2.245 174.020 176.300 -0.058 0.000 1.082 301 R CA -0.480 55.574 56.100 -0.076 0.000 0.927 301 R CB 2.154 32.413 30.300 -0.068 0.000 1.258 301 R HN 0.356 nan 8.270 nan 0.000 0.459 302 V N 3.220 123.105 119.914 -0.049 0.000 2.656 302 V HA 0.513 4.631 4.120 -0.002 0.000 0.307 302 V C -1.014 175.098 176.094 0.029 0.000 1.051 302 V CA -0.491 61.797 62.300 -0.020 0.000 0.893 302 V CB 2.125 33.895 31.823 -0.088 0.000 0.999 302 V HN 0.785 nan 8.190 nan 0.000 0.426 303 E N 3.621 123.867 120.200 0.076 0.000 2.256 303 E HA 0.380 4.729 4.350 -0.002 0.000 0.268 303 E C -1.309 175.377 176.600 0.143 0.000 0.877 303 E CA -1.039 55.397 56.400 0.060 0.000 0.757 303 E CB 2.866 32.524 29.700 -0.070 0.000 1.183 303 E HN 0.488 nan 8.360 nan 0.000 0.418 304 L N 4.167 125.470 121.223 0.134 0.000 2.500 304 L HA 0.055 4.394 4.340 -0.002 0.000 0.272 304 L C 0.094 176.871 176.870 -0.155 0.000 1.149 304 L CA 0.687 55.463 54.840 -0.106 0.000 0.897 304 L CB 0.110 42.115 42.059 -0.091 0.000 1.178 304 L HN 0.707 nan 8.230 nan 0.000 0.473 305 L N 5.172 126.282 121.223 -0.188 0.000 2.477 305 L HA 0.465 4.803 4.340 -0.002 0.000 0.220 305 L C 1.175 178.044 176.870 -0.000 0.000 1.106 305 L CA 0.407 55.193 54.840 -0.090 0.000 0.851 305 L CB -0.616 41.404 42.059 -0.065 0.000 0.994 305 L HN 0.935 nan 8.230 nan 0.000 0.462 306 G N 0.746 109.469 108.800 -0.128 0.000 2.291 306 G HA2 0.017 3.976 3.960 -0.002 0.000 0.249 306 G HA3 0.017 3.976 3.960 -0.002 0.000 0.249 306 G C -1.625 173.193 174.900 -0.137 0.000 1.340 306 G CA -0.284 44.764 45.100 -0.087 0.000 1.017 306 G HN 0.181 nan 8.290 nan 0.000 0.470 307 E N -1.097 119.052 120.200 -0.086 0.000 2.340 307 E HA 0.767 5.115 4.350 -0.002 0.000 0.273 307 E C -0.046 176.519 176.600 -0.059 0.000 0.891 307 E CA -0.070 56.278 56.400 -0.086 0.000 0.757 307 E CB 2.331 31.989 29.700 -0.070 0.000 1.231 307 E HN 1.054 nan 8.360 nan 0.000 0.439 308 T N -0.454 114.067 114.554 -0.056 0.000 2.633 308 T HA 0.651 5.000 4.350 -0.002 0.000 0.262 308 T C -0.057 174.616 174.700 -0.044 0.000 0.920 308 T CA -0.317 61.751 62.100 -0.053 0.000 1.062 308 T CB 0.762 69.596 68.868 -0.057 0.000 1.390 308 T HN 0.700 nan 8.240 nan 0.000 0.549 309 S N -0.508 115.163 115.700 -0.049 0.000 2.607 309 S HA 0.655 5.123 4.470 -0.002 0.000 0.303 309 S C -0.043 174.538 174.600 -0.031 0.000 1.086 309 S CA -1.108 57.075 58.200 -0.029 0.000 0.995 309 S CB 0.221 63.394 63.200 -0.045 0.000 1.084 309 S HN 0.779 nan 8.310 nan 0.000 0.507 310 I N 1.901 122.466 120.570 -0.008 0.000 2.919 310 I HA 0.134 4.302 4.170 -0.002 0.000 0.299 310 I C 0.833 176.942 176.117 -0.014 0.000 1.221 310 I CA 0.208 61.508 61.300 -0.002 0.000 1.424 310 I CB -0.342 37.674 38.000 0.027 0.000 1.358 310 I HN 0.803 nan 8.210 nan 0.000 0.551 311 A N 6.761 129.572 122.820 -0.015 0.000 2.290 311 A HA 0.309 4.628 4.320 -0.002 0.000 0.310 311 A C 0.851 178.427 177.584 -0.013 0.000 1.202 311 A CA -0.527 51.492 52.037 -0.029 0.000 0.837 311 A CB 1.050 20.036 19.000 -0.024 0.000 1.139 311 A HN 0.809 nan 8.150 nan 0.000 0.509 312 E N 0.310 120.498 120.200 -0.021 0.000 2.216 312 E HA 0.060 4.408 4.350 -0.002 0.000 0.192 312 E C -0.217 176.380 176.600 -0.005 0.000 0.973 312 E CA 0.732 57.129 56.400 -0.006 0.000 0.851 312 E CB 0.564 30.263 29.700 -0.002 0.000 0.804 312 E HN 0.678 nan 8.360 nan 0.000 0.477 313 c N 0.447 119.041 118.600 -0.011 0.000 2.880 313 c HA 0.697 5.265 4.570 -0.002 0.000 0.320 313 c C -1.734 172.356 174.090 0.000 0.000 1.176 313 c CA -0.780 55.556 56.329 0.011 0.000 1.390 313 c CB 0.576 43.118 42.510 0.054 0.000 1.846 313 c HN 0.239 nan 8.230 nan 0.000 0.478 314 L N 4.251 125.498 121.223 0.039 0.000 2.482 314 L HA 0.807 5.145 4.340 -0.002 0.000 0.263 314 L C -0.580 176.367 176.870 0.127 0.000 0.957 314 L CA 0.369 55.244 54.840 0.058 0.000 0.836 314 L CB 2.586 44.679 42.059 0.057 0.000 1.324 314 L HN 0.843 nan 8.230 nan 0.000 0.406 315 T N 3.075 117.733 114.554 0.173 0.000 3.798 315 T HA 0.167 4.515 4.350 -0.002 0.000 0.339 315 T C -1.466 173.361 174.700 0.211 0.000 0.967 315 T CA -0.358 61.861 62.100 0.199 0.000 1.046 315 T CB 0.291 69.276 68.868 0.194 0.000 1.092 315 T HN 0.323 nan 8.240 nan 0.000 0.465 316 Y N 4.994 125.349 120.300 0.091 0.000 2.713 316 Y HA 0.195 4.744 4.550 -0.002 0.000 0.341 316 Y C 0.876 176.812 175.900 0.059 0.000 1.167 316 Y CA -0.311 57.831 58.100 0.070 0.000 1.503 316 Y CB 0.031 38.523 38.460 0.053 0.000 1.199 316 Y HN 0.672 nan 8.280 nan 0.000 0.525 317 L N 3.202 124.243 121.223 -0.304 0.000 2.013 317 L HA 0.125 4.464 4.340 -0.002 0.000 0.204 317 L C 0.145 176.766 176.870 -0.415 0.000 1.081 317 L CA 1.151 55.838 54.840 -0.254 0.000 0.751 317 L CB -0.094 41.866 42.059 -0.164 0.000 0.901 317 L HN 0.565 nan 8.230 nan 0.000 0.440 318 D N -3.122 116.908 120.400 -0.618 0.000 2.884 318 D HA 0.119 4.757 4.640 -0.002 0.000 0.255 318 D C -1.160 174.947 176.300 -0.322 0.000 1.142 318 D CA -0.570 53.165 54.000 -0.443 0.000 0.726 318 D CB 0.661 41.369 40.800 -0.153 0.000 1.436 318 D HN 0.097 nan 8.370 nan 0.000 0.441 319 N N 1.653 120.297 118.700 -0.094 0.000 2.714 319 N HA -0.163 4.576 4.740 -0.002 0.000 0.253 319 N C 0.899 176.417 175.510 0.013 0.000 1.024 319 N CA 1.787 54.843 53.050 0.010 0.000 0.726 319 N CB -1.103 37.384 38.487 -0.001 0.000 0.908 319 N HN 1.067 nan 8.380 nan 0.000 0.542 320 G N -2.574 106.294 108.800 0.114 0.000 2.189 320 G HA2 -0.358 3.600 3.960 -0.002 0.000 0.267 320 G HA3 -0.358 3.600 3.960 -0.002 0.000 0.267 320 G C 0.205 175.140 174.900 0.057 0.000 0.975 320 G CA 0.580 45.792 45.100 0.186 0.000 0.644 320 G HN 0.493 nan 8.290 nan 0.000 0.537 321 V N 0.436 120.265 119.914 -0.141 0.000 2.567 321 V HA 0.664 4.782 4.120 -0.002 0.000 0.289 321 V C 0.409 176.409 176.094 -0.156 0.000 1.049 321 V CA -0.472 61.763 62.300 -0.109 0.000 0.969 321 V CB 1.839 33.600 31.823 -0.102 0.000 0.995 321 V HN 0.321 nan 8.190 nan 0.000 0.471 322 V N 4.743 124.656 119.914 -0.001 0.000 2.760 322 V HA 0.412 4.530 4.120 -0.002 0.000 0.309 322 V C -0.858 175.307 176.094 0.118 0.000 1.077 322 V CA -0.686 61.657 62.300 0.072 0.000 0.910 322 V CB 1.929 33.829 31.823 0.128 0.000 1.008 322 V HN 0.686 nan 8.190 nan 0.000 0.424 323 F N 5.125 125.079 119.950 0.008 0.000 2.404 323 F HA 0.693 5.219 4.527 -0.002 0.000 0.345 323 F C -0.192 175.630 175.800 0.037 0.000 1.110 323 F CA -0.504 57.511 58.000 0.025 0.000 1.130 323 F CB 1.366 40.362 39.000 -0.006 0.000 1.129 323 F HN 0.257 nan 8.300 nan 0.000 0.500 324 V N 5.894 125.400 119.914 -0.680 0.000 2.347 324 V HA 0.525 4.643 4.120 -0.002 0.000 0.280 324 V C 0.427 175.977 176.094 -0.906 0.000 1.021 324 V CA -0.607 61.346 62.300 -0.578 0.000 0.847 324 V CB 0.990 32.637 31.823 -0.293 0.000 0.990 324 V HN 0.987 nan 8.190 nan 0.000 0.444 325 G N 2.720 111.172 108.800 -0.580 0.000 2.377 325 G HA2 0.509 4.468 3.960 -0.002 0.000 0.316 325 G HA3 0.509 4.468 3.960 -0.002 0.000 0.316 325 G C -0.311 174.503 174.900 -0.143 0.000 1.115 325 G CA -0.226 44.664 45.100 -0.350 0.000 0.952 325 G HN 0.675 nan 8.290 nan 0.000 0.441 326 S N 1.663 117.306 115.700 -0.094 0.000 2.532 326 S HA 0.550 5.018 4.470 -0.002 0.000 0.301 326 S C 0.953 175.547 174.600 -0.010 0.000 1.083 326 S CA -0.862 57.310 58.200 -0.047 0.000 1.025 326 S CB 1.957 65.125 63.200 -0.053 0.000 1.056 326 S HN 0.606 nan 8.310 nan 0.000 0.494 327 R N 2.710 123.207 120.500 -0.004 0.000 2.287 327 R HA 0.343 4.681 4.340 -0.002 0.000 0.197 327 R C 0.804 177.103 176.300 -0.001 0.000 0.900 327 R CA 0.357 56.457 56.100 -0.000 0.000 1.052 327 R CB -0.164 30.136 30.300 0.001 0.000 1.117 327 R HN 0.739 nan 8.270 nan 0.000 0.568 328 L N 0.250 121.478 121.223 0.009 0.000 2.640 328 L HA 0.369 4.708 4.340 -0.002 0.000 0.230 328 L C 0.790 177.658 176.870 -0.002 0.000 1.123 328 L CA 0.145 54.993 54.840 0.014 0.000 0.900 328 L CB 1.022 43.125 42.059 0.075 0.000 1.146 328 L HN 0.153 nan 8.230 nan 0.000 0.484 329 G N -1.617 107.176 108.800 -0.011 0.000 2.645 329 G HA2 0.288 4.246 3.960 -0.002 0.000 0.292 329 G HA3 0.288 4.246 3.960 -0.002 0.000 0.292 329 G C -1.728 173.156 174.900 -0.026 0.000 1.415 329 G CA -0.620 44.464 45.100 -0.027 0.000 0.785 329 G HN -0.214 nan 8.290 nan 0.000 0.483 330 D N 0.484 120.863 120.400 -0.035 0.000 2.506 330 D HA 0.376 5.015 4.640 -0.002 0.000 0.234 330 D C 0.828 177.116 176.300 -0.021 0.000 1.143 330 D CA 0.675 54.663 54.000 -0.019 0.000 0.871 330 D CB 1.026 41.801 40.800 -0.041 0.000 1.190 330 D HN 0.202 nan 8.370 nan 0.000 0.459 331 S N 0.756 116.481 115.700 0.043 0.000 2.645 331 S HA 0.508 4.977 4.470 -0.002 0.000 0.266 331 S C 0.054 174.641 174.600 -0.023 0.000 1.258 331 S CA -0.728 57.481 58.200 0.015 0.000 0.990 331 S CB 0.952 64.240 63.200 0.146 0.000 0.967 331 S HN 0.482 nan 8.310 nan 0.000 0.556 332 Q N -0.214 119.502 119.800 -0.140 0.000 2.630 332 Q HA 0.626 4.965 4.340 -0.002 0.000 0.295 332 Q C -2.072 173.885 176.000 -0.071 0.000 0.944 332 Q CA -1.017 54.652 55.803 -0.223 0.000 0.766 332 Q CB 0.775 29.375 28.738 -0.230 0.000 1.471 332 Q HN 0.344 nan 8.270 nan 0.000 0.416 333 L N 1.041 122.217 121.223 -0.079 0.000 2.307 333 L HA 0.749 5.088 4.340 -0.002 0.000 0.284 333 L C -1.153 175.697 176.870 -0.033 0.000 1.023 333 L CA -0.620 54.254 54.840 0.056 0.000 0.810 333 L CB 1.943 44.053 42.059 0.087 0.000 1.231 333 L HN 0.644 nan 8.230 nan 0.000 0.423 334 V N 3.225 123.138 119.914 -0.001 0.000 2.971 334 V HA 0.558 4.677 4.120 -0.002 0.000 0.309 334 V C -0.861 175.241 176.094 0.015 0.000 1.130 334 V CA -0.946 61.347 62.300 -0.011 0.000 0.964 334 V CB 2.580 34.392 31.823 -0.018 0.000 1.029 334 V HN 0.667 nan 8.190 nan 0.000 0.427 335 K N 3.612 124.021 120.400 0.016 0.000 2.206 335 K HA 0.656 4.975 4.320 -0.002 0.000 0.264 335 K C -1.265 175.370 176.600 0.059 0.000 0.967 335 K CA -0.303 56.005 56.287 0.034 0.000 0.844 335 K CB 1.189 33.702 32.500 0.022 0.000 1.099 335 K HN 0.578 nan 8.250 nan 0.000 0.441 336 L N 4.345 125.625 121.223 0.095 0.000 2.275 336 L HA 0.429 4.768 4.340 -0.002 0.000 0.288 336 L C -0.081 176.857 176.870 0.113 0.000 1.046 336 L CA -0.820 54.091 54.840 0.118 0.000 0.805 336 L CB 1.142 43.288 42.059 0.146 0.000 1.193 336 L HN 0.623 nan 8.230 nan 0.000 0.426 337 N N 1.236 120.009 118.700 0.121 0.000 2.384 337 N HA 0.299 5.038 4.740 -0.002 0.000 0.301 337 N C 0.722 176.333 175.510 0.168 0.000 1.133 337 N CA -0.583 52.528 53.050 0.103 0.000 0.853 337 N CB 2.530 41.046 38.487 0.047 0.000 1.241 337 N HN 0.212 nan 8.380 nan 0.000 0.502 338 V N -0.023 119.969 119.914 0.129 0.000 2.407 338 V HA -0.061 4.058 4.120 -0.002 0.000 0.245 338 V C 0.292 176.505 176.094 0.197 0.000 1.041 338 V CA 1.229 63.628 62.300 0.164 0.000 1.040 338 V CB -0.274 31.607 31.823 0.097 0.000 0.671 338 V HN 0.544 nan 8.190 nan 0.000 0.455 339 D N 1.206 121.645 120.400 0.065 0.000 2.302 339 D HA 0.280 4.919 4.640 -0.002 0.000 0.248 339 D C 0.392 176.523 176.300 -0.281 0.000 1.094 339 D CA 0.262 54.239 54.000 -0.038 0.000 0.897 339 D CB 1.457 42.231 40.800 -0.044 0.000 1.200 339 D HN 0.395 nan 8.370 nan 0.000 0.429 340 S N 1.588 116.919 115.700 -0.615 0.000 2.603 340 S HA 0.189 4.658 4.470 -0.002 0.000 0.268 340 S C 0.430 174.809 174.600 -0.368 0.000 1.317 340 S CA -0.711 56.961 58.200 -0.880 0.000 1.012 340 S CB 1.213 63.774 63.200 -1.065 0.000 0.926 340 S HN 0.572 nan 8.310 nan 0.000 0.539 341 N N 0.976 119.511 118.700 -0.276 0.000 2.752 341 N HA 0.334 5.073 4.740 -0.002 0.000 0.316 341 N C -0.489 174.949 175.510 -0.121 0.000 1.343 341 N CA -0.489 52.470 53.050 -0.152 0.000 0.875 341 N CB -0.665 37.757 38.487 -0.108 0.000 1.120 341 N HN 0.588 nan 8.380 nan 0.000 0.562 342 E N -0.244 119.907 120.200 -0.083 0.000 2.425 342 E HA 0.037 4.385 4.350 -0.002 0.000 0.258 342 E C 0.082 176.642 176.600 -0.067 0.000 1.151 342 E CA 0.431 56.792 56.400 -0.065 0.000 0.958 342 E CB 0.041 29.711 29.700 -0.049 0.000 0.968 342 E HN 0.468 nan 8.360 nan 0.000 0.451 343 Q N -0.110 119.657 119.800 -0.054 0.000 2.253 343 Q HA -0.258 4.081 4.340 -0.002 0.000 0.186 343 Q C 0.787 176.756 176.000 -0.051 0.000 0.624 343 Q CA 1.369 57.144 55.803 -0.048 0.000 1.417 343 Q CB -2.314 26.397 28.738 -0.045 0.000 1.543 343 Q HN 1.093 nan 8.270 nan 0.000 0.809 344 G N 0.682 109.436 108.800 -0.077 0.000 2.323 344 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.292 344 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.292 344 G C -0.095 174.745 174.900 -0.100 0.000 1.040 344 G CA 0.929 45.967 45.100 -0.104 0.000 0.942 344 G HN 0.589 nan 8.290 nan 0.000 0.506 345 S N -1.086 114.547 115.700 -0.112 0.000 2.437 345 S HA 0.631 5.099 4.470 -0.002 0.000 0.305 345 S C 1.146 175.689 174.600 -0.096 0.000 1.109 345 S CA -0.639 57.536 58.200 -0.043 0.000 1.099 345 S CB 0.636 63.817 63.200 -0.030 0.000 1.004 345 S HN 0.283 nan 8.310 nan 0.000 0.475 346 Y N 2.969 123.250 120.300 -0.031 0.000 2.519 346 Y HA 0.193 4.742 4.550 -0.002 0.000 0.287 346 Y C 0.935 176.826 175.900 -0.015 0.000 1.128 346 Y CA 0.063 58.152 58.100 -0.018 0.000 1.282 346 Y CB 0.008 38.460 38.460 -0.013 0.000 1.027 346 Y HN 0.333 nan 8.280 nan 0.000 0.551 347 V N 1.031 121.007 119.914 0.104 0.000 2.607 347 V HA 0.371 4.490 4.120 -0.002 0.000 0.289 347 V C -0.163 175.936 176.094 0.009 0.000 1.053 347 V CA -0.810 61.518 62.300 0.046 0.000 0.996 347 V CB 1.593 33.429 31.823 0.021 0.000 0.995 347 V HN -0.180 nan 8.190 nan 0.000 0.476 348 V N 3.083 122.999 119.914 0.003 0.000 2.733 348 V HA 0.628 4.747 4.120 -0.002 0.000 0.306 348 V C 0.078 176.158 176.094 -0.024 0.000 1.084 348 V CA -0.833 61.458 62.300 -0.015 0.000 0.905 348 V CB 1.875 33.691 31.823 -0.013 0.000 1.010 348 V HN 0.986 nan 8.190 nan 0.000 0.424 349 A N 4.995 127.792 122.820 -0.038 0.000 2.404 349 A HA 0.629 4.947 4.320 -0.002 0.000 0.273 349 A C 0.650 178.197 177.584 -0.061 0.000 1.144 349 A CA -0.080 51.922 52.037 -0.059 0.000 0.806 349 A CB 0.359 19.317 19.000 -0.070 0.000 1.080 349 A HN 0.914 nan 8.150 nan 0.000 0.509 350 M N 1.108 120.667 119.600 -0.068 0.000 2.557 350 M HA 0.187 4.665 4.480 -0.002 0.000 0.262 350 M C 0.867 177.103 176.300 -0.106 0.000 1.168 350 M CA 1.123 56.386 55.300 -0.062 0.000 1.194 350 M CB 0.257 32.834 32.600 -0.037 0.000 1.311 350 M HN 0.775 nan 8.290 nan 0.000 0.489 351 E N 0.518 120.609 120.200 -0.183 0.000 2.292 351 E HA 0.286 4.634 4.350 -0.002 0.000 0.272 351 E C -1.293 174.975 176.600 -0.553 0.000 0.881 351 E CA -0.561 55.644 56.400 -0.326 0.000 0.754 351 E CB 1.915 31.410 29.700 -0.342 0.000 1.201 351 E HN 0.139 nan 8.360 nan 0.000 0.425 352 T N 0.559 114.803 114.554 -0.515 0.000 2.797 352 T HA 0.581 4.929 4.350 -0.002 0.000 0.279 352 T C -0.595 173.785 174.700 -0.535 0.000 0.991 352 T CA -0.687 61.101 62.100 -0.520 0.000 0.979 352 T CB 0.225 68.947 68.868 -0.242 0.000 0.943 352 T HN 0.237 nan 8.240 nan 0.000 0.444 353 F N 1.110 121.057 119.950 -0.004 0.000 2.411 353 F HA 0.395 4.920 4.527 -0.002 0.000 0.352 353 F C 1.217 177.008 175.800 -0.014 0.000 1.123 353 F CA -1.167 56.836 58.000 0.005 0.000 1.044 353 F CB 1.042 40.068 39.000 0.042 0.000 1.135 353 F HN 0.497 nan 8.300 nan 0.000 0.461 354 T N 2.669 117.306 114.554 0.140 0.000 2.867 354 T HA -0.135 4.214 4.350 -0.002 0.000 0.290 354 T C -0.078 174.652 174.700 0.051 0.000 1.025 354 T CA 0.642 62.772 62.100 0.049 0.000 1.146 354 T CB -0.264 68.617 68.868 0.022 0.000 1.024 354 T HN 0.528 nan 8.240 nan 0.000 0.519 355 N N 3.027 121.733 118.700 0.010 0.000 2.461 355 N HA 0.240 4.978 4.740 -0.002 0.000 0.284 355 N C 0.588 176.079 175.510 -0.030 0.000 1.049 355 N CA -0.671 52.379 53.050 0.001 0.000 0.889 355 N CB 0.772 39.263 38.487 0.007 0.000 1.365 355 N HN 0.459 nan 8.380 nan 0.000 0.499 356 L N 2.245 123.447 121.223 -0.035 0.000 2.551 356 L HA 0.212 4.550 4.340 -0.002 0.000 0.228 356 L C 1.449 178.290 176.870 -0.048 0.000 1.153 356 L CA 0.625 55.434 54.840 -0.053 0.000 0.851 356 L CB -1.238 40.789 42.059 -0.054 0.000 0.959 356 L HN 0.868 nan 8.230 nan 0.000 0.451 357 G N 0.552 109.332 108.800 -0.034 0.000 2.601 357 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 357 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 357 G C -2.589 172.292 174.900 -0.032 0.000 1.294 357 G CA -0.728 44.352 45.100 -0.033 0.000 0.912 357 G HN 0.114 nan 8.290 nan 0.000 0.574 358 P HA 0.372 nan 4.420 nan 0.000 0.270 358 P C 0.137 177.416 177.300 -0.035 0.000 1.242 358 P CA 0.061 63.141 63.100 -0.033 0.000 0.768 358 P CB 0.122 31.791 31.700 -0.050 0.000 0.820 359 I N 4.020 124.580 120.570 -0.016 0.000 2.347 359 I HA -0.002 4.167 4.170 -0.002 0.000 0.294 359 I C 1.570 177.688 176.117 0.002 0.000 1.090 359 I CA -0.103 61.187 61.300 -0.017 0.000 1.314 359 I CB 0.661 38.653 38.000 -0.013 0.000 1.423 359 I HN 0.162 nan 8.210 nan 0.000 0.503 360 V N 4.344 124.250 119.914 -0.013 0.000 2.725 360 V HA 0.051 4.170 4.120 -0.002 0.000 0.247 360 V C 0.371 176.478 176.094 0.022 0.000 1.058 360 V CA 1.262 63.562 62.300 0.001 0.000 1.080 360 V CB -0.267 31.535 31.823 -0.035 0.000 0.713 360 V HN 0.838 nan 8.190 nan 0.000 0.465 361 D N -1.206 119.202 120.400 0.012 0.000 2.653 361 D HA 0.512 5.151 4.640 -0.002 0.000 0.258 361 D C -0.934 175.381 176.300 0.025 0.000 1.252 361 D CA -0.476 53.546 54.000 0.036 0.000 0.777 361 D CB 1.722 42.550 40.800 0.047 0.000 1.339 361 D HN 0.135 nan 8.370 nan 0.000 0.422 362 M N -0.378 119.252 119.600 0.050 0.000 3.008 362 M HA 0.763 5.242 4.480 -0.002 0.000 0.271 362 M C -1.366 174.988 176.300 0.090 0.000 1.265 362 M CA -0.799 54.528 55.300 0.044 0.000 0.817 362 M CB 2.124 34.736 32.600 0.020 0.000 1.638 362 M HN 0.685 nan 8.290 nan 0.000 0.479 363 C N -0.634 118.724 119.300 0.097 0.000 3.311 363 C HA 0.901 5.360 4.460 -0.002 0.000 0.325 363 C C -0.962 174.100 174.990 0.120 0.000 1.352 363 C CA -0.788 58.316 59.018 0.142 0.000 1.308 363 C CB 1.397 29.265 27.740 0.214 0.000 1.619 363 C HN 0.823 nan 8.230 nan 0.000 0.469 364 V N 1.628 121.613 119.914 0.119 0.000 2.435 364 V HA 0.809 4.928 4.120 -0.002 0.000 0.290 364 V C -0.297 175.840 176.094 0.072 0.000 1.030 364 V CA -0.109 62.244 62.300 0.088 0.000 0.881 364 V CB 1.497 33.373 31.823 0.087 0.000 0.983 364 V HN 0.883 nan 8.190 nan 0.000 0.445 365 V N 3.131 123.062 119.914 0.028 0.000 2.932 365 V HA 0.363 4.482 4.120 -0.002 0.000 0.307 365 V C -1.175 174.896 176.094 -0.039 0.000 1.147 365 V CA -0.982 61.274 62.300 -0.073 0.000 0.951 365 V CB 2.521 34.179 31.823 -0.274 0.000 1.031 365 V HN 0.913 nan 8.190 nan 0.000 0.426 366 D N 3.903 124.288 120.400 -0.025 0.000 2.619 366 D HA 0.282 4.921 4.640 -0.002 0.000 0.224 366 D C 1.362 177.675 176.300 0.023 0.000 1.133 366 D CA -0.108 53.904 54.000 0.020 0.000 1.017 366 D CB 0.409 41.234 40.800 0.041 0.000 1.077 366 D HN 0.384 nan 8.370 nan 0.000 0.503 367 L N 0.635 121.874 121.223 0.028 0.000 2.021 367 L HA -0.226 4.112 4.340 -0.002 0.000 0.215 367 L C 1.903 178.860 176.870 0.146 0.000 1.074 367 L CA 1.250 56.132 54.840 0.068 0.000 0.760 367 L CB -0.193 41.958 42.059 0.154 0.000 0.889 367 L HN 0.261 nan 8.230 nan 0.000 0.433 368 E N 0.204 120.489 120.200 0.143 0.000 2.516 368 E HA -0.089 4.260 4.350 -0.002 0.000 0.199 368 E C 0.622 177.292 176.600 0.118 0.000 1.069 368 E CA 0.119 56.607 56.400 0.146 0.000 0.876 368 E CB -0.023 29.746 29.700 0.115 0.000 0.843 368 E HN 0.358 nan 8.360 nan 0.000 0.530 369 R N -0.082 120.480 120.500 0.104 0.000 3.989 369 R HA -0.198 4.140 4.340 -0.002 0.000 0.377 369 R C -0.260 176.077 176.300 0.062 0.000 1.158 369 R CA 0.772 56.923 56.100 0.085 0.000 1.035 369 R CB -1.965 28.392 30.300 0.094 0.000 1.557 369 R HN 0.373 nan 8.270 nan 0.000 0.551 370 Q N -0.644 119.190 119.800 0.057 0.000 2.230 370 Q HA 0.400 4.739 4.340 -0.002 0.000 0.248 370 Q C 1.482 177.504 176.000 0.037 0.000 0.915 370 Q CA 0.151 55.979 55.803 0.041 0.000 0.900 370 Q CB 0.834 29.593 28.738 0.036 0.000 1.229 370 Q HN 0.213 nan 8.270 nan 0.000 0.439 371 G N 1.412 110.229 108.800 0.028 0.000 2.689 371 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.216 371 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.216 371 G C 0.451 175.366 174.900 0.026 0.000 1.119 371 G CA 0.889 46.004 45.100 0.025 0.000 0.732 371 G HN 0.644 nan 8.290 nan 0.000 0.576 372 Q N -0.218 119.599 119.800 0.027 0.000 2.370 372 Q HA 0.609 4.947 4.340 -0.002 0.000 0.186 372 Q C 0.264 176.286 176.000 0.036 0.000 1.093 372 Q CA -0.204 55.615 55.803 0.028 0.000 1.142 372 Q CB 0.146 28.900 28.738 0.027 0.000 1.175 372 Q HN 0.127 nan 8.270 nan 0.000 0.625 373 G N -0.935 107.889 108.800 0.039 0.000 2.638 373 G HA2 0.554 4.513 3.960 -0.002 0.000 0.302 373 G HA3 0.554 4.513 3.960 -0.002 0.000 0.302 373 G C -1.548 173.379 174.900 0.045 0.000 1.365 373 G CA -0.797 44.329 45.100 0.043 0.000 0.987 373 G HN 0.427 nan 8.290 nan 0.000 0.495 374 Q N 0.472 120.300 119.800 0.047 0.000 2.365 374 Q HA 0.458 4.797 4.340 -0.002 0.000 0.269 374 Q C -0.719 175.305 176.000 0.040 0.000 1.061 374 Q CA -0.778 55.053 55.803 0.048 0.000 0.816 374 Q CB 3.161 31.939 28.738 0.067 0.000 1.325 374 Q HN 0.416 nan 8.270 nan 0.000 0.446 375 L N 2.368 123.604 121.223 0.021 0.000 2.305 375 L HA 0.448 4.787 4.340 -0.002 0.000 0.281 375 L C -0.932 175.926 176.870 -0.021 0.000 1.085 375 L CA -0.616 54.227 54.840 0.005 0.000 0.813 375 L CB 1.206 43.255 42.059 -0.016 0.000 1.157 375 L HN 0.369 nan 8.230 nan 0.000 0.436 376 V N 2.569 122.467 119.914 -0.027 0.000 2.409 376 V HA 0.425 4.543 4.120 -0.002 0.000 0.291 376 V C 0.131 176.163 176.094 -0.102 0.000 1.020 376 V CA -0.518 61.718 62.300 -0.108 0.000 0.848 376 V CB 1.951 33.649 31.823 -0.209 0.000 0.990 376 V HN 0.866 nan 8.190 nan 0.000 0.430 377 T N 1.131 115.610 114.554 -0.125 0.000 2.863 377 T HA 0.448 4.797 4.350 -0.002 0.000 0.285 377 T C -0.348 174.285 174.700 -0.112 0.000 1.009 377 T CA -0.629 61.415 62.100 -0.094 0.000 0.989 377 T CB 1.276 70.096 68.868 -0.079 0.000 1.004 377 T HN 0.556 nan 8.240 nan 0.000 0.455 378 C N 3.389 122.639 119.300 -0.083 0.000 2.464 378 C HA 0.683 5.142 4.460 -0.002 0.000 0.370 378 C C 0.757 175.693 174.990 -0.090 0.000 1.267 378 C CA -0.347 58.617 59.018 -0.090 0.000 1.781 378 C CB -1.236 26.464 27.740 -0.067 0.000 2.431 378 C HN 0.942 nan 8.230 nan 0.000 0.556 379 S N 1.567 117.202 115.700 -0.110 0.000 2.568 379 S HA 0.911 5.379 4.470 -0.002 0.000 0.293 379 S C 0.235 174.766 174.600 -0.114 0.000 1.089 379 S CA 0.492 58.630 58.200 -0.102 0.000 0.945 379 S CB 1.804 64.943 63.200 -0.102 0.000 1.077 379 S HN 1.551 nan 8.310 nan 0.000 0.485 380 G N 0.865 109.604 108.800 -0.101 0.000 2.760 380 G HA2 0.395 4.353 3.960 -0.002 0.000 0.246 380 G HA3 0.395 4.353 3.960 -0.002 0.000 0.246 380 G C -0.536 174.274 174.900 -0.151 0.000 1.359 380 G CA -0.278 44.759 45.100 -0.104 0.000 0.861 380 G HN 1.525 nan 8.290 nan 0.000 0.541 381 A N -1.455 121.270 122.820 -0.157 0.000 2.594 381 A HA 1.044 5.363 4.320 -0.002 0.000 0.291 381 A C 0.384 177.862 177.584 -0.177 0.000 1.105 381 A CA 0.448 52.270 52.037 -0.357 0.000 0.694 381 A CB 0.480 19.168 19.000 -0.521 0.000 1.291 381 A HN 2.281 nan 8.150 nan 0.000 0.410 382 F N 0.052 119.979 119.950 -0.038 0.000 2.976 382 F HA -0.412 4.114 4.527 -0.002 0.000 0.231 382 F C 2.347 178.134 175.800 -0.021 0.000 1.102 382 F CA 1.847 59.833 58.000 -0.023 0.000 1.448 382 F CB -0.472 38.522 39.000 -0.010 0.000 0.701 382 F HN 0.773 nan 8.300 nan 0.000 0.507 383 K N 0.910 121.446 120.400 0.227 0.000 2.283 383 K HA -0.146 4.173 4.320 -0.002 0.000 0.202 383 K C 1.306 177.938 176.600 0.053 0.000 1.048 383 K CA 2.099 58.472 56.287 0.143 0.000 0.948 383 K CB -0.213 32.374 32.500 0.145 0.000 0.742 383 K HN 0.576 nan 8.250 nan 0.000 0.458 384 E N 0.994 121.214 120.200 0.033 0.000 2.481 384 E HA 0.097 4.445 4.350 -0.002 0.000 0.195 384 E C 0.343 176.875 176.600 -0.113 0.000 1.047 384 E CA 0.208 56.585 56.400 -0.038 0.000 0.867 384 E CB 0.147 29.851 29.700 0.006 0.000 0.858 384 E HN 0.480 nan 8.360 nan 0.000 0.513 385 G N 0.413 109.139 108.800 -0.123 0.000 2.414 385 G HA2 0.283 4.242 3.960 -0.002 0.000 0.236 385 G HA3 0.283 4.242 3.960 -0.002 0.000 0.236 385 G C -0.071 174.703 174.900 -0.209 0.000 1.293 385 G CA 0.489 45.492 45.100 -0.161 0.000 0.869 385 G HN 0.204 nan 8.290 nan 0.000 0.556 386 S N 0.832 116.421 115.700 -0.185 0.000 2.661 386 S HA 0.624 5.093 4.470 -0.002 0.000 0.268 386 S C -1.054 173.442 174.600 -0.174 0.000 1.162 386 S CA -1.078 57.002 58.200 -0.200 0.000 0.817 386 S CB 1.065 64.138 63.200 -0.212 0.000 1.141 386 S HN 0.578 nan 8.310 nan 0.000 0.477 387 L N 1.269 122.378 121.223 -0.190 0.000 2.317 387 L HA 0.680 5.019 4.340 -0.002 0.000 0.281 387 L C -0.198 176.528 176.870 -0.241 0.000 1.024 387 L CA -0.911 53.804 54.840 -0.209 0.000 0.810 387 L CB 1.460 43.384 42.059 -0.225 0.000 1.240 387 L HN 0.589 nan 8.230 nan 0.000 0.427 388 R N 3.269 123.638 120.500 -0.218 0.000 2.534 388 R HA 0.546 4.885 4.340 -0.002 0.000 0.301 388 R C -1.112 175.055 176.300 -0.221 0.000 0.961 388 R CA -0.933 55.036 56.100 -0.220 0.000 0.871 388 R CB 2.270 32.471 30.300 -0.164 0.000 1.170 388 R HN 0.377 nan 8.270 nan 0.000 0.446 389 I N 4.048 124.470 120.570 -0.247 0.000 2.307 389 I HA 0.288 4.456 4.170 -0.002 0.000 0.289 389 I C 0.037 176.089 176.117 -0.109 0.000 1.021 389 I CA -0.270 60.930 61.300 -0.166 0.000 1.224 389 I CB 0.693 38.590 38.000 -0.171 0.000 1.376 389 I HN 0.371 nan 8.210 nan 0.000 0.470 390 I N 6.669 127.200 120.570 -0.065 0.000 2.392 390 I HA 0.554 4.723 4.170 -0.002 0.000 0.295 390 I C 0.144 176.268 176.117 0.011 0.000 0.985 390 I CA -0.311 60.962 61.300 -0.044 0.000 1.221 390 I CB 1.007 38.979 38.000 -0.047 0.000 1.366 390 I HN 0.475 nan 8.210 nan 0.000 0.467 391 R N 4.608 125.139 120.500 0.053 0.000 2.725 391 R HA 0.440 4.778 4.340 -0.002 0.000 0.277 391 R C -1.466 174.884 176.300 0.085 0.000 0.987 391 R CA -0.708 55.442 56.100 0.084 0.000 0.901 391 R CB 1.895 32.276 30.300 0.135 0.000 1.207 391 R HN 0.594 nan 8.270 nan 0.000 0.463 392 N N 0.553 119.289 118.700 0.060 0.000 2.487 392 N HA 0.440 5.179 4.740 -0.002 0.000 0.292 392 N C -0.182 175.350 175.510 0.036 0.000 1.108 392 N CA 1.348 54.429 53.050 0.052 0.000 0.956 392 N CB 1.475 39.990 38.487 0.045 0.000 1.176 392 N HN 0.850 nan 8.380 nan 0.000 0.484 393 G N 1.329 110.149 108.800 0.033 0.000 2.828 393 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.463 393 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.463 393 G C -0.605 174.295 174.900 -0.001 0.000 1.394 393 G CA -0.667 44.441 45.100 0.012 0.000 0.862 393 G HN 0.481 nan 8.290 nan 0.000 0.540 394 I N 1.235 121.798 120.570 -0.012 0.000 2.488 394 I HA 0.674 4.843 4.170 -0.002 0.000 0.299 394 I C 1.227 177.303 176.117 -0.069 0.000 0.984 394 I CA 0.565 61.847 61.300 -0.030 0.000 1.250 394 I CB 0.728 38.743 38.000 0.024 0.000 1.389 394 I HN 1.066 nan 8.210 nan 0.000 0.488 395 G N 5.394 114.119 108.800 -0.126 0.000 2.630 395 G HA2 0.823 4.781 3.960 -0.002 0.000 0.296 395 G HA3 0.823 4.781 3.960 -0.002 0.000 0.296 395 G C -1.068 173.704 174.900 -0.213 0.000 1.285 395 G CA -0.598 44.400 45.100 -0.170 0.000 0.958 395 G HN 0.648 nan 8.290 nan 0.000 0.479 396 I N -1.578 118.840 120.570 -0.253 0.000 2.548 396 I HA 0.441 4.609 4.170 -0.002 0.000 0.287 396 I C -1.279 174.672 176.117 -0.276 0.000 1.103 396 I CA -1.045 60.118 61.300 -0.229 0.000 1.049 396 I CB 2.151 40.068 38.000 -0.139 0.000 1.232 396 I HN 0.368 nan 8.210 nan 0.000 0.429 397 H N 5.121 124.185 119.070 -0.010 0.000 2.767 397 H HA 0.358 4.913 4.556 -0.002 0.000 0.316 397 H C -0.517 174.809 175.328 -0.004 0.000 1.059 397 H CA 0.043 56.114 56.048 0.038 0.000 1.461 397 H CB 1.246 31.073 29.762 0.107 0.000 1.475 397 H HN 0.649 nan 8.280 nan 0.000 0.531 398 E N 1.839 122.130 120.200 0.151 0.000 2.277 398 E HA 0.196 4.545 4.350 -0.002 0.000 0.274 398 E C 0.172 176.938 176.600 0.276 0.000 1.022 398 E CA -0.292 56.140 56.400 0.054 0.000 0.853 398 E CB 1.386 31.113 29.700 0.044 0.000 1.086 398 E HN 0.746 nan 8.360 nan 0.000 0.397 399 H N 0.623 119.754 119.070 0.103 0.000 2.027 399 H HA 0.358 4.912 4.556 -0.002 0.000 0.209 399 H C -0.331 175.079 175.328 0.137 0.000 0.903 399 H CA -0.345 55.786 56.048 0.138 0.000 1.078 399 H CB 0.734 30.641 29.762 0.242 0.000 1.248 399 H HN 0.425 nan 8.280 nan 0.000 0.432 400 A N 1.303 124.271 122.820 0.246 0.000 2.291 400 A HA 0.544 4.862 4.320 -0.002 0.000 0.311 400 A C -0.744 176.864 177.584 0.041 0.000 1.224 400 A CA -0.338 51.791 52.037 0.153 0.000 0.821 400 A CB 1.150 20.259 19.000 0.182 0.000 1.172 400 A HN 0.209 nan 8.150 nan 0.000 0.494 401 S N 2.408 118.133 115.700 0.041 0.000 2.640 401 S HA 0.584 5.052 4.470 -0.002 0.000 0.320 401 S C -0.714 173.893 174.600 0.012 0.000 1.097 401 S CA -0.349 57.857 58.200 0.011 0.000 1.092 401 S CB -0.163 63.045 63.200 0.013 0.000 0.988 401 S HN 0.517 nan 8.310 nan 0.000 0.470 402 I N 3.436 124.006 120.570 -0.001 0.000 2.353 402 I HA 0.267 4.435 4.170 -0.002 0.000 0.293 402 I C 0.263 176.375 176.117 -0.008 0.000 0.992 402 I CA -0.324 60.977 61.300 0.001 0.000 1.268 402 I CB 1.145 39.145 38.000 0.001 0.000 1.387 402 I HN 0.459 nan 8.210 nan 0.000 0.478 403 D N 6.447 126.843 120.400 -0.008 0.000 2.662 403 D HA 0.086 4.725 4.640 -0.002 0.000 0.228 403 D C -0.505 175.777 176.300 -0.031 0.000 1.093 403 D CA 0.148 54.138 54.000 -0.017 0.000 1.075 403 D CB 0.236 41.027 40.800 -0.014 0.000 1.122 403 D HN 0.114 nan 8.370 nan 0.000 0.475 404 L N 2.569 123.770 121.223 -0.037 0.000 2.335 404 L HA 0.367 4.706 4.340 -0.002 0.000 0.268 404 L C -2.306 174.509 176.870 -0.091 0.000 1.037 404 L CA -1.916 52.885 54.840 -0.064 0.000 0.895 404 L CB 1.135 43.172 42.059 -0.036 0.000 1.266 404 L HN -0.108 nan 8.230 nan 0.000 0.439 405 P HA -0.054 nan 4.420 nan 0.000 0.279 405 P C -0.095 177.112 177.300 -0.156 0.000 1.452 405 P CA 0.396 63.424 63.100 -0.121 0.000 1.090 405 P CB 0.183 31.805 31.700 -0.130 0.000 1.134 406 G N -0.279 108.439 108.800 -0.137 0.000 2.934 406 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.327 406 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.327 406 G C -0.424 174.432 174.900 -0.073 0.000 0.225 406 G CA 0.359 45.395 45.100 -0.106 0.000 1.220 406 G HN 0.316 nan 8.290 nan 0.000 0.267 407 I N 2.716 123.337 120.570 0.084 0.000 2.534 407 I HA 0.261 4.430 4.170 -0.002 0.000 0.286 407 I C 0.194 176.350 176.117 0.066 0.000 1.094 407 I CA -0.991 60.415 61.300 0.178 0.000 1.055 407 I CB 2.124 40.195 38.000 0.119 0.000 1.225 407 I HN 0.197 nan 8.210 nan 0.000 0.435 408 K N 3.928 124.292 120.400 -0.061 0.000 2.372 408 K HA 0.490 4.808 4.320 -0.002 0.000 0.200 408 K C 0.356 176.395 176.600 -0.937 0.000 1.022 408 K CA -0.112 55.967 56.287 -0.346 0.000 1.125 408 K CB 1.269 33.711 32.500 -0.097 0.000 0.855 408 K HN 0.892 nan 8.250 nan 0.000 0.524 409 G N 0.219 108.531 108.800 -0.814 0.000 2.368 409 G HA2 0.523 4.482 3.960 -0.002 0.000 0.293 409 G HA3 0.523 4.482 3.960 -0.002 0.000 0.293 409 G C -1.988 172.281 174.900 -1.052 0.000 1.467 409 G CA -0.829 43.610 45.100 -1.102 0.000 0.804 409 G HN 0.013 nan 8.290 nan 0.000 0.535 410 L N 0.316 120.559 121.223 -1.633 0.000 2.614 410 L HA 0.566 4.905 4.340 -0.002 0.000 0.264 410 L C -1.297 174.742 176.870 -1.386 0.000 0.940 410 L CA -0.537 53.644 54.840 -1.098 0.000 0.903 410 L CB 2.006 43.729 42.059 -0.559 0.000 1.306 410 L HN 0.618 nan 8.230 nan 0.000 0.410 411 W N 2.628 123.811 121.300 -0.195 0.000 2.998 411 W HA 0.412 5.070 4.660 -0.002 0.000 0.335 411 W C -2.482 173.960 176.519 -0.129 0.000 1.110 411 W CA -1.796 55.423 57.345 -0.209 0.000 1.230 411 W CB 1.787 31.066 29.460 -0.302 0.000 1.405 411 W HN 0.129 nan 8.180 nan 0.000 0.493 412 P HA -0.009 nan 4.420 nan 0.000 0.272 412 P C -0.721 176.657 177.300 0.131 0.000 1.225 412 P CA 0.208 63.273 63.100 -0.057 0.000 0.800 412 P CB 0.610 32.178 31.700 -0.221 0.000 0.894 413 L N 0.529 121.885 121.223 0.222 0.000 2.639 413 L HA 0.320 4.659 4.340 -0.002 0.000 0.264 413 L C -0.645 176.443 176.870 0.363 0.000 0.948 413 L CA -0.250 54.783 54.840 0.321 0.000 0.912 413 L CB 1.315 43.508 42.059 0.223 0.000 1.294 413 L HN 0.228 nan 8.230 nan 0.000 0.412 414 R N 2.721 123.406 120.500 0.310 0.000 2.369 414 R HA 0.302 4.641 4.340 -0.002 0.000 0.310 414 R C 0.193 176.526 176.300 0.055 0.000 1.141 414 R CA 0.051 56.208 56.100 0.094 0.000 1.116 414 R CB 1.007 31.263 30.300 -0.073 0.000 1.135 414 R HN 0.752 nan 8.270 nan 0.000 0.529 415 S N 2.430 118.158 115.700 0.048 0.000 2.603 415 S HA -0.017 4.451 4.470 -0.002 0.000 0.229 415 S C 0.042 174.640 174.600 -0.004 0.000 0.972 415 S CA 0.497 58.707 58.200 0.017 0.000 0.935 415 S CB -0.075 63.133 63.200 0.015 0.000 0.769 415 S HN 0.619 nan 8.310 nan 0.000 0.536 416 D N 0.343 120.736 120.400 -0.011 0.000 2.487 416 D HA 0.406 5.044 4.640 -0.002 0.000 0.262 416 D C -1.648 174.640 176.300 -0.019 0.000 1.130 416 D CA -1.771 52.218 54.000 -0.018 0.000 1.038 416 D CB 0.590 41.375 40.800 -0.025 0.000 1.142 416 D HN -0.018 nan 8.370 nan 0.000 0.575 417 P HA 0.008 nan 4.420 nan 0.000 0.224 417 P C -0.166 177.119 177.300 -0.024 0.000 1.268 417 P CA 0.403 63.493 63.100 -0.017 0.000 0.686 417 P CB 0.256 31.946 31.700 -0.016 0.000 0.830 418 N N 0.317 119.002 118.700 -0.026 0.000 3.301 418 N HA 0.140 4.879 4.740 -0.002 0.000 0.289 418 N C -0.020 175.468 175.510 -0.036 0.000 1.343 418 N CA 0.106 53.137 53.050 -0.032 0.000 1.136 418 N CB -0.133 38.340 38.487 -0.024 0.000 1.402 418 N HN 0.194 nan 8.380 nan 0.000 0.516 419 R N 0.601 121.072 120.500 -0.048 0.000 2.586 419 R HA 0.159 4.498 4.340 -0.002 0.000 0.336 419 R C -0.338 175.913 176.300 -0.083 0.000 1.060 419 R CA -0.401 55.669 56.100 -0.050 0.000 1.079 419 R CB 0.349 30.625 30.300 -0.039 0.000 1.317 419 R HN 0.217 nan 8.270 nan 0.000 0.568 420 E N 0.250 120.381 120.200 -0.116 0.000 9.216 420 E HA -0.263 4.086 4.350 -0.002 0.000 0.459 420 E C 0.005 176.405 176.600 -0.334 0.000 1.406 420 E CA 1.566 57.859 56.400 -0.179 0.000 2.442 420 E CB -0.201 29.445 29.700 -0.090 0.000 1.033 420 E HN 0.500 nan 8.360 nan 0.000 0.376 421 T N -3.082 111.155 114.554 -0.529 0.000 0.541 421 T HA -0.245 4.104 4.350 -0.002 0.000 0.774 421 T C -0.477 173.573 174.700 -1.084 0.000 0.992 421 T CA 1.162 62.878 62.100 -0.641 0.000 4.077 421 T CB -0.912 67.898 68.868 -0.097 0.000 2.303 421 T HN 1.129 nan 8.240 nan 0.000 0.398 422 Y N 0.363 120.703 120.300 0.066 0.000 2.552 422 Y HA 0.628 5.176 4.550 -0.002 0.000 0.337 422 Y C 0.398 176.341 175.900 0.071 0.000 1.094 422 Y CA -0.574 57.567 58.100 0.069 0.000 1.028 422 Y CB 1.678 40.182 38.460 0.073 0.000 1.321 422 Y HN 0.933 nan 8.280 nan 0.000 0.456 423 D N -1.455 119.063 120.400 0.197 0.000 2.538 423 D HA 0.205 4.844 4.640 -0.002 0.000 0.241 423 D C -0.588 175.785 176.300 0.121 0.000 1.297 423 D CA 0.034 54.116 54.000 0.138 0.000 0.804 423 D CB 0.689 41.541 40.800 0.085 0.000 1.122 423 D HN 0.418 nan 8.370 nan 0.000 0.519 424 T N 0.474 115.107 114.554 0.133 0.000 2.982 424 T HA 0.517 4.865 4.350 -0.002 0.000 0.321 424 T C -1.692 173.072 174.700 0.107 0.000 1.229 424 T CA -0.527 61.636 62.100 0.105 0.000 1.044 424 T CB 2.078 71.002 68.868 0.094 0.000 1.184 424 T HN 0.037 nan 8.240 nan 0.000 0.477 425 L N 2.975 124.244 121.223 0.076 0.000 2.362 425 L HA 0.832 5.171 4.340 -0.002 0.000 0.271 425 L C -1.126 175.787 176.870 0.071 0.000 1.002 425 L CA -0.600 54.277 54.840 0.061 0.000 0.818 425 L CB 2.021 44.078 42.059 -0.003 0.000 1.298 425 L HN 0.486 nan 8.230 nan 0.000 0.420 426 V N 5.192 125.168 119.914 0.103 0.000 2.495 426 V HA 0.486 4.605 4.120 -0.002 0.000 0.298 426 V C -0.467 175.674 176.094 0.078 0.000 1.031 426 V CA -0.628 61.736 62.300 0.106 0.000 0.871 426 V CB 1.614 33.539 31.823 0.169 0.000 0.988 426 V HN 0.506 nan 8.190 nan 0.000 0.432 427 L N 4.156 125.344 121.223 -0.059 0.000 2.316 427 L HA 0.541 4.880 4.340 -0.002 0.000 0.280 427 L C 0.407 176.995 176.870 -0.469 0.000 1.006 427 L CA -0.461 54.276 54.840 -0.172 0.000 0.836 427 L CB 1.668 43.713 42.059 -0.024 0.000 1.221 427 L HN 0.701 nan 8.230 nan 0.000 0.418 428 S N 2.182 117.753 115.700 -0.215 0.000 2.531 428 S HA 0.599 5.067 4.470 -0.002 0.000 0.279 428 S C -0.466 173.991 174.600 -0.238 0.000 1.305 428 S CA -0.455 57.596 58.200 -0.249 0.000 1.058 428 S CB 0.177 63.391 63.200 0.023 0.000 0.899 428 S HN 0.361 nan 8.310 nan 0.000 0.493 429 F N 0.806 120.721 119.950 -0.059 0.000 2.541 429 F HA 0.420 4.946 4.527 -0.002 0.000 0.331 429 F C 1.672 177.433 175.800 -0.066 0.000 1.057 429 F CA -1.813 56.153 58.000 -0.057 0.000 0.975 429 F CB 0.805 39.785 39.000 -0.033 0.000 1.246 429 F HN 0.354 nan 8.300 nan 0.000 0.484 430 V N 1.667 121.691 119.914 0.183 0.000 2.477 430 V HA -0.420 3.699 4.120 -0.002 0.000 0.216 430 V C 1.661 177.784 176.094 0.049 0.000 0.995 430 V CA 2.564 64.920 62.300 0.095 0.000 1.088 430 V CB -1.363 30.511 31.823 0.083 0.000 0.980 430 V HN 1.097 nan 8.190 nan 0.000 0.487 431 G N -1.124 107.711 108.800 0.058 0.000 4.165 431 G HA2 0.453 4.411 3.960 -0.002 0.000 0.287 431 G HA3 0.453 4.411 3.960 -0.002 0.000 0.287 431 G C -0.022 174.885 174.900 0.011 0.000 1.019 431 G CA -0.148 44.962 45.100 0.015 0.000 0.806 431 G HN 0.529 nan 8.290 nan 0.000 0.447 432 Q N -0.208 119.616 119.800 0.039 0.000 2.445 432 Q HA 0.657 4.995 4.340 -0.002 0.000 0.281 432 Q C -1.261 174.653 176.000 -0.144 0.000 1.101 432 Q CA -0.579 55.239 55.803 0.025 0.000 0.833 432 Q CB 2.402 31.260 28.738 0.199 0.000 1.416 432 Q HN 0.076 nan 8.270 nan 0.000 0.451 433 T N 1.416 115.857 114.554 -0.189 0.000 3.050 433 T HA 0.419 4.768 4.350 -0.002 0.000 0.310 433 T C -0.851 173.704 174.700 -0.241 0.000 0.978 433 T CA -0.562 61.349 62.100 -0.314 0.000 1.013 433 T CB 0.809 69.558 68.868 -0.198 0.000 1.000 433 T HN 0.305 nan 8.240 nan 0.000 0.447 434 R N 2.469 122.729 120.500 -0.399 0.000 2.358 434 R HA 0.549 4.887 4.340 -0.002 0.000 0.309 434 R C -0.289 175.990 176.300 -0.035 0.000 1.026 434 R CA -0.518 55.529 56.100 -0.089 0.000 0.909 434 R CB 1.086 31.481 30.300 0.159 0.000 1.153 434 R HN 0.440 nan 8.270 nan 0.000 0.515 435 V N 5.078 125.007 119.914 0.026 0.000 2.872 435 V HA 0.039 4.158 4.120 -0.002 0.000 0.307 435 V C 1.058 177.191 176.094 0.064 0.000 1.072 435 V CA 0.280 62.619 62.300 0.065 0.000 1.148 435 V CB 0.530 32.405 31.823 0.088 0.000 0.954 435 V HN 0.645 nan 8.190 nan 0.000 0.490 436 L N 2.754 124.017 121.223 0.067 0.000 2.783 436 L HA 0.723 5.062 4.340 -0.002 0.000 0.205 436 L C 0.066 176.970 176.870 0.057 0.000 1.985 436 L CA -0.513 54.364 54.840 0.063 0.000 2.546 436 L CB 0.593 42.689 42.059 0.061 0.000 2.829 436 L HN 0.584 nan 8.230 nan 0.000 0.614 437 M N 0.484 120.121 119.600 0.062 0.000 2.860 437 M HA 0.325 4.804 4.480 -0.002 0.000 0.270 437 M C -2.490 173.856 176.300 0.077 0.000 0.988 437 M CA -0.272 55.066 55.300 0.062 0.000 0.807 437 M CB 1.606 34.236 32.600 0.048 0.000 1.708 437 M HN 0.314 nan 8.290 nan 0.000 0.558 438 L N 3.592 124.867 121.223 0.087 0.000 2.518 438 L HA 0.430 4.768 4.340 -0.002 0.000 0.262 438 L C 0.425 177.349 176.870 0.090 0.000 0.982 438 L CA -0.354 54.553 54.840 0.113 0.000 0.873 438 L CB 1.539 43.697 42.059 0.166 0.000 1.198 438 L HN 0.708 nan 8.230 nan 0.000 0.427 439 N N 2.450 121.192 118.700 0.070 0.000 2.623 439 N HA 0.220 4.959 4.740 -0.002 0.000 0.263 439 N C 0.554 176.090 175.510 0.045 0.000 1.218 439 N CA 0.969 54.048 53.050 0.048 0.000 0.949 439 N CB 0.525 39.033 38.487 0.036 0.000 1.270 439 N HN 0.993 nan 8.380 nan 0.000 0.507 440 G N 0.967 109.806 108.800 0.065 0.000 2.214 440 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.200 440 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.200 440 G C 0.088 175.009 174.900 0.036 0.000 1.126 440 G CA -0.307 44.807 45.100 0.024 0.000 1.284 440 G HN 0.356 nan 8.290 nan 0.000 0.493 441 E N 1.662 121.832 120.200 -0.049 0.000 2.474 441 E HA 0.138 4.487 4.350 -0.002 0.000 0.194 441 E C 0.214 176.924 176.600 0.184 0.000 1.041 441 E CA 0.016 56.411 56.400 -0.009 0.000 0.874 441 E CB 0.339 29.954 29.700 -0.142 0.000 0.914 441 E HN 0.535 nan 8.360 nan 0.000 0.498 442 E N 1.356 121.629 120.200 0.122 0.000 2.465 442 E HA 0.043 4.392 4.350 -0.002 0.000 0.260 442 E C -0.008 176.668 176.600 0.127 0.000 0.980 442 E CA 0.223 56.687 56.400 0.106 0.000 0.927 442 E CB 1.519 31.263 29.700 0.072 0.000 0.934 442 E HN -0.130 nan 8.360 nan 0.000 0.459 443 V N 2.832 122.804 119.914 0.097 0.000 2.468 443 V HA 0.170 4.289 4.120 -0.002 0.000 0.256 443 V C 0.375 176.507 176.094 0.063 0.000 0.998 443 V CA -0.497 61.853 62.300 0.083 0.000 1.114 443 V CB 0.398 32.267 31.823 0.076 0.000 1.378 443 V HN 0.490 nan 8.190 nan 0.000 0.573 444 E N 2.211 122.447 120.200 0.059 0.000 2.351 444 E HA 0.445 4.793 4.350 -0.002 0.000 0.255 444 E C -0.284 176.348 176.600 0.053 0.000 1.188 444 E CA -0.448 55.982 56.400 0.050 0.000 0.940 444 E CB 1.163 30.889 29.700 0.043 0.000 1.094 444 E HN 0.811 nan 8.360 nan 0.000 0.474 445 E N 0.019 120.249 120.200 0.051 0.000 2.235 445 E HA 0.351 4.700 4.350 -0.002 0.000 0.252 445 E C -1.298 175.330 176.600 0.047 0.000 0.886 445 E CA -0.782 55.652 56.400 0.057 0.000 0.767 445 E CB 1.436 31.178 29.700 0.071 0.000 1.205 445 E HN 0.334 nan 8.360 nan 0.000 0.421 446 T N 0.215 114.794 114.554 0.042 0.000 2.933 446 T HA 0.421 4.769 4.350 -0.002 0.000 0.305 446 T C -0.178 174.539 174.700 0.028 0.000 1.092 446 T CA -1.111 61.008 62.100 0.032 0.000 1.008 446 T CB 1.503 70.385 68.868 0.024 0.000 1.102 446 T HN 0.564 nan 8.240 nan 0.000 0.469 447 E N 2.084 122.299 120.200 0.025 0.000 2.385 447 E HA 0.549 4.897 4.350 -0.002 0.000 0.254 447 E C -0.889 175.702 176.600 -0.015 0.000 1.228 447 E CA -0.972 55.441 56.400 0.021 0.000 0.956 447 E CB 0.535 30.256 29.700 0.034 0.000 1.116 447 E HN 0.374 nan 8.360 nan 0.000 0.507 448 L N 0.906 122.100 121.223 -0.048 0.000 2.325 448 L HA 0.182 4.520 4.340 -0.002 0.000 0.279 448 L C 0.563 177.383 176.870 -0.084 0.000 1.054 448 L CA -0.469 54.293 54.840 -0.130 0.000 0.804 448 L CB 1.299 43.144 42.059 -0.356 0.000 1.200 448 L HN 0.633 nan 8.230 nan 0.000 0.436 449 M N 2.927 122.480 119.600 -0.079 0.000 3.759 449 M HA 0.218 4.697 4.480 -0.002 0.000 0.190 449 M C 0.586 176.856 176.300 -0.051 0.000 1.478 449 M CA 0.327 55.601 55.300 -0.044 0.000 1.691 449 M CB -1.286 31.295 32.600 -0.031 0.000 1.113 449 M HN 0.826 nan 8.290 nan 0.000 0.542 450 G N -0.299 108.470 108.800 -0.053 0.000 4.449 450 G HA2 0.061 4.020 3.960 -0.002 0.000 0.195 450 G HA3 0.061 4.020 3.960 -0.002 0.000 0.195 450 G C -0.355 174.673 174.900 0.213 0.000 0.806 450 G CA -0.257 44.840 45.100 -0.003 0.000 0.774 450 G HN 0.326 nan 8.290 nan 0.000 0.508 451 F N 0.735 120.682 119.950 -0.006 0.000 2.613 451 F HA 0.781 5.307 4.527 -0.002 0.000 0.342 451 F C 0.267 176.054 175.800 -0.022 0.000 1.066 451 F CA -2.273 55.717 58.000 -0.017 0.000 1.002 451 F CB 1.616 40.602 39.000 -0.022 0.000 1.319 451 F HN -0.142 nan 8.300 nan 0.000 0.495 452 V N 1.462 121.464 119.914 0.146 0.000 2.435 452 V HA 0.241 4.360 4.120 -0.002 0.000 0.290 452 V C 0.459 176.568 176.094 0.024 0.000 1.030 452 V CA -0.667 61.664 62.300 0.051 0.000 0.881 452 V CB 1.410 33.231 31.823 -0.004 0.000 0.983 452 V HN 0.813 nan 8.190 nan 0.000 0.445 453 D N 2.285 122.701 120.400 0.027 0.000 2.367 453 D HA -0.055 4.584 4.640 -0.002 0.000 0.207 453 D C 0.344 176.649 176.300 0.008 0.000 1.034 453 D CA 0.374 54.385 54.000 0.017 0.000 0.861 453 D CB 0.465 41.287 40.800 0.037 0.000 0.943 453 D HN 0.697 nan 8.370 nan 0.000 0.515 454 D N 0.313 120.715 120.400 0.002 0.000 2.772 454 D HA 0.085 4.723 4.640 -0.002 0.000 0.272 454 D C -0.313 175.977 176.300 -0.017 0.000 1.314 454 D CA -0.364 53.638 54.000 0.003 0.000 0.835 454 D CB 0.087 40.894 40.800 0.012 0.000 1.080 454 D HN -0.075 nan 8.370 nan 0.000 0.482 455 Q N 1.009 120.781 119.800 -0.047 0.000 2.650 455 Q HA 0.112 4.450 4.340 -0.002 0.000 0.239 455 Q C -0.774 175.144 176.000 -0.137 0.000 0.893 455 Q CA -0.292 55.468 55.803 -0.073 0.000 0.755 455 Q CB 2.090 30.789 28.738 -0.065 0.000 1.349 455 Q HN 0.433 nan 8.270 nan 0.000 0.461 456 Q N 1.497 121.205 119.800 -0.154 0.000 2.549 456 Q HA -0.034 4.304 4.340 -0.002 0.000 0.347 456 Q C -0.629 175.142 176.000 -0.382 0.000 1.081 456 Q CA 0.949 56.597 55.803 -0.258 0.000 1.093 456 Q CB 0.583 29.158 28.738 -0.272 0.000 1.067 456 Q HN 0.354 nan 8.270 nan 0.000 0.398 457 T N 4.104 118.430 114.554 -0.379 0.000 2.909 457 T HA 0.302 4.650 4.350 -0.002 0.000 0.286 457 T C -0.152 174.243 174.700 -0.508 0.000 1.002 457 T CA -0.354 61.498 62.100 -0.413 0.000 1.074 457 T CB 0.367 68.982 68.868 -0.422 0.000 0.984 457 T HN 0.477 nan 8.240 nan 0.000 0.495 458 F N 1.607 121.412 119.950 -0.241 0.000 2.661 458 F HA 0.539 5.065 4.527 -0.002 0.000 0.306 458 F C -0.111 175.481 175.800 -0.346 0.000 1.094 458 F CA -0.607 57.321 58.000 -0.121 0.000 1.254 458 F CB 0.311 39.321 39.000 0.016 0.000 1.040 458 F HN 0.432 nan 8.300 nan 0.000 0.562 459 F N -1.035 118.264 119.950 -1.085 0.000 2.689 459 F HA 0.342 4.867 4.527 -0.002 0.000 0.314 459 F C -1.353 173.680 175.800 -1.279 0.000 1.068 459 F CA -1.423 55.746 58.000 -1.385 0.000 1.023 459 F CB 0.669 39.342 39.000 -0.545 0.000 1.264 459 F HN -0.316 nan 8.300 nan 0.000 0.474 460 C N 4.763 123.431 119.300 -1.052 0.000 3.392 460 C HA 0.715 5.174 4.460 -0.002 0.000 0.217 460 C C 0.271 175.317 174.990 0.093 0.000 1.222 460 C CA 0.392 59.210 59.018 -0.332 0.000 1.200 460 C CB -1.035 26.542 27.740 -0.272 0.000 1.818 460 C HN 1.086 nan 8.230 nan 0.000 0.586 461 G N 2.030 111.070 108.800 0.399 0.000 2.990 461 G HA2 0.606 4.565 3.960 -0.002 0.000 0.208 461 G HA3 0.606 4.565 3.960 -0.002 0.000 0.208 461 G C -0.921 174.172 174.900 0.320 0.000 1.334 461 G CA -0.339 45.041 45.100 0.468 0.000 1.024 461 G HN 0.545 nan 8.290 nan 0.000 0.574 462 N N -2.055 116.813 118.700 0.281 0.000 2.381 462 N HA 0.688 5.427 4.740 -0.002 0.000 0.294 462 N C 0.345 175.942 175.510 0.144 0.000 1.216 462 N CA -0.271 52.901 53.050 0.203 0.000 0.803 462 N CB 2.732 41.343 38.487 0.207 0.000 1.372 462 N HN 0.520 nan 8.380 nan 0.000 0.500 463 V N -3.336 116.648 119.914 0.116 0.000 6.115 463 V HA 0.964 5.083 4.120 -0.002 0.000 0.076 463 V C -0.936 175.225 176.094 0.111 0.000 0.976 463 V CA -0.329 62.024 62.300 0.087 0.000 1.228 463 V CB 0.028 31.881 31.823 0.050 0.000 2.358 463 V HN 0.678 nan 8.190 nan 0.000 0.383 464 A N -1.559 121.358 122.820 0.162 0.000 2.606 464 A HA 0.838 5.156 4.320 -0.002 0.000 0.293 464 A C -0.598 177.234 177.584 0.413 0.000 1.082 464 A CA 0.149 52.341 52.037 0.259 0.000 0.685 464 A CB 0.588 19.796 19.000 0.347 0.000 1.284 464 A HN 1.951 nan 8.150 nan 0.000 0.408 465 H N 0.057 119.141 119.070 0.024 0.000 3.031 465 H HA -0.106 4.449 4.556 -0.002 0.000 0.293 465 H C 0.040 175.382 175.328 0.024 0.000 1.305 465 H CA 0.982 57.044 56.048 0.025 0.000 1.162 465 H CB -2.514 27.265 29.762 0.028 0.000 1.341 465 H HN 0.886 nan 8.280 nan 0.000 0.413 466 Q N -2.311 117.537 119.800 0.080 0.000 2.493 466 Q HA -0.235 4.103 4.340 -0.002 0.000 0.278 466 Q C -0.535 175.507 176.000 0.070 0.000 1.198 466 Q CA 1.037 56.873 55.803 0.056 0.000 0.880 466 Q CB -1.068 27.698 28.738 0.046 0.000 1.260 466 Q HN 0.766 nan 8.270 nan 0.000 0.470 467 Q N 0.377 120.231 119.800 0.090 0.000 2.356 467 Q HA 0.653 4.992 4.340 -0.002 0.000 0.270 467 Q C -1.276 174.797 176.000 0.122 0.000 1.058 467 Q CA -0.808 55.055 55.803 0.100 0.000 0.802 467 Q CB 1.541 30.340 28.738 0.102 0.000 1.303 467 Q HN 0.119 nan 8.270 nan 0.000 0.444 468 L N 3.014 124.332 121.223 0.157 0.000 2.345 468 L HA 0.512 4.851 4.340 -0.002 0.000 0.274 468 L C -0.486 176.585 176.870 0.334 0.000 0.999 468 L CA -0.251 54.751 54.840 0.269 0.000 0.849 468 L CB 0.963 43.187 42.059 0.276 0.000 1.220 468 L HN 0.613 nan 8.230 nan 0.000 0.422 469 I N 2.400 123.084 120.570 0.190 0.000 2.519 469 I HA 0.316 4.485 4.170 -0.002 0.000 0.287 469 I C -0.100 175.959 176.117 -0.098 0.000 1.047 469 I CA 0.101 61.432 61.300 0.052 0.000 1.381 469 I CB 0.961 38.923 38.000 -0.063 0.000 1.417 469 I HN 0.824 nan 8.210 nan 0.000 0.540 470 Q N 8.313 127.953 119.800 -0.266 0.000 2.490 470 Q HA 0.372 4.710 4.340 -0.002 0.000 0.255 470 Q C -1.439 174.385 176.000 -0.292 0.000 0.997 470 Q CA -0.647 54.824 55.803 -0.553 0.000 0.709 470 Q CB 0.965 29.000 28.738 -1.173 0.000 1.255 470 Q HN 0.713 nan 8.270 nan 0.000 0.486 471 I N 3.043 123.490 120.570 -0.206 0.000 2.483 471 I HA 0.063 4.232 4.170 -0.002 0.000 0.291 471 I C 0.729 176.805 176.117 -0.069 0.000 1.112 471 I CA 0.259 61.508 61.300 -0.086 0.000 1.350 471 I CB 0.670 38.654 38.000 -0.027 0.000 1.419 471 I HN 0.440 nan 8.210 nan 0.000 0.523 472 T N 3.260 117.786 114.554 -0.047 0.000 2.902 472 T HA 0.138 4.487 4.350 -0.002 0.000 0.280 472 T C 1.413 176.191 174.700 0.130 0.000 0.992 472 T CA -0.226 61.856 62.100 -0.030 0.000 1.015 472 T CB 1.300 70.121 68.868 -0.079 0.000 1.044 472 T HN 0.744 nan 8.240 nan 0.000 0.520 473 S N 1.868 117.677 115.700 0.181 0.000 2.400 473 S HA -0.082 4.387 4.470 -0.002 0.000 0.232 473 S C 2.188 176.861 174.600 0.121 0.000 1.025 473 S CA 1.000 59.368 58.200 0.278 0.000 0.993 473 S CB -0.686 62.699 63.200 0.308 0.000 0.808 473 S HN 0.814 nan 8.310 nan 0.000 0.478 474 A N 1.038 123.889 122.820 0.053 0.000 2.072 474 A HA 0.454 4.772 4.320 -0.002 0.000 0.216 474 A C 1.031 178.607 177.584 -0.014 0.000 1.156 474 A CA 0.581 52.620 52.037 0.005 0.000 0.701 474 A CB -0.166 18.825 19.000 -0.015 0.000 0.816 474 A HN 1.301 nan 8.150 nan 0.000 0.458 475 S N -1.410 114.306 115.700 0.027 0.000 2.467 475 S HA 0.208 4.677 4.470 -0.002 0.000 0.320 475 S C -0.773 173.872 174.600 0.076 0.000 0.940 475 S CA -0.050 58.172 58.200 0.037 0.000 0.896 475 S CB 0.005 63.197 63.200 -0.014 0.000 1.172 475 S HN 1.487 nan 8.310 nan 0.000 0.450 476 V N 4.831 124.843 119.914 0.165 0.000 2.434 476 V HA 0.416 4.535 4.120 -0.002 0.000 0.281 476 V C 0.527 176.672 176.094 0.084 0.000 1.005 476 V CA 0.455 62.816 62.300 0.102 0.000 1.089 476 V CB -0.318 31.559 31.823 0.089 0.000 0.978 476 V HN 0.936 nan 8.190 nan 0.000 0.474 477 R N 4.744 125.258 120.500 0.024 0.000 2.606 477 R HA 0.793 5.132 4.340 -0.002 0.000 0.249 477 R C -0.960 175.374 176.300 0.058 0.000 1.127 477 R CA -0.956 55.171 56.100 0.046 0.000 1.133 477 R CB 1.324 31.652 30.300 0.047 0.000 1.243 477 R HN 0.751 nan 8.270 nan 0.000 0.558 478 L N 0.917 122.195 121.223 0.092 0.000 2.562 478 L HA 0.326 4.664 4.340 -0.002 0.000 0.266 478 L C -1.444 175.500 176.870 0.124 0.000 0.949 478 L CA -0.715 54.184 54.840 0.100 0.000 0.879 478 L CB 2.267 44.362 42.059 0.060 0.000 1.278 478 L HN 0.288 nan 8.230 nan 0.000 0.404 479 V N 2.182 122.193 119.914 0.161 0.000 2.472 479 V HA 0.432 4.550 4.120 -0.002 0.000 0.290 479 V C 0.319 176.446 176.094 0.055 0.000 1.037 479 V CA -0.512 61.851 62.300 0.105 0.000 0.908 479 V CB 2.118 33.986 31.823 0.075 0.000 0.985 479 V HN 0.833 nan 8.190 nan 0.000 0.454 480 S N 3.360 119.076 115.700 0.026 0.000 2.545 480 S HA 0.256 4.725 4.470 -0.002 0.000 0.275 480 S C 0.380 174.977 174.600 -0.006 0.000 1.299 480 S CA -0.217 57.995 58.200 0.020 0.000 1.048 480 S CB 1.768 64.979 63.200 0.019 0.000 0.938 480 S HN 0.692 nan 8.310 nan 0.000 0.496 481 Q N 1.364 121.166 119.800 0.003 0.000 2.324 481 Q HA 0.139 4.477 4.340 -0.002 0.000 0.207 481 Q C 1.828 177.820 176.000 -0.013 0.000 0.928 481 Q CA 1.159 56.955 55.803 -0.011 0.000 0.890 481 Q CB -0.243 28.499 28.738 0.006 0.000 1.001 481 Q HN 0.910 nan 8.270 nan 0.000 0.517 482 E N -0.153 120.046 120.200 -0.003 0.000 2.014 482 E HA -0.057 4.292 4.350 -0.002 0.000 0.190 482 E C -0.734 175.862 176.600 -0.007 0.000 0.980 482 E CA 1.034 57.431 56.400 -0.004 0.000 0.807 482 E CB -0.580 29.121 29.700 0.001 0.000 0.770 482 E HN 0.312 nan 8.360 nan 0.000 0.451 483 P HA -0.095 nan 4.420 nan 0.000 0.217 483 P C -0.430 176.861 177.300 -0.015 0.000 1.150 483 P CA 1.028 64.125 63.100 -0.005 0.000 0.832 483 P CB 0.063 31.764 31.700 0.001 0.000 0.787 484 K N -1.691 118.695 120.400 -0.022 0.000 4.672 484 K HA 0.063 4.382 4.320 -0.002 0.000 0.423 484 K C -0.637 175.939 176.600 -0.039 0.000 1.135 484 K CA 0.616 56.876 56.287 -0.044 0.000 1.181 484 K CB -1.613 30.857 32.500 -0.050 0.000 1.617 484 K HN 0.310 nan 8.250 nan 0.000 0.416 485 A N 1.423 124.226 122.820 -0.029 0.000 4.642 485 A HA 0.804 5.123 4.320 -0.002 0.000 0.248 485 A C -1.674 175.919 177.584 0.015 0.000 0.987 485 A CA -0.309 51.724 52.037 -0.007 0.000 0.622 485 A CB 0.525 19.526 19.000 0.002 0.000 1.769 485 A HN 0.737 nan 8.150 nan 0.000 0.864 486 L N 0.741 121.980 121.223 0.027 0.000 2.325 486 L HA 0.582 4.920 4.340 -0.002 0.000 0.281 486 L C 0.838 177.731 176.870 0.038 0.000 1.004 486 L CA -0.103 54.764 54.840 0.044 0.000 0.823 486 L CB 1.822 43.908 42.059 0.045 0.000 1.236 486 L HN 1.054 nan 8.230 nan 0.000 0.415 487 V N 1.297 121.238 119.914 0.045 0.000 2.599 487 V HA 0.393 4.511 4.120 -0.002 0.000 0.245 487 V C 0.765 176.883 176.094 0.040 0.000 1.046 487 V CA 1.220 63.544 62.300 0.041 0.000 1.065 487 V CB 0.233 32.083 31.823 0.044 0.000 0.703 487 V HN 0.736 nan 8.190 nan 0.000 0.464 488 S N -1.172 114.557 115.700 0.048 0.000 2.655 488 S HA 0.530 4.998 4.470 -0.002 0.000 0.266 488 S C -1.802 172.836 174.600 0.062 0.000 1.149 488 S CA -0.214 58.016 58.200 0.051 0.000 0.818 488 S CB 1.758 64.990 63.200 0.054 0.000 1.130 488 S HN 0.822 nan 8.310 nan 0.000 0.476 489 E N 0.355 120.597 120.200 0.070 0.000 2.406 489 E HA 0.351 4.700 4.350 -0.002 0.000 0.297 489 E C -2.145 174.518 176.600 0.105 0.000 0.917 489 E CA -0.447 55.998 56.400 0.076 0.000 0.795 489 E CB 0.799 30.519 29.700 0.033 0.000 1.285 489 E HN 0.536 nan 8.360 nan 0.000 0.400 490 W N 4.386 125.666 121.300 -0.034 0.000 2.516 490 W HA 0.598 5.256 4.660 -0.002 0.000 0.343 490 W C -0.943 175.537 176.519 -0.065 0.000 1.094 490 W CA -0.461 56.856 57.345 -0.047 0.000 1.250 490 W CB 1.344 30.777 29.460 -0.045 0.000 1.308 490 W HN 0.400 nan 8.180 nan 0.000 0.588 491 K N 3.470 123.172 120.400 -1.165 0.000 2.553 491 K HA 0.030 4.349 4.320 -0.002 0.000 0.250 491 K C -0.794 174.911 176.600 -1.493 0.000 0.953 491 K CA -0.772 54.922 56.287 -0.988 0.000 0.800 491 K CB 1.579 33.766 32.500 -0.520 0.000 1.243 491 K HN 0.377 nan 8.250 nan 0.000 0.435 492 E N 4.471 124.003 120.200 -1.113 0.000 2.729 492 E HA -0.042 4.306 4.350 -0.002 0.000 0.246 492 E C -2.147 174.145 176.600 -0.514 0.000 0.984 492 E CA -0.821 55.103 56.400 -0.793 0.000 0.951 492 E CB 0.574 30.064 29.700 -0.350 0.000 0.914 492 E HN 0.226 nan 8.360 nan 0.000 0.509 493 P HA -0.086 nan 4.420 nan 0.000 0.218 493 P C -0.170 177.058 177.300 -0.120 0.000 1.473 493 P CA 0.719 63.701 63.100 -0.196 0.000 0.957 493 P CB 0.103 31.776 31.700 -0.044 0.000 1.772 494 Q N -1.466 118.248 119.800 -0.142 0.000 1.617 494 Q HA 0.109 4.447 4.340 -0.002 0.000 0.139 494 Q C 0.532 176.472 176.000 -0.101 0.000 0.662 494 Q CA 0.714 56.463 55.803 -0.090 0.000 0.642 494 Q CB -0.557 28.150 28.738 -0.052 0.000 1.060 494 Q HN 0.215 nan 8.270 nan 0.000 0.337 495 A N 1.191 123.926 122.820 -0.141 0.000 4.316 495 A HA -0.104 4.215 4.320 -0.002 0.000 0.176 495 A C -0.450 177.079 177.584 -0.093 0.000 1.241 495 A CA 0.539 52.498 52.037 -0.129 0.000 1.015 495 A CB -1.732 17.210 19.000 -0.096 0.000 0.939 495 A HN 0.047 nan 8.150 nan 0.000 0.612 496 K N 0.796 121.141 120.400 -0.093 0.000 2.211 496 K HA 0.372 4.690 4.320 -0.002 0.000 0.275 496 K C -0.063 176.517 176.600 -0.033 0.000 1.024 496 K CA -0.895 55.364 56.287 -0.048 0.000 0.887 496 K CB 0.583 33.068 32.500 -0.025 0.000 1.084 496 K HN 0.458 nan 8.250 nan 0.000 0.463 497 N N 2.127 120.824 118.700 -0.005 0.000 2.138 497 N HA -0.121 4.618 4.740 -0.002 0.000 0.271 497 N C -0.377 175.155 175.510 0.037 0.000 1.272 497 N CA 0.546 53.614 53.050 0.031 0.000 0.819 497 N CB 0.053 38.569 38.487 0.050 0.000 1.052 497 N HN 0.368 nan 8.380 nan 0.000 0.479 498 I N 1.482 122.092 120.570 0.066 0.000 2.421 498 I HA -0.047 4.121 4.170 -0.002 0.000 0.291 498 I C 1.555 177.649 176.117 -0.040 0.000 1.089 498 I CA -0.104 61.221 61.300 0.042 0.000 1.354 498 I CB 0.414 38.466 38.000 0.087 0.000 1.413 498 I HN 0.616 nan 8.210 nan 0.000 0.513 499 S N 5.152 120.789 115.700 -0.106 0.000 2.371 499 S HA 0.048 4.516 4.470 -0.002 0.000 0.224 499 S C 0.692 175.002 174.600 -0.483 0.000 1.029 499 S CA 0.262 58.358 58.200 -0.175 0.000 0.978 499 S CB 0.148 63.302 63.200 -0.077 0.000 0.833 499 S HN 0.379 nan 8.310 nan 0.000 0.466 500 V N 1.707 121.386 119.914 -0.392 0.000 2.569 500 V HA 0.771 4.889 4.120 -0.002 0.000 0.301 500 V C 0.351 176.270 176.094 -0.292 0.000 1.044 500 V CA -0.733 61.330 62.300 -0.395 0.000 0.874 500 V CB 1.091 32.822 31.823 -0.154 0.000 1.002 500 V HN 0.659 nan 8.190 nan 0.000 0.424 501 A N 3.469 126.114 122.820 -0.292 0.000 2.296 501 A HA 0.904 5.223 4.320 -0.002 0.000 0.276 501 A C 0.323 177.927 177.584 0.033 0.000 1.356 501 A CA 0.113 52.127 52.037 -0.039 0.000 0.825 501 A CB 0.984 20.080 19.000 0.159 0.000 1.308 501 A HN 1.496 nan 8.150 nan 0.000 0.515 502 S N -2.848 112.896 115.700 0.074 0.000 2.852 502 S HA 0.224 4.693 4.470 -0.002 0.000 0.302 502 S C -1.428 173.075 174.600 -0.162 0.000 0.615 502 S CA 0.061 58.292 58.200 0.053 0.000 0.649 502 S CB -0.448 62.746 63.200 -0.009 0.000 0.887 502 S HN 2.017 nan 8.310 nan 0.000 0.603 503 C N 6.323 125.430 119.300 -0.322 0.000 2.599 503 C HA 0.647 5.105 4.460 -0.002 0.000 0.354 503 C C 0.962 175.765 174.990 -0.312 0.000 1.092 503 C CA -0.196 58.406 59.018 -0.694 0.000 1.280 503 C CB 0.030 26.808 27.740 -1.603 0.000 1.829 503 C HN 1.070 nan 8.230 nan 0.000 0.454 504 N N 3.176 121.798 118.700 -0.130 0.000 2.182 504 N HA 0.135 4.873 4.740 -0.002 0.000 0.186 504 N C 1.012 176.551 175.510 0.048 0.000 1.036 504 N CA 1.660 54.722 53.050 0.021 0.000 0.850 504 N CB 0.024 38.525 38.487 0.024 0.000 1.010 504 N HN 0.666 nan 8.380 nan 0.000 0.432 505 S N -3.500 112.197 115.700 -0.005 0.000 2.455 505 S HA 0.048 4.517 4.470 -0.002 0.000 0.110 505 S C 0.045 174.653 174.600 0.013 0.000 0.603 505 S CA 0.237 58.459 58.200 0.037 0.000 1.510 505 S CB -1.154 62.092 63.200 0.076 0.000 0.940 505 S HN 0.258 nan 8.310 nan 0.000 0.267 506 S N 1.885 117.584 115.700 -0.000 0.000 2.559 506 S HA 0.399 4.868 4.470 -0.002 0.000 0.226 506 S C -0.096 174.481 174.600 -0.039 0.000 1.000 506 S CA -0.124 58.065 58.200 -0.018 0.000 0.948 506 S CB 0.770 63.976 63.200 0.009 0.000 0.870 506 S HN 0.793 nan 8.310 nan 0.000 0.497 507 Q N -0.589 119.191 119.800 -0.033 0.000 2.702 507 Q HA 0.619 4.958 4.340 -0.002 0.000 0.289 507 Q C -2.081 173.890 176.000 -0.048 0.000 0.923 507 Q CA -0.848 54.970 55.803 0.024 0.000 0.787 507 Q CB 1.038 29.848 28.738 0.120 0.000 1.476 507 Q HN 0.010 nan 8.270 nan 0.000 0.402 508 V N 0.241 120.168 119.914 0.022 0.000 3.074 508 V HA 0.762 4.881 4.120 -0.002 0.000 0.314 508 V C -0.910 175.163 176.094 -0.035 0.000 1.117 508 V CA -0.767 61.494 62.300 -0.067 0.000 1.014 508 V CB 2.240 34.008 31.823 -0.091 0.000 1.057 508 V HN 0.659 nan 8.190 nan 0.000 0.438 509 V N 2.366 122.234 119.914 -0.078 0.000 2.757 509 V HA 0.239 4.357 4.120 -0.002 0.000 0.262 509 V C -0.282 175.774 176.094 -0.062 0.000 0.971 509 V CA -0.426 61.838 62.300 -0.059 0.000 0.906 509 V CB 1.565 33.297 31.823 -0.152 0.000 1.056 509 V HN 0.777 nan 8.190 nan 0.000 0.489 510 V N 1.389 121.286 119.914 -0.028 0.000 3.336 510 V HA 1.009 5.128 4.120 -0.002 0.000 0.304 510 V C 0.379 176.486 176.094 0.021 0.000 1.073 510 V CA -0.103 62.188 62.300 -0.014 0.000 1.074 510 V CB 1.707 33.535 31.823 0.010 0.000 1.161 510 V HN 1.214 nan 8.190 nan 0.000 0.460 511 A N 0.999 123.829 122.820 0.017 0.000 2.459 511 A HA 0.728 5.047 4.320 -0.002 0.000 0.296 511 A C -0.922 176.690 177.584 0.047 0.000 1.039 511 A CA -0.390 51.673 52.037 0.044 0.000 0.698 511 A CB 2.038 21.023 19.000 -0.024 0.000 1.261 511 A HN 1.333 nan 8.150 nan 0.000 0.405 512 V N 3.008 122.990 119.914 0.113 0.000 2.446 512 V HA 0.612 4.730 4.120 -0.002 0.000 0.257 512 V C 1.038 177.166 176.094 0.056 0.000 1.036 512 V CA 0.739 63.089 62.300 0.083 0.000 1.196 512 V CB -0.717 31.189 31.823 0.138 0.000 1.446 512 V HN 2.209 nan 8.190 nan 0.000 0.558 513 G N 3.179 111.978 108.800 -0.001 0.000 2.938 513 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.234 513 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.234 513 G C 0.560 175.438 174.900 -0.036 0.000 1.707 513 G CA 0.200 45.272 45.100 -0.047 0.000 1.299 513 G HN 0.451 nan 8.290 nan 0.000 0.515 514 R N 1.052 121.550 120.500 -0.004 0.000 2.446 514 R HA 0.690 5.029 4.340 -0.002 0.000 0.254 514 R C 0.954 177.265 176.300 0.018 0.000 0.918 514 R CA 0.686 56.785 56.100 -0.002 0.000 1.069 514 R CB 1.099 31.387 30.300 -0.019 0.000 1.194 514 R HN 0.766 nan 8.270 nan 0.000 0.534 515 A N 1.112 123.979 122.820 0.078 0.000 2.269 515 A HA 0.757 5.076 4.320 -0.002 0.000 0.319 515 A C -0.822 176.863 177.584 0.167 0.000 1.110 515 A CA -0.457 51.658 52.037 0.129 0.000 0.847 515 A CB 0.779 19.962 19.000 0.305 0.000 1.161 515 A HN 0.123 nan 8.150 nan 0.000 0.497 516 L N 0.439 121.763 121.223 0.168 0.000 2.464 516 L HA 0.487 4.825 4.340 -0.002 0.000 0.266 516 L C -1.734 175.331 176.870 0.326 0.000 0.965 516 L CA -0.364 54.581 54.840 0.175 0.000 0.833 516 L CB 1.997 43.923 42.059 -0.220 0.000 1.296 516 L HN 0.705 nan 8.230 nan 0.000 0.405 517 Y N 1.643 122.075 120.300 0.220 0.000 2.429 517 Y HA 0.428 4.977 4.550 -0.002 0.000 0.342 517 Y C -0.782 175.208 175.900 0.151 0.000 1.004 517 Y CA -1.048 57.136 58.100 0.139 0.000 1.075 517 Y CB 1.632 39.983 38.460 -0.182 0.000 1.214 517 Y HN 0.392 nan 8.280 nan 0.000 0.455 518 Y N 3.995 124.383 120.300 0.147 0.000 2.328 518 Y HA 0.750 5.299 4.550 -0.002 0.000 0.336 518 Y C -1.796 174.034 175.900 -0.118 0.000 0.960 518 Y CA -1.052 57.092 58.100 0.074 0.000 1.134 518 Y CB 0.816 39.368 38.460 0.153 0.000 1.166 518 Y HN 0.625 nan 8.280 nan 0.000 0.464 519 L N 6.212 127.487 121.223 0.087 0.000 2.408 519 L HA 0.448 4.786 4.340 -0.002 0.000 0.268 519 L C -0.895 175.917 176.870 -0.098 0.000 0.986 519 L CA -0.695 54.027 54.840 -0.196 0.000 0.820 519 L CB 2.426 44.278 42.059 -0.345 0.000 1.303 519 L HN 0.647 nan 8.230 nan 0.000 0.411 520 Q N 3.104 122.807 119.800 -0.162 0.000 2.306 520 Q HA 0.498 4.837 4.340 -0.002 0.000 0.265 520 Q C -0.792 175.101 176.000 -0.177 0.000 1.022 520 Q CA -0.898 54.819 55.803 -0.144 0.000 0.853 520 Q CB 2.989 31.639 28.738 -0.148 0.000 1.327 520 Q HN 0.438 nan 8.270 nan 0.000 0.449 521 I N 3.526 123.943 120.570 -0.255 0.000 2.206 521 I HA 0.149 4.317 4.170 -0.002 0.000 0.292 521 I C 0.210 176.104 176.117 -0.372 0.000 1.156 521 I CA 0.021 61.187 61.300 -0.224 0.000 1.356 521 I CB -1.078 36.834 38.000 -0.146 0.000 1.494 521 I HN 0.374 nan 8.210 nan 0.000 0.601 522 H N 5.017 123.996 119.070 -0.152 0.000 2.495 522 H HA 0.274 4.829 4.556 -0.002 0.000 0.350 522 H C -1.932 173.239 175.328 -0.261 0.000 1.202 522 H CA -1.958 53.958 56.048 -0.221 0.000 1.322 522 H CB 0.871 30.550 29.762 -0.139 0.000 1.544 522 H HN 0.052 nan 8.280 nan 0.000 0.565 523 P HA -0.166 nan 4.420 nan 0.000 0.207 523 P C -0.370 176.918 177.300 -0.020 0.000 0.945 523 P CA 1.032 64.059 63.100 -0.120 0.000 1.033 523 P CB -0.571 31.135 31.700 0.009 0.000 1.023 524 Q N -0.331 119.463 119.800 -0.009 0.000 2.463 524 Q HA -0.255 4.083 4.340 -0.002 0.000 0.299 524 Q C 0.079 176.090 176.000 0.019 0.000 1.353 524 Q CA 1.096 56.914 55.803 0.025 0.000 0.828 524 Q CB -1.299 27.464 28.738 0.043 0.000 1.157 524 Q HN 0.587 nan 8.270 nan 0.000 0.436 525 E N 0.199 120.403 120.200 0.007 0.000 2.748 525 E HA 0.211 4.560 4.350 -0.002 0.000 0.320 525 E C -1.139 175.469 176.600 0.014 0.000 0.996 525 E CA -0.451 55.962 56.400 0.021 0.000 0.835 525 E CB 0.997 30.713 29.700 0.027 0.000 1.265 525 E HN 0.233 nan 8.360 nan 0.000 0.420 526 L N 3.346 124.586 121.223 0.027 0.000 2.461 526 L HA 0.345 4.683 4.340 -0.002 0.000 0.272 526 L C 0.867 177.745 176.870 0.013 0.000 1.197 526 L CA 0.242 55.091 54.840 0.015 0.000 0.836 526 L CB 0.353 42.452 42.059 0.066 0.000 1.105 526 L HN 0.391 nan 8.230 nan 0.000 0.477 527 R N 2.631 123.107 120.500 -0.039 0.000 2.734 527 R HA 0.127 4.466 4.340 -0.002 0.000 0.268 527 R C -0.778 175.434 176.300 -0.147 0.000 1.785 527 R CA -0.762 55.312 56.100 -0.043 0.000 1.461 527 R CB 0.934 31.260 30.300 0.043 0.000 1.308 527 R HN 0.634 nan 8.270 nan 0.000 0.586 528 Q N 2.612 122.324 119.800 -0.146 0.000 2.485 528 Q HA -0.119 4.219 4.340 -0.002 0.000 0.348 528 Q C 0.351 176.224 176.000 -0.213 0.000 1.097 528 Q CA 1.080 56.774 55.803 -0.182 0.000 1.079 528 Q CB 0.445 29.173 28.738 -0.018 0.000 1.108 528 Q HN 0.665 nan 8.270 nan 0.000 0.400 529 I N 0.888 121.273 120.570 -0.309 0.000 4.670 529 I HA 0.218 4.387 4.170 -0.002 0.000 0.339 529 I C -0.291 175.661 176.117 -0.275 0.000 1.310 529 I CA 0.096 61.184 61.300 -0.352 0.000 1.288 529 I CB 0.221 37.827 38.000 -0.656 0.000 1.427 529 I HN 0.473 nan 8.210 nan 0.000 0.494 530 S N -0.484 115.086 115.700 -0.218 0.000 2.643 530 S HA 0.537 5.006 4.470 -0.002 0.000 0.266 530 S C -1.614 172.901 174.600 -0.142 0.000 1.130 530 S CA -0.522 57.515 58.200 -0.272 0.000 0.817 530 S CB 2.483 65.284 63.200 -0.665 0.000 1.107 530 S HN 0.371 nan 8.310 nan 0.000 0.471 531 H N 0.076 118.975 119.070 -0.285 0.000 3.154 531 H HA 0.641 5.195 4.556 -0.002 0.000 0.330 531 H C -1.468 173.835 175.328 -0.042 0.000 1.033 531 H CA 0.087 55.991 56.048 -0.240 0.000 1.393 531 H CB 1.182 30.750 29.762 -0.324 0.000 1.951 531 H HN 0.545 nan 8.280 nan 0.000 0.466 532 T N 4.068 118.570 114.554 -0.086 0.000 2.868 532 T HA 0.423 4.772 4.350 -0.002 0.000 0.306 532 T C -1.112 173.468 174.700 -0.199 0.000 1.224 532 T CA -0.859 61.143 62.100 -0.164 0.000 1.012 532 T CB 1.924 70.869 68.868 0.128 0.000 1.221 532 T HN 0.607 nan 8.240 nan 0.000 0.499 533 E N 1.286 121.374 120.200 -0.187 0.000 2.256 533 E HA 0.564 4.912 4.350 -0.002 0.000 0.267 533 E C -0.834 175.727 176.600 -0.064 0.000 0.892 533 E CA -1.038 55.295 56.400 -0.112 0.000 0.775 533 E CB 1.674 31.305 29.700 -0.115 0.000 1.207 533 E HN 0.223 nan 8.360 nan 0.000 0.420 534 M N 1.719 121.294 119.600 -0.042 0.000 2.472 534 M HA 0.193 4.672 4.480 -0.002 0.000 0.331 534 M C 0.958 177.238 176.300 -0.032 0.000 1.170 534 M CA -0.176 55.110 55.300 -0.023 0.000 1.009 534 M CB 1.132 33.731 32.600 -0.001 0.000 1.672 534 M HN 0.597 nan 8.290 nan 0.000 0.453 535 E N 0.739 120.923 120.200 -0.027 0.000 2.233 535 E HA -0.194 4.154 4.350 -0.002 0.000 0.199 535 E C 0.042 176.456 176.600 -0.311 0.000 1.004 535 E CA 1.384 57.713 56.400 -0.117 0.000 0.819 535 E CB 0.174 29.872 29.700 -0.004 0.000 0.738 535 E HN 0.459 nan 8.360 nan 0.000 0.478 536 H N -1.739 117.341 119.070 0.018 0.000 2.947 536 H HA 0.231 4.786 4.556 -0.002 0.000 0.290 536 H C -0.572 174.778 175.328 0.036 0.000 1.430 536 H CA -0.780 55.293 56.048 0.042 0.000 1.189 536 H CB 0.985 30.802 29.762 0.092 0.000 1.875 536 H HN -0.098 nan 8.280 nan 0.000 0.568 537 E N 1.265 121.585 120.200 0.199 0.000 2.343 537 E HA 0.229 4.577 4.350 -0.002 0.000 0.269 537 E C -0.744 175.986 176.600 0.216 0.000 1.047 537 E CA -0.449 55.935 56.400 -0.026 0.000 0.874 537 E CB 1.271 30.642 29.700 -0.547 0.000 1.033 537 E HN 0.153 nan 8.360 nan 0.000 0.409 538 V N 3.471 123.459 119.914 0.123 0.000 2.432 538 V HA 0.151 4.270 4.120 -0.002 0.000 0.275 538 V C 0.906 177.198 176.094 0.331 0.000 1.043 538 V CA 0.251 62.660 62.300 0.181 0.000 0.925 538 V CB 1.000 32.855 31.823 0.054 0.000 0.985 538 V HN 0.853 nan 8.190 nan 0.000 0.466 539 A N 4.058 127.077 122.820 0.333 0.000 1.956 539 A HA 0.278 4.596 4.320 -0.002 0.000 0.212 539 A C 0.906 178.549 177.584 0.098 0.000 1.188 539 A CA 1.041 53.222 52.037 0.241 0.000 0.675 539 A CB 0.035 19.005 19.000 -0.049 0.000 0.845 539 A HN 1.105 nan 8.150 nan 0.000 0.455 540 C N -2.405 116.920 119.300 0.043 0.000 3.283 540 C HA 0.707 5.165 4.460 -0.002 0.000 0.359 540 C C -1.153 173.831 174.990 -0.009 0.000 1.160 540 C CA -1.338 57.690 59.018 0.016 0.000 1.232 540 C CB 0.155 27.903 27.740 0.015 0.000 1.571 540 C HN 0.310 nan 8.230 nan 0.000 0.522 541 L N 1.613 122.832 121.223 -0.007 0.000 2.381 541 L HA 0.747 5.086 4.340 -0.002 0.000 0.268 541 L C -1.131 175.744 176.870 0.007 0.000 0.997 541 L CA -0.080 54.744 54.840 -0.027 0.000 0.818 541 L CB 2.007 44.031 42.059 -0.059 0.000 1.310 541 L HN 0.808 nan 8.230 nan 0.000 0.416 542 D N 2.582 122.975 120.400 -0.011 0.000 2.646 542 D HA 0.667 5.305 4.640 -0.002 0.000 0.245 542 D C -1.192 175.096 176.300 -0.021 0.000 1.099 542 D CA -0.256 53.752 54.000 0.012 0.000 0.849 542 D CB 1.996 42.807 40.800 0.018 0.000 1.448 542 D HN 0.433 nan 8.370 nan 0.000 0.489 543 I N -0.015 120.553 120.570 -0.003 0.000 2.512 543 I HA 0.702 4.871 4.170 -0.002 0.000 0.287 543 I C -1.237 174.886 176.117 0.009 0.000 1.069 543 I CA -0.541 60.741 61.300 -0.030 0.000 1.056 543 I CB 2.329 40.282 38.000 -0.079 0.000 1.229 543 I HN 0.120 nan 8.210 nan 0.000 0.429 544 T N 5.004 119.561 114.554 0.005 0.000 3.291 544 T HA 0.331 4.680 4.350 -0.002 0.000 0.344 544 T C -3.008 171.700 174.700 0.012 0.000 1.293 544 T CA -0.816 61.302 62.100 0.030 0.000 1.108 544 T CB 2.060 70.960 68.868 0.052 0.000 1.231 544 T HN 0.475 nan 8.240 nan 0.000 0.474 545 P HA 0.116 nan 4.420 nan 0.000 0.258 545 P C 0.433 177.740 177.300 0.012 0.000 1.214 545 P CA 0.022 63.130 63.100 0.014 0.000 0.872 545 P CB 0.099 31.819 31.700 0.033 0.000 0.890 546 L N 1.689 122.894 121.223 -0.030 0.000 2.627 546 L HA 0.224 4.563 4.340 -0.002 0.000 0.233 546 L C 1.531 178.363 176.870 -0.063 0.000 1.144 546 L CA 0.448 55.259 54.840 -0.048 0.000 0.892 546 L CB -0.443 41.541 42.059 -0.125 0.000 1.039 546 L HN 0.516 nan 8.230 nan 0.000 0.442 547 G N 0.190 108.977 108.800 -0.021 0.000 2.687 547 G HA2 -0.113 3.845 3.960 -0.002 0.000 0.106 547 G HA3 -0.113 3.845 3.960 -0.002 0.000 0.106 547 G C -0.782 174.142 174.900 0.041 0.000 1.082 547 G CA 0.128 45.254 45.100 0.043 0.000 1.394 547 G HN 0.199 nan 8.290 nan 0.000 0.627 548 D N 1.661 122.075 120.400 0.024 0.000 2.977 548 D HA 0.327 4.966 4.640 -0.002 0.000 0.241 548 D C 0.368 176.681 176.300 0.023 0.000 1.206 548 D CA 0.655 54.673 54.000 0.030 0.000 0.902 548 D CB -0.322 40.496 40.800 0.029 0.000 1.131 548 D HN 0.753 nan 8.370 nan 0.000 0.447 549 S N -0.153 115.562 115.700 0.025 0.000 2.562 549 S HA 0.298 4.767 4.470 -0.002 0.000 0.274 549 S C -0.801 173.821 174.600 0.036 0.000 1.160 549 S CA -1.121 57.095 58.200 0.026 0.000 0.933 549 S CB 1.087 64.296 63.200 0.015 0.000 1.100 549 S HN 0.114 nan 8.310 nan 0.000 0.468 550 N N 2.183 120.908 118.700 0.041 0.000 3.271 550 N HA 0.368 5.106 4.740 -0.002 0.000 0.303 550 N C 1.161 176.700 175.510 0.048 0.000 1.415 550 N CA 0.196 53.274 53.050 0.047 0.000 1.159 550 N CB 0.474 38.990 38.487 0.048 0.000 1.432 550 N HN 1.280 nan 8.380 nan 0.000 0.521 551 G N 0.224 109.051 108.800 0.044 0.000 2.345 551 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.218 551 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.218 551 G C 0.009 174.927 174.900 0.030 0.000 1.058 551 G CA -0.573 44.551 45.100 0.041 0.000 0.632 551 G HN 0.391 nan 8.290 nan 0.000 0.508 552 L N 2.630 123.875 121.223 0.036 0.000 2.485 552 L HA 0.494 4.833 4.340 -0.002 0.000 0.279 552 L C 0.614 177.497 176.870 0.022 0.000 1.124 552 L CA 0.049 54.914 54.840 0.041 0.000 0.888 552 L CB 1.232 43.325 42.059 0.057 0.000 1.217 552 L HN 0.240 nan 8.230 nan 0.000 0.464 553 S N 4.933 120.632 115.700 -0.002 0.000 2.422 553 S HA 0.328 4.797 4.470 -0.002 0.000 0.298 553 S C -1.440 173.137 174.600 -0.037 0.000 1.118 553 S CA -1.549 56.635 58.200 -0.027 0.000 1.083 553 S CB 1.324 64.495 63.200 -0.048 0.000 0.971 553 S HN 0.345 nan 8.310 nan 0.000 0.478 554 P HA -0.090 nan 4.420 nan 0.000 0.210 554 P C 0.120 177.402 177.300 -0.029 0.000 1.185 554 P CA 1.250 64.336 63.100 -0.023 0.000 0.924 554 P CB 0.126 31.808 31.700 -0.031 0.000 0.786 555 L N -2.608 118.591 121.223 -0.039 0.000 2.635 555 L HA 0.514 4.853 4.340 -0.002 0.000 0.250 555 L C 0.017 176.856 176.870 -0.051 0.000 1.117 555 L CA -0.940 53.880 54.840 -0.034 0.000 0.834 555 L CB 0.786 42.825 42.059 -0.033 0.000 1.544 555 L HN -0.033 nan 8.230 nan 0.000 0.511 556 C N 0.630 119.898 119.300 -0.052 0.000 2.947 556 C HA 0.674 5.133 4.460 -0.002 0.000 0.401 556 C C -0.281 174.660 174.990 -0.081 0.000 1.019 556 C CA -0.544 58.423 59.018 -0.086 0.000 1.230 556 C CB 0.322 27.983 27.740 -0.130 0.000 1.644 556 C HN 0.863 nan 8.230 nan 0.000 0.523 557 A N 5.378 128.153 122.820 -0.074 0.000 2.306 557 A HA 0.940 5.258 4.320 -0.002 0.000 0.330 557 A C -0.836 176.701 177.584 -0.078 0.000 1.146 557 A CA -0.505 51.491 52.037 -0.068 0.000 0.827 557 A CB 0.929 19.900 19.000 -0.048 0.000 1.178 557 A HN 1.201 nan 8.150 nan 0.000 0.490 558 I N 0.559 121.079 120.570 -0.082 0.000 2.743 558 I HA 0.574 4.743 4.170 -0.002 0.000 0.292 558 I C -0.183 175.891 176.117 -0.071 0.000 1.343 558 I CA -0.407 60.850 61.300 -0.073 0.000 1.038 558 I CB 2.013 39.965 38.000 -0.081 0.000 1.311 558 I HN 0.811 nan 8.210 nan 0.000 0.426 559 G N 7.337 116.105 108.800 -0.054 0.000 2.416 559 G HA2 0.649 4.608 3.960 -0.002 0.000 0.324 559 G HA3 0.649 4.608 3.960 -0.002 0.000 0.324 559 G C -0.964 173.925 174.900 -0.019 0.000 1.194 559 G CA -0.458 44.606 45.100 -0.061 0.000 0.922 559 G HN 0.500 nan 8.290 nan 0.000 0.467 560 L N 0.320 121.534 121.223 -0.015 0.000 2.391 560 L HA 0.553 4.891 4.340 -0.002 0.000 0.266 560 L C 0.519 177.424 176.870 0.058 0.000 1.035 560 L CA -0.930 53.963 54.840 0.089 0.000 0.877 560 L CB 1.805 43.914 42.059 0.084 0.000 1.504 560 L HN 0.694 nan 8.230 nan 0.000 0.503 561 W N -1.264 120.002 121.300 -0.056 0.000 2.871 561 W HA 0.108 4.766 4.660 -0.002 0.000 0.267 561 W C 1.932 178.382 176.519 -0.115 0.000 1.180 561 W CA 0.219 57.532 57.345 -0.054 0.000 1.463 561 W CB 0.607 30.072 29.460 0.010 0.000 0.966 561 W HN 0.381 nan 8.180 nan 0.000 0.605 562 T N -0.840 113.675 114.554 -0.066 0.000 3.056 562 T HA -0.082 4.266 4.350 -0.002 0.000 0.241 562 T C 1.125 175.695 174.700 -0.217 0.000 1.006 562 T CA 1.206 63.233 62.100 -0.122 0.000 1.115 562 T CB -0.113 68.712 68.868 -0.072 0.000 0.939 562 T HN 0.059 nan 8.240 nan 0.000 0.462 563 D N 1.320 121.493 120.400 -0.378 0.000 2.339 563 D HA 0.057 4.695 4.640 -0.002 0.000 0.217 563 D C 0.175 176.395 176.300 -0.132 0.000 1.050 563 D CA -0.090 53.778 54.000 -0.219 0.000 0.856 563 D CB -0.321 40.341 40.800 -0.230 0.000 0.922 563 D HN 0.250 nan 8.370 nan 0.000 0.518 564 I N 0.982 121.468 120.570 -0.139 0.000 6.631 564 I HA -0.234 3.934 4.170 -0.002 0.000 0.126 564 I C -0.489 175.581 176.117 -0.077 0.000 1.826 564 I CA 0.225 61.459 61.300 -0.109 0.000 2.046 564 I CB -2.342 35.611 38.000 -0.079 0.000 3.516 564 I HN 0.154 nan 8.210 nan 0.000 0.172 565 S N 0.381 116.031 115.700 -0.083 0.000 2.549 565 S HA 0.958 5.427 4.470 -0.002 0.000 0.297 565 S C 0.025 174.573 174.600 -0.088 0.000 1.115 565 S CA -0.257 57.900 58.200 -0.072 0.000 1.059 565 S CB 2.457 65.621 63.200 -0.061 0.000 1.046 565 S HN 0.956 nan 8.310 nan 0.000 0.506 566 A N 2.571 125.319 122.820 -0.120 0.000 2.365 566 A HA 0.884 5.202 4.320 -0.002 0.000 0.318 566 A C -0.335 177.136 177.584 -0.188 0.000 1.091 566 A CA -1.050 50.888 52.037 -0.166 0.000 0.763 566 A CB 1.122 19.985 19.000 -0.229 0.000 1.248 566 A HN 0.848 nan 8.150 nan 0.000 0.442 567 R N 1.537 121.945 120.500 -0.154 0.000 2.626 567 R HA 0.551 4.889 4.340 -0.002 0.000 0.274 567 R C -1.719 174.526 176.300 -0.091 0.000 1.031 567 R CA -0.783 55.247 56.100 -0.117 0.000 0.898 567 R CB 1.772 32.019 30.300 -0.089 0.000 1.222 567 R HN 0.529 nan 8.270 nan 0.000 0.455 568 I N 3.961 124.498 120.570 -0.055 0.000 2.569 568 I HA 0.583 4.751 4.170 -0.002 0.000 0.296 568 I C -0.480 175.633 176.117 -0.008 0.000 1.028 568 I CA -0.907 60.375 61.300 -0.030 0.000 1.082 568 I CB 1.696 39.694 38.000 -0.004 0.000 1.264 568 I HN 0.546 nan 8.210 nan 0.000 0.429 569 L N 3.632 124.849 121.223 -0.010 0.000 2.582 569 L HA 0.498 4.836 4.340 -0.002 0.000 0.257 569 L C -0.322 176.570 176.870 0.036 0.000 0.974 569 L CA -0.990 53.860 54.840 0.017 0.000 0.851 569 L CB 1.655 43.724 42.059 0.017 0.000 1.424 569 L HN 0.286 nan 8.230 nan 0.000 0.412 570 K N 1.674 122.111 120.400 0.061 0.000 2.336 570 K HA 0.217 4.535 4.320 -0.002 0.000 0.290 570 K C 0.788 177.459 176.600 0.118 0.000 1.067 570 K CA -0.088 56.236 56.287 0.062 0.000 0.962 570 K CB 1.121 33.648 32.500 0.045 0.000 1.008 570 K HN 0.611 nan 8.250 nan 0.000 0.467 571 L N 5.404 126.683 121.223 0.093 0.000 1.989 571 L HA -0.183 4.156 4.340 -0.002 0.000 0.211 571 L C -0.824 176.109 176.870 0.106 0.000 1.071 571 L CA 1.640 56.558 54.840 0.130 0.000 0.749 571 L CB -0.794 41.180 42.059 -0.142 0.000 0.890 571 L HN 0.483 nan 8.230 nan 0.000 0.431 572 P HA -0.226 nan 4.420 nan 0.000 0.219 572 P C 1.279 178.540 177.300 -0.066 0.000 1.151 572 P CA 2.323 65.509 63.100 0.144 0.000 0.850 572 P CB -0.016 31.732 31.700 0.079 0.000 0.784 573 S N -3.913 111.715 115.700 -0.120 0.000 2.619 573 S HA 0.156 4.625 4.470 -0.002 0.000 0.238 573 S C 1.036 175.515 174.600 -0.203 0.000 1.068 573 S CA -0.123 57.970 58.200 -0.178 0.000 0.926 573 S CB -0.883 62.286 63.200 -0.053 0.000 0.864 573 S HN 0.169 nan 8.310 nan 0.000 0.493 574 F N 2.157 122.106 119.950 -0.003 0.000 2.871 574 F HA -0.245 4.280 4.527 -0.002 0.000 0.326 574 F C 0.302 176.083 175.800 -0.031 0.000 0.675 574 F CA 0.435 58.417 58.000 -0.028 0.000 1.188 574 F CB -2.229 36.746 39.000 -0.042 0.000 1.567 574 F HN 0.466 nan 8.300 nan 0.000 0.325 575 E N 3.062 123.335 120.200 0.122 0.000 2.502 575 E HA 0.152 4.501 4.350 -0.002 0.000 0.261 575 E C 0.450 177.087 176.600 0.062 0.000 0.974 575 E CA -0.536 55.904 56.400 0.067 0.000 0.936 575 E CB 0.947 30.669 29.700 0.037 0.000 0.926 575 E HN 0.258 nan 8.360 nan 0.000 0.459 576 L N 3.977 125.226 121.223 0.043 0.000 2.485 576 L HA -0.042 4.297 4.340 -0.002 0.000 0.275 576 L C -0.105 176.792 176.870 0.044 0.000 1.207 576 L CA 0.355 55.214 54.840 0.032 0.000 0.855 576 L CB 0.707 42.777 42.059 0.019 0.000 1.114 576 L HN 0.822 nan 8.230 nan 0.000 0.485 577 L N 4.170 125.424 121.223 0.052 0.000 2.453 577 L HA 0.339 4.678 4.340 -0.002 0.000 0.190 577 L C 0.223 177.188 176.870 0.158 0.000 1.093 577 L CA 0.637 55.523 54.840 0.077 0.000 0.834 577 L CB -0.347 41.747 42.059 0.060 0.000 1.090 577 L HN 0.907 nan 8.230 nan 0.000 0.489 578 H N -0.920 118.153 119.070 0.005 0.000 2.905 578 H HA 0.425 4.979 4.556 -0.002 0.000 0.260 578 H C -1.509 173.816 175.328 -0.005 0.000 1.403 578 H CA -1.125 54.929 56.048 0.009 0.000 1.290 578 H CB 0.757 30.533 29.762 0.022 0.000 1.840 578 H HN -0.022 nan 8.280 nan 0.000 0.466 579 K N 2.134 122.255 120.400 -0.465 0.000 2.512 579 K HA 0.555 4.874 4.320 -0.002 0.000 0.263 579 K C -1.396 175.046 176.600 -0.264 0.000 0.966 579 K CA -0.994 55.116 56.287 -0.296 0.000 0.851 579 K CB 2.664 35.020 32.500 -0.241 0.000 1.395 579 K HN 0.416 nan 8.250 nan 0.000 0.440 580 E N 2.210 122.317 120.200 -0.154 0.000 2.235 580 E HA 0.314 4.663 4.350 -0.002 0.000 0.252 580 E C -1.294 175.282 176.600 -0.039 0.000 0.886 580 E CA -0.501 55.875 56.400 -0.041 0.000 0.767 580 E CB 1.055 30.769 29.700 0.024 0.000 1.205 580 E HN 0.578 nan 8.360 nan 0.000 0.421 581 M N 3.905 123.498 119.600 -0.012 0.000 2.243 581 M HA 0.321 4.800 4.480 -0.002 0.000 0.341 581 M C -0.309 176.020 176.300 0.048 0.000 1.130 581 M CA 0.309 55.610 55.300 0.000 0.000 1.162 581 M CB 0.512 33.110 32.600 -0.004 0.000 1.497 581 M HN 0.543 nan 8.290 nan 0.000 0.456 582 L N -0.063 121.198 121.223 0.064 0.000 2.670 582 L HA 0.932 5.271 4.340 -0.002 0.000 0.251 582 L C 0.740 177.665 176.870 0.092 0.000 1.548 582 L CA -1.064 53.855 54.840 0.132 0.000 1.643 582 L CB 0.297 42.506 42.059 0.251 0.000 2.174 582 L HN 0.728 nan 8.230 nan 0.000 0.585 583 G N -1.916 106.960 108.800 0.128 0.000 2.887 583 G HA2 0.572 4.531 3.960 -0.002 0.000 0.277 583 G HA3 0.572 4.531 3.960 -0.002 0.000 0.277 583 G C -0.210 174.715 174.900 0.041 0.000 1.346 583 G CA -0.299 44.847 45.100 0.078 0.000 1.058 583 G HN 0.963 nan 8.290 nan 0.000 0.535 584 G N -0.403 108.412 108.800 0.025 0.000 2.682 584 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.256 584 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.256 584 G C 0.566 175.451 174.900 -0.024 0.000 1.333 584 G CA 0.781 45.882 45.100 0.001 0.000 0.904 584 G HN 1.210 nan 8.290 nan 0.000 0.569 585 E N -1.181 118.994 120.200 -0.041 0.000 2.606 585 E HA 0.184 4.533 4.350 -0.002 0.000 0.224 585 E C 1.094 177.629 176.600 -0.110 0.000 0.930 585 E CA -0.348 56.015 56.400 -0.061 0.000 1.125 585 E CB 0.272 29.954 29.700 -0.030 0.000 1.123 585 E HN 0.543 nan 8.360 nan 0.000 0.522 586 I N 5.012 125.516 120.570 -0.110 0.000 2.752 586 I HA -0.056 4.112 4.170 -0.002 0.000 0.286 586 I C 1.056 177.040 176.117 -0.220 0.000 1.180 586 I CA 0.013 61.220 61.300 -0.155 0.000 1.404 586 I CB -0.313 37.613 38.000 -0.124 0.000 1.389 586 I HN 0.091 nan 8.210 nan 0.000 0.549 587 I N 8.151 128.521 120.570 -0.333 0.000 3.004 587 I HA 0.379 4.548 4.170 -0.002 0.000 0.287 587 I C -2.509 173.417 176.117 -0.319 0.000 1.144 587 I CA -2.469 58.575 61.300 -0.427 0.000 1.353 587 I CB -0.542 36.955 38.000 -0.839 0.000 1.417 587 I HN 0.211 nan 8.210 nan 0.000 0.602 588 P HA 0.237 nan 4.420 nan 0.000 0.271 588 P C 0.260 177.456 177.300 -0.172 0.000 1.226 588 P CA -0.190 62.787 63.100 -0.206 0.000 0.765 588 P CB 0.581 32.183 31.700 -0.164 0.000 0.835 589 R N 1.560 121.981 120.500 -0.133 0.000 2.066 589 R HA 0.157 4.496 4.340 -0.002 0.000 0.224 589 R C 0.621 176.903 176.300 -0.030 0.000 1.122 589 R CA 1.092 57.148 56.100 -0.073 0.000 0.974 589 R CB -0.119 30.142 30.300 -0.065 0.000 0.871 589 R HN 0.436 nan 8.270 nan 0.000 0.435 590 S N -0.742 114.934 115.700 -0.040 0.000 2.569 590 S HA 0.650 5.118 4.470 -0.002 0.000 0.280 590 S C -1.223 173.367 174.600 -0.017 0.000 1.111 590 S CA -0.656 57.540 58.200 -0.007 0.000 0.887 590 S CB 1.310 64.518 63.200 0.013 0.000 1.095 590 S HN 0.134 nan 8.310 nan 0.000 0.476 591 I N 3.052 123.625 120.570 0.004 0.000 2.686 591 I HA 0.662 4.830 4.170 -0.002 0.000 0.295 591 I C -1.888 174.247 176.117 0.029 0.000 1.114 591 I CA -0.780 60.523 61.300 0.004 0.000 1.038 591 I CB 1.834 39.820 38.000 -0.022 0.000 1.238 591 I HN 0.572 nan 8.210 nan 0.000 0.420 592 L N 7.624 128.872 121.223 0.042 0.000 2.445 592 L HA 0.601 4.939 4.340 -0.002 0.000 0.262 592 L C -1.165 175.737 176.870 0.052 0.000 0.974 592 L CA -0.584 54.287 54.840 0.050 0.000 0.822 592 L CB 2.123 44.218 42.059 0.059 0.000 1.339 592 L HN 0.551 nan 8.230 nan 0.000 0.409 593 M N 2.422 122.046 119.600 0.041 0.000 2.023 593 M HA 0.737 5.216 4.480 -0.002 0.000 0.325 593 M C -1.246 175.069 176.300 0.024 0.000 0.963 593 M CA -0.252 55.070 55.300 0.037 0.000 0.928 593 M CB 1.106 33.718 32.600 0.020 0.000 1.429 593 M HN 0.468 nan 8.290 nan 0.000 0.404 594 T N 0.337 114.886 114.554 -0.009 0.000 2.900 594 T HA 0.596 4.945 4.350 -0.002 0.000 0.295 594 T C -0.269 174.335 174.700 -0.161 0.000 1.044 594 T CA -0.683 61.376 62.100 -0.068 0.000 0.995 594 T CB 2.119 70.936 68.868 -0.085 0.000 1.072 594 T HN 0.570 nan 8.240 nan 0.000 0.473 595 T N 1.740 116.263 114.554 -0.053 0.000 2.895 595 T HA 0.592 4.941 4.350 -0.002 0.000 0.283 595 T C 0.025 174.730 174.700 0.009 0.000 1.014 595 T CA -0.588 61.537 62.100 0.041 0.000 1.037 595 T CB 0.873 69.899 68.868 0.264 0.000 1.006 595 T HN 0.599 nan 8.240 nan 0.000 0.468 596 F N -0.028 120.054 119.950 0.221 0.000 2.537 596 F HA 0.364 4.890 4.527 -0.002 0.000 0.275 596 F C 1.523 177.366 175.800 0.072 0.000 0.947 596 F CA -0.541 57.517 58.000 0.098 0.000 1.238 596 F CB 0.718 39.731 39.000 0.022 0.000 1.071 596 F HN 0.461 nan 8.300 nan 0.000 0.749 597 E N -0.282 120.066 120.200 0.246 0.000 3.372 597 E HA 0.212 4.561 4.350 -0.002 0.000 0.139 597 E C 0.303 176.909 176.600 0.010 0.000 0.919 597 E CA -0.271 56.179 56.400 0.082 0.000 0.891 597 E CB 0.420 30.076 29.700 -0.073 0.000 1.971 597 E HN -0.255 nan 8.360 nan 0.000 0.384 598 S N 0.458 116.204 115.700 0.076 0.000 2.851 598 S HA 0.156 4.625 4.470 -0.002 0.000 0.227 598 S C -0.208 174.386 174.600 -0.009 0.000 0.958 598 S CA 0.148 58.389 58.200 0.068 0.000 0.990 598 S CB -0.167 63.148 63.200 0.190 0.000 0.790 598 S HN 0.165 nan 8.310 nan 0.000 0.509 599 S N 1.504 117.152 115.700 -0.086 0.000 2.619 599 S HA 0.359 4.828 4.470 -0.002 0.000 0.280 599 S C -0.938 173.263 174.600 -0.665 0.000 1.150 599 S CA -0.782 57.170 58.200 -0.412 0.000 0.978 599 S CB 0.963 63.878 63.200 -0.474 0.000 1.041 599 S HN 0.362 nan 8.310 nan 0.000 0.485 600 H N 1.907 120.727 119.070 -0.417 0.000 2.487 600 H HA 0.430 4.985 4.556 -0.002 0.000 0.333 600 H C -1.092 173.980 175.328 -0.425 0.000 1.114 600 H CA 0.162 56.038 56.048 -0.287 0.000 1.310 600 H CB 0.737 30.424 29.762 -0.126 0.000 1.462 600 H HN 0.550 nan 8.280 nan 0.000 0.516 601 Y N 1.511 121.816 120.300 0.007 0.000 2.462 601 Y HA 0.293 4.841 4.550 -0.002 0.000 0.346 601 Y C -0.366 175.534 175.900 0.001 0.000 0.976 601 Y CA -0.926 57.156 58.100 -0.030 0.000 1.044 601 Y CB 2.051 40.412 38.460 -0.165 0.000 1.230 601 Y HN 0.305 nan 8.280 nan 0.000 0.455 602 L N 5.014 126.395 121.223 0.264 0.000 2.446 602 L HA 0.560 4.899 4.340 -0.002 0.000 0.268 602 L C -1.733 175.288 176.870 0.252 0.000 0.975 602 L CA -0.670 54.287 54.840 0.195 0.000 0.848 602 L CB 1.154 43.317 42.059 0.173 0.000 1.225 602 L HN 0.657 nan 8.230 nan 0.000 0.410 603 L N 4.297 125.627 121.223 0.177 0.000 2.346 603 L HA 0.628 4.966 4.340 -0.002 0.000 0.274 603 L C -0.629 176.314 176.870 0.120 0.000 1.007 603 L CA -0.548 54.413 54.840 0.201 0.000 0.818 603 L CB 2.348 44.507 42.059 0.166 0.000 1.284 603 L HN 0.651 nan 8.230 nan 0.000 0.424 604 C N 3.249 122.623 119.300 0.124 0.000 2.442 604 C HA 0.812 5.270 4.460 -0.002 0.000 0.335 604 C C 0.134 175.093 174.990 -0.052 0.000 1.134 604 C CA -0.472 58.561 59.018 0.026 0.000 1.344 604 C CB 0.238 27.986 27.740 0.013 0.000 1.956 604 C HN 0.867 nan 8.230 nan 0.000 0.438 605 A N 6.695 129.461 122.820 -0.090 0.000 2.305 605 A HA 0.774 5.093 4.320 -0.002 0.000 0.322 605 A C -0.313 177.141 177.584 -0.216 0.000 1.187 605 A CA -0.418 51.523 52.037 -0.158 0.000 0.825 605 A CB 0.563 19.499 19.000 -0.106 0.000 1.164 605 A HN 0.933 nan 8.150 nan 0.000 0.498 606 L N 1.534 122.571 121.223 -0.310 0.000 2.642 606 L HA 0.515 4.854 4.340 -0.002 0.000 0.229 606 L C 1.609 178.358 176.870 -0.202 0.000 1.179 606 L CA -0.006 54.668 54.840 -0.276 0.000 0.834 606 L CB 0.613 42.471 42.059 -0.336 0.000 1.515 606 L HN 0.810 nan 8.230 nan 0.000 0.512 607 G N -1.353 107.338 108.800 -0.181 0.000 3.192 607 G HA2 -0.037 3.921 3.960 -0.002 0.000 0.239 607 G HA3 -0.037 3.921 3.960 -0.002 0.000 0.239 607 G C 0.674 175.501 174.900 -0.121 0.000 1.084 607 G CA 0.178 45.193 45.100 -0.142 0.000 0.784 607 G HN 0.735 nan 8.290 nan 0.000 0.540 608 D N -0.149 120.174 120.400 -0.127 0.000 2.249 608 D HA 0.184 4.823 4.640 -0.002 0.000 0.205 608 D C 1.725 177.969 176.300 -0.094 0.000 0.962 608 D CA 1.225 55.167 54.000 -0.097 0.000 0.860 608 D CB -0.211 40.538 40.800 -0.085 0.000 0.955 608 D HN 0.440 nan 8.370 nan 0.000 0.505 609 G N -0.550 108.178 108.800 -0.120 0.000 2.935 609 G HA2 0.138 4.096 3.960 -0.002 0.000 0.213 609 G HA3 0.138 4.096 3.960 -0.002 0.000 0.213 609 G C 0.333 175.153 174.900 -0.133 0.000 0.984 609 G CA 0.092 45.124 45.100 -0.113 0.000 0.790 609 G HN 0.646 nan 8.290 nan 0.000 0.538 610 A N 0.198 122.914 122.820 -0.172 0.000 2.322 610 A HA 0.848 5.166 4.320 -0.002 0.000 0.269 610 A C -0.336 177.058 177.584 -0.316 0.000 1.094 610 A CA 0.105 52.008 52.037 -0.222 0.000 0.807 610 A CB 1.134 19.949 19.000 -0.308 0.000 1.047 610 A HN 1.326 nan 8.150 nan 0.000 0.487 611 L N 1.284 122.362 121.223 -0.241 0.000 2.408 611 L HA 0.804 5.143 4.340 -0.002 0.000 0.268 611 L C -1.429 175.471 176.870 0.051 0.000 0.986 611 L CA -0.406 54.319 54.840 -0.191 0.000 0.820 611 L CB 1.477 43.504 42.059 -0.053 0.000 1.303 611 L HN 0.723 nan 8.230 nan 0.000 0.411 612 F N 3.561 123.520 119.950 0.015 0.000 2.577 612 F HA 0.581 5.106 4.527 -0.002 0.000 0.318 612 F C -1.037 174.932 175.800 0.281 0.000 1.065 612 F CA -1.061 56.997 58.000 0.097 0.000 0.929 612 F CB 2.008 41.127 39.000 0.198 0.000 1.237 612 F HN 0.341 nan 8.300 nan 0.000 0.468 613 Y N 0.532 121.106 120.300 0.456 0.000 2.406 613 Y HA 0.712 5.261 4.550 -0.002 0.000 0.340 613 Y C -1.952 174.161 175.900 0.355 0.000 0.975 613 Y CA -3.288 55.020 58.100 0.347 0.000 1.056 613 Y CB 0.370 38.949 38.460 0.198 0.000 1.210 613 Y HN 0.435 nan 8.280 nan 0.000 0.448 614 F N 0.962 121.076 119.950 0.274 0.000 2.577 614 F HA 0.823 5.349 4.527 -0.002 0.000 0.318 614 F C 0.547 176.388 175.800 0.069 0.000 1.065 614 F CA -0.912 57.170 58.000 0.136 0.000 0.929 614 F CB 2.663 41.739 39.000 0.126 0.000 1.237 614 F HN 0.843 nan 8.300 nan 0.000 0.468 615 G N 2.367 111.164 108.800 -0.005 0.000 2.367 615 G HA2 0.564 4.523 3.960 -0.002 0.000 0.314 615 G HA3 0.564 4.523 3.960 -0.002 0.000 0.314 615 G C -2.145 172.796 174.900 0.067 0.000 1.130 615 G CA -0.380 44.674 45.100 -0.077 0.000 0.864 615 G HN 0.517 nan 8.290 nan 0.000 0.486 616 L N 1.366 122.602 121.223 0.022 0.000 2.436 616 L HA 0.503 4.841 4.340 -0.002 0.000 0.268 616 L C -1.088 175.800 176.870 0.029 0.000 0.974 616 L CA -1.209 53.664 54.840 0.056 0.000 0.826 616 L CB 1.971 44.067 42.059 0.063 0.000 1.291 616 L HN 0.394 nan 8.230 nan 0.000 0.406 617 N N 5.659 124.369 118.700 0.018 0.000 2.470 617 N HA 0.236 4.974 4.740 -0.002 0.000 0.268 617 N C 1.572 177.056 175.510 -0.043 0.000 1.136 617 N CA -0.063 52.997 53.050 0.017 0.000 0.961 617 N CB 1.188 39.678 38.487 0.006 0.000 1.067 617 N HN 0.819 nan 8.380 nan 0.000 0.468 618 I N -1.020 119.463 120.570 -0.145 0.000 2.462 618 I HA -0.287 3.881 4.170 -0.002 0.000 0.259 618 I C 1.088 177.137 176.117 -0.113 0.000 1.156 618 I CA 1.487 62.626 61.300 -0.268 0.000 1.417 618 I CB -0.136 37.564 38.000 -0.501 0.000 1.088 618 I HN 0.338 nan 8.210 nan 0.000 0.442 619 E N 1.311 121.479 120.200 -0.054 0.000 2.110 619 E HA -0.008 4.341 4.350 -0.002 0.000 0.193 619 E C 2.037 178.628 176.600 -0.016 0.000 0.950 619 E CA 1.756 58.141 56.400 -0.026 0.000 0.840 619 E CB -0.149 29.545 29.700 -0.010 0.000 0.809 619 E HN 0.741 nan 8.360 nan 0.000 0.465 620 T N -2.652 111.896 114.554 -0.011 0.000 3.479 620 T HA 0.485 4.833 4.350 -0.002 0.000 0.197 620 T C 1.250 175.955 174.700 0.009 0.000 0.912 620 T CA 0.456 62.555 62.100 -0.002 0.000 1.281 620 T CB 0.625 69.489 68.868 -0.005 0.000 1.588 620 T HN 0.231 nan 8.240 nan 0.000 0.389 621 G N 1.066 109.877 108.800 0.018 0.000 2.828 621 G HA2 0.274 4.232 3.960 -0.002 0.000 0.226 621 G HA3 0.274 4.232 3.960 -0.002 0.000 0.226 621 G C -0.613 174.335 174.900 0.079 0.000 1.090 621 G CA -0.854 44.273 45.100 0.047 0.000 1.035 621 G HN 0.465 nan 8.290 nan 0.000 0.578 622 L N 1.102 122.349 121.223 0.040 0.000 2.525 622 L HA 0.223 4.561 4.340 -0.002 0.000 0.278 622 L C 1.457 178.383 176.870 0.093 0.000 1.218 622 L CA 0.147 55.002 54.840 0.024 0.000 0.878 622 L CB 0.361 42.403 42.059 -0.029 0.000 1.127 622 L HN 0.250 nan 8.230 nan 0.000 0.492 623 L N 3.910 125.221 121.223 0.146 0.000 2.774 623 L HA -0.048 4.290 4.340 -0.002 0.000 0.284 623 L C 0.887 177.745 176.870 -0.020 0.000 1.149 623 L CA 0.169 55.182 54.840 0.288 0.000 1.069 623 L CB -0.739 41.505 42.059 0.310 0.000 1.407 623 L HN 0.836 nan 8.230 nan 0.000 0.460 624 S N 1.182 116.775 115.700 -0.178 0.000 3.161 624 S HA 0.196 4.665 4.470 -0.002 0.000 0.214 624 S C -0.277 173.981 174.600 -0.570 0.000 1.105 624 S CA -0.667 57.354 58.200 -0.299 0.000 1.369 624 S CB 0.377 63.461 63.200 -0.194 0.000 0.959 624 S HN 0.532 nan 8.310 nan 0.000 0.572 625 D N 1.459 121.546 120.400 -0.520 0.000 2.351 625 D HA 0.413 5.052 4.640 -0.002 0.000 0.251 625 D C -0.051 175.872 176.300 -0.630 0.000 1.137 625 D CA 0.426 54.128 54.000 -0.498 0.000 0.879 625 D CB 0.421 40.967 40.800 -0.423 0.000 1.181 625 D HN 0.096 nan 8.370 nan 0.000 0.448 626 R N 2.130 122.359 120.500 -0.452 0.000 2.621 626 R HA 0.554 4.892 4.340 -0.002 0.000 0.284 626 R C -1.358 174.890 176.300 -0.086 0.000 0.998 626 R CA -0.787 55.155 56.100 -0.263 0.000 0.895 626 R CB 1.504 31.629 30.300 -0.292 0.000 1.195 626 R HN 0.476 nan 8.270 nan 0.000 0.450 627 K N 2.646 123.115 120.400 0.116 0.000 2.600 627 K HA 0.103 4.421 4.320 -0.002 0.000 0.262 627 K C -1.761 174.822 176.600 -0.028 0.000 0.935 627 K CA -0.651 55.690 56.287 0.090 0.000 0.866 627 K CB 1.593 34.221 32.500 0.214 0.000 1.354 627 K HN 0.452 nan 8.250 nan 0.000 0.419 628 K N 3.738 124.021 120.400 -0.195 0.000 2.315 628 K HA 0.239 4.558 4.320 -0.002 0.000 0.291 628 K C -1.056 175.622 176.600 0.131 0.000 1.074 628 K CA -0.400 55.895 56.287 0.013 0.000 0.936 628 K CB 0.522 33.066 32.500 0.073 0.000 1.049 628 K HN 0.298 nan 8.250 nan 0.000 0.471 629 V N 3.479 123.481 119.914 0.146 0.000 2.581 629 V HA 0.371 4.490 4.120 -0.002 0.000 0.303 629 V C 0.289 176.459 176.094 0.128 0.000 1.041 629 V CA -0.914 61.458 62.300 0.119 0.000 0.907 629 V CB 1.487 33.364 31.823 0.090 0.000 0.994 629 V HN 0.909 nan 8.190 nan 0.000 0.442 630 T N 2.705 117.310 114.554 0.084 0.000 2.950 630 T HA 0.834 5.183 4.350 -0.002 0.000 0.288 630 T C -0.343 174.317 174.700 -0.067 0.000 1.035 630 T CA -0.510 61.594 62.100 0.007 0.000 1.028 630 T CB 1.644 70.522 68.868 0.016 0.000 1.109 630 T HN 0.405 nan 8.240 nan 0.000 0.514 631 L N 0.149 121.303 121.223 -0.115 0.000 2.961 631 L HA 0.657 4.996 4.340 -0.002 0.000 0.229 631 L C 1.798 178.591 176.870 -0.129 0.000 2.040 631 L CA -1.146 53.589 54.840 -0.176 0.000 2.399 631 L CB -0.159 41.757 42.059 -0.240 0.000 2.432 631 L HN 0.920 nan 8.230 nan 0.000 0.587 632 G N -0.398 108.321 108.800 -0.134 0.000 2.379 632 G HA2 0.092 4.050 3.960 -0.002 0.000 0.287 632 G HA3 0.092 4.050 3.960 -0.002 0.000 0.287 632 G C 0.701 175.550 174.900 -0.084 0.000 1.422 632 G CA 0.727 45.765 45.100 -0.103 0.000 1.081 632 G HN 0.648 nan 8.290 nan 0.000 0.569 633 T N -3.015 111.495 114.554 -0.073 0.000 3.044 633 T HA 0.285 4.633 4.350 -0.002 0.000 0.260 633 T C 0.662 175.321 174.700 -0.069 0.000 1.019 633 T CA -0.039 62.024 62.100 -0.063 0.000 0.921 633 T CB 0.442 69.282 68.868 -0.047 0.000 1.053 633 T HN 0.268 nan 8.240 nan 0.000 0.533 634 Q N 2.086 121.839 119.800 -0.079 0.000 2.193 634 Q HA 0.475 4.813 4.340 -0.002 0.000 0.246 634 Q C -2.800 173.141 176.000 -0.099 0.000 0.959 634 Q CA -2.932 52.822 55.803 -0.081 0.000 0.904 634 Q CB 0.738 29.426 28.738 -0.083 0.000 1.238 634 Q HN 0.138 nan 8.270 nan 0.000 0.469 635 P HA 0.051 nan 4.420 nan 0.000 0.267 635 P C -0.541 176.691 177.300 -0.114 0.000 1.205 635 P CA 0.151 63.188 63.100 -0.106 0.000 0.765 635 P CB 0.252 31.899 31.700 -0.088 0.000 0.828 636 T N 1.952 116.436 114.554 -0.116 0.000 2.868 636 T HA 0.288 4.636 4.350 -0.002 0.000 0.292 636 T C 0.253 174.905 174.700 -0.080 0.000 1.028 636 T CA -0.190 61.846 62.100 -0.107 0.000 1.059 636 T CB 0.473 69.275 68.868 -0.109 0.000 0.991 636 T HN 0.107 nan 8.240 nan 0.000 0.531 637 V N 3.818 123.693 119.914 -0.064 0.000 2.380 637 V HA 0.243 4.362 4.120 -0.002 0.000 0.272 637 V C -0.394 175.717 176.094 0.028 0.000 1.011 637 V CA -0.910 61.375 62.300 -0.024 0.000 0.826 637 V CB 0.629 32.389 31.823 -0.105 0.000 1.040 637 V HN 0.574 nan 8.190 nan 0.000 0.441 638 L N 3.554 124.800 121.223 0.040 0.000 2.474 638 L HA 0.688 5.026 4.340 -0.002 0.000 0.259 638 L C 0.279 177.200 176.870 0.086 0.000 1.232 638 L CA 0.456 55.336 54.840 0.068 0.000 0.821 638 L CB 0.133 42.227 42.059 0.059 0.000 1.108 638 L HN 0.795 nan 8.230 nan 0.000 0.495 639 R N -1.406 119.148 120.500 0.091 0.000 3.231 639 R HA 0.415 4.754 4.340 -0.002 0.000 0.279 639 R C -1.791 174.532 176.300 0.039 0.000 0.990 639 R CA -0.362 55.783 56.100 0.074 0.000 0.879 639 R CB 0.517 30.861 30.300 0.073 0.000 1.289 639 R HN 0.621 nan 8.270 nan 0.000 0.529 640 T N 3.633 118.192 114.554 0.008 0.000 2.807 640 T HA 0.716 5.065 4.350 -0.002 0.000 0.279 640 T C -1.031 173.647 174.700 -0.037 0.000 0.993 640 T CA -0.367 61.689 62.100 -0.074 0.000 0.970 640 T CB 0.387 69.258 68.868 0.005 0.000 0.950 640 T HN 0.357 nan 8.240 nan 0.000 0.441 641 F N 0.018 119.973 119.950 0.009 0.000 2.593 641 F HA 0.732 5.258 4.527 -0.002 0.000 0.320 641 F C -0.157 175.629 175.800 -0.024 0.000 1.060 641 F CA -2.058 55.921 58.000 -0.036 0.000 0.940 641 F CB 1.267 40.223 39.000 -0.073 0.000 1.268 641 F HN 0.404 nan 8.300 nan 0.000 0.475 642 R N 1.931 122.612 120.500 0.300 0.000 2.210 642 R HA 0.426 4.765 4.340 -0.002 0.000 0.338 642 R C 0.098 176.548 176.300 0.251 0.000 1.062 642 R CA 0.238 56.474 56.100 0.227 0.000 0.902 642 R CB 0.619 31.006 30.300 0.145 0.000 1.050 642 R HN 1.078 nan 8.270 nan 0.000 0.461 643 S N 5.383 121.246 115.700 0.271 0.000 3.224 643 S HA 0.155 4.623 4.470 -0.002 0.000 0.171 643 S C 1.343 176.040 174.600 0.163 0.000 0.846 643 S CA -0.216 58.111 58.200 0.211 0.000 1.328 643 S CB -0.502 62.874 63.200 0.294 0.000 0.614 643 S HN 0.560 nan 8.310 nan 0.000 0.578 644 L N 0.381 121.706 121.223 0.170 0.000 2.543 644 L HA 0.494 4.833 4.340 -0.002 0.000 0.181 644 L C 2.397 179.335 176.870 0.113 0.000 1.437 644 L CA 0.190 55.108 54.840 0.130 0.000 3.059 644 L CB -1.019 41.117 42.059 0.129 0.000 2.916 644 L HN 0.623 nan 8.230 nan 0.000 1.037 645 S N -1.137 114.625 115.700 0.102 0.000 2.441 645 S HA -0.082 4.387 4.470 -0.002 0.000 0.224 645 S C 1.673 176.327 174.600 0.091 0.000 1.043 645 S CA 0.531 58.786 58.200 0.092 0.000 0.948 645 S CB -1.137 62.111 63.200 0.080 0.000 0.810 645 S HN 0.730 nan 8.310 nan 0.000 0.504 646 T N 2.630 117.239 114.554 0.091 0.000 3.609 646 T HA 0.180 4.528 4.350 -0.002 0.000 0.245 646 T C 0.545 175.228 174.700 -0.030 0.000 0.980 646 T CA 0.125 62.261 62.100 0.060 0.000 0.940 646 T CB -1.925 66.989 68.868 0.077 0.000 1.105 646 T HN 0.536 nan 8.240 nan 0.000 0.627 647 T N 1.494 116.046 114.554 -0.002 0.000 2.923 647 T HA 0.165 4.514 4.350 -0.002 0.000 0.320 647 T C 0.085 174.574 174.700 -0.351 0.000 1.074 647 T CA -0.377 61.679 62.100 -0.073 0.000 1.131 647 T CB 0.387 69.278 68.868 0.039 0.000 1.058 647 T HN 0.523 nan 8.240 nan 0.000 0.535 648 N N -0.530 117.762 118.700 -0.680 0.000 3.344 648 N HA 0.513 5.251 4.740 -0.002 0.000 0.296 648 N C -1.282 173.500 175.510 -1.214 0.000 1.571 648 N CA -0.614 51.784 53.050 -1.087 0.000 0.844 648 N CB 1.877 39.604 38.487 -1.267 0.000 1.718 648 N HN 0.739 nan 8.380 nan 0.000 0.589 649 V N -0.934 118.554 119.914 -0.711 0.000 2.417 649 V HA 0.618 4.736 4.120 -0.002 0.000 0.291 649 V C -0.600 175.457 176.094 -0.061 0.000 1.024 649 V CA -0.727 61.364 62.300 -0.348 0.000 0.861 649 V CB 0.869 32.715 31.823 0.038 0.000 0.985 649 V HN 0.527 nan 8.190 nan 0.000 0.436 650 F N 4.179 124.149 119.950 0.033 0.000 2.404 650 F HA 0.748 5.274 4.527 -0.002 0.000 0.345 650 F C 0.664 176.500 175.800 0.059 0.000 1.110 650 F CA -0.249 57.884 58.000 0.222 0.000 1.130 650 F CB 1.207 40.397 39.000 0.316 0.000 1.129 650 F HN 0.861 nan 8.300 nan 0.000 0.500 651 A N 6.078 128.742 122.820 -0.260 0.000 2.341 651 A HA 0.469 4.787 4.320 -0.002 0.000 0.326 651 A C -0.698 176.789 177.584 -0.163 0.000 1.402 651 A CA -0.514 51.431 52.037 -0.155 0.000 0.957 651 A CB -0.531 18.335 19.000 -0.222 0.000 1.151 651 A HN 0.831 nan 8.150 nan 0.000 0.533 652 C N 2.004 121.346 119.300 0.071 0.000 2.593 652 C HA 0.733 5.191 4.460 -0.002 0.000 0.409 652 C C 1.079 176.018 174.990 -0.084 0.000 1.304 652 C CA 0.259 59.316 59.018 0.065 0.000 2.007 652 C CB -0.342 27.427 27.740 0.048 0.000 2.614 652 C HN 0.996 nan 8.230 nan 0.000 0.585 653 S N 0.724 116.367 115.700 -0.095 0.000 2.656 653 S HA 0.179 4.648 4.470 -0.002 0.000 0.265 653 S C 0.203 174.744 174.600 -0.098 0.000 1.110 653 S CA -0.236 57.894 58.200 -0.118 0.000 0.821 653 S CB 0.674 63.791 63.200 -0.138 0.000 1.099 653 S HN 0.861 nan 8.310 nan 0.000 0.471 654 D N 0.868 121.212 120.400 -0.092 0.000 2.403 654 D HA -0.090 4.549 4.640 -0.002 0.000 0.227 654 D C 0.524 176.777 176.300 -0.079 0.000 0.995 654 D CA 0.472 54.427 54.000 -0.075 0.000 0.928 654 D CB -0.014 40.747 40.800 -0.065 0.000 0.887 654 D HN 0.385 nan 8.370 nan 0.000 0.529 655 R N 0.608 121.047 120.500 -0.102 0.000 2.754 655 R HA 0.238 4.576 4.340 -0.002 0.000 0.255 655 R C -2.947 173.256 176.300 -0.162 0.000 1.723 655 R CA -1.365 54.666 56.100 -0.116 0.000 1.596 655 R CB 1.273 31.502 30.300 -0.117 0.000 1.424 655 R HN -0.069 nan 8.270 nan 0.000 0.662 656 P HA 0.035 nan 4.420 nan 0.000 0.263 656 P C -0.878 176.205 177.300 -0.363 0.000 1.195 656 P CA 0.615 63.561 63.100 -0.257 0.000 0.762 656 P CB 1.013 32.633 31.700 -0.135 0.000 0.799 657 T N 2.243 116.480 114.554 -0.529 0.000 2.909 657 T HA 0.458 4.806 4.350 -0.002 0.000 0.299 657 T C -0.526 173.897 174.700 -0.463 0.000 1.073 657 T CA -0.463 61.377 62.100 -0.433 0.000 0.999 657 T CB 1.316 69.930 68.868 -0.424 0.000 1.098 657 T HN -0.067 nan 8.240 nan 0.000 0.477 658 V N 3.143 122.922 119.914 -0.226 0.000 2.667 658 V HA 0.570 4.689 4.120 -0.002 0.000 0.308 658 V C -0.404 175.751 176.094 0.101 0.000 1.048 658 V CA -0.877 61.401 62.300 -0.038 0.000 0.928 658 V CB 1.761 33.647 31.823 0.105 0.000 1.004 658 V HN 0.759 nan 8.190 nan 0.000 0.444 659 I N 4.235 124.876 120.570 0.118 0.000 2.460 659 I HA 0.388 4.557 4.170 -0.002 0.000 0.277 659 I C -0.606 175.491 176.117 -0.033 0.000 1.057 659 I CA -0.227 61.206 61.300 0.221 0.000 1.179 659 I CB 0.270 38.470 38.000 0.332 0.000 1.329 659 I HN 0.531 nan 8.210 nan 0.000 0.478 660 Y N 3.063 123.347 120.300 -0.027 0.000 2.865 660 Y HA 0.471 5.019 4.550 -0.002 0.000 0.404 660 Y C 0.874 176.662 175.900 -0.186 0.000 1.281 660 Y CA -0.096 57.908 58.100 -0.160 0.000 1.502 660 Y CB 1.021 39.469 38.460 -0.020 0.000 1.563 660 Y HN 0.367 nan 8.280 nan 0.000 0.763 661 S N -1.078 114.686 115.700 0.107 0.000 2.533 661 S HA 0.309 4.778 4.470 -0.002 0.000 0.271 661 S C -0.310 174.325 174.600 0.059 0.000 1.143 661 S CA -0.391 57.847 58.200 0.063 0.000 0.891 661 S CB 1.695 64.910 63.200 0.025 0.000 1.105 661 S HN 0.640 nan 8.310 nan 0.000 0.468 662 S N 2.371 118.103 115.700 0.053 0.000 3.414 662 S HA 0.187 4.656 4.470 -0.002 0.000 0.193 662 S C 1.086 175.707 174.600 0.035 0.000 0.825 662 S CA 0.414 58.638 58.200 0.040 0.000 0.837 662 S CB -0.536 62.690 63.200 0.045 0.000 0.940 662 S HN 0.663 nan 8.310 nan 0.000 0.639 663 N N -0.225 118.503 118.700 0.048 0.000 2.511 663 N HA 0.062 4.800 4.740 -0.002 0.000 0.190 663 N C 1.153 176.733 175.510 0.116 0.000 1.037 663 N CA 0.655 53.736 53.050 0.051 0.000 0.895 663 N CB 0.464 38.966 38.487 0.024 0.000 1.149 663 N HN 0.527 nan 8.380 nan 0.000 0.437 664 H N -1.037 118.057 119.070 0.040 0.000 3.651 664 H HA 0.298 4.852 4.556 -0.002 0.000 0.269 664 H C -0.801 174.588 175.328 0.103 0.000 1.108 664 H CA -0.192 55.901 56.048 0.075 0.000 1.173 664 H CB 0.029 29.821 29.762 0.050 0.000 2.066 664 H HN 0.084 nan 8.280 nan 0.000 0.867 665 K N 0.638 121.173 120.400 0.226 0.000 2.399 665 K HA 0.548 4.866 4.320 -0.002 0.000 0.247 665 K C -0.349 176.324 176.600 0.122 0.000 1.036 665 K CA -0.597 55.783 56.287 0.155 0.000 0.977 665 K CB 0.957 33.495 32.500 0.064 0.000 1.272 665 K HN 0.035 nan 8.250 nan 0.000 0.501 666 L N 1.973 123.232 121.223 0.060 0.000 2.362 666 L HA 0.379 4.717 4.340 -0.002 0.000 0.275 666 L C -0.304 176.620 176.870 0.090 0.000 0.998 666 L CA -1.280 53.600 54.840 0.067 0.000 0.820 666 L CB 1.724 43.803 42.059 0.034 0.000 1.270 666 L HN 0.362 nan 8.230 nan 0.000 0.415 667 V N 1.781 121.808 119.914 0.188 0.000 3.376 667 V HA 0.088 4.206 4.120 -0.002 0.000 0.303 667 V C -0.152 176.220 176.094 0.462 0.000 1.100 667 V CA 0.247 62.697 62.300 0.250 0.000 1.126 667 V CB 0.855 32.819 31.823 0.234 0.000 1.085 667 V HN 0.558 nan 8.190 nan 0.000 0.480 668 F N 0.303 120.312 119.950 0.098 0.000 2.556 668 F HA 0.356 4.881 4.527 -0.002 0.000 0.384 668 F C 0.467 176.294 175.800 0.045 0.000 1.493 668 F CA -0.596 57.444 58.000 0.067 0.000 1.119 668 F CB 0.416 39.457 39.000 0.069 0.000 1.280 668 F HN 0.432 nan 8.300 nan 0.000 0.525 669 S N -0.393 115.389 115.700 0.136 0.000 2.687 669 S HA 0.432 4.900 4.470 -0.002 0.000 0.283 669 S C -0.049 174.535 174.600 -0.027 0.000 1.170 669 S CA -0.767 57.467 58.200 0.056 0.000 1.008 669 S CB 1.315 64.567 63.200 0.086 0.000 1.026 669 S HN 0.321 nan 8.310 nan 0.000 0.541 670 N N 0.079 118.757 118.700 -0.038 0.000 2.529 670 N HA 0.369 5.108 4.740 -0.002 0.000 0.278 670 N C -1.117 174.356 175.510 -0.062 0.000 1.146 670 N CA -0.515 52.488 53.050 -0.077 0.000 0.980 670 N CB 0.741 39.191 38.487 -0.061 0.000 1.124 670 N HN 0.228 nan 8.380 nan 0.000 0.458 671 V N 2.484 122.338 119.914 -0.099 0.000 2.432 671 V HA 0.103 4.221 4.120 -0.002 0.000 0.275 671 V C 0.073 176.135 176.094 -0.052 0.000 1.043 671 V CA -0.761 61.499 62.300 -0.067 0.000 0.925 671 V CB 0.782 32.560 31.823 -0.076 0.000 0.985 671 V HN 0.648 nan 8.190 nan 0.000 0.466 672 N N 6.654 125.328 118.700 -0.042 0.000 2.819 672 N HA 0.376 5.114 4.740 -0.002 0.000 0.284 672 N C -0.723 174.767 175.510 -0.034 0.000 1.196 672 N CA 0.237 53.264 53.050 -0.038 0.000 1.114 672 N CB 0.282 38.746 38.487 -0.038 0.000 1.437 672 N HN 0.550 nan 8.380 nan 0.000 0.518 673 L N 0.282 121.489 121.223 -0.027 0.000 2.409 673 L HA 0.314 4.652 4.340 -0.002 0.000 0.255 673 L C 1.280 178.137 176.870 -0.022 0.000 1.027 673 L CA -0.829 54.000 54.840 -0.019 0.000 0.834 673 L CB 1.938 43.996 42.059 -0.002 0.000 1.426 673 L HN 0.018 nan 8.230 nan 0.000 0.411 674 K N 1.134 121.523 120.400 -0.019 0.000 1.991 674 K HA -0.067 4.251 4.320 -0.002 0.000 0.212 674 K C 0.049 176.633 176.600 -0.026 0.000 1.049 674 K CA 1.779 58.053 56.287 -0.021 0.000 0.932 674 K CB 0.190 32.679 32.500 -0.018 0.000 0.717 674 K HN 0.607 nan 8.250 nan 0.000 0.441 675 E N -1.214 118.973 120.200 -0.022 0.000 3.127 675 E HA 0.167 4.516 4.350 -0.002 0.000 0.338 675 E C -1.930 174.660 176.600 -0.018 0.000 1.049 675 E CA -0.452 55.931 56.400 -0.028 0.000 0.864 675 E CB 1.056 30.733 29.700 -0.037 0.000 1.247 675 E HN -0.074 nan 8.360 nan 0.000 0.452 676 V N 5.366 125.280 119.914 -0.001 0.000 2.350 676 V HA 0.240 4.359 4.120 -0.002 0.000 0.285 676 V C 0.517 176.577 176.094 -0.057 0.000 1.014 676 V CA -0.654 61.654 62.300 0.013 0.000 0.831 676 V CB 1.344 33.254 31.823 0.145 0.000 1.000 676 V HN 0.677 nan 8.190 nan 0.000 0.433 677 N N 3.703 122.328 118.700 -0.125 0.000 2.300 677 N HA 0.044 4.783 4.740 -0.002 0.000 0.179 677 N C -0.428 174.637 175.510 -0.742 0.000 1.016 677 N CA 1.170 54.004 53.050 -0.360 0.000 0.876 677 N CB 0.211 38.541 38.487 -0.262 0.000 0.979 677 N HN 0.661 nan 8.380 nan 0.000 0.432 678 Y N -1.270 118.987 120.300 -0.072 0.000 2.609 678 Y HA 0.484 5.033 4.550 -0.002 0.000 0.336 678 Y C -0.315 175.462 175.900 -0.205 0.000 1.129 678 Y CA -1.139 56.878 58.100 -0.137 0.000 1.040 678 Y CB 1.795 40.133 38.460 -0.203 0.000 1.310 678 Y HN -0.247 nan 8.280 nan 0.000 0.460 679 M N 3.163 122.702 119.600 -0.103 0.000 2.333 679 M HA 0.559 5.038 4.480 -0.002 0.000 0.286 679 M C -2.154 173.992 176.300 -0.257 0.000 1.113 679 M CA -0.550 54.593 55.300 -0.262 0.000 0.959 679 M CB 1.047 33.346 32.600 -0.503 0.000 1.776 679 M HN 0.882 nan 8.290 nan 0.000 0.492 680 C N 3.177 122.313 119.300 -0.272 0.000 2.493 680 C HA 0.985 5.443 4.460 -0.002 0.000 0.326 680 C C -2.476 172.397 174.990 -0.196 0.000 1.200 680 C CA -1.417 57.462 59.018 -0.232 0.000 1.739 680 C CB 1.331 28.906 27.740 -0.276 0.000 2.300 680 C HN 0.698 nan 8.230 nan 0.000 0.500 681 P HA 0.657 nan 4.420 nan 0.000 0.318 681 P C -0.919 176.276 177.300 -0.174 0.000 1.309 681 P CA -0.329 62.708 63.100 -0.105 0.000 0.736 681 P CB 0.351 32.046 31.700 -0.008 0.000 1.440 682 L N -1.339 119.798 121.223 -0.143 0.000 2.940 682 L HA 0.417 4.755 4.340 -0.002 0.000 0.270 682 L C -0.230 176.639 176.870 -0.002 0.000 1.030 682 L CA -0.191 54.544 54.840 -0.176 0.000 0.928 682 L CB 1.640 43.635 42.059 -0.107 0.000 1.506 682 L HN 0.212 nan 8.230 nan 0.000 0.405 683 N N -0.732 118.068 118.700 0.167 0.000 2.272 683 N HA 0.062 4.801 4.740 -0.002 0.000 0.228 683 N C -0.067 175.616 175.510 0.288 0.000 1.206 683 N CA 0.785 54.020 53.050 0.308 0.000 0.855 683 N CB 0.790 39.557 38.487 0.466 0.000 1.248 683 N HN 0.602 nan 8.380 nan 0.000 0.476 684 S N 1.614 117.527 115.700 0.356 0.000 3.028 684 S HA -0.192 4.276 4.470 -0.002 0.000 0.367 684 S C 1.335 176.055 174.600 0.199 0.000 1.192 684 S CA 0.898 59.267 58.200 0.281 0.000 0.959 684 S CB 0.290 63.656 63.200 0.276 0.000 0.637 684 S HN 0.485 nan 8.310 nan 0.000 0.461 685 D N 4.221 124.706 120.400 0.142 0.000 2.084 685 D HA -0.074 4.565 4.640 -0.002 0.000 0.194 685 D C 1.897 178.229 176.300 0.054 0.000 0.990 685 D CA 1.818 55.868 54.000 0.084 0.000 0.826 685 D CB -1.366 39.465 40.800 0.051 0.000 0.971 685 D HN 0.698 nan 8.370 nan 0.000 0.453 686 G N -1.834 106.994 108.800 0.047 0.000 2.882 686 G HA2 -0.062 3.896 3.960 -0.002 0.000 0.206 686 G HA3 -0.062 3.896 3.960 -0.002 0.000 0.206 686 G C -0.181 174.523 174.900 -0.326 0.000 1.155 686 G CA 0.190 45.220 45.100 -0.116 0.000 0.800 686 G HN 0.382 nan 8.290 nan 0.000 0.524 687 Y N -1.792 118.561 120.300 0.088 0.000 2.813 687 Y HA 0.250 4.799 4.550 -0.002 0.000 0.269 687 Y C -1.846 174.118 175.900 0.107 0.000 0.963 687 Y CA -1.517 56.655 58.100 0.119 0.000 1.147 687 Y CB 0.984 39.511 38.460 0.111 0.000 1.174 687 Y HN -0.019 nan 8.280 nan 0.000 0.606 688 P HA -0.243 nan 4.420 nan 0.000 0.218 688 P C 0.794 178.178 177.300 0.140 0.000 1.165 688 P CA 2.024 65.216 63.100 0.152 0.000 0.922 688 P CB 0.338 32.102 31.700 0.107 0.000 0.794 689 D N -1.353 119.122 120.400 0.126 0.000 3.010 689 D HA 0.170 4.809 4.640 -0.002 0.000 0.347 689 D C -0.147 176.191 176.300 0.063 0.000 1.340 689 D CA -0.040 54.017 54.000 0.095 0.000 0.858 689 D CB 0.047 40.899 40.800 0.087 0.000 1.111 689 D HN -0.013 nan 8.370 nan 0.000 0.482 690 S N -0.458 115.277 115.700 0.059 0.000 2.607 690 S HA 0.694 5.163 4.470 -0.002 0.000 0.272 690 S C 0.132 174.680 174.600 -0.086 0.000 1.166 690 S CA -0.419 57.780 58.200 -0.002 0.000 1.021 690 S CB 1.101 64.322 63.200 0.035 0.000 1.113 690 S HN 0.294 nan 8.310 nan 0.000 0.531 691 L N -0.182 120.948 121.223 -0.155 0.000 2.545 691 L HA 0.657 4.996 4.340 -0.002 0.000 0.258 691 L C -0.936 175.790 176.870 -0.241 0.000 0.942 691 L CA -0.831 53.883 54.840 -0.210 0.000 0.855 691 L CB 1.875 43.769 42.059 -0.276 0.000 1.374 691 L HN 0.696 nan 8.230 nan 0.000 0.411 692 A N 2.480 125.149 122.820 -0.250 0.000 2.337 692 A HA 1.000 5.319 4.320 -0.002 0.000 0.331 692 A C -1.262 176.172 177.584 -0.250 0.000 1.137 692 A CA -0.453 51.440 52.037 -0.240 0.000 0.807 692 A CB 1.665 20.534 19.000 -0.218 0.000 1.250 692 A HN 0.532 nan 8.150 nan 0.000 0.468 693 L N 0.820 121.920 121.223 -0.204 0.000 2.676 693 L HA 0.579 4.918 4.340 -0.002 0.000 0.262 693 L C 0.156 176.960 176.870 -0.110 0.000 0.965 693 L CA 0.315 55.043 54.840 -0.186 0.000 0.920 693 L CB 1.451 43.389 42.059 -0.202 0.000 1.260 693 L HN 0.986 nan 8.230 nan 0.000 0.422 694 A N 3.282 126.064 122.820 -0.064 0.000 2.269 694 A HA 0.971 5.290 4.320 -0.002 0.000 0.327 694 A C -0.439 177.145 177.584 -0.000 0.000 1.112 694 A CA -0.344 51.684 52.037 -0.014 0.000 0.865 694 A CB 1.073 20.096 19.000 0.038 0.000 1.227 694 A HN 0.771 nan 8.150 nan 0.000 0.498 695 N N -0.949 117.756 118.700 0.008 0.000 3.344 695 N HA 0.095 4.834 4.740 -0.002 0.000 0.296 695 N C -0.250 175.266 175.510 0.011 0.000 1.571 695 N CA -0.670 52.381 53.050 0.002 0.000 0.844 695 N CB 0.060 38.537 38.487 -0.017 0.000 1.718 695 N HN 0.374 nan 8.380 nan 0.000 0.589 696 N N 0.525 119.225 118.700 -0.000 0.000 1.987 696 N HA -0.278 4.461 4.740 -0.002 0.000 0.147 696 N C 0.172 175.675 175.510 -0.012 0.000 0.635 696 N CA 3.084 56.131 53.050 -0.005 0.000 0.847 696 N CB -0.672 37.807 38.487 -0.013 0.000 0.879 696 N HN 0.814 nan 8.380 nan 0.000 1.211 697 S N -2.921 112.768 115.700 -0.017 0.000 2.835 697 S HA 0.457 4.926 4.470 -0.002 0.000 0.140 697 S C -0.695 173.889 174.600 -0.026 0.000 1.131 697 S CA -0.793 57.390 58.200 -0.028 0.000 1.110 697 S CB 0.613 63.793 63.200 -0.034 0.000 1.683 697 S HN 0.145 nan 8.310 nan 0.000 0.473 698 T N 1.962 116.502 114.554 -0.023 0.000 2.830 698 T HA 0.679 5.028 4.350 -0.002 0.000 0.322 698 T C -1.902 172.781 174.700 -0.029 0.000 1.501 698 T CA -0.712 61.373 62.100 -0.025 0.000 1.036 698 T CB 1.801 70.654 68.868 -0.025 0.000 1.379 698 T HN 0.705 nan 8.240 nan 0.000 0.493 699 L N 2.104 123.305 121.223 -0.036 0.000 2.401 699 L HA 0.914 5.252 4.340 -0.002 0.000 0.266 699 L C -0.849 175.973 176.870 -0.080 0.000 0.991 699 L CA 0.054 54.859 54.840 -0.058 0.000 0.818 699 L CB 2.243 44.270 42.059 -0.053 0.000 1.321 699 L HN 0.956 nan 8.230 nan 0.000 0.413 700 T N 2.792 117.276 114.554 -0.117 0.000 2.853 700 T HA 0.735 5.084 4.350 -0.002 0.000 0.311 700 T C -0.840 173.732 174.700 -0.214 0.000 1.307 700 T CA -0.745 61.266 62.100 -0.148 0.000 1.019 700 T CB 1.523 70.324 68.868 -0.112 0.000 1.264 700 T HN 0.734 nan 8.240 nan 0.000 0.497 701 I N -1.973 118.436 120.570 -0.268 0.000 3.042 701 I HA 1.016 5.184 4.170 -0.002 0.000 0.310 701 I C 0.031 175.934 176.117 -0.358 0.000 1.117 701 I CA -1.015 60.104 61.300 -0.301 0.000 1.003 701 I CB 1.323 39.101 38.000 -0.370 0.000 1.228 701 I HN 1.324 nan 8.210 nan 0.000 0.443 702 G N 1.367 109.990 108.800 -0.295 0.000 2.320 702 G HA2 0.439 4.397 3.960 -0.002 0.000 0.297 702 G HA3 0.439 4.397 3.960 -0.002 0.000 0.297 702 G C -0.871 173.957 174.900 -0.120 0.000 1.344 702 G CA 0.006 44.924 45.100 -0.302 0.000 0.851 702 G HN 1.108 nan 8.290 nan 0.000 0.567 703 T N -2.081 112.461 114.554 -0.020 0.000 2.892 703 T HA 0.810 5.159 4.350 -0.002 0.000 0.280 703 T C -0.162 174.508 174.700 -0.050 0.000 1.004 703 T CA -0.821 61.273 62.100 -0.010 0.000 0.950 703 T CB 1.584 70.489 68.868 0.062 0.000 1.309 703 T HN 0.654 nan 8.240 nan 0.000 0.592 704 I N 1.271 121.814 120.570 -0.045 0.000 2.545 704 I HA 0.389 4.557 4.170 -0.002 0.000 0.292 704 I C -0.132 175.986 176.117 0.001 0.000 1.040 704 I CA -0.635 60.629 61.300 -0.062 0.000 1.068 704 I CB 2.067 39.978 38.000 -0.149 0.000 1.251 704 I HN 0.806 nan 8.210 nan 0.000 0.424 705 D N 3.495 123.881 120.400 -0.024 0.000 2.376 705 D HA 0.054 4.692 4.640 -0.002 0.000 0.268 705 D C 0.681 176.984 176.300 0.004 0.000 1.252 705 D CA -0.137 53.839 54.000 -0.040 0.000 1.041 705 D CB 0.749 41.449 40.800 -0.167 0.000 1.109 705 D HN 0.477 nan 8.370 nan 0.000 0.552 706 E N -0.709 119.473 120.200 -0.031 0.000 4.489 706 E HA -0.076 4.272 4.350 -0.002 0.000 0.582 706 E C 0.619 177.039 176.600 -0.301 0.000 0.746 706 E CA 1.311 57.645 56.400 -0.111 0.000 3.970 706 E CB 0.057 29.764 29.700 0.012 0.000 1.877 706 E HN 0.437 nan 8.360 nan 0.000 0.294 707 I N -2.351 118.020 120.570 -0.330 0.000 2.027 707 I HA -0.002 4.166 4.170 -0.002 0.000 0.318 707 I C -0.663 175.363 176.117 -0.151 0.000 0.611 707 I CA -0.350 60.643 61.300 -0.512 0.000 2.989 707 I CB -0.789 36.618 38.000 -0.988 0.000 1.625 707 I HN 0.412 nan 8.210 nan 0.000 0.516 708 Q N 2.937 122.664 119.800 -0.123 0.000 3.031 708 Q HA -0.297 4.041 4.340 -0.002 0.000 0.371 708 Q C 0.326 176.341 176.000 0.024 0.000 1.331 708 Q CA 0.765 56.555 55.803 -0.021 0.000 0.789 708 Q CB 0.025 28.755 28.738 -0.013 0.000 1.346 708 Q HN 0.254 nan 8.270 nan 0.000 0.597 709 K N 0.990 121.422 120.400 0.053 0.000 2.173 709 K HA -0.105 4.214 4.320 -0.002 0.000 0.207 709 K C 0.309 176.945 176.600 0.060 0.000 1.046 709 K CA 1.397 57.725 56.287 0.067 0.000 0.929 709 K CB 0.108 32.664 32.500 0.092 0.000 0.720 709 K HN 0.486 nan 8.250 nan 0.000 0.453 710 L N 0.202 121.455 121.223 0.049 0.000 2.333 710 L HA 0.276 4.614 4.340 -0.002 0.000 0.280 710 L C -0.672 176.235 176.870 0.061 0.000 1.004 710 L CA -1.202 53.667 54.840 0.048 0.000 0.820 710 L CB 1.553 43.624 42.059 0.021 0.000 1.247 710 L HN 0.069 nan 8.230 nan 0.000 0.416 711 H N 4.061 123.120 119.070 -0.018 0.000 2.502 711 H HA 0.590 5.145 4.556 -0.002 0.000 0.327 711 H C -0.978 174.333 175.328 -0.029 0.000 1.099 711 H CA -0.177 55.857 56.048 -0.024 0.000 1.323 711 H CB 0.949 30.701 29.762 -0.016 0.000 1.450 711 H HN 0.404 nan 8.280 nan 0.000 0.502 712 I N 5.834 126.007 120.570 -0.662 0.000 2.447 712 I HA 0.310 4.478 4.170 -0.002 0.000 0.287 712 I C -0.278 175.513 176.117 -0.544 0.000 1.023 712 I CA -0.799 60.220 61.300 -0.468 0.000 1.083 712 I CB 1.656 39.511 38.000 -0.242 0.000 1.245 712 I HN 0.458 nan 8.210 nan 0.000 0.434 713 R N 4.313 124.574 120.500 -0.397 0.000 2.346 713 R HA 0.550 4.889 4.340 -0.002 0.000 0.311 713 R C -0.937 175.204 176.300 -0.264 0.000 0.983 713 R CA -0.225 55.702 56.100 -0.288 0.000 0.880 713 R CB 1.659 31.833 30.300 -0.210 0.000 1.100 713 R HN 0.572 nan 8.270 nan 0.000 0.453 714 T N 3.246 117.670 114.554 -0.217 0.000 2.829 714 T HA 0.318 4.667 4.350 -0.002 0.000 0.282 714 T C -0.651 173.921 174.700 -0.213 0.000 0.990 714 T CA -0.404 61.572 62.100 -0.206 0.000 1.028 714 T CB 1.526 70.299 68.868 -0.159 0.000 0.951 714 T HN 0.301 nan 8.240 nan 0.000 0.460 715 V N 6.338 126.111 119.914 -0.236 0.000 2.305 715 V HA 0.298 4.417 4.120 -0.002 0.000 0.275 715 V C -2.357 173.619 176.094 -0.197 0.000 1.020 715 V CA -2.074 60.105 62.300 -0.202 0.000 0.811 715 V CB 0.950 32.627 31.823 -0.245 0.000 1.031 715 V HN 0.700 nan 8.190 nan 0.000 0.439 716 P HA 0.219 nan 4.420 nan 0.000 0.266 716 P C 0.402 177.432 177.300 -0.451 0.000 1.195 716 P CA 0.244 63.094 63.100 -0.416 0.000 0.768 716 P CB 0.832 32.269 31.700 -0.437 0.000 0.838 717 L N 1.404 122.299 121.223 -0.547 0.000 2.840 717 L HA 0.209 4.548 4.340 -0.002 0.000 0.249 717 L C 0.026 176.813 176.870 -0.138 0.000 1.119 717 L CA -0.134 54.553 54.840 -0.256 0.000 0.930 717 L CB -0.202 41.765 42.059 -0.153 0.000 1.295 717 L HN 0.354 nan 8.230 nan 0.000 0.534 718 Y N 0.909 121.191 120.300 -0.030 0.000 4.177 718 Y HA -0.302 4.247 4.550 -0.002 0.000 0.227 718 Y C 0.464 176.359 175.900 -0.008 0.000 1.154 718 Y CA 0.816 58.907 58.100 -0.015 0.000 1.887 718 Y CB -2.301 36.151 38.460 -0.014 0.000 1.594 718 Y HN 0.566 nan 8.280 nan 0.000 0.668 719 E N -2.441 117.765 120.200 0.009 0.000 2.396 719 E HA 0.572 4.920 4.350 -0.002 0.000 0.280 719 E C -1.083 175.457 176.600 -0.099 0.000 1.065 719 E CA -0.844 55.551 56.400 -0.008 0.000 0.831 719 E CB 0.970 30.673 29.700 0.004 0.000 1.272 719 E HN -0.070 nan 8.360 nan 0.000 0.443 720 S N 2.549 118.155 115.700 -0.157 0.000 2.525 720 S HA 0.245 4.714 4.470 -0.002 0.000 0.285 720 S C -2.182 172.299 174.600 -0.199 0.000 1.283 720 S CA -0.444 57.612 58.200 -0.239 0.000 1.072 720 S CB 0.018 63.018 63.200 -0.334 0.000 0.867 720 S HN 0.320 nan 8.310 nan 0.000 0.492 721 P HA 0.552 nan 4.420 nan 0.000 0.290 721 P C 0.090 177.309 177.300 -0.136 0.000 1.283 721 P CA -0.799 62.216 63.100 -0.142 0.000 0.869 721 P CB 1.316 32.942 31.700 -0.122 0.000 1.100 722 R N 0.445 120.879 120.500 -0.111 0.000 2.551 722 R HA 0.311 4.650 4.340 -0.002 0.000 0.202 722 R C 0.230 176.515 176.300 -0.026 0.000 0.861 722 R CA 0.558 56.607 56.100 -0.083 0.000 1.018 722 R CB 0.323 30.551 30.300 -0.119 0.000 1.435 722 R HN 0.427 nan 8.270 nan 0.000 0.659 723 K N 0.541 120.934 120.400 -0.013 0.000 2.509 723 K HA 0.536 4.855 4.320 -0.002 0.000 0.266 723 K C -1.143 175.486 176.600 0.047 0.000 0.987 723 K CA -0.703 55.605 56.287 0.035 0.000 0.868 723 K CB 2.776 35.312 32.500 0.060 0.000 1.421 723 K HN -0.028 nan 8.250 nan 0.000 0.444 724 I N -0.098 120.529 120.570 0.095 0.000 2.743 724 I HA 0.371 4.540 4.170 -0.002 0.000 0.292 724 I C -1.832 174.424 176.117 0.232 0.000 1.343 724 I CA -0.431 60.954 61.300 0.141 0.000 1.038 724 I CB 1.550 39.606 38.000 0.092 0.000 1.311 724 I HN 0.606 nan 8.210 nan 0.000 0.426 725 C N 6.330 125.827 119.300 0.328 0.000 2.516 725 C HA 0.364 4.823 4.460 -0.002 0.000 0.338 725 C C -0.694 174.586 174.990 0.482 0.000 1.132 725 C CA -0.583 58.662 59.018 0.378 0.000 1.310 725 C CB 1.034 28.999 27.740 0.377 0.000 1.898 725 C HN 0.645 nan 8.230 nan 0.000 0.452 726 Y N 2.925 123.377 120.300 0.253 0.000 2.425 726 Y HA 0.335 4.883 4.550 -0.003 0.000 0.331 726 Y C 0.452 176.321 175.900 -0.051 0.000 1.157 726 Y CA 0.571 58.661 58.100 -0.017 0.000 1.372 726 Y CB 0.508 38.906 38.460 -0.103 0.000 1.253 726 Y HN 0.725 nan 8.280 nan 0.000 0.536 727 Q N 6.059 125.501 119.800 -0.597 0.000 2.674 727 Q HA 0.150 4.488 4.340 -0.002 0.000 0.249 727 Q C 0.828 176.281 176.000 -0.912 0.000 1.011 727 Q CA -0.284 55.139 55.803 -0.634 0.000 0.734 727 Q CB 0.625 29.048 28.738 -0.526 0.000 1.201 727 Q HN 0.970 nan 8.270 nan 0.000 0.498 728 E N 1.867 121.362 120.200 -1.175 0.000 2.055 728 E HA -0.277 4.072 4.350 -0.002 0.000 0.209 728 E C 1.430 177.802 176.600 -0.380 0.000 1.036 728 E CA 2.742 58.658 56.400 -0.808 0.000 0.849 728 E CB -0.060 29.386 29.700 -0.424 0.000 0.767 728 E HN 0.606 nan 8.360 nan 0.000 0.461 729 V N -0.569 119.173 119.914 -0.288 0.000 2.439 729 V HA -0.242 3.877 4.120 -0.002 0.000 0.253 729 V C 2.132 178.140 176.094 -0.144 0.000 1.074 729 V CA 2.331 64.521 62.300 -0.183 0.000 1.076 729 V CB -0.742 30.974 31.823 -0.179 0.000 0.664 729 V HN 0.174 nan 8.190 nan 0.000 0.461 730 S N -1.122 114.484 115.700 -0.157 0.000 2.528 730 S HA 0.061 4.530 4.470 -0.002 0.000 0.219 730 S C 0.732 175.322 174.600 -0.017 0.000 0.985 730 S CA 0.472 58.656 58.200 -0.028 0.000 0.914 730 S CB -0.261 62.996 63.200 0.094 0.000 0.776 730 S HN 0.737 nan 8.310 nan 0.000 0.526 731 Q N -0.081 119.645 119.800 -0.124 0.000 2.470 731 Q HA -0.167 4.172 4.340 -0.002 0.000 0.294 731 Q C -0.153 175.781 176.000 -0.109 0.000 1.356 731 Q CA 0.926 56.668 55.803 -0.101 0.000 0.805 731 Q CB -2.613 26.117 28.738 -0.013 0.000 1.157 731 Q HN 0.828 nan 8.270 nan 0.000 0.431 732 C N -3.553 115.655 119.300 -0.154 0.000 3.284 732 C HA 0.865 5.324 4.460 -0.002 0.000 0.348 732 C C -0.841 174.074 174.990 -0.125 0.000 1.448 732 C CA -1.218 57.743 59.018 -0.095 0.000 1.223 732 C CB 1.619 29.363 27.740 0.006 0.000 1.588 732 C HN 0.179 nan 8.230 nan 0.000 0.451 733 F N 0.443 120.458 119.950 0.110 0.000 2.579 733 F HA 0.763 5.288 4.527 -0.002 0.000 0.324 733 F C 0.874 176.655 175.800 -0.032 0.000 1.058 733 F CA 0.164 58.262 58.000 0.163 0.000 0.944 733 F CB 2.055 41.135 39.000 0.133 0.000 1.245 733 F HN 1.065 nan 8.300 nan 0.000 0.477 734 G N 0.513 109.397 108.800 0.140 0.000 2.415 734 G HA2 0.615 4.573 3.960 -0.002 0.000 0.327 734 G HA3 0.615 4.573 3.960 -0.002 0.000 0.327 734 G C -1.940 172.920 174.900 -0.066 0.000 1.182 734 G CA -0.697 44.199 45.100 -0.339 0.000 0.924 734 G HN 0.491 nan 8.290 nan 0.000 0.470 735 V N 3.294 123.143 119.914 -0.109 0.000 2.623 735 V HA 0.330 4.449 4.120 -0.002 0.000 0.304 735 V C -0.065 175.995 176.094 -0.057 0.000 1.054 735 V CA -0.684 61.589 62.300 -0.044 0.000 0.882 735 V CB 1.838 33.635 31.823 -0.044 0.000 1.002 735 V HN 0.674 nan 8.190 nan 0.000 0.424 736 L N 4.688 125.896 121.223 -0.025 0.000 2.361 736 L HA 0.533 4.871 4.340 -0.002 0.000 0.278 736 L C 0.565 177.384 176.870 -0.084 0.000 1.113 736 L CA 0.394 55.223 54.840 -0.019 0.000 0.849 736 L CB 1.303 43.360 42.059 -0.003 0.000 1.155 736 L HN 0.865 nan 8.230 nan 0.000 0.452 737 S N 1.985 117.621 115.700 -0.106 0.000 2.634 737 S HA 0.831 5.299 4.470 -0.002 0.000 0.296 737 S C -0.527 173.900 174.600 -0.288 0.000 1.104 737 S CA -0.643 57.450 58.200 -0.179 0.000 0.920 737 S CB 2.266 65.392 63.200 -0.124 0.000 1.111 737 S HN 0.578 nan 8.310 nan 0.000 0.493 738 S N 0.495 115.984 115.700 -0.352 0.000 2.548 738 S HA 0.869 5.338 4.470 -0.002 0.000 0.286 738 S C -0.743 173.769 174.600 -0.147 0.000 1.098 738 S CA -1.093 56.887 58.200 -0.366 0.000 0.930 738 S CB 1.529 64.315 63.200 -0.690 0.000 1.070 738 S HN 1.207 nan 8.310 nan 0.000 0.480 739 R N 0.717 121.191 120.500 -0.043 0.000 2.867 739 R HA 0.771 5.110 4.340 -0.002 0.000 0.268 739 R C -1.471 174.861 176.300 0.053 0.000 1.014 739 R CA -1.046 55.063 56.100 0.014 0.000 0.946 739 R CB 0.988 31.298 30.300 0.018 0.000 1.208 739 R HN 0.619 nan 8.270 nan 0.000 0.477 740 I N 1.561 122.183 120.570 0.087 0.000 2.359 740 I HA 0.285 4.454 4.170 -0.002 0.000 0.294 740 I C 0.066 176.218 176.117 0.059 0.000 0.987 740 I CA -0.460 60.889 61.300 0.082 0.000 1.225 740 I CB 1.666 39.729 38.000 0.104 0.000 1.366 740 I HN 0.628 nan 8.210 nan 0.000 0.466 741 E N 4.907 125.138 120.200 0.052 0.000 2.334 741 E HA 0.695 5.043 4.350 -0.002 0.000 0.256 741 E C -1.122 175.506 176.600 0.047 0.000 0.958 741 E CA -0.872 55.554 56.400 0.044 0.000 0.821 741 E CB 2.636 32.360 29.700 0.039 0.000 1.269 741 E HN 0.384 nan 8.360 nan 0.000 0.413 742 V N -2.131 117.809 119.914 0.044 0.000 3.155 742 V HA 0.399 4.518 4.120 -0.002 0.000 0.313 742 V C -0.863 175.266 176.094 0.059 0.000 1.162 742 V CA -1.112 61.218 62.300 0.049 0.000 1.048 742 V CB 1.896 33.745 31.823 0.043 0.000 1.092 742 V HN 0.455 nan 8.190 nan 0.000 0.447 743 Q N 1.980 121.822 119.800 0.071 0.000 2.323 743 Q HA 0.347 4.686 4.340 -0.002 0.000 0.257 743 Q C -0.616 175.445 176.000 0.102 0.000 1.022 743 Q CA 0.268 56.130 55.803 0.098 0.000 0.919 743 Q CB 1.222 30.036 28.738 0.126 0.000 1.220 743 Q HN 0.959 nan 8.270 nan 0.000 0.427 744 D N 0.718 121.176 120.400 0.097 0.000 2.425 744 D HA 0.030 4.669 4.640 -0.002 0.000 0.274 744 D C 1.473 177.837 176.300 0.106 0.000 1.242 744 D CA 0.421 54.468 54.000 0.078 0.000 1.060 744 D CB 0.839 41.674 40.800 0.058 0.000 1.112 744 D HN 0.502 nan 8.370 nan 0.000 0.561 745 T N -2.651 111.934 114.554 0.051 0.000 2.674 745 T HA -0.191 4.158 4.350 -0.002 0.000 0.265 745 T C 2.003 176.788 174.700 0.142 0.000 1.039 745 T CA 1.638 63.745 62.100 0.011 0.000 1.150 745 T CB -0.838 68.014 68.868 -0.026 0.000 0.864 745 T HN 0.177 nan 8.240 nan 0.000 0.427 746 S N 0.260 116.038 115.700 0.129 0.000 2.595 746 S HA 0.260 4.729 4.470 -0.002 0.000 0.235 746 S C 1.819 176.530 174.600 0.185 0.000 0.974 746 S CA 1.183 59.477 58.200 0.157 0.000 0.942 746 S CB -1.363 61.891 63.200 0.091 0.000 0.766 746 S HN 1.217 nan 8.310 nan 0.000 0.536 747 G N 0.398 109.330 108.800 0.220 0.000 2.900 747 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.223 747 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.223 747 G C 0.796 175.758 174.900 0.103 0.000 1.293 747 G CA -0.014 45.202 45.100 0.193 0.000 0.792 747 G HN 1.491 nan 8.290 nan 0.000 0.527 748 G N 1.856 110.702 108.800 0.077 0.000 2.812 748 G HA2 0.342 4.301 3.960 -0.002 0.000 0.276 748 G HA3 0.342 4.301 3.960 -0.002 0.000 0.276 748 G C 0.707 175.640 174.900 0.056 0.000 0.430 748 G CA 1.626 46.759 45.100 0.055 0.000 1.143 748 G HN 1.963 nan 8.290 nan 0.000 0.215 749 T N 0.458 115.041 114.554 0.048 0.000 2.918 749 T HA 0.560 4.909 4.350 -0.002 0.000 0.302 749 T C 1.303 176.026 174.700 0.038 0.000 1.045 749 T CA 0.292 62.419 62.100 0.046 0.000 1.114 749 T CB 1.545 70.440 68.868 0.045 0.000 0.965 749 T HN 0.953 nan 8.240 nan 0.000 0.540 750 T N -0.755 113.820 114.554 0.036 0.000 2.818 750 T HA 0.715 5.064 4.350 -0.002 0.000 0.177 750 T C 0.400 175.113 174.700 0.023 0.000 0.760 750 T CA -0.070 62.047 62.100 0.027 0.000 1.490 750 T CB -0.132 68.751 68.868 0.026 0.000 2.555 750 T HN 1.799 nan 8.240 nan 0.000 0.410 751 A N -0.380 122.453 122.820 0.022 0.000 2.538 751 A HA 0.502 4.821 4.320 -0.002 0.000 0.306 751 A C 0.119 177.712 177.584 0.015 0.000 0.999 751 A CA -0.637 51.411 52.037 0.019 0.000 0.829 751 A CB -0.330 18.677 19.000 0.011 0.000 1.143 751 A HN 0.543 nan 8.150 nan 0.000 0.378 752 L N 1.214 122.448 121.223 0.018 0.000 2.249 752 L HA 0.271 4.610 4.340 -0.002 0.000 0.207 752 L C 1.293 178.164 176.870 0.002 0.000 1.090 752 L CA 1.383 56.230 54.840 0.012 0.000 0.802 752 L CB -0.199 41.871 42.059 0.018 0.000 0.947 752 L HN 0.834 nan 8.230 nan 0.000 0.453 753 R N -1.183 119.318 120.500 0.001 0.000 2.712 753 R HA 0.499 4.838 4.340 -0.002 0.000 0.272 753 R C -3.055 173.228 176.300 -0.029 0.000 1.032 753 R CA -1.535 54.551 56.100 -0.023 0.000 0.874 753 R CB 0.243 30.526 30.300 -0.028 0.000 1.256 753 R HN -0.333 nan 8.270 nan 0.000 0.468 754 P HA 0.349 nan 4.420 nan 0.000 0.274 754 P C -0.983 176.279 177.300 -0.063 0.000 1.246 754 P CA -0.306 62.755 63.100 -0.066 0.000 0.795 754 P CB 1.004 32.642 31.700 -0.102 0.000 1.006 755 S N -1.952 113.748 115.700 -0.001 0.000 2.663 755 S HA 0.526 4.995 4.470 -0.002 0.000 0.264 755 S C 0.761 175.416 174.600 0.091 0.000 1.112 755 S CA -0.317 57.955 58.200 0.119 0.000 0.823 755 S CB 0.295 63.577 63.200 0.137 0.000 1.111 755 S HN 0.391 nan 8.310 nan 0.000 0.476 756 A N 1.846 124.730 122.820 0.106 0.000 1.884 756 A HA -0.100 4.218 4.320 -0.002 0.000 0.219 756 A C 2.335 179.920 177.584 0.001 0.000 1.197 756 A CA 3.060 55.125 52.037 0.048 0.000 0.637 756 A CB -1.756 17.254 19.000 0.016 0.000 0.827 756 A HN 1.809 nan 8.150 nan 0.000 0.450 757 S N -0.933 114.757 115.700 -0.016 0.000 2.453 757 S HA -0.106 4.363 4.470 -0.002 0.000 0.231 757 S C 1.704 176.277 174.600 -0.045 0.000 1.005 757 S CA 1.739 59.909 58.200 -0.050 0.000 0.949 757 S CB -0.897 62.272 63.200 -0.053 0.000 0.774 757 S HN 0.809 nan 8.310 nan 0.000 0.510 758 T N -1.032 113.510 114.554 -0.021 0.000 3.033 758 T HA 0.174 4.522 4.350 -0.002 0.000 0.248 758 T C 1.697 176.387 174.700 -0.018 0.000 1.040 758 T CA 0.073 62.160 62.100 -0.021 0.000 1.133 758 T CB -0.451 68.410 68.868 -0.013 0.000 0.895 758 T HN 0.313 nan 8.240 nan 0.000 0.465 759 Q N 1.287 121.081 119.800 -0.010 0.000 2.482 759 Q HA 0.399 4.738 4.340 -0.002 0.000 0.209 759 Q C 0.937 176.938 176.000 0.002 0.000 0.961 759 Q CA -0.146 55.654 55.803 -0.005 0.000 0.945 759 Q CB -0.157 28.580 28.738 -0.002 0.000 1.012 759 Q HN 0.703 nan 8.270 nan 0.000 0.515 760 A N 0.374 123.188 122.820 -0.011 0.000 2.492 760 A HA 0.000 4.319 4.320 -0.002 0.000 0.236 760 A C 1.179 178.769 177.584 0.009 0.000 1.078 760 A CA 0.023 52.052 52.037 -0.014 0.000 0.773 760 A CB 0.290 19.252 19.000 -0.063 0.000 1.023 760 A HN 0.346 nan 8.150 nan 0.000 0.504 761 L N 0.601 121.843 121.223 0.032 0.000 2.007 761 L HA -0.038 4.300 4.340 -0.002 0.000 0.205 761 L C 1.284 178.197 176.870 0.072 0.000 1.073 761 L CA 1.146 56.018 54.840 0.053 0.000 0.744 761 L CB -0.650 41.450 42.059 0.068 0.000 0.898 761 L HN 0.663 nan 8.230 nan 0.000 0.435 762 S N -1.352 114.420 115.700 0.120 0.000 2.722 762 S HA 0.569 5.037 4.470 -0.002 0.000 0.292 762 S C -0.256 174.435 174.600 0.152 0.000 1.135 762 S CA -0.538 57.786 58.200 0.208 0.000 1.003 762 S CB 2.178 65.619 63.200 0.401 0.000 1.067 762 S HN 0.282 nan 8.310 nan 0.000 0.546 763 S N 0.138 115.960 115.700 0.203 0.000 2.643 763 S HA 0.831 5.299 4.470 -0.002 0.000 0.270 763 S C -1.742 173.004 174.600 0.243 0.000 1.166 763 S CA -0.193 57.997 58.200 -0.015 0.000 0.815 763 S CB 1.150 64.332 63.200 -0.030 0.000 1.139 763 S HN 1.404 nan 8.310 nan 0.000 0.472 764 S N -0.137 115.635 115.700 0.120 0.000 2.614 764 S HA 0.593 5.062 4.470 -0.002 0.000 0.280 764 S C -1.315 173.373 174.600 0.146 0.000 1.111 764 S CA -0.279 58.058 58.200 0.229 0.000 0.847 764 S CB 0.383 63.826 63.200 0.406 0.000 1.079 764 S HN 1.953 nan 8.310 nan 0.000 0.452 765 V N -0.957 119.026 119.914 0.115 0.000 2.789 765 V HA 0.861 4.979 4.120 -0.002 0.000 0.311 765 V C 0.330 176.464 176.094 0.066 0.000 1.073 765 V CA -0.769 61.500 62.300 -0.053 0.000 0.921 765 V CB 1.297 33.103 31.823 -0.029 0.000 1.009 765 V HN 1.001 nan 8.190 nan 0.000 0.426 766 S N 2.025 117.676 115.700 -0.081 0.000 2.566 766 S HA 0.347 4.816 4.470 -0.002 0.000 0.280 766 S C 1.038 175.711 174.600 0.121 0.000 1.343 766 S CA 0.395 58.681 58.200 0.143 0.000 1.036 766 S CB 0.882 64.166 63.200 0.141 0.000 0.866 766 S HN 1.581 nan 8.310 nan 0.000 0.526 767 S N -0.288 115.494 115.700 0.137 0.000 2.993 767 S HA 0.189 4.658 4.470 -0.002 0.000 0.257 767 S C 0.196 174.842 174.600 0.076 0.000 0.997 767 S CA -0.344 57.913 58.200 0.096 0.000 1.191 767 S CB -0.183 63.071 63.200 0.089 0.000 1.143 767 S HN 0.643 nan 8.310 nan 0.000 0.655 768 S N 1.770 117.519 115.700 0.082 0.000 2.614 768 S HA 0.544 5.012 4.470 -0.002 0.000 0.265 768 S C 0.282 174.895 174.600 0.022 0.000 1.303 768 S CA -0.647 57.575 58.200 0.037 0.000 1.000 768 S CB 0.630 63.842 63.200 0.020 0.000 0.935 768 S HN 0.211 nan 8.310 nan 0.000 0.551 769 K N 1.042 121.425 120.400 -0.028 0.000 2.618 769 K HA 0.332 4.651 4.320 -0.002 0.000 0.207 769 K C 0.860 177.383 176.600 -0.128 0.000 1.058 769 K CA -0.091 56.177 56.287 -0.032 0.000 1.086 769 K CB -0.502 31.986 32.500 -0.020 0.000 0.827 769 K HN 0.564 nan 8.250 nan 0.000 0.481 770 L N -0.054 120.997 121.223 -0.286 0.000 2.141 770 L HA 0.005 4.343 4.340 -0.002 0.000 0.209 770 L C 0.351 176.722 176.870 -0.831 0.000 1.094 770 L CA 1.374 55.823 54.840 -0.652 0.000 0.763 770 L CB -0.209 41.257 42.059 -0.988 0.000 0.908 770 L HN 0.044 nan 8.230 nan 0.000 0.437 771 F N -1.369 118.611 119.950 0.050 0.000 2.594 771 F HA 0.449 4.975 4.527 -0.003 0.000 0.335 771 F C 0.407 176.236 175.800 0.047 0.000 1.058 771 F CA -0.789 57.245 58.000 0.058 0.000 0.981 771 F CB 1.574 40.630 39.000 0.093 0.000 1.289 771 F HN -0.245 nan 8.300 nan 0.000 0.490 772 S N -0.981 114.867 115.700 0.246 0.000 2.949 772 S HA 0.159 4.628 4.470 -0.002 0.000 0.136 772 S C -0.708 173.934 174.600 0.070 0.000 0.855 772 S CA -0.817 57.456 58.200 0.120 0.000 0.869 772 S CB -1.004 62.242 63.200 0.076 0.000 1.577 772 S HN 0.753 nan 8.310 nan 0.000 0.602 780 T N 0.735 115.245 114.554 -0.074 0.000 2.928 780 T HA 0.364 4.712 4.350 -0.002 0.000 0.284 780 T C -0.358 174.302 174.700 -0.066 0.000 1.008 780 T CA -0.322 61.745 62.100 -0.055 0.000 1.057 780 T CB 1.407 70.240 68.868 -0.058 0.000 1.018 780 T HN 0.312 nan 8.240 nan 0.000 0.493 781 S N 1.632 117.323 115.700 -0.015 0.000 2.525 781 S HA 0.333 4.802 4.470 -0.002 0.000 0.278 781 S C 1.162 175.805 174.600 0.071 0.000 1.234 781 S CA -0.716 57.495 58.200 0.019 0.000 1.058 781 S CB -0.051 63.179 63.200 0.051 0.000 0.983 781 S HN 0.680 nan 8.310 nan 0.000 0.495 782 F N 3.467 123.424 119.950 0.012 0.000 2.184 782 F HA 0.000 4.526 4.527 -0.002 0.000 0.301 782 F C 1.632 177.440 175.800 0.012 0.000 1.076 782 F CA 0.932 58.939 58.000 0.011 0.000 1.295 782 F CB 0.170 39.175 39.000 0.008 0.000 1.026 782 F HN 0.728 nan 8.300 nan 0.000 0.494 783 G N 0.305 109.230 108.800 0.209 0.000 2.730 783 G HA2 0.583 4.541 3.960 -0.002 0.000 0.291 783 G HA3 0.583 4.541 3.960 -0.002 0.000 0.291 783 G C -1.193 173.757 174.900 0.084 0.000 1.456 783 G CA -0.319 44.852 45.100 0.118 0.000 0.996 783 G HN 0.214 nan 8.290 nan 0.000 0.528 784 E N 1.089 121.332 120.200 0.072 0.000 1.803 784 E HA 0.301 4.650 4.350 -0.002 0.000 0.192 784 E C -1.095 175.537 176.600 0.054 0.000 1.647 784 E CA -0.895 55.539 56.400 0.057 0.000 1.036 784 E CB 1.099 30.833 29.700 0.056 0.000 1.736 784 E HN 0.386 nan 8.360 nan 0.000 0.608 785 E N 0.713 120.947 120.200 0.056 0.000 2.266 785 E HA 0.584 4.933 4.350 -0.002 0.000 0.268 785 E C -1.450 175.194 176.600 0.074 0.000 0.879 785 E CA -0.645 55.791 56.400 0.060 0.000 0.762 785 E CB 2.720 32.453 29.700 0.055 0.000 1.199 785 E HN 0.136 nan 8.360 nan 0.000 0.422 786 V N 1.451 121.409 119.914 0.074 0.000 2.962 786 V HA 0.353 4.472 4.120 -0.002 0.000 0.313 786 V C -0.432 175.705 176.094 0.071 0.000 1.099 786 V CA -1.010 61.340 62.300 0.085 0.000 0.971 786 V CB 2.151 34.019 31.823 0.075 0.000 1.028 786 V HN 0.632 nan 8.190 nan 0.000 0.430 787 E N 0.808 121.039 120.200 0.051 0.000 2.242 787 E HA 0.671 5.020 4.350 -0.002 0.000 0.275 787 E C -1.478 175.094 176.600 -0.047 0.000 1.002 787 E CA -0.572 55.819 56.400 -0.016 0.000 0.841 787 E CB 2.273 31.887 29.700 -0.142 0.000 1.109 787 E HN 0.434 nan 8.360 nan 0.000 0.394 788 V N 3.157 123.103 119.914 0.054 0.000 2.483 788 V HA 0.244 4.363 4.120 -0.002 0.000 0.297 788 V C -0.609 175.607 176.094 0.203 0.000 1.027 788 V CA -0.697 61.646 62.300 0.071 0.000 0.855 788 V CB 1.321 33.173 31.823 0.048 0.000 0.995 788 V HN 0.672 nan 8.190 nan 0.000 0.424 789 H N 3.912 122.952 119.070 -0.049 0.000 2.533 789 H HA 0.607 5.162 4.556 -0.002 0.000 0.343 789 H C -0.772 174.704 175.328 0.248 0.000 1.160 789 H CA -0.928 55.132 56.048 0.019 0.000 1.218 789 H CB 2.098 31.802 29.762 -0.097 0.000 1.566 789 H HN 0.617 nan 8.280 nan 0.000 0.522 790 N N 1.276 120.164 118.700 0.313 0.000 2.525 790 N HA 0.194 4.932 4.740 -0.002 0.000 0.270 790 N C -1.669 173.973 175.510 0.219 0.000 1.321 790 N CA -0.774 52.381 53.050 0.176 0.000 0.797 790 N CB 2.984 41.458 38.487 -0.022 0.000 1.529 790 N HN 0.229 nan 8.380 nan 0.000 0.491 791 L N 1.340 122.590 121.223 0.045 0.000 2.305 791 L HA 0.558 4.897 4.340 -0.002 0.000 0.284 791 L C -1.366 175.395 176.870 -0.182 0.000 1.013 791 L CA -0.373 54.445 54.840 -0.036 0.000 0.819 791 L CB 0.772 42.772 42.059 -0.097 0.000 1.227 791 L HN 0.427 nan 8.230 nan 0.000 0.417 792 L N 5.529 126.646 121.223 -0.176 0.000 2.334 792 L HA 0.539 4.878 4.340 -0.002 0.000 0.275 792 L C -0.522 176.202 176.870 -0.244 0.000 1.036 792 L CA -0.745 53.984 54.840 -0.184 0.000 0.807 792 L CB 1.754 43.742 42.059 -0.118 0.000 1.231 792 L HN 0.472 nan 8.230 nan 0.000 0.438 793 I N 3.900 124.327 120.570 -0.239 0.000 2.390 793 I HA 0.288 4.456 4.170 -0.002 0.000 0.283 793 I C -0.389 175.636 176.117 -0.153 0.000 1.016 793 I CA -0.423 60.694 61.300 -0.305 0.000 1.151 793 I CB 1.471 39.131 38.000 -0.566 0.000 1.293 793 I HN 0.333 nan 8.210 nan 0.000 0.458 794 I N 5.467 126.012 120.570 -0.042 0.000 2.331 794 I HA 0.198 4.366 4.170 -0.002 0.000 0.292 794 I C 0.709 176.850 176.117 0.040 0.000 0.998 794 I CA -0.557 60.768 61.300 0.042 0.000 1.267 794 I CB 0.665 38.738 38.000 0.123 0.000 1.386 794 I HN 0.431 nan 8.210 nan 0.000 0.476 795 D N 5.559 125.947 120.400 -0.020 0.000 2.390 795 D HA 0.005 4.644 4.640 -0.002 0.000 0.249 795 D C 0.939 177.056 176.300 -0.304 0.000 1.144 795 D CA -0.120 53.834 54.000 -0.077 0.000 0.880 795 D CB 1.171 41.964 40.800 -0.011 0.000 1.182 795 D HN 0.720 nan 8.370 nan 0.000 0.451 796 Q N 3.358 122.949 119.800 -0.347 0.000 2.291 796 Q HA -0.165 4.174 4.340 -0.002 0.000 0.205 796 Q C 0.803 176.358 176.000 -0.741 0.000 0.970 796 Q CA 1.092 56.588 55.803 -0.512 0.000 0.876 796 Q CB 0.028 28.550 28.738 -0.359 0.000 0.935 796 Q HN 0.557 nan 8.270 nan 0.000 0.455 797 H N 1.221 120.157 119.070 -0.222 0.000 2.300 797 H HA 0.011 4.565 4.556 -0.002 0.000 0.312 797 H C 2.452 177.794 175.328 0.022 0.000 1.057 797 H CA 2.086 58.106 56.048 -0.046 0.000 1.380 797 H CB -0.592 29.181 29.762 0.019 0.000 1.424 797 H HN 0.541 nan 8.280 nan 0.000 0.534 798 T N -1.480 113.149 114.554 0.125 0.000 2.951 798 T HA -0.094 4.254 4.350 -0.002 0.000 0.268 798 T C 0.756 175.642 174.700 0.310 0.000 1.073 798 T CA 0.568 62.783 62.100 0.191 0.000 1.134 798 T CB -0.590 68.359 68.868 0.136 0.000 0.884 798 T HN 0.313 nan 8.240 nan 0.000 0.479 799 F N 1.477 121.483 119.950 0.094 0.000 3.057 799 F HA -0.165 4.360 4.527 -0.002 0.000 0.287 799 F C 0.363 176.189 175.800 0.043 0.000 0.834 799 F CA 0.322 58.358 58.000 0.060 0.000 1.147 799 F CB -2.335 36.678 39.000 0.023 0.000 1.245 799 F HN 0.362 nan 8.300 nan 0.000 0.509 800 E N -0.340 119.951 120.200 0.152 0.000 2.349 800 E HA 0.436 4.784 4.350 -0.002 0.000 0.262 800 E C -0.014 176.633 176.600 0.078 0.000 1.088 800 E CA -0.740 55.726 56.400 0.111 0.000 0.899 800 E CB 1.350 31.105 29.700 0.092 0.000 1.044 800 E HN 0.038 nan 8.360 nan 0.000 0.420 801 V N 4.282 124.233 119.914 0.060 0.000 2.326 801 V HA -0.027 4.091 4.120 -0.002 0.000 0.249 801 V C 1.317 177.431 176.094 0.033 0.000 1.114 801 V CA 0.259 62.575 62.300 0.027 0.000 1.028 801 V CB -0.843 30.987 31.823 0.012 0.000 1.170 801 V HN 0.682 nan 8.190 nan 0.000 0.494 802 L N 2.128 123.374 121.223 0.038 0.000 1.989 802 L HA -0.061 4.278 4.340 -0.002 0.000 0.211 802 L C 1.089 178.038 176.870 0.132 0.000 1.071 802 L CA 1.721 56.613 54.840 0.087 0.000 0.749 802 L CB -0.256 41.861 42.059 0.097 0.000 0.890 802 L HN 0.757 nan 8.230 nan 0.000 0.431 803 H N -1.735 117.301 119.070 -0.057 0.000 2.996 803 H HA 0.660 5.214 4.556 -0.002 0.000 0.368 803 H C -1.505 173.761 175.328 -0.104 0.000 1.185 803 H CA -0.520 55.497 56.048 -0.051 0.000 1.160 803 H CB 1.719 31.470 29.762 -0.019 0.000 1.820 803 H HN 0.018 nan 8.280 nan 0.000 0.547 804 A N 3.265 125.627 122.820 -0.763 0.000 2.353 804 A HA 0.446 4.764 4.320 -0.002 0.000 0.299 804 A C -1.723 175.474 177.584 -0.645 0.000 1.089 804 A CA -0.589 51.143 52.037 -0.508 0.000 0.736 804 A CB 0.636 19.463 19.000 -0.288 0.000 1.195 804 A HN 0.812 nan 8.150 nan 0.000 0.447 805 H N 1.398 120.139 119.070 -0.548 0.000 2.459 805 H HA 0.567 5.121 4.556 -0.002 0.000 0.332 805 H C -0.174 174.905 175.328 -0.415 0.000 1.094 805 H CA 0.024 55.802 56.048 -0.449 0.000 1.224 805 H CB 1.142 30.580 29.762 -0.540 0.000 1.449 805 H HN 0.738 nan 8.280 nan 0.000 0.484 806 Q N 4.524 123.907 119.800 -0.696 0.000 2.245 806 Q HA 0.317 4.656 4.340 -0.002 0.000 0.256 806 Q C -0.894 174.705 176.000 -0.669 0.000 0.942 806 Q CA -0.708 54.801 55.803 -0.490 0.000 0.896 806 Q CB 1.003 29.607 28.738 -0.224 0.000 1.272 806 Q HN 0.554 nan 8.270 nan 0.000 0.442 807 F N 1.178 121.007 119.950 -0.202 0.000 2.251 807 F HA 0.326 4.851 4.527 -0.003 0.000 0.302 807 F C 0.540 176.309 175.800 -0.051 0.000 1.143 807 F CA -0.731 57.204 58.000 -0.109 0.000 1.104 807 F CB 0.480 39.483 39.000 0.005 0.000 1.516 807 F HN 0.385 nan 8.300 nan 0.000 0.511 808 L N 0.426 121.795 121.223 0.244 0.000 2.472 808 L HA 0.122 4.460 4.340 -0.002 0.000 0.260 808 L C 0.044 176.981 176.870 0.112 0.000 1.209 808 L CA -0.566 54.369 54.840 0.158 0.000 0.817 808 L CB 0.097 42.277 42.059 0.201 0.000 1.106 808 L HN 0.504 nan 8.230 nan 0.000 0.479 809 Q N 1.477 121.332 119.800 0.092 0.000 2.349 809 Q HA -0.037 4.301 4.340 -0.002 0.000 0.287 809 Q C 0.232 176.262 176.000 0.050 0.000 1.044 809 Q CA 0.056 55.903 55.803 0.073 0.000 0.918 809 Q CB 0.068 28.857 28.738 0.085 0.000 1.242 809 Q HN 0.505 nan 8.270 nan 0.000 0.405 810 N N 0.923 119.646 118.700 0.039 0.000 2.666 810 N HA -0.249 4.490 4.740 -0.002 0.000 0.248 810 N C -0.701 174.750 175.510 -0.099 0.000 1.118 810 N CA 1.215 54.261 53.050 -0.007 0.000 0.722 810 N CB -0.861 37.579 38.487 -0.078 0.000 1.050 810 N HN 0.671 nan 8.380 nan 0.000 0.550 811 E N -0.102 120.069 120.200 -0.048 0.000 2.156 811 E HA 0.301 4.649 4.350 -0.002 0.000 0.279 811 E C -1.004 175.521 176.600 -0.125 0.000 0.965 811 E CA -0.497 55.848 56.400 -0.093 0.000 0.789 811 E CB 0.750 30.439 29.700 -0.019 0.000 1.098 811 E HN 0.174 nan 8.360 nan 0.000 0.397 812 Y N 1.970 121.966 120.300 -0.508 0.000 2.331 812 Y HA 0.488 5.037 4.550 -0.003 0.000 0.338 812 Y C 0.323 176.061 175.900 -0.269 0.000 0.992 812 Y CA -1.452 56.323 58.100 -0.543 0.000 1.121 812 Y CB 1.896 40.146 38.460 -0.351 0.000 1.184 812 Y HN 0.581 nan 8.280 nan 0.000 0.469 813 A N 4.418 127.238 122.820 -0.000 0.000 2.366 813 A HA 0.447 4.766 4.320 -0.002 0.000 0.272 813 A C 0.179 177.761 177.584 -0.003 0.000 1.135 813 A CA -0.268 51.664 52.037 -0.175 0.000 0.804 813 A CB 0.278 19.120 19.000 -0.264 0.000 1.064 813 A HN 1.026 nan 8.150 nan 0.000 0.499 814 L N 1.711 122.910 121.223 -0.041 0.000 2.749 814 L HA 0.189 4.528 4.340 -0.002 0.000 0.242 814 L C 0.554 177.434 176.870 0.017 0.000 1.103 814 L CA 0.421 55.256 54.840 -0.010 0.000 0.906 814 L CB 0.155 42.165 42.059 -0.082 0.000 1.228 814 L HN 0.742 nan 8.230 nan 0.000 0.517 815 S N 0.117 115.828 115.700 0.018 0.000 2.564 815 S HA 0.771 5.239 4.470 -0.002 0.000 0.274 815 S C -1.155 173.496 174.600 0.085 0.000 1.124 815 S CA -0.667 57.568 58.200 0.058 0.000 0.869 815 S CB 2.934 66.167 63.200 0.055 0.000 1.105 815 S HN 0.014 nan 8.310 nan 0.000 0.472 816 L N 1.526 122.820 121.223 0.117 0.000 2.455 816 L HA 0.871 5.209 4.340 -0.002 0.000 0.264 816 L C -1.677 175.302 176.870 0.182 0.000 0.968 816 L CA -0.371 54.568 54.840 0.164 0.000 0.827 816 L CB 2.068 44.229 42.059 0.169 0.000 1.317 816 L HN 0.767 nan 8.230 nan 0.000 0.407 817 V N 2.407 122.448 119.914 0.212 0.000 2.925 817 V HA 0.625 4.743 4.120 -0.002 0.000 0.311 817 V C -0.742 175.479 176.094 0.213 0.000 1.104 817 V CA -0.606 61.806 62.300 0.186 0.000 0.954 817 V CB 2.357 34.253 31.823 0.123 0.000 1.022 817 V HN 0.739 nan 8.190 nan 0.000 0.427 818 S N 2.868 118.644 115.700 0.128 0.000 2.474 818 S HA 0.779 5.248 4.470 -0.002 0.000 0.321 818 S C -0.559 173.995 174.600 -0.076 0.000 1.080 818 S CA -0.309 57.859 58.200 -0.053 0.000 1.106 818 S CB 0.250 63.371 63.200 -0.131 0.000 0.984 818 S HN 1.169 nan 8.310 nan 0.000 0.464 819 C N 3.173 122.409 119.300 -0.107 0.000 3.295 819 C HA 0.657 5.115 4.460 -0.002 0.000 0.341 819 C C -1.456 173.461 174.990 -0.120 0.000 1.418 819 C CA -1.256 57.707 59.018 -0.092 0.000 1.240 819 C CB 0.742 28.465 27.740 -0.028 0.000 1.562 819 C HN 0.715 nan 8.230 nan 0.000 0.457 820 K N 0.815 121.157 120.400 -0.097 0.000 2.138 820 K HA 0.802 5.120 4.320 -0.002 0.000 0.263 820 K C -1.216 175.357 176.600 -0.045 0.000 0.965 820 K CA -0.267 55.965 56.287 -0.092 0.000 0.868 820 K CB 1.469 33.925 32.500 -0.074 0.000 1.083 820 K HN 0.605 nan 8.250 nan 0.000 0.443 821 L N 1.062 122.260 121.223 -0.041 0.000 2.381 821 L HA 0.441 4.779 4.340 -0.002 0.000 0.268 821 L C 0.690 177.666 176.870 0.176 0.000 0.997 821 L CA -0.529 54.307 54.840 -0.006 0.000 0.818 821 L CB 1.891 43.820 42.059 -0.217 0.000 1.310 821 L HN 0.970 nan 8.230 nan 0.000 0.416 822 G N 2.082 111.005 108.800 0.205 0.000 2.578 822 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.275 822 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.275 822 G C 0.352 175.363 174.900 0.185 0.000 1.271 822 G CA 0.487 45.732 45.100 0.242 0.000 0.941 822 G HN 0.748 nan 8.290 nan 0.000 0.564 823 K N 0.651 121.154 120.400 0.172 0.000 2.486 823 K HA 0.123 4.441 4.320 -0.002 0.000 0.194 823 K C 0.846 177.526 176.600 0.134 0.000 1.033 823 K CA 0.490 56.848 56.287 0.119 0.000 1.004 823 K CB 0.099 32.649 32.500 0.083 0.000 0.798 823 K HN 0.509 nan 8.250 nan 0.000 0.495 824 D N 1.290 121.826 120.400 0.227 0.000 2.458 824 D HA -0.011 4.628 4.640 -0.002 0.000 0.243 824 D C -1.682 174.689 176.300 0.119 0.000 1.146 824 D CA -1.761 52.387 54.000 0.246 0.000 0.877 824 D CB 1.338 42.460 40.800 0.538 0.000 1.176 824 D HN -0.088 nan 8.370 nan 0.000 0.461 825 P HA -0.058 nan 4.420 nan 0.000 0.217 825 P C 0.100 177.344 177.300 -0.094 0.000 1.154 825 P CA 0.259 63.352 63.100 -0.011 0.000 0.841 825 P CB 0.136 31.830 31.700 -0.011 0.000 0.788 826 N N -0.013 118.597 118.700 -0.149 0.000 2.207 826 N HA -0.007 4.731 4.740 -0.002 0.000 0.220 826 N C 0.063 175.253 175.510 -0.533 0.000 1.303 826 N CA 1.021 53.846 53.050 -0.375 0.000 0.875 826 N CB -0.510 37.629 38.487 -0.580 0.000 1.094 826 N HN -0.059 nan 8.380 nan 0.000 0.435 827 T N 1.463 115.651 114.554 -0.610 0.000 2.833 827 T HA 0.369 4.718 4.350 -0.002 0.000 0.297 827 T C -0.684 173.654 174.700 -0.604 0.000 1.015 827 T CA -0.340 61.444 62.100 -0.527 0.000 0.963 827 T CB -0.018 68.625 68.868 -0.374 0.000 0.955 827 T HN 0.190 nan 8.240 nan 0.000 0.449 828 Y N 1.327 121.491 120.300 -0.226 0.000 2.374 828 Y HA 0.602 5.151 4.550 -0.003 0.000 0.322 828 Y C 0.148 175.906 175.900 -0.236 0.000 1.275 828 Y CA -1.304 56.685 58.100 -0.185 0.000 1.307 828 Y CB 0.787 39.138 38.460 -0.183 0.000 1.282 828 Y HN 0.479 nan 8.280 nan 0.000 0.509 829 F N 2.185 122.272 119.950 0.229 0.000 2.410 829 F HA 0.452 4.978 4.527 -0.002 0.000 0.349 829 F C -0.119 175.814 175.800 0.223 0.000 1.117 829 F CA -0.725 57.398 58.000 0.204 0.000 1.104 829 F CB 0.563 39.700 39.000 0.229 0.000 1.122 829 F HN 0.093 nan 8.300 nan 0.000 0.483 830 I N 4.019 124.786 120.570 0.327 0.000 2.474 830 I HA 0.573 4.742 4.170 -0.002 0.000 0.294 830 I C -1.008 175.231 176.117 0.202 0.000 1.005 830 I CA -1.073 60.321 61.300 0.157 0.000 1.113 830 I CB 1.999 40.014 38.000 0.024 0.000 1.289 830 I HN 0.125 nan 8.210 nan 0.000 0.436 831 V N 3.479 123.492 119.914 0.165 0.000 2.656 831 V HA 0.606 4.725 4.120 -0.002 0.000 0.307 831 V C 0.310 176.444 176.094 0.066 0.000 1.051 831 V CA -0.578 61.832 62.300 0.182 0.000 0.893 831 V CB 1.970 34.010 31.823 0.361 0.000 0.999 831 V HN 0.926 nan 8.190 nan 0.000 0.426 832 G N 1.987 110.801 108.800 0.024 0.000 2.332 832 G HA2 0.653 4.611 3.960 -0.002 0.000 0.310 832 G HA3 0.653 4.611 3.960 -0.002 0.000 0.310 832 G C -0.104 174.746 174.900 -0.082 0.000 1.123 832 G CA 0.106 45.189 45.100 -0.029 0.000 0.873 832 G HN 0.870 nan 8.290 nan 0.000 0.460 833 T N -1.353 113.138 114.554 -0.106 0.000 2.773 833 T HA 0.840 5.189 4.350 -0.002 0.000 0.278 833 T C -0.459 174.131 174.700 -0.183 0.000 1.011 833 T CA -0.463 61.538 62.100 -0.165 0.000 1.014 833 T CB 2.124 70.870 68.868 -0.204 0.000 1.293 833 T HN 1.612 nan 8.240 nan 0.000 0.554 834 A N 1.522 124.207 122.820 -0.225 0.000 2.459 834 A HA 0.626 4.944 4.320 -0.002 0.000 0.296 834 A C -0.394 176.957 177.584 -0.387 0.000 1.039 834 A CA -0.921 50.936 52.037 -0.300 0.000 0.698 834 A CB 1.325 20.103 19.000 -0.370 0.000 1.261 834 A HN 0.762 nan 8.150 nan 0.000 0.405 835 M N 2.977 122.288 119.600 -0.481 0.000 2.266 835 M HA 0.165 4.643 4.480 -0.002 0.000 0.340 835 M C -0.265 175.501 176.300 -0.889 0.000 1.486 835 M CA 0.022 54.869 55.300 -0.754 0.000 1.209 835 M CB 0.058 32.083 32.600 -0.959 0.000 1.714 835 M HN 0.321 nan 8.290 nan 0.000 0.459 836 V N 6.254 125.659 119.914 -0.849 0.000 2.258 836 V HA 0.189 4.308 4.120 -0.002 0.000 0.258 836 V C -0.255 175.504 176.094 -0.558 0.000 1.121 836 V CA -0.473 61.380 62.300 -0.745 0.000 0.942 836 V CB -0.946 30.189 31.823 -1.147 0.000 1.170 836 V HN 0.570 nan 8.190 nan 0.000 0.487 837 Y N 5.627 125.800 120.300 -0.211 0.000 2.319 837 Y HA 0.215 4.764 4.550 -0.002 0.000 0.328 837 Y C -0.705 175.130 175.900 -0.109 0.000 1.133 837 Y CA -1.969 56.048 58.100 -0.138 0.000 1.265 837 Y CB 0.533 38.921 38.460 -0.120 0.000 1.218 837 Y HN 0.431 nan 8.280 nan 0.000 0.508 838 P HA -0.287 nan 4.420 nan 0.000 0.214 838 P C 0.964 178.281 177.300 0.028 0.000 1.172 838 P CA 2.160 65.287 63.100 0.045 0.000 0.925 838 P CB 0.171 31.901 31.700 0.049 0.000 0.793 839 E N 0.791 121.008 120.200 0.028 0.000 1.977 839 E HA -0.155 4.194 4.350 -0.002 0.000 0.201 839 E C 0.157 176.766 176.600 0.015 0.000 0.976 839 E CA 0.600 57.009 56.400 0.015 0.000 0.868 839 E CB -1.317 28.384 29.700 0.002 0.000 0.816 839 E HN 0.153 nan 8.360 nan 0.000 0.522 840 E N 1.591 121.801 120.200 0.017 0.000 2.406 840 E HA 0.078 4.427 4.350 -0.002 0.000 0.247 840 E C 0.429 177.035 176.600 0.011 0.000 1.160 840 E CA 0.333 56.742 56.400 0.014 0.000 0.950 840 E CB 0.700 30.409 29.700 0.016 0.000 0.993 840 E HN 0.500 nan 8.360 nan 0.000 0.472 841 A N 3.973 126.797 122.820 0.005 0.000 1.844 841 A HA -0.210 4.109 4.320 -0.002 0.000 0.214 841 A C 1.272 178.848 177.584 -0.012 0.000 1.217 841 A CA 0.917 52.952 52.037 -0.004 0.000 0.644 841 A CB -0.330 18.672 19.000 0.002 0.000 0.850 841 A HN 0.550 nan 8.150 nan 0.000 0.456 842 E N 1.483 121.688 120.200 0.007 0.000 2.491 842 E HA 0.159 4.507 4.350 -0.002 0.000 0.250 842 E C -2.289 174.310 176.600 -0.002 0.000 1.061 842 E CA -1.866 54.546 56.400 0.019 0.000 0.942 842 E CB -0.268 29.445 29.700 0.022 0.000 0.957 842 E HN 0.153 nan 8.360 nan 0.000 0.480 843 P HA -0.119 nan 4.420 nan 0.000 0.261 843 P C -0.120 177.150 177.300 -0.049 0.000 1.165 843 P CA 0.365 63.410 63.100 -0.092 0.000 0.759 843 P CB 0.467 32.076 31.700 -0.152 0.000 0.772 844 K N 0.993 121.360 120.400 -0.054 0.000 2.348 844 K HA 0.184 4.502 4.320 -0.002 0.000 0.194 844 K C 0.438 177.024 176.600 -0.023 0.000 1.052 844 K CA 0.604 56.883 56.287 -0.013 0.000 1.004 844 K CB 0.256 32.766 32.500 0.017 0.000 0.873 844 K HN 0.441 nan 8.250 nan 0.000 0.523 845 Q N -0.920 118.816 119.800 -0.106 0.000 2.421 845 Q HA 0.737 5.075 4.340 -0.002 0.000 0.280 845 Q C -0.730 175.175 176.000 -0.158 0.000 1.085 845 Q CA -0.886 54.850 55.803 -0.111 0.000 0.807 845 Q CB 2.764 31.337 28.738 -0.275 0.000 1.405 845 Q HN 0.245 nan 8.270 nan 0.000 0.419 846 G N 0.570 109.376 108.800 0.010 0.000 2.608 846 G HA2 0.664 4.622 3.960 -0.002 0.000 0.291 846 G HA3 0.664 4.622 3.960 -0.002 0.000 0.291 846 G C -1.618 173.372 174.900 0.150 0.000 1.425 846 G CA -0.712 44.391 45.100 0.005 0.000 0.787 846 G HN 0.349 nan 8.290 nan 0.000 0.484 847 R N -0.764 119.787 120.500 0.085 0.000 2.807 847 R HA 0.593 4.932 4.340 -0.002 0.000 0.276 847 R C -1.042 175.256 176.300 -0.005 0.000 0.979 847 R CA -0.919 55.225 56.100 0.073 0.000 0.928 847 R CB 2.641 33.014 30.300 0.120 0.000 1.191 847 R HN 0.368 nan 8.270 nan 0.000 0.471 848 I N 2.551 123.091 120.570 -0.051 0.000 2.390 848 I HA 0.253 4.421 4.170 -0.002 0.000 0.283 848 I C -0.454 175.596 176.117 -0.111 0.000 1.016 848 I CA -0.865 60.375 61.300 -0.099 0.000 1.151 848 I CB 1.767 39.647 38.000 -0.200 0.000 1.293 848 I HN 0.164 nan 8.210 nan 0.000 0.458 849 V N 6.995 126.844 119.914 -0.109 0.000 2.539 849 V HA 0.374 4.493 4.120 -0.002 0.000 0.292 849 V C 0.164 176.022 176.094 -0.392 0.000 1.045 849 V CA -0.683 61.459 62.300 -0.262 0.000 0.945 849 V CB 2.109 33.732 31.823 -0.333 0.000 0.993 849 V HN 0.350 nan 8.190 nan 0.000 0.464 850 V N 5.058 124.713 119.914 -0.432 0.000 2.370 850 V HA 0.515 4.633 4.120 -0.002 0.000 0.283 850 V C -0.534 175.343 176.094 -0.362 0.000 1.023 850 V CA -0.353 61.713 62.300 -0.390 0.000 0.857 850 V CB 1.066 32.623 31.823 -0.443 0.000 0.985 850 V HN 0.654 nan 8.190 nan 0.000 0.443 851 F N 2.629 122.625 119.950 0.076 0.000 2.522 851 F HA 0.589 5.115 4.527 -0.002 0.000 0.324 851 F C 0.235 176.227 175.800 0.319 0.000 1.077 851 F CA -0.576 57.517 58.000 0.155 0.000 0.944 851 F CB 1.973 41.087 39.000 0.189 0.000 1.175 851 F HN 0.363 nan 8.300 nan 0.000 0.468 852 Q N 2.169 122.272 119.800 0.506 0.000 2.353 852 Q HA 0.303 4.642 4.340 -0.002 0.000 0.268 852 Q C -2.005 174.197 176.000 0.336 0.000 1.045 852 Q CA -0.912 55.139 55.803 0.412 0.000 0.811 852 Q CB 2.033 30.999 28.738 0.380 0.000 1.305 852 Q HN 0.683 nan 8.270 nan 0.000 0.447 853 Y N 2.148 122.526 120.300 0.130 0.000 2.342 853 Y HA 0.389 4.937 4.550 -0.003 0.000 0.338 853 Y C -0.538 175.363 175.900 0.001 0.000 0.965 853 Y CA 0.148 58.291 58.100 0.072 0.000 1.159 853 Y CB 1.237 39.789 38.460 0.154 0.000 1.157 853 Y HN 0.685 nan 8.280 nan 0.000 0.486 854 S N 2.382 117.850 115.700 -0.385 0.000 4.383 854 S HA 0.054 4.522 4.470 -0.002 0.000 0.216 854 S C 0.805 175.183 174.600 -0.371 0.000 1.122 854 S CA -0.003 58.014 58.200 -0.305 0.000 1.745 854 S CB -0.116 62.995 63.200 -0.148 0.000 1.094 854 S HN 0.754 nan 8.310 nan 0.000 0.754 855 D N 0.956 121.222 120.400 -0.225 0.000 2.339 855 D HA -0.169 4.470 4.640 -0.002 0.000 0.189 855 D C 1.047 177.207 176.300 -0.234 0.000 1.022 855 D CA 2.559 56.453 54.000 -0.177 0.000 0.884 855 D CB -0.463 40.266 40.800 -0.118 0.000 0.916 855 D HN 0.632 nan 8.370 nan 0.000 0.453 856 G N -1.993 106.608 108.800 -0.331 0.000 4.211 856 G HA2 0.073 4.032 3.960 -0.002 0.000 0.192 856 G HA3 0.073 4.032 3.960 -0.002 0.000 0.192 856 G C -0.037 174.614 174.900 -0.415 0.000 0.951 856 G CA -0.410 44.463 45.100 -0.378 0.000 0.804 856 G HN 0.163 nan 8.290 nan 0.000 0.489 857 K N 0.318 120.471 120.400 -0.411 0.000 2.258 857 K HA 0.600 4.918 4.320 -0.002 0.000 0.236 857 K C -1.344 175.175 176.600 -0.135 0.000 1.008 857 K CA -0.927 55.226 56.287 -0.223 0.000 0.869 857 K CB 2.441 34.853 32.500 -0.147 0.000 1.171 857 K HN 0.001 nan 8.250 nan 0.000 0.447 858 L N 3.355 124.521 121.223 -0.095 0.000 2.337 858 L HA 0.270 4.608 4.340 -0.002 0.000 0.269 858 L C -0.562 176.302 176.870 -0.011 0.000 1.018 858 L CA -0.138 54.716 54.840 0.024 0.000 0.876 858 L CB 0.835 42.791 42.059 -0.172 0.000 1.236 858 L HN 0.644 nan 8.230 nan 0.000 0.436 859 Q N 1.956 121.812 119.800 0.094 0.000 2.312 859 Q HA 0.316 4.654 4.340 -0.002 0.000 0.236 859 Q C -0.218 175.912 176.000 0.218 0.000 0.965 859 Q CA -0.239 55.634 55.803 0.116 0.000 0.894 859 Q CB 1.190 29.996 28.738 0.113 0.000 1.225 859 Q HN 0.485 nan 8.270 nan 0.000 0.478 860 T N 1.629 116.278 114.554 0.158 0.000 3.336 860 T HA 0.155 4.504 4.350 -0.002 0.000 0.384 860 T C 1.244 175.966 174.700 0.037 0.000 1.704 860 T CA -0.274 61.908 62.100 0.137 0.000 1.334 860 T CB 0.248 69.179 68.868 0.105 0.000 1.131 860 T HN 0.360 nan 8.240 nan 0.000 0.684 861 V N 1.055 120.990 119.914 0.034 0.000 2.231 861 V HA -0.079 4.039 4.120 -0.002 0.000 0.250 861 V C 1.403 177.501 176.094 0.007 0.000 1.058 861 V CA 1.888 64.197 62.300 0.016 0.000 1.022 861 V CB -0.653 31.139 31.823 -0.051 0.000 0.640 861 V HN 0.859 nan 8.190 nan 0.000 0.445 862 A N -1.980 120.820 122.820 -0.033 0.000 2.593 862 A HA 0.700 5.019 4.320 -0.002 0.000 0.290 862 A C 0.413 177.954 177.584 -0.071 0.000 1.126 862 A CA 0.085 52.126 52.037 0.006 0.000 0.695 862 A CB 2.248 21.355 19.000 0.177 0.000 1.290 862 A HN 0.152 nan 8.150 nan 0.000 0.414 863 E N -0.034 120.137 120.200 -0.048 0.000 2.905 863 E HA 0.256 4.604 4.350 -0.002 0.000 0.197 863 E C -0.474 176.087 176.600 -0.065 0.000 1.016 863 E CA 0.283 56.641 56.400 -0.070 0.000 1.307 863 E CB 0.391 30.059 29.700 -0.053 0.000 1.255 863 E HN 0.660 nan 8.360 nan 0.000 0.527 864 K N 2.539 122.908 120.400 -0.052 0.000 6.012 864 K HA -0.210 4.109 4.320 -0.002 0.000 0.567 864 K C -0.742 175.829 176.600 -0.047 0.000 1.451 864 K CA 0.752 57.006 56.287 -0.055 0.000 1.465 864 K CB -0.569 31.876 32.500 -0.091 0.000 1.828 864 K HN 0.326 nan 8.250 nan 0.000 0.335 865 E N 2.160 122.341 120.200 -0.032 0.000 2.390 865 E HA 0.424 4.773 4.350 -0.002 0.000 0.261 865 E C -0.832 175.801 176.600 0.055 0.000 1.076 865 E CA -0.650 55.755 56.400 0.010 0.000 0.905 865 E CB 0.924 30.595 29.700 -0.050 0.000 0.984 865 E HN 0.269 nan 8.360 nan 0.000 0.427 866 V N 3.246 123.222 119.914 0.102 0.000 3.087 866 V HA 0.206 4.324 4.120 -0.002 0.000 0.306 866 V C -0.948 175.212 176.094 0.109 0.000 1.187 866 V CA -0.857 61.502 62.300 0.098 0.000 0.999 866 V CB 2.388 34.253 31.823 0.070 0.000 1.049 866 V HN 0.713 nan 8.190 nan 0.000 0.431 867 K N 2.596 123.047 120.400 0.085 0.000 3.000 867 K HA 0.641 4.960 4.320 -0.002 0.000 0.239 867 K C 0.134 176.761 176.600 0.046 0.000 1.269 867 K CA 0.244 56.573 56.287 0.071 0.000 1.220 867 K CB 0.778 33.311 32.500 0.054 0.000 1.645 867 K HN 0.943 nan 8.250 nan 0.000 0.423 868 G N -0.122 108.694 108.800 0.026 0.000 2.356 868 G HA2 0.322 4.281 3.960 -0.002 0.000 0.300 868 G HA3 0.322 4.281 3.960 -0.002 0.000 0.300 868 G C -1.598 173.272 174.900 -0.051 0.000 1.331 868 G CA -0.739 44.361 45.100 0.000 0.000 0.905 868 G HN 0.237 nan 8.290 nan 0.000 0.587 869 A N -1.004 121.754 122.820 -0.103 0.000 2.371 869 A HA 0.633 4.952 4.320 -0.002 0.000 0.257 869 A C 0.215 177.646 177.584 -0.255 0.000 1.089 869 A CA -0.131 51.719 52.037 -0.313 0.000 0.794 869 A CB 0.959 19.558 19.000 -0.668 0.000 1.029 869 A HN 1.585 nan 8.150 nan 0.000 0.488 870 V N 3.486 123.239 119.914 -0.269 0.000 2.257 870 V HA 0.124 4.243 4.120 -0.002 0.000 0.269 870 V C 0.003 176.011 176.094 -0.143 0.000 1.040 870 V CA 0.004 62.242 62.300 -0.103 0.000 0.813 870 V CB -0.546 31.241 31.823 -0.061 0.000 1.065 870 V HN 0.954 nan 8.190 nan 0.000 0.457 871 Y N 2.211 122.495 120.300 -0.026 0.000 2.314 871 Y HA -0.001 4.547 4.550 -0.003 0.000 0.293 871 Y C 1.399 177.283 175.900 -0.026 0.000 1.129 871 Y CA 1.001 59.076 58.100 -0.041 0.000 1.201 871 Y CB 0.467 38.879 38.460 -0.081 0.000 0.999 871 Y HN 0.722 nan 8.280 nan 0.000 0.541 872 S N -0.429 115.345 115.700 0.123 0.000 2.597 872 S HA 0.629 5.097 4.470 -0.002 0.000 0.274 872 S C -0.982 173.664 174.600 0.077 0.000 1.132 872 S CA -1.145 57.110 58.200 0.091 0.000 0.835 872 S CB 1.635 64.892 63.200 0.095 0.000 1.092 872 S HN 0.173 nan 8.310 nan 0.000 0.457 873 M N 0.415 120.064 119.600 0.081 0.000 2.578 873 M HA 0.917 5.396 4.480 -0.002 0.000 0.276 873 M C -1.892 174.464 176.300 0.093 0.000 1.245 873 M CA -0.997 54.351 55.300 0.079 0.000 0.871 873 M CB 1.793 34.438 32.600 0.075 0.000 1.722 873 M HN 0.904 nan 8.290 nan 0.000 0.473 874 V N 0.520 120.493 119.914 0.098 0.000 3.012 874 V HA 0.425 4.544 4.120 -0.002 0.000 0.307 874 V C -1.198 174.984 176.094 0.146 0.000 1.166 874 V CA -0.347 62.026 62.300 0.122 0.000 0.974 874 V CB 2.290 34.191 31.823 0.131 0.000 1.040 874 V HN 1.016 nan 8.190 nan 0.000 0.428 875 E N 4.494 124.780 120.200 0.143 0.000 2.265 875 E HA 0.069 4.418 4.350 -0.002 0.000 0.272 875 E C -0.601 176.138 176.600 0.231 0.000 1.067 875 E CA 0.022 56.512 56.400 0.151 0.000 0.900 875 E CB 0.811 30.567 29.700 0.094 0.000 1.017 875 E HN 0.611 nan 8.360 nan 0.000 0.431 876 F N 5.680 125.664 119.950 0.057 0.000 2.125 876 F HA 0.039 4.565 4.527 -0.001 0.000 0.279 876 F C 1.604 177.441 175.800 0.061 0.000 1.309 876 F CA 0.898 58.936 58.000 0.063 0.000 1.102 876 F CB -0.200 38.822 39.000 0.036 0.000 0.968 876 F HN 0.520 nan 8.300 nan 0.000 0.513 877 N N -1.241 117.395 118.700 -0.107 0.000 2.545 877 N HA 0.153 4.892 4.740 -0.002 0.000 0.190 877 N C 1.273 176.753 175.510 -0.049 0.000 1.043 877 N CA 1.012 53.936 53.050 -0.209 0.000 0.879 877 N CB 0.789 39.031 38.487 -0.407 0.000 1.210 877 N HN 0.513 nan 8.380 nan 0.000 0.437 878 G N 0.106 108.909 108.800 0.004 0.000 2.800 878 G HA2 0.161 4.120 3.960 -0.002 0.000 0.180 878 G HA3 0.161 4.120 3.960 -0.002 0.000 0.180 878 G C 0.591 175.548 174.900 0.095 0.000 1.297 878 G CA -0.146 44.984 45.100 0.049 0.000 0.884 878 G HN -0.027 nan 8.290 nan 0.000 0.869 879 K N -0.534 119.933 120.400 0.113 0.000 2.646 879 K HA 0.705 5.024 4.320 -0.002 0.000 0.270 879 K C -1.294 175.404 176.600 0.163 0.000 1.026 879 K CA -0.720 55.651 56.287 0.140 0.000 1.043 879 K CB 1.223 33.777 32.500 0.090 0.000 1.383 879 K HN 0.059 nan 8.250 nan 0.000 0.513 880 L N 1.626 122.964 121.223 0.192 0.000 2.381 880 L HA 0.373 4.711 4.340 -0.002 0.000 0.274 880 L C -1.716 175.287 176.870 0.221 0.000 0.988 880 L CA -0.747 54.203 54.840 0.184 0.000 0.824 880 L CB 1.512 43.655 42.059 0.140 0.000 1.263 880 L HN 0.343 nan 8.230 nan 0.000 0.410 881 L N 5.555 126.873 121.223 0.160 0.000 2.272 881 L HA 0.922 5.260 4.340 -0.002 0.000 0.289 881 L C -0.559 176.378 176.870 0.111 0.000 1.032 881 L CA -0.037 54.863 54.840 0.100 0.000 0.810 881 L CB 0.883 42.924 42.059 -0.029 0.000 1.205 881 L HN 0.796 nan 8.230 nan 0.000 0.422 882 A N 3.168 126.084 122.820 0.161 0.000 2.423 882 A HA 0.786 5.104 4.320 -0.002 0.000 0.304 882 A C -0.868 176.782 177.584 0.111 0.000 1.104 882 A CA -0.562 51.562 52.037 0.144 0.000 0.757 882 A CB 1.691 20.816 19.000 0.207 0.000 1.313 882 A HN 0.642 nan 8.150 nan 0.000 0.423 883 S N 1.083 116.835 115.700 0.086 0.000 2.520 883 S HA 0.566 5.034 4.470 -0.002 0.000 0.324 883 S C -0.885 173.789 174.600 0.124 0.000 1.069 883 S CA -0.400 57.845 58.200 0.075 0.000 1.121 883 S CB -0.519 62.707 63.200 0.044 0.000 0.971 883 S HN 0.441 nan 8.310 nan 0.000 0.463 884 I N 5.343 125.987 120.570 0.124 0.000 2.347 884 I HA 0.316 4.484 4.170 -0.002 0.000 0.283 884 I C 0.465 176.665 176.117 0.139 0.000 1.058 884 I CA -0.508 60.871 61.300 0.132 0.000 1.202 884 I CB 0.540 38.609 38.000 0.115 0.000 1.386 884 I HN 0.711 nan 8.210 nan 0.000 0.475 885 N N 5.098 123.936 118.700 0.231 0.000 2.527 885 N HA -0.239 4.500 4.740 -0.002 0.000 0.293 885 N C 0.389 175.940 175.510 0.069 0.000 1.283 885 N CA 0.998 54.164 53.050 0.193 0.000 0.702 885 N CB 0.049 38.637 38.487 0.168 0.000 0.937 885 N HN 0.827 nan 8.380 nan 0.000 0.536 886 S N -0.431 115.270 115.700 0.001 0.000 3.358 886 S HA -0.196 4.272 4.470 -0.002 0.000 0.309 886 S C 0.056 174.678 174.600 0.036 0.000 1.247 886 S CA 1.672 59.866 58.200 -0.010 0.000 0.961 886 S CB -0.978 62.218 63.200 -0.006 0.000 1.074 886 S HN 0.786 nan 8.310 nan 0.000 0.625 887 T N 0.927 115.517 114.554 0.060 0.000 2.916 887 T HA 0.580 4.929 4.350 -0.002 0.000 0.298 887 T C -0.306 174.448 174.700 0.089 0.000 1.031 887 T CA -0.529 61.634 62.100 0.106 0.000 0.993 887 T CB 2.106 71.041 68.868 0.112 0.000 1.045 887 T HN 0.014 nan 8.240 nan 0.000 0.454 888 V N 3.708 123.678 119.914 0.092 0.000 2.459 888 V HA 0.636 4.755 4.120 -0.002 0.000 0.295 888 V C 0.024 176.185 176.094 0.111 0.000 1.029 888 V CA -0.761 61.565 62.300 0.043 0.000 0.874 888 V CB 1.673 33.437 31.823 -0.100 0.000 0.985 888 V HN 0.707 nan 8.190 nan 0.000 0.438 889 R N 3.050 123.597 120.500 0.078 0.000 2.795 889 R HA 0.699 5.037 4.340 -0.002 0.000 0.275 889 R C -1.818 174.458 176.300 -0.039 0.000 0.981 889 R CA -0.991 55.107 56.100 -0.003 0.000 0.917 889 R CB 2.335 32.544 30.300 -0.152 0.000 1.202 889 R HN 0.453 nan 8.270 nan 0.000 0.469 890 L N 2.225 123.361 121.223 -0.144 0.000 2.341 890 L HA 0.462 4.801 4.340 -0.002 0.000 0.278 890 L C -1.517 175.204 176.870 -0.248 0.000 1.005 890 L CA -0.455 54.321 54.840 -0.107 0.000 0.818 890 L CB 1.185 43.159 42.059 -0.142 0.000 1.259 890 L HN 0.484 nan 8.230 nan 0.000 0.418 891 Y N 2.323 122.657 120.300 0.056 0.000 2.377 891 Y HA 0.463 5.012 4.550 -0.002 0.000 0.339 891 Y C 0.116 176.078 175.900 0.103 0.000 1.011 891 Y CA -0.547 57.601 58.100 0.080 0.000 1.093 891 Y CB 1.716 40.230 38.460 0.091 0.000 1.201 891 Y HN 0.559 nan 8.280 nan 0.000 0.455 892 E N 3.768 124.110 120.200 0.237 0.000 2.231 892 E HA 0.085 4.434 4.350 -0.002 0.000 0.277 892 E C -1.302 175.481 176.600 0.304 0.000 0.999 892 E CA -0.718 55.809 56.400 0.212 0.000 0.827 892 E CB 0.847 30.618 29.700 0.120 0.000 1.101 892 E HN 0.772 nan 8.360 nan 0.000 0.393 893 W N 6.473 127.812 121.300 0.064 0.000 2.316 893 W HA 0.178 4.836 4.660 -0.003 0.000 0.339 893 W C -0.627 175.913 176.519 0.034 0.000 1.002 893 W CA -0.770 56.601 57.345 0.043 0.000 1.465 893 W CB 0.797 30.287 29.460 0.049 0.000 1.300 893 W HN 0.544 nan 8.180 nan 0.000 0.378 894 T N 2.568 116.979 114.554 -0.238 0.000 2.836 894 T HA -0.188 4.161 4.350 -0.002 0.000 0.343 894 T C 1.721 176.175 174.700 -0.409 0.000 1.081 894 T CA 1.609 63.532 62.100 -0.296 0.000 1.126 894 T CB 0.833 69.500 68.868 -0.335 0.000 1.060 894 T HN 0.583 nan 8.240 nan 0.000 0.536 895 T N -0.833 113.585 114.554 -0.227 0.000 3.067 895 T HA 0.077 4.426 4.350 -0.002 0.000 0.257 895 T C 1.250 175.837 174.700 -0.189 0.000 1.105 895 T CA 0.194 62.195 62.100 -0.166 0.000 1.104 895 T CB 0.042 68.864 68.868 -0.076 0.000 0.925 895 T HN 0.457 nan 8.240 nan 0.000 0.498 896 E N 1.655 121.721 120.200 -0.224 0.000 2.511 896 E HA 0.233 4.582 4.350 -0.002 0.000 0.196 896 E C 0.133 176.530 176.600 -0.338 0.000 1.066 896 E CA 0.049 56.320 56.400 -0.215 0.000 0.871 896 E CB -0.348 29.250 29.700 -0.169 0.000 0.863 896 E HN 0.563 nan 8.360 nan 0.000 0.520 897 K N 0.664 120.679 120.400 -0.641 0.000 3.241 897 K HA -0.123 4.196 4.320 -0.002 0.000 0.268 897 K C -0.955 175.047 176.600 -0.997 0.000 1.180 897 K CA 0.383 56.088 56.287 -0.972 0.000 0.801 897 K CB -1.167 31.159 32.500 -0.289 0.000 1.304 897 K HN 0.107 nan 8.250 nan 0.000 0.496 898 D N 0.146 119.867 120.400 -1.131 0.000 2.857 898 D HA 0.356 4.995 4.640 -0.002 0.000 0.227 898 D C -1.196 174.941 176.300 -0.272 0.000 1.192 898 D CA -0.439 53.264 54.000 -0.495 0.000 0.857 898 D CB 2.260 42.891 40.800 -0.282 0.000 1.645 898 D HN -0.065 nan 8.370 nan 0.000 0.482 899 V N 3.924 123.896 119.914 0.097 0.000 2.350 899 V HA 0.556 4.675 4.120 -0.002 0.000 0.276 899 V C -0.247 175.972 176.094 0.208 0.000 1.028 899 V CA -0.294 62.181 62.300 0.292 0.000 0.860 899 V CB 0.993 32.964 31.823 0.247 0.000 0.990 899 V HN 0.588 nan 8.190 nan 0.000 0.453 900 R N 3.184 123.829 120.500 0.242 0.000 2.744 900 R HA 0.826 5.164 4.340 -0.002 0.000 0.279 900 R C -0.546 175.866 176.300 0.188 0.000 0.977 900 R CA -0.459 55.763 56.100 0.203 0.000 0.906 900 R CB 1.967 32.313 30.300 0.076 0.000 1.197 900 R HN 0.481 nan 8.270 nan 0.000 0.463 901 T N 0.012 114.619 114.554 0.089 0.000 2.762 901 T HA 0.457 4.806 4.350 -0.002 0.000 0.272 901 T C -1.142 173.529 174.700 -0.048 0.000 0.982 901 T CA -0.806 61.234 62.100 -0.099 0.000 1.013 901 T CB 1.138 69.789 68.868 -0.362 0.000 1.309 901 T HN 0.718 nan 8.240 nan 0.000 0.572 902 E N 0.899 121.064 120.200 -0.059 0.000 2.580 902 E HA 0.272 4.621 4.350 -0.002 0.000 0.248 902 E C 0.536 177.106 176.600 -0.051 0.000 1.018 902 E CA -0.473 55.889 56.400 -0.063 0.000 0.775 902 E CB 0.329 29.972 29.700 -0.094 0.000 1.378 902 E HN 0.595 nan 8.360 nan 0.000 0.401 903 C N 1.582 120.842 119.300 -0.067 0.000 2.397 903 C HA -0.149 4.309 4.460 -0.002 0.000 0.286 903 C C 2.122 177.087 174.990 -0.042 0.000 1.308 903 C CA 0.778 59.742 59.018 -0.091 0.000 1.805 903 C CB -1.106 26.569 27.740 -0.108 0.000 1.952 903 C HN 0.743 nan 8.230 nan 0.000 0.518 904 N N 0.006 118.684 118.700 -0.037 0.000 2.635 904 N HA -0.049 4.689 4.740 -0.002 0.000 0.191 904 N C 0.073 175.738 175.510 0.258 0.000 1.155 904 N CA 0.745 53.801 53.050 0.011 0.000 0.927 904 N CB -0.252 38.130 38.487 -0.176 0.000 0.976 904 N HN 0.721 nan 8.380 nan 0.000 0.448 905 H N -1.447 117.757 119.070 0.223 0.000 3.026 905 H HA 0.329 4.884 4.556 -0.002 0.000 0.352 905 H C -1.369 174.179 175.328 0.368 0.000 1.090 905 H CA -0.983 55.194 56.048 0.215 0.000 1.268 905 H CB 1.207 31.014 29.762 0.075 0.000 1.816 905 H HN 0.087 nan 8.280 nan 0.000 0.518 906 Y N 0.787 121.149 120.300 0.103 0.000 3.068 906 Y HA 0.107 4.655 4.550 -0.002 0.000 0.419 906 Y C -2.440 173.520 175.900 0.100 0.000 1.145 906 Y CA -1.295 56.853 58.100 0.080 0.000 1.237 906 Y CB 0.945 39.434 38.460 0.048 0.000 1.733 906 Y HN 0.585 nan 8.280 nan 0.000 0.472 907 N N 1.448 120.145 118.700 -0.004 0.000 2.397 907 N HA 0.270 5.009 4.740 -0.002 0.000 0.291 907 N C -1.991 173.496 175.510 -0.039 0.000 1.065 907 N CA -0.680 52.289 53.050 -0.135 0.000 0.884 907 N CB 1.453 39.954 38.487 0.022 0.000 1.551 907 N HN 0.706 nan 8.380 nan 0.000 0.487 908 N N 4.302 122.954 118.700 -0.081 0.000 2.421 908 N HA 0.347 5.086 4.740 -0.002 0.000 0.260 908 N C -0.699 174.792 175.510 -0.030 0.000 1.173 908 N CA 0.357 53.422 53.050 0.024 0.000 0.960 908 N CB 0.119 38.633 38.487 0.045 0.000 1.273 908 N HN 0.518 nan 8.380 nan 0.000 0.497 909 I N 0.281 120.833 120.570 -0.030 0.000 2.947 909 I HA 0.227 4.396 4.170 -0.002 0.000 0.301 909 I C -0.520 175.552 176.117 -0.074 0.000 1.453 909 I CA -0.591 60.662 61.300 -0.078 0.000 0.984 909 I CB 2.411 40.342 38.000 -0.115 0.000 1.333 909 I HN 0.136 nan 8.210 nan 0.000 0.475 910 M N 3.923 123.454 119.600 -0.115 0.000 2.561 910 M HA 0.529 5.008 4.480 -0.002 0.000 0.266 910 M C -0.539 175.638 176.300 -0.204 0.000 1.080 910 M CA -0.493 54.714 55.300 -0.155 0.000 0.993 910 M CB 0.711 33.187 32.600 -0.206 0.000 1.303 910 M HN 0.702 nan 8.290 nan 0.000 0.462 911 A N 3.670 126.398 122.820 -0.154 0.000 2.544 911 A HA 0.299 4.618 4.320 -0.002 0.000 0.301 911 A C 0.738 178.197 177.584 -0.208 0.000 1.368 911 A CA -0.300 51.646 52.037 -0.152 0.000 1.045 911 A CB -0.285 18.648 19.000 -0.111 0.000 1.129 911 A HN 1.029 nan 8.150 nan 0.000 0.540 912 L N 1.648 122.650 121.223 -0.368 0.000 2.141 912 L HA -0.061 4.277 4.340 -0.002 0.000 0.209 912 L C 0.004 176.493 176.870 -0.635 0.000 1.094 912 L CA 1.124 55.579 54.840 -0.642 0.000 0.763 912 L CB -0.374 41.008 42.059 -1.129 0.000 0.908 912 L HN 0.733 nan 8.230 nan 0.000 0.437 913 Y N -1.344 118.963 120.300 0.012 0.000 2.512 913 Y HA 0.649 5.198 4.550 -0.003 0.000 0.348 913 Y C -0.564 175.343 175.900 0.011 0.000 0.990 913 Y CA -1.092 57.031 58.100 0.037 0.000 1.033 913 Y CB 2.211 40.697 38.460 0.044 0.000 1.259 913 Y HN -0.274 nan 8.280 nan 0.000 0.461 914 L N 2.920 124.253 121.223 0.185 0.000 2.505 914 L HA 0.637 4.975 4.340 -0.002 0.000 0.259 914 L C -1.778 175.155 176.870 0.105 0.000 0.952 914 L CA -0.561 54.332 54.840 0.089 0.000 0.840 914 L CB 1.857 43.938 42.059 0.035 0.000 1.358 914 L HN 0.559 nan 8.230 nan 0.000 0.409 915 K N 2.096 122.541 120.400 0.075 0.000 2.466 915 K HA 0.785 5.104 4.320 -0.002 0.000 0.260 915 K C -1.344 175.324 176.600 0.113 0.000 1.011 915 K CA -0.851 55.501 56.287 0.109 0.000 0.871 915 K CB 2.241 34.816 32.500 0.125 0.000 1.404 915 K HN 0.608 nan 8.250 nan 0.000 0.450 916 T N 1.019 115.672 114.554 0.166 0.000 2.909 916 T HA 0.389 4.738 4.350 -0.002 0.000 0.299 916 T C -1.249 173.566 174.700 0.191 0.000 1.073 916 T CA -0.634 61.602 62.100 0.226 0.000 0.999 916 T CB 1.991 71.043 68.868 0.306 0.000 1.098 916 T HN 0.322 nan 8.240 nan 0.000 0.477 917 K N 1.071 121.591 120.400 0.200 0.000 2.376 917 K HA 0.628 4.947 4.320 -0.002 0.000 0.257 917 K C 1.462 178.129 176.600 0.112 0.000 0.939 917 K CA -0.281 56.086 56.287 0.133 0.000 0.809 917 K CB 0.717 33.300 32.500 0.139 0.000 1.121 917 K HN 0.603 nan 8.250 nan 0.000 0.425 918 G N 3.280 112.111 108.800 0.053 0.000 2.927 918 G HA2 -0.435 3.523 3.960 -0.002 0.000 0.229 918 G HA3 -0.435 3.523 3.960 -0.002 0.000 0.229 918 G C 0.688 175.602 174.900 0.023 0.000 1.102 918 G CA 1.767 46.880 45.100 0.022 0.000 0.742 918 G HN 0.803 nan 8.290 nan 0.000 0.652 919 D N -0.959 119.435 120.400 -0.011 0.000 2.228 919 D HA 0.147 4.785 4.640 -0.002 0.000 0.259 919 D C 0.879 177.339 176.300 0.267 0.000 1.249 919 D CA -0.333 53.602 54.000 -0.107 0.000 0.997 919 D CB -0.152 40.512 40.800 -0.226 0.000 1.151 919 D HN 0.195 nan 8.370 nan 0.000 0.536 920 F N -0.108 119.885 119.950 0.071 0.000 2.873 920 F HA 0.294 4.820 4.527 -0.002 0.000 0.289 920 F C 0.076 176.174 175.800 0.497 0.000 1.206 920 F CA -0.693 57.452 58.000 0.241 0.000 1.401 920 F CB -0.109 39.038 39.000 0.244 0.000 0.996 920 F HN -0.027 nan 8.300 nan 0.000 0.511 921 I N 1.044 121.947 120.570 0.554 0.000 2.648 921 I HA 0.455 4.623 4.170 -0.002 0.000 0.304 921 I C -0.891 175.439 176.117 0.355 0.000 1.009 921 I CA -1.137 60.395 61.300 0.388 0.000 1.114 921 I CB 2.433 40.583 38.000 0.250 0.000 1.293 921 I HN -0.021 nan 8.210 nan 0.000 0.449 922 L N 5.055 126.375 121.223 0.162 0.000 2.482 922 L HA 0.513 4.851 4.340 -0.002 0.000 0.263 922 L C -1.147 175.648 176.870 -0.125 0.000 0.957 922 L CA -0.437 54.408 54.840 0.009 0.000 0.836 922 L CB 2.246 44.218 42.059 -0.144 0.000 1.324 922 L HN 0.186 nan 8.230 nan 0.000 0.406 923 V N 3.054 122.888 119.914 -0.132 0.000 2.409 923 V HA 0.874 4.993 4.120 -0.002 0.000 0.290 923 V C 0.394 176.412 176.094 -0.125 0.000 1.017 923 V CA -0.301 61.878 62.300 -0.201 0.000 0.841 923 V CB 0.919 32.620 31.823 -0.202 0.000 1.003 923 V HN 0.826 nan 8.190 nan 0.000 0.426 924 G N 2.139 110.854 108.800 -0.142 0.000 2.887 924 G HA2 0.688 4.647 3.960 -0.002 0.000 0.277 924 G HA3 0.688 4.647 3.960 -0.002 0.000 0.277 924 G C -1.451 173.412 174.900 -0.062 0.000 1.346 924 G CA -0.290 44.744 45.100 -0.109 0.000 1.058 924 G HN 0.617 nan 8.290 nan 0.000 0.535 925 D N -0.679 119.688 120.400 -0.056 0.000 2.470 925 D HA 0.231 4.870 4.640 -0.002 0.000 0.233 925 D C -0.324 175.907 176.300 -0.116 0.000 1.372 925 D CA -0.509 53.471 54.000 -0.033 0.000 0.994 925 D CB 2.080 42.943 40.800 0.104 0.000 1.377 925 D HN 0.171 nan 8.370 nan 0.000 0.586 926 L N 3.423 124.556 121.223 -0.150 0.000 3.013 926 L HA 0.530 4.868 4.340 -0.002 0.000 0.181 926 L C 0.067 176.809 176.870 -0.214 0.000 1.369 926 L CA 0.666 55.401 54.840 -0.176 0.000 1.743 926 L CB -0.408 41.553 42.059 -0.165 0.000 1.790 926 L HN 0.391 nan 8.230 nan 0.000 0.899 927 M N 2.316 121.780 119.600 -0.227 0.000 2.852 927 M HA 0.382 4.860 4.480 -0.002 0.000 0.321 927 M C -0.443 175.652 176.300 -0.341 0.000 1.337 927 M CA -0.099 55.030 55.300 -0.284 0.000 1.406 927 M CB -0.331 32.138 32.600 -0.218 0.000 1.152 927 M HN 0.175 nan 8.290 nan 0.000 0.508 928 R N -0.914 119.324 120.500 -0.438 0.000 3.627 928 R HA -0.154 4.184 4.340 -0.002 0.000 0.281 928 R C -0.541 175.609 176.300 -0.250 0.000 1.140 928 R CA 0.834 56.652 56.100 -0.471 0.000 0.761 928 R CB -3.021 26.816 30.300 -0.771 0.000 1.181 928 R HN 0.777 nan 8.270 nan 0.000 0.472 929 S N -3.006 112.585 115.700 -0.181 0.000 2.588 929 S HA 0.800 5.268 4.470 -0.002 0.000 0.275 929 S C -0.163 174.389 174.600 -0.080 0.000 1.130 929 S CA -0.786 57.332 58.200 -0.137 0.000 0.855 929 S CB 3.357 66.430 63.200 -0.212 0.000 1.116 929 S HN -0.054 nan 8.310 nan 0.000 0.472 930 V N 1.743 121.631 119.914 -0.044 0.000 2.667 930 V HA 0.694 4.812 4.120 -0.002 0.000 0.308 930 V C -0.684 175.350 176.094 -0.101 0.000 1.048 930 V CA -0.693 61.587 62.300 -0.033 0.000 0.928 930 V CB 1.186 33.038 31.823 0.050 0.000 1.004 930 V HN 0.886 nan 8.190 nan 0.000 0.444 931 L N 4.346 125.479 121.223 -0.150 0.000 2.434 931 L HA 0.658 4.997 4.340 -0.002 0.000 0.260 931 L C -1.309 175.428 176.870 -0.222 0.000 0.983 931 L CA -0.682 54.055 54.840 -0.172 0.000 0.820 931 L CB 2.202 44.161 42.059 -0.165 0.000 1.361 931 L HN 0.458 nan 8.230 nan 0.000 0.410 932 L N 3.104 124.213 121.223 -0.190 0.000 2.343 932 L HA 0.767 5.106 4.340 -0.002 0.000 0.278 932 L C -1.587 175.239 176.870 -0.074 0.000 0.996 932 L CA -0.092 54.626 54.840 -0.203 0.000 0.831 932 L CB 1.481 43.421 42.059 -0.199 0.000 1.232 932 L HN 0.453 nan 8.230 nan 0.000 0.413 933 L N 4.919 126.116 121.223 -0.044 0.000 2.422 933 L HA 0.953 5.291 4.340 -0.002 0.000 0.264 933 L C -0.549 176.445 176.870 0.206 0.000 0.984 933 L CA -0.305 54.566 54.840 0.052 0.000 0.819 933 L CB 2.162 44.195 42.059 -0.043 0.000 1.330 933 L HN 0.715 nan 8.230 nan 0.000 0.410 934 A N 1.264 124.261 122.820 0.296 0.000 2.386 934 A HA 0.592 4.911 4.320 -0.002 0.000 0.311 934 A C -1.656 176.186 177.584 0.431 0.000 1.068 934 A CA -0.505 51.774 52.037 0.404 0.000 0.743 934 A CB 0.863 20.034 19.000 0.285 0.000 1.258 934 A HN 0.592 nan 8.150 nan 0.000 0.429 935 Y N 2.680 123.197 120.300 0.362 0.000 2.624 935 Y HA 0.253 4.802 4.550 -0.002 0.000 0.354 935 Y C 0.156 176.038 175.900 -0.030 0.000 1.051 935 Y CA -0.135 57.933 58.100 -0.054 0.000 1.377 935 Y CB 0.193 38.662 38.460 0.015 0.000 1.168 935 Y HN 0.509 nan 8.280 nan 0.000 0.525 936 K N 8.927 129.080 120.400 -0.411 0.000 2.262 936 K HA 0.140 4.459 4.320 -0.002 0.000 0.288 936 K C -1.918 174.251 176.600 -0.718 0.000 1.090 936 K CA -1.505 54.522 56.287 -0.434 0.000 0.918 936 K CB 0.987 33.365 32.500 -0.204 0.000 1.139 936 K HN 0.491 nan 8.250 nan 0.000 0.462 937 P HA -0.193 nan 4.420 nan 0.000 0.224 937 P C 1.026 178.147 177.300 -0.297 0.000 1.142 937 P CA 1.046 63.782 63.100 -0.607 0.000 0.778 937 P CB 0.185 31.659 31.700 -0.378 0.000 0.764 938 M N 0.087 119.547 119.600 -0.232 0.000 2.472 938 M HA -0.154 4.325 4.480 -0.002 0.000 0.267 938 M C 1.570 177.779 176.300 -0.151 0.000 1.126 938 M CA 1.838 57.056 55.300 -0.138 0.000 1.082 938 M CB -0.523 32.017 32.600 -0.100 0.000 1.177 938 M HN -0.274 nan 8.290 nan 0.000 0.485 939 E N 0.065 120.171 120.200 -0.158 0.000 2.448 939 E HA -0.085 4.264 4.350 -0.002 0.000 0.203 939 E C 0.974 177.353 176.600 -0.368 0.000 1.046 939 E CA 0.709 57.010 56.400 -0.165 0.000 0.871 939 E CB -0.466 29.158 29.700 -0.127 0.000 0.790 939 E HN 0.937 nan 8.360 nan 0.000 0.545 940 G N 0.687 109.252 108.800 -0.391 0.000 2.175 940 G HA2 -0.313 3.645 3.960 -0.002 0.000 0.265 940 G HA3 -0.313 3.645 3.960 -0.002 0.000 0.265 940 G C 0.217 174.880 174.900 -0.394 0.000 0.979 940 G CA 0.530 45.362 45.100 -0.447 0.000 0.663 940 G HN 0.220 nan 8.290 nan 0.000 0.533 941 N N -0.893 117.598 118.700 -0.349 0.000 2.681 941 N HA 0.714 5.453 4.740 -0.002 0.000 0.311 941 N C -0.090 175.224 175.510 -0.326 0.000 1.303 941 N CA -0.344 52.559 53.050 -0.245 0.000 0.926 941 N CB 0.445 38.842 38.487 -0.151 0.000 1.136 941 N HN 0.032 nan 8.380 nan 0.000 0.592 942 F N 0.472 120.420 119.950 -0.003 0.000 2.411 942 F HA 0.333 4.859 4.527 -0.002 0.000 0.324 942 F C 0.934 176.717 175.800 -0.028 0.000 1.086 942 F CA -0.505 57.506 58.000 0.019 0.000 1.028 942 F CB 0.810 39.798 39.000 -0.020 0.000 1.284 942 F HN 0.184 nan 8.300 nan 0.000 0.501 943 E N 0.672 120.991 120.200 0.198 0.000 2.199 943 E HA 0.136 4.484 4.350 -0.002 0.000 0.269 943 E C -1.262 175.391 176.600 0.088 0.000 0.899 943 E CA -0.586 55.869 56.400 0.092 0.000 0.772 943 E CB 1.482 31.214 29.700 0.052 0.000 1.155 943 E HN 0.623 nan 8.360 nan 0.000 0.408 944 E N 5.341 125.563 120.200 0.038 0.000 1.924 944 E HA 0.102 4.451 4.350 -0.002 0.000 0.261 944 E C 0.867 177.481 176.600 0.023 0.000 1.088 944 E CA -0.103 56.304 56.400 0.010 0.000 0.909 944 E CB 0.201 29.883 29.700 -0.029 0.000 1.112 944 E HN 0.641 nan 8.360 nan 0.000 0.425 945 I N 2.593 123.189 120.570 0.043 0.000 2.208 945 I HA -0.190 3.978 4.170 -0.002 0.000 0.245 945 I C 0.929 177.079 176.117 0.055 0.000 1.097 945 I CA 1.059 62.392 61.300 0.056 0.000 1.363 945 I CB -0.015 38.031 38.000 0.076 0.000 1.051 945 I HN 0.439 nan 8.210 nan 0.000 0.413 946 A N 0.084 122.921 122.820 0.029 0.000 2.590 946 A HA 0.684 5.003 4.320 -0.002 0.000 0.294 946 A C -0.819 176.763 177.584 -0.003 0.000 1.046 946 A CA -0.801 51.265 52.037 0.048 0.000 0.684 946 A CB 1.113 20.172 19.000 0.099 0.000 1.279 946 A HN 0.229 nan 8.150 nan 0.000 0.415 947 R N 0.400 120.908 120.500 0.013 0.000 2.817 947 R HA 0.759 5.098 4.340 -0.002 0.000 0.268 947 R C -1.834 174.512 176.300 0.077 0.000 1.027 947 R CA -0.680 55.387 56.100 -0.056 0.000 0.928 947 R CB 1.546 31.683 30.300 -0.271 0.000 1.228 947 R HN 0.508 nan 8.270 nan 0.000 0.469 948 D N 1.180 121.603 120.400 0.039 0.000 2.443 948 D HA 0.270 4.909 4.640 -0.002 0.000 0.221 948 D C -0.659 175.677 176.300 0.059 0.000 1.097 948 D CA -0.507 53.567 54.000 0.123 0.000 0.865 948 D CB 0.327 41.192 40.800 0.107 0.000 1.034 948 D HN 0.257 nan 8.370 nan 0.000 0.511 949 F N 2.211 122.090 119.950 -0.118 0.000 2.313 949 F HA 0.150 4.676 4.527 -0.003 0.000 0.288 949 F C 1.148 176.901 175.800 -0.078 0.000 1.274 949 F CA -0.423 57.512 58.000 -0.107 0.000 1.241 949 F CB -0.372 38.572 39.000 -0.094 0.000 1.409 949 F HN 0.537 nan 8.300 nan 0.000 0.511 950 N N -1.650 117.137 118.700 0.145 0.000 3.541 950 N HA -0.162 4.577 4.740 -0.002 0.000 0.292 950 N C -3.088 172.400 175.510 -0.037 0.000 1.964 950 N CA -0.339 52.730 53.050 0.032 0.000 2.344 950 N CB -1.811 36.676 38.487 -0.000 0.000 0.672 950 N HN 0.158 nan 8.380 nan 0.000 0.620 951 P HA 0.146 nan 4.420 nan 0.000 0.276 951 P C -0.428 176.813 177.300 -0.097 0.000 1.286 951 P CA 0.265 63.309 63.100 -0.093 0.000 0.883 951 P CB 0.284 31.970 31.700 -0.025 0.000 1.125 952 N N -2.167 116.468 118.700 -0.108 0.000 6.076 952 N HA -0.000 4.738 4.740 -0.002 0.000 0.131 952 N C -2.051 173.448 175.510 -0.020 0.000 1.042 952 N CA -0.297 52.739 53.050 -0.024 0.000 1.110 952 N CB -0.577 37.856 38.487 -0.091 0.000 1.487 952 N HN 0.276 nan 8.380 nan 0.000 1.149 953 W N 4.066 125.378 121.300 0.019 0.000 2.481 953 W HA 0.378 5.037 4.660 -0.002 0.000 0.320 953 W C 0.776 177.333 176.519 0.063 0.000 1.209 953 W CA -0.311 57.060 57.345 0.044 0.000 1.400 953 W CB 0.324 29.800 29.460 0.027 0.000 1.361 953 W HN 0.236 nan 8.180 nan 0.000 0.456 954 M N 2.327 122.072 119.600 0.242 0.000 2.247 954 M HA 0.166 4.645 4.480 -0.002 0.000 0.326 954 M C 1.212 177.566 176.300 0.089 0.000 1.134 954 M CA 0.107 55.496 55.300 0.148 0.000 1.136 954 M CB 1.154 33.868 32.600 0.191 0.000 1.454 954 M HN 0.533 nan 8.290 nan 0.000 0.467 955 S N -0.947 114.579 115.700 -0.290 0.000 2.648 955 S HA 0.625 5.093 4.470 -0.002 0.000 0.270 955 S C 0.140 174.263 174.600 -0.796 0.000 1.080 955 S CA 0.205 58.154 58.200 -0.419 0.000 1.159 955 S CB 0.582 63.560 63.200 -0.369 0.000 1.091 955 S HN 0.899 nan 8.310 nan 0.000 0.605 956 A N 0.079 122.471 122.820 -0.714 0.000 2.586 956 A HA 0.811 5.129 4.320 -0.002 0.000 0.290 956 A C -1.723 175.811 177.584 -0.083 0.000 1.086 956 A CA -0.607 51.177 52.037 -0.421 0.000 0.665 956 A CB 1.443 20.224 19.000 -0.365 0.000 1.279 956 A HN 0.860 nan 8.150 nan 0.000 0.423 957 V N 0.228 120.260 119.914 0.197 0.000 3.023 957 V HA 0.729 4.847 4.120 -0.002 0.000 0.294 957 V C -1.645 174.443 176.094 -0.011 0.000 1.324 957 V CA -0.181 62.133 62.300 0.023 0.000 0.979 957 V CB 2.211 34.034 31.823 -0.000 0.000 1.093 957 V HN 1.247 nan 8.190 nan 0.000 0.434 958 E N 3.291 123.342 120.200 -0.249 0.000 2.363 958 E HA 0.566 4.915 4.350 -0.002 0.000 0.281 958 E C -1.650 174.916 176.600 -0.058 0.000 0.953 958 E CA -0.463 55.810 56.400 -0.211 0.000 0.778 958 E CB 1.870 31.233 29.700 -0.563 0.000 1.220 958 E HN 0.557 nan 8.360 nan 0.000 0.431 959 I N 5.810 126.457 120.570 0.128 0.000 2.337 959 I HA 0.158 4.327 4.170 -0.002 0.000 0.291 959 I C 1.115 177.352 176.117 0.200 0.000 1.046 959 I CA -0.106 61.347 61.300 0.254 0.000 1.324 959 I CB 0.598 38.775 38.000 0.295 0.000 1.409 959 I HN 0.571 nan 8.210 nan 0.000 0.494 960 L N 4.706 125.966 121.223 0.062 0.000 2.068 960 L HA 0.040 4.379 4.340 -0.002 0.000 0.204 960 L C 0.283 177.170 176.870 0.028 0.000 1.076 960 L CA 0.873 55.728 54.840 0.026 0.000 0.753 960 L CB -0.375 41.625 42.059 -0.098 0.000 0.910 960 L HN 0.766 nan 8.230 nan 0.000 0.439 961 D N -4.412 115.949 120.400 -0.065 0.000 2.779 961 D HA 0.042 4.681 4.640 -0.002 0.000 0.331 961 D C -0.040 176.196 176.300 -0.106 0.000 1.331 961 D CA -0.611 53.348 54.000 -0.068 0.000 0.866 961 D CB 0.278 41.023 40.800 -0.092 0.000 1.409 961 D HN -0.291 nan 8.370 nan 0.000 0.486 962 D N -0.921 119.444 120.400 -0.059 0.000 2.292 962 D HA -0.103 4.536 4.640 -0.002 0.000 0.205 962 D C 0.283 176.538 176.300 -0.075 0.000 0.994 962 D CA 1.441 55.435 54.000 -0.010 0.000 0.897 962 D CB 0.083 40.871 40.800 -0.020 0.000 0.907 962 D HN 0.399 nan 8.370 nan 0.000 0.467 963 D N -1.382 118.830 120.400 -0.314 0.000 2.514 963 D HA 0.101 4.740 4.640 -0.002 0.000 0.225 963 D C -0.098 175.688 176.300 -0.857 0.000 1.159 963 D CA -0.119 53.613 54.000 -0.448 0.000 0.823 963 D CB 0.644 41.303 40.800 -0.235 0.000 1.097 963 D HN 0.171 nan 8.370 nan 0.000 0.519 964 N N 0.586 118.674 118.700 -1.020 0.000 2.258 964 N HA 0.422 5.160 4.740 -0.002 0.000 0.299 964 N C -1.208 173.747 175.510 -0.925 0.000 1.047 964 N CA -0.283 52.247 53.050 -0.867 0.000 0.814 964 N CB 2.135 40.372 38.487 -0.417 0.000 1.413 964 N HN -0.164 nan 8.380 nan 0.000 0.478 965 F N 1.252 121.151 119.950 -0.084 0.000 2.561 965 F HA 0.423 4.948 4.527 -0.003 0.000 0.313 965 F C -0.155 175.527 175.800 -0.197 0.000 1.126 965 F CA -0.906 57.025 58.000 -0.115 0.000 0.918 965 F CB 2.202 41.163 39.000 -0.066 0.000 1.199 965 F HN 0.088 nan 8.300 nan 0.000 0.444 966 L N 2.453 123.596 121.223 -0.133 0.000 2.309 966 L HA 0.866 5.204 4.340 -0.002 0.000 0.282 966 L C -0.097 176.465 176.870 -0.513 0.000 1.036 966 L CA -0.290 54.334 54.840 -0.359 0.000 0.806 966 L CB 1.554 43.264 42.059 -0.582 0.000 1.220 966 L HN 0.828 nan 8.230 nan 0.000 0.429 967 G N 2.540 110.871 108.800 -0.782 0.000 2.571 967 G HA2 0.741 4.699 3.960 -0.002 0.000 0.304 967 G HA3 0.741 4.699 3.960 -0.002 0.000 0.304 967 G C -1.752 172.760 174.900 -0.646 0.000 1.314 967 G CA -0.424 44.074 45.100 -1.003 0.000 0.975 967 G HN 0.795 nan 8.290 nan 0.000 0.485 968 A N 1.216 123.901 122.820 -0.226 0.000 2.343 968 A HA 0.810 5.129 4.320 -0.002 0.000 0.308 968 A C -0.306 177.203 177.584 -0.125 0.000 1.092 968 A CA -0.608 51.347 52.037 -0.137 0.000 0.751 968 A CB 1.890 20.766 19.000 -0.207 0.000 1.203 968 A HN 0.781 nan 8.150 nan 0.000 0.452 969 E N 1.895 122.035 120.200 -0.100 0.000 2.378 969 E HA 0.214 4.562 4.350 -0.002 0.000 0.265 969 E C -0.827 175.585 176.600 -0.313 0.000 0.932 969 E CA -0.647 55.698 56.400 -0.091 0.000 0.795 969 E CB 1.071 30.855 29.700 0.139 0.000 1.296 969 E HN 0.551 nan 8.360 nan 0.000 0.438 970 N N 0.411 118.991 118.700 -0.201 0.000 2.362 970 N HA 0.103 4.842 4.740 -0.002 0.000 0.211 970 N C 0.261 175.503 175.510 -0.446 0.000 1.170 970 N CA 0.415 53.341 53.050 -0.207 0.000 0.828 970 N CB 0.241 38.834 38.487 0.177 0.000 1.034 970 N HN 0.408 nan 8.380 nan 0.000 0.475 971 A N -0.396 122.110 122.820 -0.523 0.000 2.535 971 A HA 0.411 4.729 4.320 -0.002 0.000 0.273 971 A C -0.112 177.046 177.584 -0.711 0.000 1.267 971 A CA -0.737 50.849 52.037 -0.751 0.000 0.940 971 A CB -0.737 17.974 19.000 -0.482 0.000 1.101 971 A HN 0.280 nan 8.150 nan 0.000 0.521 972 F N -1.235 118.598 119.950 -0.196 0.000 2.926 972 F HA -0.225 4.300 4.527 -0.002 0.000 0.288 972 F C 0.187 175.677 175.800 -0.517 0.000 0.756 972 F CA 0.206 58.011 58.000 -0.325 0.000 1.292 972 F CB -2.220 36.627 39.000 -0.255 0.000 1.482 972 F HN 0.364 nan 8.300 nan 0.000 0.400 973 N N 1.555 120.082 118.700 -0.289 0.000 2.443 973 N HA 0.824 5.562 4.740 -0.002 0.000 0.293 973 N C -0.358 175.151 175.510 -0.001 0.000 1.159 973 N CA -0.564 52.350 53.050 -0.226 0.000 0.904 973 N CB 2.321 40.505 38.487 -0.506 0.000 1.214 973 N HN 0.090 nan 8.380 nan 0.000 0.513 974 L N 0.799 122.068 121.223 0.077 0.000 2.319 974 L HA 0.674 5.013 4.340 -0.002 0.000 0.267 974 L C -0.788 176.285 176.870 0.338 0.000 1.011 974 L CA -1.004 53.873 54.840 0.062 0.000 0.818 974 L CB 1.238 43.162 42.059 -0.225 0.000 1.316 974 L HN 0.588 nan 8.230 nan 0.000 0.432 975 F N -0.544 119.497 119.950 0.152 0.000 2.693 975 F HA 0.809 5.334 4.527 -0.003 0.000 0.309 975 F C -1.592 174.313 175.800 0.174 0.000 1.129 975 F CA -1.057 57.057 58.000 0.191 0.000 0.948 975 F CB 1.460 40.527 39.000 0.111 0.000 1.315 975 F HN 0.008 nan 8.300 nan 0.000 0.447 976 V N 1.641 121.762 119.914 0.346 0.000 2.525 976 V HA 0.455 4.574 4.120 -0.002 0.000 0.299 976 V C -0.710 175.490 176.094 0.176 0.000 1.034 976 V CA -0.696 61.688 62.300 0.140 0.000 0.863 976 V CB 1.495 33.323 31.823 0.008 0.000 0.999 976 V HN 1.134 nan 8.190 nan 0.000 0.423 977 C N 3.901 123.323 119.300 0.204 0.000 2.365 977 C HA 0.766 5.225 4.460 -0.002 0.000 0.349 977 C C 0.042 175.102 174.990 0.118 0.000 1.191 977 C CA -0.375 58.776 59.018 0.221 0.000 2.114 977 C CB 1.296 29.240 27.740 0.340 0.000 2.367 977 C HN 0.927 nan 8.230 nan 0.000 0.530 978 Q N 0.935 120.781 119.800 0.076 0.000 2.377 978 Q HA 0.282 4.620 4.340 -0.002 0.000 0.279 978 Q C -1.336 174.691 176.000 0.046 0.000 1.049 978 Q CA -0.595 55.178 55.803 -0.050 0.000 0.825 978 Q CB 1.414 30.078 28.738 -0.124 0.000 1.401 978 Q HN 0.638 nan 8.270 nan 0.000 0.404 979 K N 2.537 122.959 120.400 0.037 0.000 2.378 979 K HA 0.036 4.355 4.320 -0.002 0.000 0.288 979 K C -0.534 176.075 176.600 0.016 0.000 1.057 979 K CA -0.064 56.267 56.287 0.073 0.000 0.971 979 K CB 0.343 32.886 32.500 0.073 0.000 0.975 979 K HN 0.525 nan 8.250 nan 0.000 0.475 980 D N 1.566 121.982 120.400 0.027 0.000 2.389 980 D HA -0.035 4.603 4.640 -0.002 0.000 0.247 980 D C -0.689 175.609 176.300 -0.004 0.000 1.128 980 D CA 0.034 54.033 54.000 -0.001 0.000 0.884 980 D CB 0.744 41.546 40.800 0.003 0.000 1.194 980 D HN 0.171 nan 8.370 nan 0.000 0.441 981 S N 2.463 118.150 115.700 -0.020 0.000 2.921 981 S HA 0.624 5.093 4.470 -0.002 0.000 0.244 981 S C -0.257 174.333 174.600 -0.017 0.000 1.291 981 S CA -0.741 57.450 58.200 -0.016 0.000 1.010 981 S CB 0.449 63.635 63.200 -0.022 0.000 1.255 981 S HN 0.630 nan 8.310 nan 0.000 0.492 982 A N 1.908 124.721 122.820 -0.012 0.000 2.384 982 A HA 0.947 5.265 4.320 -0.002 0.000 0.312 982 A C 0.387 177.963 177.584 -0.012 0.000 1.113 982 A CA -0.773 51.254 52.037 -0.016 0.000 0.779 982 A CB 0.764 19.750 19.000 -0.024 0.000 1.307 982 A HN 0.736 nan 8.150 nan 0.000 0.436 983 A N 0.398 123.209 122.820 -0.015 0.000 2.297 983 A HA 0.491 4.809 4.320 -0.002 0.000 0.279 983 A C 1.262 178.839 177.584 -0.012 0.000 1.219 983 A CA 1.060 53.089 52.037 -0.012 0.000 0.827 983 A CB -0.909 18.082 19.000 -0.014 0.000 1.129 983 A HN 2.740 nan 8.150 nan 0.000 0.511 984 T N -2.686 111.863 114.554 -0.009 0.000 3.704 984 T HA -0.189 4.160 4.350 -0.002 0.000 0.388 984 T C 0.412 175.112 174.700 -0.000 0.000 0.763 984 T CA 1.326 63.421 62.100 -0.008 0.000 2.005 984 T CB -2.886 65.972 68.868 -0.016 0.000 1.752 984 T HN 2.074 nan 8.240 nan 0.000 0.747 985 T N -1.687 112.870 114.554 0.005 0.000 3.699 985 T HA 0.153 4.502 4.350 -0.002 0.000 0.257 985 T C 0.715 175.429 174.700 0.023 0.000 1.155 985 T CA 0.608 62.716 62.100 0.013 0.000 0.987 985 T CB -0.096 68.779 68.868 0.012 0.000 1.028 985 T HN 0.786 nan 8.240 nan 0.000 0.583 986 D N 0.944 121.358 120.400 0.023 0.000 3.305 986 D HA 0.117 4.755 4.640 -0.002 0.000 0.221 986 D C 1.701 178.028 176.300 0.044 0.000 1.187 986 D CA -0.338 53.681 54.000 0.030 0.000 1.276 986 D CB -0.046 40.766 40.800 0.021 0.000 0.924 986 D HN 0.023 nan 8.370 nan 0.000 0.189 987 E N 0.620 120.843 120.200 0.038 0.000 2.110 987 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 987 E C 1.830 178.454 176.600 0.041 0.000 0.988 987 E CA 1.327 57.761 56.400 0.057 0.000 0.804 987 E CB -0.157 29.543 29.700 0.001 0.000 0.745 987 E HN 0.398 nan 8.360 nan 0.000 0.458 988 E N -0.445 119.745 120.200 -0.016 0.000 2.160 988 E HA -0.219 4.129 4.350 -0.002 0.000 0.195 988 E C 1.924 178.541 176.600 0.029 0.000 0.991 988 E CA 1.115 57.491 56.400 -0.040 0.000 0.810 988 E CB -0.057 29.617 29.700 -0.043 0.000 0.742 988 E HN -0.028 nan 8.360 nan 0.000 0.466 989 R N 1.077 121.608 120.500 0.051 0.000 2.276 989 R HA -0.062 4.277 4.340 -0.002 0.000 0.196 989 R C 1.821 178.187 176.300 0.111 0.000 0.961 989 R CA 0.860 57.001 56.100 0.068 0.000 1.024 989 R CB -0.066 30.263 30.300 0.047 0.000 0.940 989 R HN 0.014 nan 8.270 nan 0.000 0.480 990 Q N -0.495 119.396 119.800 0.151 0.000 2.331 990 Q HA 0.010 4.348 4.340 -0.002 0.000 0.203 990 Q C -0.383 175.785 176.000 0.279 0.000 0.944 990 Q CA 1.122 57.045 55.803 0.201 0.000 0.892 990 Q CB 0.179 29.050 28.738 0.223 0.000 0.983 990 Q HN 0.452 nan 8.270 nan 0.000 0.482 991 H N 1.078 120.209 119.070 0.103 0.000 2.623 991 H HA 0.249 4.804 4.556 -0.003 0.000 0.299 991 H C -0.847 174.542 175.328 0.102 0.000 1.052 991 H CA -1.044 55.077 56.048 0.120 0.000 1.231 991 H CB 0.688 30.347 29.762 -0.172 0.000 1.389 991 H HN 0.077 nan 8.280 nan 0.000 0.469 992 L N 2.007 123.363 121.223 0.220 0.000 2.361 992 L HA 0.207 4.546 4.340 -0.002 0.000 0.278 992 L C 0.387 177.344 176.870 0.146 0.000 1.113 992 L CA -0.471 54.472 54.840 0.173 0.000 0.849 992 L CB -0.127 42.054 42.059 0.204 0.000 1.155 992 L HN 0.369 nan 8.230 nan 0.000 0.452 993 Q N 1.884 121.740 119.800 0.093 0.000 2.394 993 Q HA 0.252 4.590 4.340 -0.002 0.000 0.248 993 Q C -0.347 175.685 176.000 0.054 0.000 0.992 993 Q CA 0.169 56.005 55.803 0.054 0.000 0.888 993 Q CB 0.634 29.377 28.738 0.009 0.000 1.257 993 Q HN 0.597 nan 8.270 nan 0.000 0.462 994 E N 1.131 121.350 120.200 0.031 0.000 1.941 994 E HA 0.069 4.418 4.350 -0.002 0.000 0.275 994 E C 0.332 176.933 176.600 0.003 0.000 1.113 994 E CA -0.112 56.312 56.400 0.039 0.000 0.878 994 E CB 0.410 30.095 29.700 -0.025 0.000 1.070 994 E HN 0.501 nan 8.360 nan 0.000 0.399 995 V N 0.641 120.550 119.914 -0.007 0.000 3.623 995 V HA 0.296 4.414 4.120 -0.002 0.000 0.271 995 V C 0.656 176.720 176.094 -0.051 0.000 1.248 995 V CA 0.447 62.707 62.300 -0.066 0.000 1.156 995 V CB 0.035 31.773 31.823 -0.140 0.000 0.870 995 V HN 0.461 nan 8.190 nan 0.000 0.453 996 G N -0.093 108.735 108.800 0.046 0.000 2.742 996 G HA2 0.707 4.666 3.960 -0.002 0.000 0.296 996 G HA3 0.707 4.666 3.960 -0.002 0.000 0.296 996 G C -1.681 173.432 174.900 0.355 0.000 1.436 996 G CA -0.762 44.436 45.100 0.163 0.000 0.928 996 G HN 0.249 nan 8.290 nan 0.000 0.520 997 L N 0.271 121.766 121.223 0.454 0.000 2.540 997 L HA 0.846 5.184 4.340 -0.002 0.000 0.256 997 L C -1.332 175.803 176.870 0.442 0.000 1.001 997 L CA -0.911 54.140 54.840 0.351 0.000 0.843 997 L CB 2.861 44.929 42.059 0.016 0.000 1.436 997 L HN 0.717 nan 8.230 nan 0.000 0.410 998 F N 0.592 120.635 119.950 0.155 0.000 2.689 998 F HA 0.256 4.782 4.527 -0.002 0.000 0.314 998 F C -1.560 174.145 175.800 -0.158 0.000 1.061 998 F CA -0.578 57.353 58.000 -0.115 0.000 1.013 998 F CB 0.844 39.498 39.000 -0.578 0.000 1.256 998 F HN 0.596 nan 8.300 nan 0.000 0.480 999 H N 6.970 125.578 119.070 -0.770 0.000 2.640 999 H HA 0.430 4.984 4.556 -0.002 0.000 0.297 999 H C 0.022 174.786 175.328 -0.941 0.000 1.073 999 H CA -0.209 55.417 56.048 -0.703 0.000 1.305 999 H CB 1.260 30.596 29.762 -0.711 0.000 1.404 999 H HN 0.803 nan 8.280 nan 0.000 0.459 1000 L N 3.810 124.546 121.223 -0.812 0.000 2.034 1000 L HA 0.122 4.461 4.340 -0.002 0.000 0.203 1000 L C 1.433 178.039 176.870 -0.441 0.000 1.074 1000 L CA 1.642 56.248 54.840 -0.391 0.000 0.748 1000 L CB -0.276 41.673 42.059 -0.184 0.000 0.905 1000 L HN 1.037 nan 8.230 nan 0.000 0.439 1001 G N -1.058 107.419 108.800 -0.538 0.000 2.211 1001 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.201 1001 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.201 1001 G C 0.071 174.905 174.900 -0.110 0.000 0.997 1001 G CA -0.186 44.834 45.100 -0.133 0.000 0.652 1001 G HN 0.347 nan 8.290 nan 0.000 0.500 1002 E N -0.901 119.254 120.200 -0.074 0.000 2.316 1002 E HA 0.705 5.053 4.350 -0.002 0.000 0.258 1002 E C -1.324 175.360 176.600 0.140 0.000 0.952 1002 E CA -1.001 55.404 56.400 0.007 0.000 0.818 1002 E CB 1.633 31.398 29.700 0.108 0.000 1.260 1002 E HN 0.179 nan 8.360 nan 0.000 0.416 1003 F N 1.277 121.264 119.950 0.061 0.000 2.382 1003 F HA 0.275 4.801 4.527 -0.002 0.000 0.361 1003 F C -0.673 175.138 175.800 0.019 0.000 1.109 1003 F CA -0.736 57.350 58.000 0.143 0.000 1.031 1003 F CB 0.817 39.938 39.000 0.202 0.000 1.234 1003 F HN 0.026 nan 8.300 nan 0.000 0.445 1004 V N 6.826 126.581 119.914 -0.264 0.000 2.488 1004 V HA 0.098 4.216 4.120 -0.002 0.000 0.277 1004 V C 0.435 176.421 176.094 -0.180 0.000 1.046 1004 V CA -0.102 62.047 62.300 -0.253 0.000 0.986 1004 V CB 1.026 32.512 31.823 -0.562 0.000 0.989 1004 V HN 0.750 nan 8.190 nan 0.000 0.475 1005 N N 2.726 121.407 118.700 -0.032 0.000 2.250 1005 N HA 0.184 4.922 4.740 -0.002 0.000 0.190 1005 N C -0.278 175.193 175.510 -0.065 0.000 1.116 1005 N CA 0.484 53.552 53.050 0.030 0.000 0.881 1005 N CB 1.668 40.226 38.487 0.118 0.000 1.006 1005 N HN 0.507 nan 8.380 nan 0.000 0.491 1006 V N 0.042 119.849 119.914 -0.179 0.000 3.023 1006 V HA 0.450 4.568 4.120 -0.002 0.000 0.294 1006 V C -1.941 174.037 176.094 -0.193 0.000 1.324 1006 V CA -0.842 61.398 62.300 -0.101 0.000 0.979 1006 V CB 1.352 33.187 31.823 0.020 0.000 1.093 1006 V HN -0.097 nan 8.190 nan 0.000 0.434 1007 F N 5.099 125.085 119.950 0.060 0.000 2.507 1007 F HA 0.888 5.414 4.527 -0.002 0.000 0.327 1007 F C 0.195 176.024 175.800 0.048 0.000 1.068 1007 F CA -0.028 58.006 58.000 0.056 0.000 0.965 1007 F CB 1.984 40.977 39.000 -0.011 0.000 1.192 1007 F HN 0.965 nan 8.300 nan 0.000 0.476 1008 C N 0.918 120.364 119.300 0.244 0.000 3.046 1008 C HA 0.365 4.824 4.460 -0.002 0.000 0.388 1008 C C -1.028 174.009 174.990 0.078 0.000 1.041 1008 C CA -0.996 58.114 59.018 0.153 0.000 1.241 1008 C CB 0.373 28.214 27.740 0.168 0.000 1.638 1008 C HN 0.846 nan 8.230 nan 0.000 0.539 1009 H N 1.782 120.932 119.070 0.134 0.000 2.964 1009 H HA 0.515 5.070 4.556 -0.002 0.000 0.328 1009 H C 0.841 176.225 175.328 0.093 0.000 1.030 1009 H CA 2.389 58.498 56.048 0.102 0.000 1.445 1009 H CB 1.106 30.918 29.762 0.082 0.000 1.449 1009 H HN 1.417 nan 8.280 nan 0.000 0.581 1010 G N 0.923 109.827 108.800 0.174 0.000 2.350 1010 G HA2 0.235 4.193 3.960 -0.002 0.000 0.304 1010 G HA3 0.235 4.193 3.960 -0.002 0.000 0.304 1010 G C -1.427 173.527 174.900 0.090 0.000 1.421 1010 G CA -0.290 44.884 45.100 0.123 0.000 0.934 1010 G HN 0.641 nan 8.290 nan 0.000 0.632 1011 S N -1.545 114.198 115.700 0.072 0.000 2.627 1011 S HA 0.729 5.198 4.470 -0.002 0.000 0.283 1011 S C 0.336 174.967 174.600 0.052 0.000 1.127 1011 S CA -0.701 57.535 58.200 0.060 0.000 0.863 1011 S CB 1.603 64.834 63.200 0.051 0.000 1.121 1011 S HN 0.821 nan 8.310 nan 0.000 0.479 1012 L N 2.272 123.526 121.223 0.052 0.000 2.693 1012 L HA 0.347 4.685 4.340 -0.002 0.000 0.235 1012 L C 0.095 176.990 176.870 0.041 0.000 1.127 1012 L CA -0.113 54.755 54.840 0.047 0.000 0.914 1012 L CB 0.843 42.930 42.059 0.047 0.000 1.193 1012 L HN 0.564 nan 8.230 nan 0.000 0.502 1013 V N -2.582 117.354 119.914 0.036 0.000 3.103 1013 V HA 0.762 4.880 4.120 -0.002 0.000 0.318 1013 V C -0.429 175.672 176.094 0.012 0.000 1.114 1013 V CA -0.899 61.413 62.300 0.020 0.000 1.020 1013 V CB 2.063 33.891 31.823 0.008 0.000 1.085 1013 V HN 0.158 nan 8.190 nan 0.000 0.446 1014 M N 2.345 121.945 119.600 0.000 0.000 2.457 1014 M HA 0.935 5.413 4.480 -0.002 0.000 0.300 1014 M C -0.949 175.346 176.300 -0.009 0.000 1.141 1014 M CA 0.060 55.359 55.300 -0.001 0.000 0.901 1014 M CB 1.757 34.359 32.600 0.004 0.000 1.687 1014 M HN 1.235 nan 8.290 nan 0.000 0.449 1024 T N -0.991 113.289 114.554 -0.457 0.000 5.190 1024 T HA 0.331 4.680 4.350 -0.002 0.000 0.444 1024 T C 0.164 174.745 174.700 -0.199 0.000 0.994 1024 T CA 0.847 62.728 62.100 -0.365 0.000 0.953 1024 T CB 0.384 69.044 68.868 -0.347 0.000 1.333 1024 T HN 0.632 nan 8.240 nan 0.000 0.430 1025 Q N -0.817 118.901 119.800 -0.137 0.000 2.913 1025 Q HA 0.459 4.797 4.340 -0.002 0.000 0.213 1025 Q C -0.596 175.380 176.000 -0.040 0.000 0.981 1025 Q CA 0.838 56.594 55.803 -0.077 0.000 1.133 1025 Q CB 0.523 29.221 28.738 -0.068 0.000 1.839 1025 Q HN 1.936 nan 8.270 nan 0.000 0.540 1026 G N 1.675 110.468 108.800 -0.012 0.000 2.758 1026 G HA2 0.322 4.280 3.960 -0.002 0.000 0.686 1026 G HA3 0.322 4.280 3.960 -0.002 0.000 0.686 1026 G C -0.799 174.127 174.900 0.044 0.000 1.389 1026 G CA -0.225 44.892 45.100 0.029 0.000 0.845 1026 G HN 1.692 nan 8.290 nan 0.000 0.572 1027 S N -1.091 114.662 115.700 0.089 0.000 2.584 1027 S HA 0.644 5.113 4.470 -0.002 0.000 0.280 1027 S C -1.050 173.599 174.600 0.081 0.000 1.162 1027 S CA 0.147 58.397 58.200 0.084 0.000 0.951 1027 S CB 1.765 65.009 63.200 0.073 0.000 1.108 1027 S HN 1.921 nan 8.310 nan 0.000 0.464 1028 V N 5.827 125.780 119.914 0.066 0.000 2.612 1028 V HA 0.513 4.632 4.120 -0.002 0.000 0.301 1028 V C -0.598 175.598 176.094 0.170 0.000 1.059 1028 V CA -0.531 61.788 62.300 0.032 0.000 0.886 1028 V CB 1.638 33.425 31.823 -0.059 0.000 1.007 1028 V HN 0.885 nan 8.190 nan 0.000 0.426 1029 L N 5.192 126.506 121.223 0.152 0.000 2.352 1029 L HA 0.780 5.118 4.340 -0.002 0.000 0.269 1029 L C -0.749 176.237 176.870 0.193 0.000 1.034 1029 L CA -0.639 54.248 54.840 0.078 0.000 0.806 1029 L CB 1.751 43.808 42.059 -0.004 0.000 1.244 1029 L HN 0.721 nan 8.230 nan 0.000 0.447 1030 F N -1.053 118.920 119.950 0.038 0.000 2.601 1030 F HA 0.845 5.371 4.527 -0.003 0.000 0.309 1030 F C -0.109 175.630 175.800 -0.102 0.000 1.089 1030 F CA -0.909 57.037 58.000 -0.089 0.000 0.940 1030 F CB 1.216 40.057 39.000 -0.265 0.000 1.273 1030 F HN 0.366 nan 8.300 nan 0.000 0.450 1031 G N 0.299 109.132 108.800 0.055 0.000 2.417 1031 G HA2 0.644 4.603 3.960 -0.002 0.000 0.334 1031 G HA3 0.644 4.603 3.960 -0.002 0.000 0.334 1031 G C -1.130 173.824 174.900 0.091 0.000 1.150 1031 G CA -0.600 44.515 45.100 0.024 0.000 0.923 1031 G HN 1.017 nan 8.290 nan 0.000 0.485 1032 T N -2.110 112.499 114.554 0.091 0.000 2.907 1032 T HA 0.410 4.759 4.350 -0.002 0.000 0.290 1032 T C 1.231 175.991 174.700 0.099 0.000 1.066 1032 T CA -0.458 61.721 62.100 0.132 0.000 1.012 1032 T CB 1.427 70.391 68.868 0.160 0.000 1.184 1032 T HN 0.229 nan 8.240 nan 0.000 0.522 1033 V N 1.308 121.306 119.914 0.141 0.000 2.324 1033 V HA -0.171 3.948 4.120 -0.002 0.000 0.250 1033 V C 2.402 178.506 176.094 0.017 0.000 1.060 1033 V CA 1.923 64.254 62.300 0.051 0.000 1.042 1033 V CB -0.902 30.914 31.823 -0.011 0.000 0.650 1033 V HN 0.825 nan 8.190 nan 0.000 0.450 1034 N N -0.274 118.444 118.700 0.029 0.000 2.521 1034 N HA 0.041 4.780 4.740 -0.002 0.000 0.188 1034 N C 1.585 177.098 175.510 0.005 0.000 1.146 1034 N CA 1.114 54.168 53.050 0.007 0.000 0.893 1034 N CB 0.730 39.218 38.487 0.001 0.000 0.975 1034 N HN 0.634 nan 8.380 nan 0.000 0.451 1035 G N 0.065 108.869 108.800 0.006 0.000 2.234 1035 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.235 1035 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.235 1035 G C 0.268 175.158 174.900 -0.017 0.000 0.997 1035 G CA 0.170 45.264 45.100 -0.010 0.000 0.623 1035 G HN 0.335 nan 8.290 nan 0.000 0.514 1036 M N 1.896 121.494 119.600 -0.002 0.000 2.252 1036 M HA 0.439 4.917 4.480 -0.002 0.000 0.348 1036 M C -0.095 176.162 176.300 -0.071 0.000 1.334 1036 M CA 0.544 55.834 55.300 -0.017 0.000 1.071 1036 M CB -0.009 32.611 32.600 0.033 0.000 1.763 1036 M HN 0.241 nan 8.290 nan 0.000 0.452 1037 I N 4.838 125.318 120.570 -0.151 0.000 2.354 1037 I HA 0.425 4.593 4.170 -0.002 0.000 0.292 1037 I C 0.719 176.527 176.117 -0.514 0.000 0.989 1037 I CA -0.605 60.517 61.300 -0.298 0.000 1.188 1037 I CB 1.632 39.503 38.000 -0.215 0.000 1.342 1037 I HN 0.793 nan 8.210 nan 0.000 0.457 1038 G N 5.631 113.699 108.800 -1.219 0.000 2.613 1038 G HA2 0.741 4.700 3.960 -0.002 0.000 0.303 1038 G HA3 0.741 4.700 3.960 -0.002 0.000 0.303 1038 G C -1.412 172.924 174.900 -0.939 0.000 1.312 1038 G CA -0.407 43.835 45.100 -1.430 0.000 1.036 1038 G HN 0.429 nan 8.290 nan 0.000 0.513 1039 L N -0.873 120.182 121.223 -0.280 0.000 2.513 1039 L HA 0.703 5.042 4.340 -0.002 0.000 0.261 1039 L C -1.281 175.774 176.870 0.309 0.000 0.945 1039 L CA -0.744 54.127 54.840 0.052 0.000 0.848 1039 L CB 2.155 44.240 42.059 0.044 0.000 1.334 1039 L HN 0.399 nan 8.230 nan 0.000 0.407 1040 V N 3.499 123.610 119.914 0.328 0.000 2.540 1040 V HA 0.831 4.949 4.120 -0.002 0.000 0.302 1040 V C -0.090 176.117 176.094 0.187 0.000 1.035 1040 V CA -0.208 62.269 62.300 0.295 0.000 0.873 1040 V CB 1.875 33.870 31.823 0.287 0.000 0.992 1040 V HN 0.941 nan 8.190 nan 0.000 0.428 1041 T N 2.146 116.812 114.554 0.187 0.000 2.887 1041 T HA 0.561 4.910 4.350 -0.002 0.000 0.292 1041 T C -0.268 174.470 174.700 0.064 0.000 1.087 1041 T CA -0.566 61.590 62.100 0.094 0.000 1.009 1041 T CB 1.990 70.890 68.868 0.054 0.000 1.203 1041 T HN 0.618 nan 8.240 nan 0.000 0.518 1042 S N 0.601 116.303 115.700 0.004 0.000 2.690 1042 S HA 0.827 5.296 4.470 -0.002 0.000 0.291 1042 S C -0.715 173.871 174.600 -0.023 0.000 1.138 1042 S CA -0.783 57.411 58.200 -0.010 0.000 1.013 1042 S CB 0.587 63.767 63.200 -0.033 0.000 1.053 1042 S HN 0.445 nan 8.310 nan 0.000 0.539 1043 L N 0.832 122.072 121.223 0.028 0.000 2.341 1043 L HA 0.590 4.929 4.340 -0.002 0.000 0.254 1043 L C 0.151 177.062 176.870 0.068 0.000 1.040 1043 L CA -0.909 53.935 54.840 0.007 0.000 0.837 1043 L CB 2.071 44.204 42.059 0.123 0.000 1.425 1043 L HN 0.764 nan 8.230 nan 0.000 0.414 1044 S N -0.810 114.928 115.700 0.063 0.000 2.632 1044 S HA 0.128 4.597 4.470 -0.002 0.000 0.267 1044 S C 0.875 175.494 174.600 0.031 0.000 1.276 1044 S CA -0.237 58.027 58.200 0.107 0.000 0.998 1044 S CB 1.187 64.477 63.200 0.149 0.000 0.953 1044 S HN 0.765 nan 8.310 nan 0.000 0.547 1045 E N 1.640 121.802 120.200 -0.065 0.000 2.153 1045 E HA -0.190 4.159 4.350 -0.002 0.000 0.194 1045 E C 1.839 178.345 176.600 -0.156 0.000 0.988 1045 E CA 1.979 58.154 56.400 -0.375 0.000 0.811 1045 E CB -1.059 28.543 29.700 -0.164 0.000 0.746 1045 E HN 0.720 nan 8.360 nan 0.000 0.466 1046 S N -0.136 115.557 115.700 -0.011 0.000 2.345 1046 S HA -0.138 4.330 4.470 -0.002 0.000 0.220 1046 S C 1.981 176.562 174.600 -0.032 0.000 1.031 1046 S CA 0.865 59.046 58.200 -0.032 0.000 0.996 1046 S CB -1.112 62.065 63.200 -0.039 0.000 0.882 1046 S HN 0.411 nan 8.310 nan 0.000 0.445 1047 W N 1.091 122.352 121.300 -0.064 0.000 2.318 1047 W HA -0.087 4.571 4.660 -0.003 0.000 0.313 1047 W C 2.483 178.977 176.519 -0.040 0.000 1.221 1047 W CA 1.295 58.612 57.345 -0.046 0.000 1.266 1047 W CB -1.136 28.308 29.460 -0.028 0.000 1.150 1047 W HN 0.491 nan 8.180 nan 0.000 0.496 1048 Y N 1.650 121.989 120.300 0.064 0.000 2.139 1048 Y HA -0.367 4.182 4.550 -0.002 0.000 0.282 1048 Y C 2.172 178.042 175.900 -0.049 0.000 1.179 1048 Y CA 2.362 60.435 58.100 -0.046 0.000 1.161 1048 Y CB -0.785 37.475 38.460 -0.334 0.000 0.970 1048 Y HN -0.110 nan 8.280 nan 0.000 0.511 1049 N N 0.327 118.969 118.700 -0.098 0.000 2.207 1049 N HA -0.160 4.579 4.740 -0.002 0.000 0.182 1049 N C 2.098 177.510 175.510 -0.163 0.000 1.020 1049 N CA 1.242 54.205 53.050 -0.145 0.000 0.858 1049 N CB -0.663 37.790 38.487 -0.057 0.000 0.991 1049 N HN 0.471 nan 8.380 nan 0.000 0.427 1050 L N 1.094 122.221 121.223 -0.160 0.000 1.971 1050 L HA -0.160 4.178 4.340 -0.002 0.000 0.215 1050 L C 2.044 178.820 176.870 -0.157 0.000 1.072 1050 L CA 1.285 56.011 54.840 -0.190 0.000 0.758 1050 L CB -0.361 41.512 42.059 -0.310 0.000 0.889 1050 L HN 0.132 nan 8.230 nan 0.000 0.433 1051 L N -0.588 120.569 121.223 -0.109 0.000 2.042 1051 L HA -0.295 4.043 4.340 -0.002 0.000 0.210 1051 L C 2.575 179.375 176.870 -0.117 0.000 1.076 1051 L CA 1.164 55.975 54.840 -0.049 0.000 0.749 1051 L CB -0.501 41.622 42.059 0.106 0.000 0.893 1051 L HN 0.401 nan 8.230 nan 0.000 0.432 1052 L N -0.124 120.946 121.223 -0.255 0.000 2.083 1052 L HA -0.254 4.085 4.340 -0.002 0.000 0.209 1052 L C 2.276 179.072 176.870 -0.124 0.000 1.083 1052 L CA 1.581 56.255 54.840 -0.276 0.000 0.752 1052 L CB -0.241 41.515 42.059 -0.504 0.000 0.899 1052 L HN 0.351 nan 8.230 nan 0.000 0.433 1053 D N -0.323 120.008 120.400 -0.116 0.000 2.078 1053 D HA -0.252 4.387 4.640 -0.002 0.000 0.193 1053 D C 2.269 178.539 176.300 -0.049 0.000 0.990 1053 D CA 1.260 55.219 54.000 -0.068 0.000 0.827 1053 D CB -0.020 40.734 40.800 -0.077 0.000 0.975 1053 D HN 0.059 nan 8.370 nan 0.000 0.451 1054 M N 0.328 119.884 119.600 -0.073 0.000 2.146 1054 M HA -0.278 4.200 4.480 -0.002 0.000 0.251 1054 M C 2.106 178.399 176.300 -0.011 0.000 1.083 1054 M CA 1.758 57.019 55.300 -0.066 0.000 1.076 1054 M CB -0.985 31.562 32.600 -0.088 0.000 1.332 1054 M HN 0.301 nan 8.290 nan 0.000 0.400 1055 Q N -0.855 118.949 119.800 0.007 0.000 1.994 1055 Q HA -0.160 4.179 4.340 -0.002 0.000 0.198 1055 Q C 1.774 177.814 176.000 0.067 0.000 0.976 1055 Q CA 1.769 57.603 55.803 0.052 0.000 0.828 1055 Q CB -0.192 28.601 28.738 0.091 0.000 0.894 1055 Q HN 0.640 nan 8.270 nan 0.000 0.432 1056 N N 0.612 119.346 118.700 0.057 0.000 2.018 1056 N HA -0.191 4.547 4.740 -0.002 0.000 0.196 1056 N C 1.701 177.246 175.510 0.058 0.000 1.043 1056 N CA 1.513 54.601 53.050 0.063 0.000 0.856 1056 N CB -0.154 38.359 38.487 0.044 0.000 1.042 1056 N HN 0.118 nan 8.380 nan 0.000 0.423 1057 R N 0.493 121.017 120.500 0.041 0.000 2.117 1057 R HA -0.080 4.259 4.340 -0.002 0.000 0.243 1057 R C 2.040 178.381 176.300 0.069 0.000 1.143 1057 R CA 0.882 57.010 56.100 0.046 0.000 0.968 1057 R CB -0.533 29.787 30.300 0.033 0.000 0.863 1057 R HN 0.276 nan 8.270 nan 0.000 0.444 1058 L N 0.967 122.235 121.223 0.075 0.000 2.275 1058 L HA -0.130 4.209 4.340 -0.002 0.000 0.215 1058 L C 1.594 178.519 176.870 0.092 0.000 1.119 1058 L CA 0.920 55.820 54.840 0.099 0.000 0.790 1058 L CB -0.171 41.949 42.059 0.101 0.000 0.919 1058 L HN 0.326 nan 8.230 nan 0.000 0.443 1059 N N -0.374 118.380 118.700 0.089 0.000 2.278 1059 N HA -0.097 4.641 4.740 -0.002 0.000 0.181 1059 N C 1.507 177.075 175.510 0.097 0.000 1.023 1059 N CA 0.545 53.658 53.050 0.106 0.000 0.862 1059 N CB -0.037 38.528 38.487 0.129 0.000 1.003 1059 N HN 0.269 nan 8.380 nan 0.000 0.431 1060 K N 0.985 121.433 120.400 0.081 0.000 2.148 1060 K HA -0.160 4.158 4.320 -0.002 0.000 0.213 1060 K C 2.026 178.661 176.600 0.059 0.000 1.050 1060 K CA 1.436 57.761 56.287 0.065 0.000 0.932 1060 K CB -0.235 32.298 32.500 0.055 0.000 0.717 1060 K HN 0.027 nan 8.250 nan 0.000 0.462 1061 V N 1.292 121.245 119.914 0.065 0.000 2.326 1061 V HA -0.038 4.081 4.120 -0.002 0.000 0.238 1061 V C 1.412 177.536 176.094 0.050 0.000 1.038 1061 V CA 0.532 62.864 62.300 0.053 0.000 1.032 1061 V CB -0.106 31.754 31.823 0.062 0.000 0.675 1061 V HN 0.183 nan 8.190 nan 0.000 0.467 1062 I N 2.406 123.017 120.570 0.068 0.000 2.618 1062 I HA 0.028 4.196 4.170 -0.002 0.000 0.284 1062 I C 0.561 176.716 176.117 0.064 0.000 1.146 1062 I CA 0.283 61.620 61.300 0.062 0.000 1.425 1062 I CB 0.440 38.495 38.000 0.092 0.000 1.383 1062 I HN 0.370 nan 8.210 nan 0.000 0.562 1063 K N 4.991 125.405 120.400 0.024 0.000 2.310 1063 K HA 0.244 4.562 4.320 -0.002 0.000 0.290 1063 K C -0.119 176.474 176.600 -0.012 0.000 1.077 1063 K CA -0.370 55.921 56.287 0.007 0.000 0.922 1063 K CB 1.009 33.495 32.500 -0.023 0.000 1.057 1063 K HN 0.456 nan 8.250 nan 0.000 0.479 1064 S N 3.657 119.371 115.700 0.023 0.000 2.481 1064 S HA 0.042 4.511 4.470 -0.002 0.000 0.276 1064 S C 1.429 175.976 174.600 -0.088 0.000 1.247 1064 S CA -0.797 57.385 58.200 -0.030 0.000 1.053 1064 S CB 0.418 63.722 63.200 0.173 0.000 0.925 1064 S HN 0.485 nan 8.310 nan 0.000 0.491 1065 V N 5.706 125.514 119.914 -0.176 0.000 2.259 1065 V HA -0.231 3.888 4.120 -0.002 0.000 0.245 1065 V C 2.321 178.370 176.094 -0.075 0.000 1.024 1065 V CA 2.406 64.632 62.300 -0.123 0.000 1.022 1065 V CB -1.338 30.401 31.823 -0.141 0.000 0.663 1065 V HN 1.007 nan 8.190 nan 0.000 0.480 1066 G N -0.757 108.006 108.800 -0.061 0.000 3.374 1066 G HA2 0.135 4.094 3.960 -0.002 0.000 0.252 1066 G HA3 0.135 4.094 3.960 -0.002 0.000 0.252 1066 G C 0.456 175.356 174.900 -0.000 0.000 1.326 1066 G CA -0.022 45.071 45.100 -0.011 0.000 1.133 1066 G HN 0.677 nan 8.290 nan 0.000 0.528 1067 K N -0.516 119.855 120.400 -0.049 0.000 3.419 1067 K HA -0.172 4.147 4.320 -0.002 0.000 0.272 1067 K C -0.326 176.322 176.600 0.079 0.000 0.973 1067 K CA 0.425 56.668 56.287 -0.072 0.000 0.749 1067 K CB -1.319 30.930 32.500 -0.419 0.000 1.403 1067 K HN 0.414 nan 8.250 nan 0.000 0.456 1068 I N 1.077 121.735 120.570 0.147 0.000 2.389 1068 I HA 0.134 4.302 4.170 -0.002 0.000 0.288 1068 I C 0.449 176.751 176.117 0.307 0.000 0.999 1068 I CA -1.023 60.405 61.300 0.213 0.000 1.129 1068 I CB 1.653 39.794 38.000 0.234 0.000 1.288 1068 I HN 0.068 nan 8.210 nan 0.000 0.444 1069 E N 3.663 124.002 120.200 0.232 0.000 2.415 1069 E HA -0.083 4.265 4.350 -0.002 0.000 0.260 1069 E C 0.947 177.690 176.600 0.238 0.000 1.016 1069 E CA 0.419 56.957 56.400 0.229 0.000 0.924 1069 E CB 0.282 30.078 29.700 0.161 0.000 0.961 1069 E HN 0.417 nan 8.360 nan 0.000 0.459 1070 H N 2.552 121.599 119.070 -0.038 0.000 2.460 1070 H HA -0.164 4.391 4.556 -0.002 0.000 0.297 1070 H C 1.895 177.210 175.328 -0.022 0.000 1.103 1070 H CA 2.184 58.062 56.048 -0.283 0.000 1.292 1070 H CB 0.238 29.738 29.762 -0.436 0.000 1.376 1070 H HN 0.428 nan 8.280 nan 0.000 0.531 1071 S N -1.320 114.345 115.700 -0.058 0.000 2.368 1071 S HA -0.139 4.330 4.470 -0.002 0.000 0.224 1071 S C 1.975 176.562 174.600 -0.021 0.000 1.029 1071 S CA 1.010 59.164 58.200 -0.076 0.000 0.988 1071 S CB -0.613 62.620 63.200 0.055 0.000 0.838 1071 S HN 0.509 nan 8.310 nan 0.000 0.462 1072 F N 1.986 121.912 119.950 -0.040 0.000 2.084 1072 F HA -0.001 4.524 4.527 -0.002 0.000 0.296 1072 F C 2.104 177.901 175.800 -0.005 0.000 1.111 1072 F CA 1.822 59.814 58.000 -0.014 0.000 1.224 1072 F CB -0.822 38.202 39.000 0.040 0.000 0.991 1072 F HN 0.485 nan 8.300 nan 0.000 0.471 1073 W N 1.743 122.981 121.300 -0.103 0.000 2.302 1073 W HA -0.270 4.389 4.660 -0.002 0.000 0.320 1073 W C 1.572 177.910 176.519 -0.303 0.000 1.241 1073 W CA 1.412 58.651 57.345 -0.177 0.000 1.264 1073 W CB -0.331 29.125 29.460 -0.008 0.000 1.154 1073 W HN -0.101 nan 8.180 nan 0.000 0.483 1074 R N 1.038 121.156 120.500 -0.637 0.000 2.313 1074 R HA -0.004 4.335 4.340 -0.002 0.000 0.199 1074 R C 0.937 176.918 176.300 -0.531 0.000 0.958 1074 R CA 0.791 56.353 56.100 -0.895 0.000 1.047 1074 R CB -0.816 28.962 30.300 -0.871 0.000 0.955 1074 R HN 0.134 nan 8.270 nan 0.000 0.481 1075 S N 0.471 115.940 115.700 -0.386 0.000 2.531 1075 S HA 0.117 4.586 4.470 -0.002 0.000 0.279 1075 S C 0.140 174.646 174.600 -0.158 0.000 1.305 1075 S CA -0.770 57.310 58.200 -0.201 0.000 1.058 1075 S CB 0.380 63.486 63.200 -0.157 0.000 0.899 1075 S HN 0.157 nan 8.310 nan 0.000 0.493 1076 F N 3.300 123.179 119.950 -0.119 0.000 2.635 1076 F HA 0.193 4.719 4.527 -0.002 0.000 0.379 1076 F C 0.489 176.295 175.800 0.010 0.000 1.094 1076 F CA 1.247 59.230 58.000 -0.027 0.000 1.300 1076 F CB 0.245 39.249 39.000 0.008 0.000 1.035 1076 F HN 0.915 nan 8.300 nan 0.000 0.581 1077 H N 3.218 121.986 119.070 -0.504 0.000 3.240 1077 H HA 0.343 4.898 4.556 -0.002 0.000 0.329 1077 H C -1.164 173.954 175.328 -0.349 0.000 1.024 1077 H CA -0.298 55.556 56.048 -0.323 0.000 1.487 1077 H CB 0.923 30.467 29.762 -0.364 0.000 1.909 1077 H HN 0.666 nan 8.280 nan 0.000 0.465 1078 T N 1.188 115.448 114.554 -0.490 0.000 2.907 1078 T HA 0.242 4.591 4.350 -0.002 0.000 0.292 1078 T C 0.934 175.420 174.700 -0.357 0.000 1.043 1078 T CA -0.835 60.981 62.100 -0.474 0.000 1.003 1078 T CB 2.178 70.938 68.868 -0.180 0.000 1.084 1078 T HN 0.442 nan 8.240 nan 0.000 0.483 1079 E N 0.827 120.860 120.200 -0.279 0.000 2.171 1079 E HA -0.193 4.155 4.350 -0.002 0.000 0.197 1079 E C 2.032 178.646 176.600 0.023 0.000 0.997 1079 E CA 1.655 58.013 56.400 -0.070 0.000 0.810 1079 E CB -0.140 29.534 29.700 -0.043 0.000 0.738 1079 E HN 0.697 nan 8.360 nan 0.000 0.467 1080 R N 0.251 120.761 120.500 0.016 0.000 2.060 1080 R HA -0.074 4.265 4.340 -0.002 0.000 0.225 1080 R C 0.451 176.799 176.300 0.081 0.000 1.155 1080 R CA 1.513 57.643 56.100 0.051 0.000 0.930 1080 R CB -0.124 30.210 30.300 0.057 0.000 0.829 1080 R HN 0.104 nan 8.270 nan 0.000 0.433 1081 K N -0.655 119.811 120.400 0.109 0.000 2.258 1081 K HA 0.435 4.754 4.320 -0.002 0.000 0.236 1081 K C -1.306 175.423 176.600 0.215 0.000 1.008 1081 K CA -0.794 55.578 56.287 0.142 0.000 0.869 1081 K CB 2.082 34.656 32.500 0.123 0.000 1.171 1081 K HN -0.073 nan 8.250 nan 0.000 0.447 1082 T N 1.242 115.908 114.554 0.187 0.000 3.293 1082 T HA 0.285 4.634 4.350 -0.002 0.000 0.320 1082 T C -1.624 173.161 174.700 0.142 0.000 0.995 1082 T CA -0.831 61.388 62.100 0.197 0.000 1.041 1082 T CB 0.943 69.895 68.868 0.141 0.000 1.058 1082 T HN 0.571 nan 8.240 nan 0.000 0.453 1083 E N 2.882 123.183 120.200 0.169 0.000 2.312 1083 E HA 0.532 4.880 4.350 -0.002 0.000 0.267 1083 E C -2.694 173.965 176.600 0.099 0.000 0.894 1083 E CA -2.510 53.950 56.400 0.100 0.000 0.773 1083 E CB 1.670 31.392 29.700 0.037 0.000 1.241 1083 E HN 0.260 nan 8.360 nan 0.000 0.432 1084 P HA 0.154 nan 4.420 nan 0.000 0.272 1084 P C -0.737 176.627 177.300 0.106 0.000 1.240 1084 P CA -0.178 62.964 63.100 0.070 0.000 0.791 1084 P CB 0.511 32.252 31.700 0.069 0.000 0.978 1085 A N 1.145 124.034 122.820 0.116 0.000 2.346 1085 A HA 0.629 4.947 4.320 -0.002 0.000 0.252 1085 A C -0.141 177.599 177.584 0.259 0.000 1.089 1085 A CA 0.420 52.586 52.037 0.215 0.000 0.797 1085 A CB -0.320 18.825 19.000 0.243 0.000 1.047 1085 A HN 0.579 nan 8.150 nan 0.000 0.494 1086 T N -1.327 113.435 114.554 0.347 0.000 2.885 1086 T HA 0.536 4.885 4.350 -0.002 0.000 0.322 1086 T C 0.543 175.430 174.700 0.312 0.000 1.387 1086 T CA 0.115 62.398 62.100 0.305 0.000 1.041 1086 T CB 1.085 70.059 68.868 0.176 0.000 1.287 1086 T HN 2.292 nan 8.240 nan 0.000 0.491 1087 G N 0.524 109.436 108.800 0.187 0.000 2.337 1087 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.290 1087 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.290 1087 G C -0.210 174.608 174.900 -0.136 0.000 1.003 1087 G CA 0.491 45.517 45.100 -0.123 0.000 0.825 1087 G HN 0.677 nan 8.290 nan 0.000 0.509 1088 F N -1.082 119.069 119.950 0.335 0.000 2.574 1088 F HA 0.647 5.173 4.527 -0.002 0.000 0.313 1088 F C 0.169 176.078 175.800 0.182 0.000 1.130 1088 F CA -1.060 57.032 58.000 0.154 0.000 0.936 1088 F CB 1.778 40.774 39.000 -0.007 0.000 1.219 1088 F HN -0.055 nan 8.300 nan 0.000 0.445 1089 I N 3.464 124.196 120.570 0.269 0.000 2.509 1089 I HA 0.283 4.451 4.170 -0.002 0.000 0.293 1089 I C -1.382 174.703 176.117 -0.054 0.000 1.020 1089 I CA -0.879 60.504 61.300 0.138 0.000 1.088 1089 I CB 2.012 40.093 38.000 0.136 0.000 1.267 1089 I HN 0.456 nan 8.210 nan 0.000 0.430 1090 D N 5.000 125.445 120.400 0.075 0.000 2.349 1090 D HA 0.194 4.832 4.640 -0.002 0.000 0.232 1090 D C 0.915 177.148 176.300 -0.112 0.000 1.071 1090 D CA -0.708 53.284 54.000 -0.014 0.000 0.832 1090 D CB 1.758 42.739 40.800 0.302 0.000 1.086 1090 D HN 0.662 nan 8.370 nan 0.000 0.504 1091 G N 2.122 110.667 108.800 -0.425 0.000 2.559 1091 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.216 1091 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.216 1091 G C 1.015 176.006 174.900 0.153 0.000 1.126 1091 G CA 0.184 45.224 45.100 -0.099 0.000 0.778 1091 G HN 0.402 nan 8.290 nan 0.000 0.543 1092 D N 0.110 120.590 120.400 0.133 0.000 2.084 1092 D HA -0.089 4.550 4.640 -0.002 0.000 0.194 1092 D C 2.375 178.784 176.300 0.182 0.000 0.990 1092 D CA 0.337 54.450 54.000 0.188 0.000 0.826 1092 D CB -0.212 40.723 40.800 0.225 0.000 0.971 1092 D HN 0.159 nan 8.370 nan 0.000 0.453 1093 L N 0.492 121.809 121.223 0.155 0.000 2.046 1093 L HA -0.111 4.228 4.340 -0.002 0.000 0.208 1093 L C 2.104 179.044 176.870 0.117 0.000 1.077 1093 L CA 1.144 56.034 54.840 0.083 0.000 0.747 1093 L CB -0.269 41.734 42.059 -0.093 0.000 0.896 1093 L HN 0.143 nan 8.230 nan 0.000 0.432 1094 I N -0.462 120.190 120.570 0.137 0.000 2.830 1094 I HA -0.242 3.926 4.170 -0.002 0.000 0.263 1094 I C 1.851 178.105 176.117 0.229 0.000 1.230 1094 I CA 0.900 62.304 61.300 0.174 0.000 1.480 1094 I CB 0.022 38.145 38.000 0.205 0.000 1.095 1094 I HN 0.353 nan 8.210 nan 0.000 0.455 1095 E N -0.131 120.210 120.200 0.235 0.000 2.415 1095 E HA -0.071 4.278 4.350 -0.002 0.000 0.197 1095 E C 2.066 178.801 176.600 0.226 0.000 1.007 1095 E CA 0.628 57.178 56.400 0.249 0.000 0.890 1095 E CB 0.262 30.110 29.700 0.245 0.000 0.891 1095 E HN 0.399 nan 8.360 nan 0.000 0.496 1096 S N 0.632 116.450 115.700 0.197 0.000 2.465 1096 S HA -0.209 4.259 4.470 -0.002 0.000 0.241 1096 S C 1.701 176.401 174.600 0.168 0.000 1.000 1096 S CA 0.520 58.814 58.200 0.157 0.000 0.964 1096 S CB -0.517 62.763 63.200 0.133 0.000 0.763 1096 S HN 0.405 nan 8.310 nan 0.000 0.512 1097 F N 2.060 122.055 119.950 0.075 0.000 2.408 1097 F HA 0.153 4.679 4.527 -0.002 0.000 0.300 1097 F C 1.592 177.428 175.800 0.059 0.000 1.090 1097 F CA 0.802 58.839 58.000 0.062 0.000 1.427 1097 F CB -0.202 38.837 39.000 0.066 0.000 1.070 1097 F HN 0.168 nan 8.300 nan 0.000 0.549 1098 L N -0.309 120.944 121.223 0.051 0.000 2.270 1098 L HA -0.070 4.268 4.340 -0.002 0.000 0.210 1098 L C 1.211 178.023 176.870 -0.097 0.000 1.104 1098 L CA 0.743 55.546 54.840 -0.062 0.000 0.804 1098 L CB -0.599 41.515 42.059 0.092 0.000 0.937 1098 L HN -0.049 nan 8.230 nan 0.000 0.450 1099 D N 0.106 120.480 120.400 -0.042 0.000 2.349 1099 D HA 0.160 4.798 4.640 -0.002 0.000 0.224 1099 D C 0.796 177.048 176.300 -0.080 0.000 1.029 1099 D CA 0.430 54.406 54.000 -0.041 0.000 0.879 1099 D CB 0.234 41.030 40.800 -0.006 0.000 0.906 1099 D HN 0.211 nan 8.370 nan 0.000 0.528 1100 I N 0.291 120.778 120.570 -0.138 0.000 3.021 1100 I HA 0.047 4.216 4.170 -0.002 0.000 0.303 1100 I C 0.963 176.986 176.117 -0.156 0.000 1.044 1100 I CA -0.552 60.664 61.300 -0.140 0.000 1.266 1100 I CB 1.011 38.907 38.000 -0.174 0.000 1.447 1100 I HN -0.121 nan 8.210 nan 0.000 0.593 1101 S N 3.165 118.792 115.700 -0.123 0.000 2.578 1101 S HA 0.351 4.820 4.470 -0.002 0.000 0.283 1101 S C 0.994 175.527 174.600 -0.112 0.000 1.195 1101 S CA -0.696 57.437 58.200 -0.112 0.000 1.050 1101 S CB 1.693 64.841 63.200 -0.087 0.000 1.012 1101 S HN 0.585 nan 8.310 nan 0.000 0.511 1102 R N 1.637 122.075 120.500 -0.103 0.000 2.134 1102 R HA -0.121 4.217 4.340 -0.002 0.000 0.248 1102 R C -0.880 175.390 176.300 -0.050 0.000 1.143 1102 R CA 2.363 58.416 56.100 -0.079 0.000 0.957 1102 R CB -1.922 28.340 30.300 -0.063 0.000 0.867 1102 R HN 0.601 nan 8.270 nan 0.000 0.441 1103 P HA -0.161 nan 4.420 nan 0.000 0.215 1103 P C 0.719 178.007 177.300 -0.019 0.000 1.157 1103 P CA 1.429 64.512 63.100 -0.028 0.000 0.868 1103 P CB -0.076 31.604 31.700 -0.033 0.000 0.788 1104 K N -1.248 119.135 120.400 -0.029 0.000 2.209 1104 K HA -0.101 4.217 4.320 -0.002 0.000 0.204 1104 K C 2.177 178.779 176.600 0.004 0.000 1.048 1104 K CA 1.195 57.474 56.287 -0.014 0.000 0.940 1104 K CB -0.438 32.046 32.500 -0.027 0.000 0.729 1104 K HN 0.209 nan 8.250 nan 0.000 0.451 1105 M N 0.645 120.231 119.600 -0.024 0.000 2.160 1105 M HA -0.180 4.299 4.480 -0.002 0.000 0.264 1105 M C 1.885 178.239 176.300 0.090 0.000 1.073 1105 M CA 1.571 56.873 55.300 0.003 0.000 1.142 1105 M CB 0.158 32.684 32.600 -0.124 0.000 1.358 1105 M HN 0.024 nan 8.290 nan 0.000 0.422 1106 Q N -0.112 119.718 119.800 0.050 0.000 2.291 1106 Q HA -0.195 4.144 4.340 -0.002 0.000 0.205 1106 Q C 1.660 177.692 176.000 0.052 0.000 0.970 1106 Q CA 1.294 57.130 55.803 0.056 0.000 0.876 1106 Q CB -0.039 28.717 28.738 0.031 0.000 0.935 1106 Q HN 0.538 nan 8.270 nan 0.000 0.455 1107 E N -0.306 119.922 120.200 0.046 0.000 2.153 1107 E HA -0.109 4.240 4.350 -0.002 0.000 0.194 1107 E C -0.068 176.566 176.600 0.057 0.000 0.988 1107 E CA 0.446 56.872 56.400 0.042 0.000 0.811 1107 E CB 0.406 30.126 29.700 0.033 0.000 0.746 1107 E HN 0.081 nan 8.360 nan 0.000 0.466 1108 V N -0.057 119.912 119.914 0.091 0.000 3.170 1108 V HA 0.006 4.125 4.120 -0.002 0.000 0.309 1108 V C 0.767 176.916 176.094 0.092 0.000 1.071 1108 V CA -0.445 61.919 62.300 0.106 0.000 1.063 1108 V CB 1.668 33.610 31.823 0.199 0.000 1.123 1108 V HN 0.077 nan 8.190 nan 0.000 0.464 1109 V N 0.724 120.665 119.914 0.046 0.000 6.078 1109 V HA -0.216 3.902 4.120 -0.002 0.000 0.301 1109 V C 0.968 177.076 176.094 0.022 0.000 0.571 1109 V CA 1.153 63.467 62.300 0.022 0.000 0.625 1109 V CB -2.065 29.800 31.823 0.070 0.000 0.271 1109 V HN 1.258 nan 8.190 nan 0.000 0.788 1110 A N 0.571 123.397 122.820 0.010 0.000 2.141 1110 A HA 0.467 4.785 4.320 -0.002 0.000 0.201 1110 A C 0.554 178.138 177.584 0.000 0.000 1.344 1110 A CA 0.867 52.910 52.037 0.010 0.000 0.971 1110 A CB 0.380 19.389 19.000 0.016 0.000 1.035 1110 A HN 0.836 nan 8.150 nan 0.000 0.480 1111 N N -0.214 118.481 118.700 -0.008 0.000 2.653 1111 N HA 0.489 5.227 4.740 -0.002 0.000 0.261 1111 N C -0.636 174.859 175.510 -0.026 0.000 1.216 1111 N CA -0.225 52.816 53.050 -0.013 0.000 0.784 1111 N CB 1.747 40.229 38.487 -0.009 0.000 1.327 1111 N HN 0.688 nan 8.380 nan 0.000 0.539 1123 E N 1.559 121.732 120.200 -0.044 0.000 2.060 1123 E HA 0.276 4.624 4.350 -0.002 0.000 0.189 1123 E C 0.464 177.049 176.600 -0.026 0.000 0.974 1123 E CA 1.045 57.428 56.400 -0.028 0.000 0.808 1123 E CB 0.292 29.978 29.700 -0.022 0.000 0.768 1123 E HN 0.656 nan 8.360 nan 0.000 0.453 1124 A N 0.676 123.473 122.820 -0.038 0.000 2.331 1124 A HA -0.119 4.200 4.320 -0.002 0.000 0.274 1124 A C -0.158 177.422 177.584 -0.008 0.000 1.395 1124 A CA 0.584 52.601 52.037 -0.034 0.000 0.721 1124 A CB -2.321 16.662 19.000 -0.029 0.000 1.160 1124 A HN 0.139 nan 8.150 nan 0.000 0.345 1125 T N 0.158 114.711 114.554 -0.001 0.000 2.885 1125 T HA 0.767 5.115 4.350 -0.002 0.000 0.285 1125 T C 1.566 176.305 174.700 0.064 0.000 1.019 1125 T CA 0.034 62.151 62.100 0.028 0.000 1.010 1125 T CB 1.938 70.821 68.868 0.024 0.000 1.022 1125 T HN 1.671 nan 8.240 nan 0.000 0.466 1126 A N 1.910 124.787 122.820 0.096 0.000 1.841 1126 A HA -0.076 4.243 4.320 -0.002 0.000 0.214 1126 A C 1.925 179.614 177.584 0.175 0.000 1.195 1126 A CA 1.358 53.505 52.037 0.182 0.000 0.611 1126 A CB -0.751 18.330 19.000 0.135 0.000 0.835 1126 A HN 0.883 nan 8.150 nan 0.000 0.443 1127 D N 0.094 120.559 120.400 0.109 0.000 2.157 1127 D HA -0.224 4.414 4.640 -0.002 0.000 0.191 1127 D C 1.506 177.862 176.300 0.094 0.000 1.004 1127 D CA 1.832 55.891 54.000 0.099 0.000 0.854 1127 D CB -0.496 40.348 40.800 0.073 0.000 0.936 1127 D HN 0.475 nan 8.370 nan 0.000 0.446 1128 D N 0.313 120.752 120.400 0.065 0.000 2.144 1128 D HA -0.111 4.527 4.640 -0.002 0.000 0.199 1128 D C 1.925 178.240 176.300 0.026 0.000 0.984 1128 D CA 0.222 54.242 54.000 0.034 0.000 0.834 1128 D CB -0.133 40.670 40.800 0.006 0.000 0.955 1128 D HN 0.097 nan 8.370 nan 0.000 0.465 1129 L N 0.527 121.773 121.223 0.038 0.000 2.341 1129 L HA 0.101 4.439 4.340 -0.002 0.000 0.214 1129 L C 2.094 179.006 176.870 0.069 0.000 1.115 1129 L CA 0.434 55.253 54.840 -0.035 0.000 0.820 1129 L CB -0.410 41.573 42.059 -0.126 0.000 0.944 1129 L HN 0.082 nan 8.230 nan 0.000 0.452 1130 I N -0.051 120.688 120.570 0.283 0.000 2.394 1130 I HA -0.314 3.854 4.170 -0.002 0.000 0.251 1130 I C 2.402 178.642 176.117 0.206 0.000 1.136 1130 I CA 0.961 62.492 61.300 0.384 0.000 1.425 1130 I CB -0.079 38.088 38.000 0.279 0.000 1.079 1130 I HN 0.207 nan 8.210 nan 0.000 0.425 1131 K N 0.412 120.891 120.400 0.131 0.000 2.097 1131 K HA -0.118 4.201 4.320 -0.002 0.000 0.205 1131 K C 2.044 178.706 176.600 0.103 0.000 1.050 1131 K CA 1.021 57.367 56.287 0.098 0.000 0.938 1131 K CB 0.127 32.668 32.500 0.069 0.000 0.718 1131 K HN 0.074 nan 8.250 nan 0.000 0.442 1132 V N 0.142 120.112 119.914 0.093 0.000 2.379 1132 V HA -0.180 3.938 4.120 -0.002 0.000 0.245 1132 V C 2.047 178.244 176.094 0.171 0.000 1.044 1132 V CA 1.264 63.660 62.300 0.159 0.000 1.036 1132 V CB 0.145 32.005 31.823 0.062 0.000 0.664 1132 V HN 0.124 nan 8.190 nan 0.000 0.453 1133 V N -0.034 119.958 119.914 0.130 0.000 2.427 1133 V HA -0.232 3.886 4.120 -0.002 0.000 0.248 1133 V C 2.337 178.521 176.094 0.151 0.000 1.051 1133 V CA 1.908 64.305 62.300 0.162 0.000 1.048 1133 V CB -0.602 31.347 31.823 0.210 0.000 0.666 1133 V HN 0.641 nan 8.190 nan 0.000 0.456 1134 E N 0.002 120.285 120.200 0.138 0.000 2.106 1134 E HA -0.216 4.132 4.350 -0.002 0.000 0.192 1134 E C 2.117 178.745 176.600 0.046 0.000 0.984 1134 E CA 1.206 57.662 56.400 0.094 0.000 0.806 1134 E CB -0.168 29.586 29.700 0.090 0.000 0.750 1134 E HN 0.683 nan 8.360 nan 0.000 0.458 1135 E N 0.515 120.746 120.200 0.052 0.000 2.331 1135 E HA -0.153 4.196 4.350 -0.002 0.000 0.199 1135 E C 1.847 178.422 176.600 -0.043 0.000 1.008 1135 E CA 0.582 56.989 56.400 0.013 0.000 0.843 1135 E CB 0.021 29.752 29.700 0.052 0.000 0.761 1135 E HN 0.306 nan 8.360 nan 0.000 0.507 1136 L N 0.359 121.569 121.223 -0.022 0.000 2.477 1136 L HA -0.015 4.323 4.340 -0.002 0.000 0.220 1136 L C 2.319 179.126 176.870 -0.105 0.000 1.106 1136 L CA 0.766 55.543 54.840 -0.105 0.000 0.851 1136 L CB -0.062 41.964 42.059 -0.055 0.000 0.994 1136 L HN 0.205 nan 8.230 nan 0.000 0.462 1137 T N -2.960 111.553 114.554 -0.069 0.000 3.035 1137 T HA -0.124 4.224 4.350 -0.002 0.000 0.268 1137 T C 1.677 176.205 174.700 -0.287 0.000 1.109 1137 T CA 0.554 62.553 62.100 -0.169 0.000 1.119 1137 T CB -0.238 68.600 68.868 -0.050 0.000 0.900 1137 T HN 0.255 nan 8.240 nan 0.000 0.503 1138 R N 0.185 120.578 120.500 -0.179 0.000 2.335 1138 R HA 0.434 4.772 4.340 -0.002 0.000 0.223 1138 R C 1.646 177.857 176.300 -0.149 0.000 0.940 1138 R CA -0.060 55.947 56.100 -0.155 0.000 1.086 1138 R CB -0.306 29.937 30.300 -0.094 0.000 1.073 1138 R HN 0.413 nan 8.270 nan 0.000 0.504 1139 I N 0.265 120.722 120.570 -0.189 0.000 2.617 1139 I HA -0.137 4.031 4.170 -0.002 0.000 0.256 1139 I C 0.653 176.771 176.117 0.002 0.000 1.167 1139 I CA 0.904 62.149 61.300 -0.092 0.000 1.469 1139 I CB -0.063 37.898 38.000 -0.064 0.000 1.098 1139 I HN 0.312 nan 8.210 nan 0.000 0.436 1140 H N 0.000 119.084 119.070 0.023 0.000 2.539 1140 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 1140 H CA 0.000 56.064 56.048 0.027 0.000 1.023 1140 H CB 0.000 29.784 29.762 0.037 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496