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 3i7l_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 FSSXXXXXXX XXGEEVEVHN 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 NXXXXXXXXX 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 0.000 175.789 176.300 -0.852 0.000 1.140 1 M CA 0.000 55.029 55.300 -0.452 0.000 0.988 1 M CB 0.000 32.461 32.600 -0.231 0.000 1.302 2 S N 1.102 116.323 115.700 -0.798 0.000 2.462 2 S HA 0.789 5.259 4.470 0.000 0.000 0.294 2 S C -1.540 172.474 174.600 -0.976 0.000 1.144 2 S CA -0.240 57.500 58.200 -0.767 0.000 1.088 2 S CB 0.681 63.644 63.200 -0.395 0.000 1.009 2 S HN 0.355 nan 8.310 nan 0.000 0.484 3 Y N 3.987 124.042 120.300 -0.408 0.000 2.338 3 Y HA 0.545 5.095 4.550 -0.000 0.000 0.328 3 Y C 0.487 176.212 175.900 -0.293 0.000 0.965 3 Y CA -1.112 56.698 58.100 -0.483 0.000 1.208 3 Y CB 0.965 39.178 38.460 -0.411 0.000 1.132 3 Y HN 0.567 nan 8.280 nan 0.000 0.469 4 N N 1.647 120.209 118.700 -0.230 0.000 2.509 4 N HA 0.419 5.159 4.740 0.000 0.000 0.280 4 N C -1.973 173.465 175.510 -0.120 0.000 1.306 4 N CA -0.893 51.938 53.050 -0.364 0.000 0.782 4 N CB 2.974 40.831 38.487 -1.050 0.000 1.493 4 N HN 0.655 nan 8.380 nan 0.000 0.498 5 Y N 0.598 120.785 120.300 -0.187 0.000 2.362 5 Y HA 0.358 4.908 4.550 0.000 0.000 0.326 5 Y C -1.145 174.751 175.900 -0.007 0.000 1.083 5 Y CA -0.816 57.257 58.100 -0.047 0.000 1.073 5 Y CB 0.898 39.352 38.460 -0.010 0.000 1.211 5 Y HN 0.239 nan 8.280 nan 0.000 0.433 6 V N 5.581 125.362 119.914 -0.222 0.000 2.417 6 V HA 0.904 5.024 4.120 0.000 0.000 0.291 6 V C -0.989 174.991 176.094 -0.190 0.000 1.024 6 V CA -0.654 61.594 62.300 -0.087 0.000 0.861 6 V CB 0.793 32.567 31.823 -0.081 0.000 0.985 6 V HN 0.677 nan 8.190 nan 0.000 0.436 7 V N 1.559 121.453 119.914 -0.033 0.000 2.864 7 V HA 0.702 4.822 4.120 0.000 0.000 0.314 7 V C 0.300 176.326 176.094 -0.114 0.000 1.073 7 V CA -0.462 61.783 62.300 -0.091 0.000 0.956 7 V CB 1.523 33.269 31.823 -0.128 0.000 1.023 7 V HN 0.878 nan 8.190 nan 0.000 0.435 8 T N 2.603 117.085 114.554 -0.120 0.000 2.869 8 T HA 0.576 4.926 4.350 0.000 0.000 0.295 8 T C 1.003 175.559 174.700 -0.239 0.000 0.987 8 T CA 0.486 62.511 62.100 -0.124 0.000 1.109 8 T CB 1.594 70.448 68.868 -0.025 0.000 0.932 8 T HN 1.148 nan 8.240 nan 0.000 0.518 9 A N 2.544 125.257 122.820 -0.177 0.000 1.984 9 A HA 0.320 4.640 4.320 0.000 0.000 0.203 9 A C 0.852 178.435 177.584 -0.000 0.000 1.292 9 A CA 0.339 52.337 52.037 -0.066 0.000 0.782 9 A CB 0.174 19.134 19.000 -0.067 0.000 0.924 9 A HN 0.596 nan 8.150 nan 0.000 0.475 10 Q N 0.518 120.287 119.800 -0.052 0.000 2.305 10 Q HA 0.486 4.826 4.340 0.000 0.000 0.271 10 Q C -1.195 174.785 176.000 -0.033 0.000 1.046 10 Q CA -0.408 55.376 55.803 -0.032 0.000 0.798 10 Q CB 1.177 29.885 28.738 -0.049 0.000 1.286 10 Q HN 0.286 nan 8.270 nan 0.000 0.435 11 K N 4.086 124.480 120.400 -0.009 0.000 2.276 11 K HA 0.264 4.584 4.320 0.000 0.000 0.259 11 K C -2.137 174.460 176.600 -0.005 0.000 1.001 11 K CA -1.446 54.841 56.287 0.001 0.000 0.927 11 K CB 0.151 32.655 32.500 0.008 0.000 0.969 11 K HN 0.564 nan 8.250 nan 0.000 0.490 12 P HA -0.083 nan 4.420 nan 0.000 0.264 12 P C -0.021 177.279 177.300 -0.000 0.000 1.193 12 P CA 0.430 63.532 63.100 0.003 0.000 0.763 12 P CB 0.682 32.387 31.700 0.009 0.000 0.810 13 T N -1.079 113.474 114.554 -0.001 0.000 2.959 13 T HA 0.313 4.663 4.350 0.000 0.000 0.254 13 T C 0.887 175.596 174.700 0.014 0.000 1.003 13 T CA -0.044 62.060 62.100 0.006 0.000 0.950 13 T CB -0.024 68.845 68.868 0.001 0.000 1.090 13 T HN 0.447 nan 8.240 nan 0.000 0.503 14 A N 1.726 124.550 122.820 0.006 0.000 2.477 14 A HA 0.574 4.894 4.320 0.000 0.000 0.246 14 A C 0.128 177.721 177.584 0.016 0.000 1.078 14 A CA -0.293 51.748 52.037 0.007 0.000 0.770 14 A CB 0.141 19.138 19.000 -0.004 0.000 1.011 14 A HN 0.350 nan 8.150 nan 0.000 0.494 15 V N 3.288 123.220 119.914 0.030 0.000 2.407 15 V HA 0.158 4.278 4.120 0.000 0.000 0.278 15 V C 0.627 176.738 176.094 0.028 0.000 1.037 15 V CA -0.075 62.256 62.300 0.052 0.000 0.900 15 V CB 1.098 32.990 31.823 0.116 0.000 0.983 15 V HN 1.063 nan 8.190 nan 0.000 0.459 16 N N 2.458 121.165 118.700 0.012 0.000 2.348 16 N HA 0.372 5.112 4.740 0.000 0.000 0.183 16 N C 0.450 175.957 175.510 -0.006 0.000 1.094 16 N CA 0.488 53.532 53.050 -0.010 0.000 0.885 16 N CB 0.878 39.342 38.487 -0.038 0.000 1.065 16 N HN 0.800 nan 8.380 nan 0.000 0.472 17 G N -0.186 108.621 108.800 0.011 0.000 2.673 17 G HA2 0.512 4.472 3.960 0.000 0.000 0.292 17 G HA3 0.512 4.472 3.960 0.000 0.000 0.292 17 G C -1.770 173.150 174.900 0.034 0.000 1.450 17 G CA -0.642 44.464 45.100 0.010 0.000 0.837 17 G HN 0.230 nan 8.290 nan 0.000 0.505 18 c N -0.716 117.907 118.600 0.038 0.000 3.094 18 c HA 0.794 5.364 4.570 0.000 0.000 0.414 18 c C -1.061 173.043 174.090 0.023 0.000 0.993 18 c CA -0.864 55.487 56.329 0.037 0.000 1.217 18 c CB 0.683 43.283 42.510 0.150 0.000 1.603 18 c HN 1.091 nan 8.230 nan 0.000 0.564 19 V N 2.197 122.098 119.914 -0.021 0.000 2.962 19 V HA 0.887 5.007 4.120 0.000 0.000 0.313 19 V C -0.133 175.935 176.094 -0.043 0.000 1.099 19 V CA 0.334 62.627 62.300 -0.012 0.000 0.971 19 V CB 2.451 34.262 31.823 -0.020 0.000 1.028 19 V HN 1.189 nan 8.190 nan 0.000 0.430 20 T N 2.992 117.533 114.554 -0.021 0.000 2.885 20 T HA 0.905 5.255 4.350 0.000 0.000 0.285 20 T C -0.130 174.519 174.700 -0.084 0.000 1.019 20 T CA 0.512 62.578 62.100 -0.057 0.000 1.010 20 T CB 1.227 70.077 68.868 -0.030 0.000 1.022 20 T HN 1.589 nan 8.240 nan 0.000 0.466 21 G N 2.367 111.053 108.800 -0.192 0.000 2.404 21 G HA2 0.236 4.197 3.960 0.000 0.000 0.253 21 G HA3 0.236 4.197 3.960 0.000 0.000 0.253 21 G C -1.752 172.883 174.900 -0.441 0.000 1.253 21 G CA -0.712 44.190 45.100 -0.331 0.000 0.917 21 G HN 0.771 nan 8.290 nan 0.000 0.480 22 H N -0.048 119.071 119.070 0.082 0.000 2.423 22 H HA 0.490 5.046 4.556 0.000 0.000 0.237 22 H C 0.018 175.403 175.328 0.095 0.000 1.391 22 H CA -0.413 55.670 56.048 0.060 0.000 1.453 22 H CB 0.910 30.694 29.762 0.036 0.000 1.484 22 H HN 0.350 nan 8.280 nan 0.000 0.505 23 F N 0.291 120.216 119.950 -0.043 0.000 2.592 23 F HA 0.082 4.609 4.527 0.000 0.000 0.280 23 F C 1.686 177.387 175.800 -0.165 0.000 1.083 23 F CA 0.546 58.503 58.000 -0.072 0.000 1.365 23 F CB 0.499 39.450 39.000 -0.082 0.000 1.100 23 F HN 0.218 nan 8.300 nan 0.000 0.633 24 T N 0.181 114.503 114.554 -0.387 0.000 2.770 24 T HA 0.069 4.419 4.350 0.000 0.000 0.263 24 T C 0.633 175.155 174.700 -0.297 0.000 1.039 24 T CA 1.321 62.984 62.100 -0.729 0.000 1.142 24 T CB -0.369 68.135 68.868 -0.607 0.000 0.868 24 T HN 0.386 nan 8.240 nan 0.000 0.435 25 S N -1.365 114.257 115.700 -0.129 0.000 2.661 25 S HA 0.740 5.210 4.470 0.000 0.000 0.268 25 S C 0.796 175.409 174.600 0.022 0.000 1.162 25 S CA -0.354 57.821 58.200 -0.043 0.000 0.817 25 S CB 1.195 64.376 63.200 -0.032 0.000 1.141 25 S HN 0.092 nan 8.310 nan 0.000 0.477 26 A N 0.192 123.012 122.820 -0.001 0.000 1.898 26 A HA 0.271 4.591 4.320 0.000 0.000 0.214 26 A C 0.435 177.985 177.584 -0.056 0.000 1.183 26 A CA 0.907 52.917 52.037 -0.044 0.000 0.622 26 A CB -0.898 18.054 19.000 -0.080 0.000 0.824 26 A HN 0.809 nan 8.150 nan 0.000 0.444 27 E N 1.584 121.772 120.200 -0.020 0.000 1.932 27 E HA 0.505 4.855 4.350 0.000 0.000 0.275 27 E C -1.363 175.261 176.600 0.041 0.000 1.159 27 E CA 0.064 56.467 56.400 0.005 0.000 0.905 27 E CB 0.167 29.865 29.700 -0.004 0.000 1.059 27 E HN 0.289 nan 8.360 nan 0.000 0.400 28 D N 1.232 121.696 120.400 0.106 0.000 2.719 28 D HA 0.077 4.717 4.640 0.000 0.000 0.220 28 D C -2.118 174.286 176.300 0.172 0.000 0.947 28 D CA -0.530 53.525 54.000 0.092 0.000 0.893 28 D CB 0.487 41.303 40.800 0.027 0.000 3.712 28 D HN 0.258 nan 8.370 nan 0.000 0.469 29 L N 3.019 124.270 121.223 0.047 0.000 2.343 29 L HA 0.617 4.957 4.340 0.000 0.000 0.278 29 L C -0.981 175.836 176.870 -0.089 0.000 0.996 29 L CA -0.234 54.565 54.840 -0.069 0.000 0.831 29 L CB 1.094 43.128 42.059 -0.042 0.000 1.232 29 L HN 0.285 nan 8.230 nan 0.000 0.413 30 N N 4.304 122.927 118.700 -0.129 0.000 2.477 30 N HA 0.587 5.327 4.740 0.000 0.000 0.284 30 N C -1.412 174.042 175.510 -0.094 0.000 1.182 30 N CA -0.512 52.489 53.050 -0.080 0.000 0.949 30 N CB 2.462 40.924 38.487 -0.042 0.000 1.204 30 N HN 0.569 nan 8.380 nan 0.000 0.526 31 L N 1.157 122.338 121.223 -0.070 0.000 2.404 31 L HA 0.444 4.784 4.340 0.000 0.000 0.272 31 L C -1.834 174.987 176.870 -0.081 0.000 0.980 31 L CA -0.611 54.160 54.840 -0.116 0.000 0.836 31 L CB 1.092 43.020 42.059 -0.219 0.000 1.238 31 L HN 0.252 nan 8.230 nan 0.000 0.408 32 L N 6.481 127.635 121.223 -0.115 0.000 2.257 32 L HA 0.483 4.823 4.340 0.000 0.000 0.290 32 L C -0.221 176.580 176.870 -0.114 0.000 1.044 32 L CA 0.146 54.917 54.840 -0.115 0.000 0.810 32 L CB 1.178 43.128 42.059 -0.182 0.000 1.193 32 L HN 0.536 nan 8.230 nan 0.000 0.425 33 I N 3.309 123.828 120.570 -0.085 0.000 2.312 33 I HA 0.478 4.648 4.170 0.000 0.000 0.290 33 I C 0.337 176.429 176.117 -0.042 0.000 1.008 33 I CA -0.406 60.850 61.300 -0.074 0.000 1.226 33 I CB 1.412 39.361 38.000 -0.085 0.000 1.371 33 I HN 0.691 nan 8.210 nan 0.000 0.468 34 A N 7.747 130.548 122.820 -0.032 0.000 2.301 34 A HA 0.490 4.811 4.320 0.000 0.000 0.298 34 A C 0.453 178.024 177.584 -0.022 0.000 1.185 34 A CA -0.516 51.494 52.037 -0.045 0.000 0.830 34 A CB 0.663 19.626 19.000 -0.062 0.000 1.112 34 A HN 0.702 nan 8.150 nan 0.000 0.508 35 K N 1.519 121.900 120.400 -0.032 0.000 2.878 35 K HA 0.129 4.449 4.320 0.000 0.000 0.204 35 K C 0.888 177.464 176.600 -0.040 0.000 1.093 35 K CA 0.728 57.003 56.287 -0.021 0.000 1.250 35 K CB -0.182 32.310 32.500 -0.013 0.000 1.692 35 K HN 0.716 nan 8.250 nan 0.000 0.470 36 N N -0.365 118.308 118.700 -0.045 0.000 3.419 36 N HA -0.065 4.675 4.740 0.000 0.000 0.224 36 N C 1.148 176.607 175.510 -0.085 0.000 1.114 36 N CA 1.530 54.543 53.050 -0.062 0.000 1.144 36 N CB -0.060 38.403 38.487 -0.039 0.000 1.459 36 N HN 0.195 nan 8.380 nan 0.000 0.632 37 T N -1.181 113.338 114.554 -0.058 0.000 3.086 37 T HA 0.405 4.755 4.350 0.000 0.000 0.250 37 T C 0.481 175.119 174.700 -0.103 0.000 1.074 37 T CA -0.041 61.997 62.100 -0.104 0.000 0.988 37 T CB 0.174 69.036 68.868 -0.010 0.000 0.988 37 T HN -0.001 nan 8.240 nan 0.000 0.530 38 R N 0.779 121.236 120.500 -0.072 0.000 2.664 38 R HA 0.698 5.038 4.340 0.000 0.000 0.286 38 R C -1.444 174.808 176.300 -0.079 0.000 0.967 38 R CA -0.987 55.072 56.100 -0.068 0.000 0.933 38 R CB 2.017 32.293 30.300 -0.039 0.000 1.146 38 R HN 0.187 nan 8.270 nan 0.000 0.468 39 L N 1.003 122.175 121.223 -0.084 0.000 2.381 39 L HA 0.422 4.762 4.340 0.000 0.000 0.274 39 L C -0.896 175.920 176.870 -0.089 0.000 0.988 39 L CA -0.227 54.560 54.840 -0.088 0.000 0.824 39 L CB 1.926 43.928 42.059 -0.095 0.000 1.263 39 L HN 0.572 nan 8.230 nan 0.000 0.410 40 E N 5.390 125.535 120.200 -0.091 0.000 2.165 40 E HA 0.538 4.888 4.350 0.000 0.000 0.266 40 E C -1.158 175.329 176.600 -0.187 0.000 0.889 40 E CA -0.338 55.971 56.400 -0.153 0.000 0.756 40 E CB 1.603 31.280 29.700 -0.040 0.000 1.131 40 E HN 0.553 nan 8.360 nan 0.000 0.411 41 I N 4.061 124.450 120.570 -0.301 0.000 2.355 41 I HA 0.352 4.522 4.170 0.000 0.000 0.288 41 I C -0.871 174.997 176.117 -0.415 0.000 0.999 41 I CA -0.792 60.385 61.300 -0.204 0.000 1.163 41 I CB 0.336 38.332 38.000 -0.006 0.000 1.316 41 I HN 0.446 nan 8.210 nan 0.000 0.454 42 Y N 4.387 124.616 120.300 -0.118 0.000 2.549 42 Y HA 0.583 5.133 4.550 -0.000 0.000 0.339 42 Y C 0.059 175.892 175.900 -0.111 0.000 1.053 42 Y CA -1.115 56.912 58.100 -0.121 0.000 1.105 42 Y CB 1.965 40.320 38.460 -0.175 0.000 1.258 42 Y HN 0.170 nan 8.280 nan 0.000 0.478 43 V N 2.662 122.617 119.914 0.068 0.000 2.398 43 V HA 0.274 4.394 4.120 0.000 0.000 0.286 43 V C -0.355 175.749 176.094 0.017 0.000 1.026 43 V CA -1.149 61.158 62.300 0.012 0.000 0.868 43 V CB 1.247 33.065 31.823 -0.008 0.000 0.982 43 V HN 0.544 nan 8.190 nan 0.000 0.443 44 V N 5.335 125.240 119.914 -0.015 0.000 2.493 44 V HA 0.230 4.350 4.120 0.000 0.000 0.292 44 V C 0.845 176.932 176.094 -0.011 0.000 1.016 44 V CA 0.427 62.711 62.300 -0.027 0.000 1.097 44 V CB 0.571 32.363 31.823 -0.052 0.000 0.947 44 V HN 1.104 nan 8.190 nan 0.000 0.479 45 T N 1.887 116.438 114.554 -0.005 0.000 2.930 45 T HA 0.676 5.026 4.350 0.000 0.000 0.290 45 T C 1.195 175.894 174.700 -0.001 0.000 1.052 45 T CA -0.162 61.940 62.100 0.003 0.000 1.017 45 T CB 1.973 70.850 68.868 0.016 0.000 1.137 45 T HN 0.678 nan 8.240 nan 0.000 0.511 46 A N 1.155 123.977 122.820 0.003 0.000 1.971 46 A HA -0.250 4.070 4.320 0.000 0.000 0.222 46 A C 2.043 179.630 177.584 0.004 0.000 1.182 46 A CA 2.591 54.630 52.037 0.003 0.000 0.649 46 A CB -1.147 17.858 19.000 0.008 0.000 0.818 46 A HN 1.049 nan 8.150 nan 0.000 0.458 47 E N -2.048 118.159 120.200 0.010 0.000 2.086 47 E HA 0.393 4.743 4.350 0.000 0.000 0.190 47 E C 1.262 177.872 176.600 0.016 0.000 0.975 47 E CA 1.075 57.484 56.400 0.014 0.000 0.813 47 E CB -0.316 29.397 29.700 0.021 0.000 0.768 47 E HN 0.635 nan 8.360 nan 0.000 0.457 48 G N -0.104 108.706 108.800 0.016 0.000 2.528 48 G HA2 0.257 4.217 3.960 0.000 0.000 0.078 48 G HA3 0.257 4.217 3.960 0.000 0.000 0.078 48 G C -1.545 173.355 174.900 0.000 0.000 1.008 48 G CA -0.439 44.673 45.100 0.019 0.000 1.309 48 G HN 0.028 nan 8.290 nan 0.000 0.564 49 L N 1.304 122.527 121.223 -0.001 0.000 2.356 49 L HA 0.619 4.959 4.340 0.000 0.000 0.277 49 L C 0.241 177.176 176.870 0.109 0.000 0.996 49 L CA -0.738 54.099 54.840 -0.006 0.000 0.822 49 L CB 1.478 43.380 42.059 -0.261 0.000 1.256 49 L HN 0.640 nan 8.230 nan 0.000 0.413 50 R N 4.797 125.373 120.500 0.126 0.000 2.220 50 R HA 0.347 4.687 4.340 0.000 0.000 0.340 50 R C -2.286 174.100 176.300 0.143 0.000 1.076 50 R CA -1.448 54.721 56.100 0.115 0.000 0.920 50 R CB 0.772 31.108 30.300 0.059 0.000 1.062 50 R HN 0.286 nan 8.270 nan 0.000 0.469 51 P HA -0.121 nan 4.420 nan 0.000 0.261 51 P C 0.131 177.371 177.300 -0.101 0.000 1.203 51 P CA 0.175 63.220 63.100 -0.092 0.000 0.767 51 P CB 1.232 32.911 31.700 -0.034 0.000 0.785 52 V N 3.305 123.112 119.914 -0.178 0.000 2.840 52 V HA 0.351 4.471 4.120 0.000 0.000 0.234 52 V C 0.074 176.142 176.094 -0.043 0.000 1.159 52 V CA 1.184 63.446 62.300 -0.064 0.000 1.194 52 V CB 0.116 31.924 31.823 -0.026 0.000 0.971 52 V HN 0.287 nan 8.190 nan 0.000 0.494 53 K N 0.984 121.330 120.400 -0.091 0.000 2.535 53 K HA 0.467 4.787 4.320 0.000 0.000 0.251 53 K C -1.245 175.291 176.600 -0.107 0.000 0.942 53 K CA -0.328 55.939 56.287 -0.034 0.000 0.798 53 K CB 1.685 34.257 32.500 0.119 0.000 1.267 53 K HN 0.361 nan 8.250 nan 0.000 0.434 54 E N 4.030 124.171 120.200 -0.099 0.000 2.191 54 E HA 0.399 4.749 4.350 0.000 0.000 0.263 54 E C -1.045 175.517 176.600 -0.063 0.000 0.881 54 E CA -0.699 55.641 56.400 -0.101 0.000 0.757 54 E CB 1.581 31.211 29.700 -0.116 0.000 1.147 54 E HN 0.509 nan 8.360 nan 0.000 0.414 55 V N 0.774 120.651 119.914 -0.062 0.000 3.181 55 V HA 0.964 5.084 4.120 0.000 0.000 0.314 55 V C 0.103 176.147 176.094 -0.084 0.000 1.173 55 V CA -0.518 61.740 62.300 -0.069 0.000 1.052 55 V CB 1.572 33.349 31.823 -0.076 0.000 1.123 55 V HN 0.571 nan 8.190 nan 0.000 0.454 56 G N 0.395 109.128 108.800 -0.112 0.000 2.432 56 G HA2 0.684 4.644 3.960 0.000 0.000 0.331 56 G HA3 0.684 4.644 3.960 0.000 0.000 0.331 56 G C -0.905 173.846 174.900 -0.247 0.000 1.170 56 G CA -0.982 44.033 45.100 -0.141 0.000 0.943 56 G HN 0.738 nan 8.290 nan 0.000 0.483 57 M N 0.046 119.482 119.600 -0.273 0.000 2.705 57 M HA 0.319 4.799 4.480 0.000 0.000 0.311 57 M C -1.053 174.948 176.300 -0.499 0.000 1.214 57 M CA -0.791 54.286 55.300 -0.371 0.000 0.920 57 M CB 2.407 34.831 32.600 -0.292 0.000 1.687 57 M HN 0.463 nan 8.290 nan 0.000 0.481 58 Y N 0.833 120.795 120.300 -0.563 0.000 2.880 58 Y HA 0.565 5.115 4.550 0.000 0.000 0.386 58 Y C 0.640 175.599 175.900 -1.569 0.000 1.172 58 Y CA -0.665 56.749 58.100 -1.143 0.000 1.770 58 Y CB -0.179 38.017 38.460 -0.440 0.000 1.809 58 Y HN 0.750 nan 8.280 nan 0.000 0.472 59 G N 0.221 108.044 108.800 -1.627 0.000 2.340 59 G HA2 0.157 4.117 3.960 0.000 0.000 0.298 59 G HA3 0.157 4.117 3.960 0.000 0.000 0.298 59 G C -1.491 173.054 174.900 -0.591 0.000 1.498 59 G CA -1.315 43.134 45.100 -1.085 0.000 0.847 59 G HN -0.039 nan 8.290 nan 0.000 0.594 60 K N 1.085 121.330 120.400 -0.259 0.000 2.349 60 K HA 0.253 4.573 4.320 0.000 0.000 0.289 60 K C 0.280 176.768 176.600 -0.186 0.000 1.064 60 K CA -0.253 55.936 56.287 -0.164 0.000 0.947 60 K CB 1.535 33.963 32.500 -0.120 0.000 1.007 60 K HN 0.387 nan 8.250 nan 0.000 0.478 61 I N 2.719 123.181 120.570 -0.179 0.000 2.664 61 I HA -0.145 4.025 4.170 0.000 0.000 0.284 61 I C 1.185 177.209 176.117 -0.155 0.000 1.154 61 I CA 0.413 61.608 61.300 -0.176 0.000 1.402 61 I CB 0.759 38.663 38.000 -0.160 0.000 1.395 61 I HN 0.758 nan 8.210 nan 0.000 0.545 62 A N 6.066 128.783 122.820 -0.171 0.000 2.138 62 A HA 0.403 4.723 4.320 0.000 0.000 0.203 62 A C 0.419 177.932 177.584 -0.118 0.000 1.286 62 A CA 0.223 52.172 52.037 -0.147 0.000 0.929 62 A CB 0.640 19.531 19.000 -0.181 0.000 0.975 62 A HN 0.423 nan 8.150 nan 0.000 0.480 63 V N 0.564 120.394 119.914 -0.141 0.000 2.709 63 V HA 0.597 4.717 4.120 0.000 0.000 0.308 63 V C -0.690 175.327 176.094 -0.128 0.000 1.062 63 V CA -0.244 62.006 62.300 -0.083 0.000 0.901 63 V CB 1.635 33.456 31.823 -0.002 0.000 1.003 63 V HN 0.516 nan 8.190 nan 0.000 0.425 64 M N 4.309 123.882 119.600 -0.044 0.000 2.122 64 M HA 0.607 5.087 4.480 0.000 0.000 0.269 64 M C -1.814 174.512 176.300 0.043 0.000 0.954 64 M CA -0.119 55.152 55.300 -0.049 0.000 0.998 64 M CB 1.522 34.069 32.600 -0.089 0.000 1.755 64 M HN 0.603 nan 8.290 nan 0.000 0.459 65 E N 4.074 124.357 120.200 0.137 0.000 2.340 65 E HA 0.568 4.918 4.350 0.000 0.000 0.273 65 E C -1.666 175.091 176.600 0.261 0.000 0.891 65 E CA -0.551 55.963 56.400 0.190 0.000 0.757 65 E CB 3.014 32.846 29.700 0.221 0.000 1.231 65 E HN 0.797 nan 8.360 nan 0.000 0.439 66 L N 3.210 124.567 121.223 0.223 0.000 2.334 66 L HA 0.609 4.949 4.340 0.000 0.000 0.275 66 L C -0.237 176.876 176.870 0.404 0.000 1.036 66 L CA -0.788 54.207 54.840 0.259 0.000 0.807 66 L CB 0.610 42.732 42.059 0.105 0.000 1.231 66 L HN 0.493 nan 8.230 nan 0.000 0.438 67 F N -0.101 119.917 119.950 0.113 0.000 2.686 67 F HA 0.693 5.220 4.527 -0.000 0.000 0.311 67 F C -1.108 174.756 175.800 0.106 0.000 1.128 67 F CA -1.292 56.766 58.000 0.097 0.000 0.946 67 F CB 1.654 40.688 39.000 0.056 0.000 1.336 67 F HN 0.185 nan 8.300 nan 0.000 0.457 68 R N 1.778 122.341 120.500 0.104 0.000 2.407 68 R HA 0.432 4.772 4.340 0.000 0.000 0.298 68 R C -2.973 173.369 176.300 0.069 0.000 1.166 68 R CA -1.682 54.417 56.100 -0.002 0.000 1.006 68 R CB 1.534 31.866 30.300 0.053 0.000 1.145 68 R HN 0.357 nan 8.270 nan 0.000 0.538 69 P HA 0.018 nan 4.420 nan 0.000 0.274 69 P C -0.771 176.557 177.300 0.046 0.000 1.237 69 P CA -0.711 62.445 63.100 0.093 0.000 0.793 69 P CB 0.569 32.327 31.700 0.096 0.000 0.977 70 K N 0.730 121.161 120.400 0.052 0.000 2.513 70 K HA 0.071 4.392 4.320 0.000 0.000 0.275 70 K C 0.616 177.229 176.600 0.022 0.000 1.025 70 K CA 0.490 56.798 56.287 0.035 0.000 1.125 70 K CB -1.328 31.192 32.500 0.033 0.000 0.843 70 K HN 0.815 nan 8.250 nan 0.000 0.486 71 G N 2.856 111.665 108.800 0.016 0.000 2.325 71 G HA2 -0.244 3.716 3.960 0.000 0.000 0.274 71 G HA3 -0.244 3.716 3.960 0.000 0.000 0.274 71 G C -0.813 174.087 174.900 -0.000 0.000 0.921 71 G CA -0.007 45.097 45.100 0.007 0.000 1.340 71 G HN 0.732 nan 8.290 nan 0.000 0.447 72 E N 0.275 120.471 120.200 -0.007 0.000 2.263 72 E HA 0.339 4.689 4.350 0.000 0.000 0.268 72 E C 1.209 177.797 176.600 -0.020 0.000 0.884 72 E CA -0.055 56.333 56.400 -0.020 0.000 0.766 72 E CB 1.513 31.189 29.700 -0.040 0.000 1.196 72 E HN 0.472 nan 8.360 nan 0.000 0.416 73 S N 2.895 118.582 115.700 -0.022 0.000 2.368 73 S HA -0.149 4.321 4.470 0.000 0.000 0.225 73 S C 0.872 175.458 174.600 -0.023 0.000 1.030 73 S CA 1.006 59.192 58.200 -0.023 0.000 0.999 73 S CB -0.134 63.053 63.200 -0.023 0.000 0.844 73 S HN 0.528 nan 8.310 nan 0.000 0.459 74 K N 0.223 120.610 120.400 -0.021 0.000 2.378 74 K HA 0.572 4.892 4.320 0.000 0.000 0.244 74 K C -1.689 174.914 176.600 0.005 0.000 1.039 74 K CA -0.936 55.350 56.287 -0.001 0.000 0.863 74 K CB 0.655 33.144 32.500 -0.019 0.000 1.326 74 K HN -0.156 nan 8.250 nan 0.000 0.460 75 D N 0.436 120.879 120.400 0.072 0.000 2.360 75 D HA 0.283 4.923 4.640 0.000 0.000 0.242 75 D C -0.323 176.011 176.300 0.057 0.000 1.184 75 D CA -0.058 53.981 54.000 0.066 0.000 0.930 75 D CB 0.552 41.459 40.800 0.179 0.000 1.161 75 D HN 0.344 nan 8.370 nan 0.000 0.447 76 L N 0.655 121.771 121.223 -0.178 0.000 2.303 76 L HA 0.476 4.816 4.340 0.000 0.000 0.266 76 L C -0.831 176.043 176.870 0.007 0.000 1.011 76 L CA -1.234 53.520 54.840 -0.143 0.000 0.818 76 L CB 1.369 43.100 42.059 -0.546 0.000 1.326 76 L HN 0.121 nan 8.230 nan 0.000 0.435 77 L N 1.494 122.850 121.223 0.221 0.000 2.305 77 L HA 0.470 4.810 4.340 0.000 0.000 0.284 77 L C -0.982 176.119 176.870 0.384 0.000 1.013 77 L CA -0.023 54.910 54.840 0.154 0.000 0.819 77 L CB 1.067 43.022 42.059 -0.174 0.000 1.227 77 L HN 0.295 nan 8.230 nan 0.000 0.417 78 F N 6.429 126.556 119.950 0.295 0.000 2.420 78 F HA 0.709 5.236 4.527 0.000 0.000 0.342 78 F C -0.706 175.120 175.800 0.044 0.000 1.113 78 F CA -0.756 57.354 58.000 0.183 0.000 1.059 78 F CB 0.765 39.792 39.000 0.046 0.000 1.128 78 F HN 0.335 nan 8.300 nan 0.000 0.475 79 I N 6.842 126.821 120.570 -0.985 0.000 2.722 79 I HA 0.360 4.530 4.170 0.000 0.000 0.295 79 I C -1.825 173.715 176.117 -0.961 0.000 1.161 79 I CA -1.088 59.739 61.300 -0.788 0.000 1.032 79 I CB 2.333 40.112 38.000 -0.368 0.000 1.244 79 I HN 0.483 nan 8.210 nan 0.000 0.421 80 L N 5.772 126.602 121.223 -0.655 0.000 2.439 80 L HA 0.531 4.871 4.340 0.000 0.000 0.270 80 L C 0.021 176.722 176.870 -0.282 0.000 0.972 80 L CA 0.034 54.620 54.840 -0.423 0.000 0.836 80 L CB 1.917 43.792 42.059 -0.306 0.000 1.255 80 L HN 0.752 nan 8.230 nan 0.000 0.404 81 T N 1.431 115.853 114.554 -0.221 0.000 2.881 81 T HA 0.610 4.960 4.350 0.000 0.000 0.278 81 T C 1.168 175.711 174.700 -0.262 0.000 0.982 81 T CA -0.089 61.887 62.100 -0.206 0.000 0.989 81 T CB 1.417 70.195 68.868 -0.149 0.000 1.058 81 T HN 0.767 nan 8.240 nan 0.000 0.529 82 A N 0.365 123.038 122.820 -0.245 0.000 2.121 82 A HA 0.049 4.369 4.320 0.000 0.000 0.218 82 A C 1.997 179.334 177.584 -0.412 0.000 1.154 82 A CA 0.842 52.680 52.037 -0.332 0.000 0.679 82 A CB -0.637 18.263 19.000 -0.166 0.000 0.795 82 A HN 0.852 nan 8.150 nan 0.000 0.458 83 K N -1.773 118.522 120.400 -0.176 0.000 2.417 83 K HA 0.225 4.545 4.320 0.000 0.000 0.196 83 K C -0.895 175.922 176.600 0.363 0.000 1.023 83 K CA -0.114 56.206 56.287 0.055 0.000 1.122 83 K CB 0.030 32.577 32.500 0.079 0.000 0.850 83 K HN 0.479 nan 8.250 nan 0.000 0.521 84 Y N -1.477 118.872 120.300 0.081 0.000 4.545 84 Y HA -0.241 4.309 4.550 -0.000 0.000 0.244 84 Y C -0.790 175.133 175.900 0.039 0.000 1.121 84 Y CA -0.265 57.870 58.100 0.057 0.000 2.110 84 Y CB -2.900 35.612 38.460 0.088 0.000 1.623 84 Y HN 0.170 nan 8.280 nan 0.000 0.711 85 N N 1.344 120.103 118.700 0.098 0.000 2.411 85 N HA 0.576 5.316 4.740 0.000 0.000 0.259 85 N C -0.018 175.473 175.510 -0.031 0.000 1.103 85 N CA 0.390 53.453 53.050 0.022 0.000 0.954 85 N CB 0.952 39.452 38.487 0.022 0.000 1.085 85 N HN 0.436 nan 8.380 nan 0.000 0.485 86 A N 1.620 124.441 122.820 0.002 0.000 2.337 86 A HA 0.794 5.114 4.320 0.000 0.000 0.329 86 A C -0.313 177.301 177.584 0.050 0.000 1.146 86 A CA -0.683 51.356 52.037 0.002 0.000 0.800 86 A CB 0.427 19.526 19.000 0.166 0.000 1.220 86 A HN 0.886 nan 8.150 nan 0.000 0.472 87 C N 0.567 119.877 119.300 0.018 0.000 3.171 87 C HA 0.738 5.198 4.460 0.000 0.000 0.336 87 C C -0.783 174.325 174.990 0.196 0.000 1.198 87 C CA -0.854 58.243 59.018 0.132 0.000 1.319 87 C CB -0.255 27.537 27.740 0.088 0.000 1.682 87 C HN 0.770 nan 8.230 nan 0.000 0.497 88 I N 2.399 123.139 120.570 0.283 0.000 2.365 88 I HA 0.505 4.675 4.170 0.000 0.000 0.291 88 I C -0.240 176.007 176.117 0.217 0.000 1.004 88 I CA -0.209 61.300 61.300 0.349 0.000 1.311 88 I CB 1.136 39.389 38.000 0.421 0.000 1.401 88 I HN 0.555 nan 8.210 nan 0.000 0.491 89 L N 6.258 127.613 121.223 0.221 0.000 2.333 89 L HA 0.585 4.926 4.340 0.000 0.000 0.269 89 L C -0.310 176.730 176.870 0.284 0.000 1.010 89 L CA -0.590 54.367 54.840 0.196 0.000 0.818 89 L CB 2.068 44.228 42.059 0.168 0.000 1.306 89 L HN 0.570 nan 8.230 nan 0.000 0.430 90 E N 0.766 121.081 120.200 0.193 0.000 2.317 90 E HA 0.257 4.607 4.350 0.000 0.000 0.270 90 E C -1.944 174.607 176.600 -0.081 0.000 0.885 90 E CA -0.737 55.710 56.400 0.078 0.000 0.760 90 E CB 2.446 32.146 29.700 0.001 0.000 1.227 90 E HN 0.465 nan 8.360 nan 0.000 0.434 91 Y N 3.364 123.331 120.300 -0.555 0.000 2.383 91 Y HA 0.307 4.857 4.550 0.000 0.000 0.344 91 Y C -0.685 175.023 175.900 -0.319 0.000 0.986 91 Y CA -0.141 57.615 58.100 -0.574 0.000 1.175 91 Y CB 0.717 38.520 38.460 -1.095 0.000 1.152 91 Y HN 0.300 nan 8.280 nan 0.000 0.511 92 K N 5.348 125.448 120.400 -0.501 0.000 2.463 92 K HA 0.183 4.503 4.320 0.000 0.000 0.255 92 K C 0.054 176.434 176.600 -0.367 0.000 0.942 92 K CA -0.455 55.655 56.287 -0.295 0.000 0.814 92 K CB 1.730 34.115 32.500 -0.191 0.000 1.122 92 K HN 0.844 nan 8.250 nan 0.000 0.425 93 Q N 1.534 121.222 119.800 -0.185 0.000 2.259 93 Q HA 0.137 4.477 4.340 0.000 0.000 0.201 93 Q C -0.519 175.426 176.000 -0.091 0.000 0.938 93 Q CA 0.279 56.005 55.803 -0.128 0.000 0.872 93 Q CB 0.443 29.199 28.738 0.030 0.000 0.971 93 Q HN 0.752 nan 8.270 nan 0.000 0.494 94 S N 1.080 116.737 115.700 -0.071 0.000 4.667 94 S HA -0.006 4.464 4.470 0.000 0.000 0.551 94 S C 0.333 174.904 174.600 -0.049 0.000 0.855 94 S CA 0.778 58.946 58.200 -0.053 0.000 1.181 94 S CB -1.152 62.014 63.200 -0.057 0.000 1.890 94 S HN 0.807 nan 8.310 nan 0.000 0.374 95 G N 3.891 112.671 108.800 -0.033 0.000 2.451 95 G HA2 -0.146 3.814 3.960 0.000 0.000 0.208 95 G HA3 -0.146 3.814 3.960 0.000 0.000 0.208 95 G C -0.151 174.735 174.900 -0.024 0.000 1.248 95 G CA 0.068 45.152 45.100 -0.028 0.000 0.989 95 G HN 0.562 nan 8.290 nan 0.000 0.559 96 E N 0.150 120.337 120.200 -0.022 0.000 2.501 96 E HA 0.380 4.730 4.350 0.000 0.000 0.201 96 E C 0.653 177.244 176.600 -0.014 0.000 1.016 96 E CA 0.569 56.959 56.400 -0.017 0.000 0.920 96 E CB 0.597 30.285 29.700 -0.021 0.000 1.023 96 E HN 0.712 nan 8.360 nan 0.000 0.474 97 S N 0.221 115.906 115.700 -0.026 0.000 2.451 97 S HA 0.567 5.037 4.470 0.000 0.000 0.301 97 S C -0.195 174.361 174.600 -0.073 0.000 1.116 97 S CA -0.897 57.284 58.200 -0.033 0.000 1.093 97 S CB 1.289 64.472 63.200 -0.029 0.000 1.017 97 S HN -0.038 nan 8.310 nan 0.000 0.482 98 I N 2.373 122.887 120.570 -0.092 0.000 2.428 98 I HA 0.475 4.645 4.170 0.000 0.000 0.296 98 I C 0.055 176.038 176.117 -0.224 0.000 0.985 98 I CA -0.077 61.101 61.300 -0.203 0.000 1.260 98 I CB 1.100 38.980 38.000 -0.200 0.000 1.389 98 I HN 0.642 nan 8.210 nan 0.000 0.484 99 D N 5.855 126.060 120.400 -0.324 0.000 2.896 99 D HA 0.446 5.086 4.640 0.000 0.000 0.241 99 D C -0.801 175.327 176.300 -0.287 0.000 1.188 99 D CA -0.228 53.627 54.000 -0.241 0.000 0.879 99 D CB 2.659 43.360 40.800 -0.164 0.000 1.553 99 D HN 0.291 nan 8.370 nan 0.000 0.515 100 I N 3.385 123.849 120.570 -0.177 0.000 2.310 100 I HA 0.201 4.371 4.170 0.000 0.000 0.287 100 I C -0.054 176.027 176.117 -0.059 0.000 1.073 100 I CA -0.620 60.619 61.300 -0.100 0.000 1.216 100 I CB 0.820 38.816 38.000 -0.006 0.000 1.415 100 I HN 0.181 nan 8.210 nan 0.000 0.480 101 I N 5.509 126.044 120.570 -0.059 0.000 2.488 101 I HA 0.274 4.444 4.170 0.000 0.000 0.299 101 I C 0.305 176.417 176.117 -0.009 0.000 0.984 101 I CA 0.243 61.516 61.300 -0.046 0.000 1.250 101 I CB 1.637 39.601 38.000 -0.060 0.000 1.389 101 I HN 0.345 nan 8.210 nan 0.000 0.488 102 T N 7.573 122.110 114.554 -0.027 0.000 2.739 102 T HA 0.268 4.618 4.350 0.000 0.000 0.298 102 T C 1.349 176.050 174.700 0.002 0.000 0.929 102 T CA -0.441 61.650 62.100 -0.015 0.000 1.014 102 T CB 0.450 69.266 68.868 -0.087 0.000 0.914 102 T HN 0.439 nan 8.240 nan 0.000 0.509 103 R N 1.849 122.378 120.500 0.049 0.000 2.075 103 R HA 0.167 4.507 4.340 0.000 0.000 0.232 103 R C 0.844 177.199 176.300 0.090 0.000 1.126 103 R CA 0.575 56.714 56.100 0.065 0.000 0.963 103 R CB -0.315 30.039 30.300 0.090 0.000 0.858 103 R HN 0.743 nan 8.270 nan 0.000 0.435 104 A N 0.286 123.184 122.820 0.131 0.000 2.605 104 A HA 0.568 4.888 4.320 0.000 0.000 0.294 104 A C -1.327 176.418 177.584 0.268 0.000 1.062 104 A CA -0.767 51.385 52.037 0.192 0.000 0.682 104 A CB 1.369 20.475 19.000 0.176 0.000 1.278 104 A HN 0.473 nan 8.150 nan 0.000 0.410 105 H N -0.482 118.625 119.070 0.062 0.000 3.003 105 H HA 0.843 5.399 4.556 -0.000 0.000 0.327 105 H C -0.539 174.808 175.328 0.030 0.000 1.353 105 H CA -0.728 55.347 56.048 0.045 0.000 1.142 105 H CB 1.071 30.845 29.762 0.020 0.000 1.864 105 H HN 2.206 nan 8.280 nan 0.000 0.529 106 G N 0.544 109.204 108.800 -0.233 0.000 2.355 106 G HA2 0.139 4.099 3.960 0.000 0.000 0.296 106 G HA3 0.139 4.099 3.960 0.000 0.000 0.296 106 G C -1.901 172.918 174.900 -0.135 0.000 1.507 106 G CA -0.922 44.005 45.100 -0.288 0.000 0.823 106 G HN 0.739 nan 8.290 nan 0.000 0.569 107 N N 0.237 118.855 118.700 -0.136 0.000 2.422 107 N HA 0.335 5.075 4.740 0.000 0.000 0.266 107 N C 0.680 176.196 175.510 0.011 0.000 1.007 107 N CA -0.229 52.787 53.050 -0.057 0.000 0.941 107 N CB 1.740 40.152 38.487 -0.125 0.000 1.115 107 N HN 0.809 nan 8.380 nan 0.000 0.492 108 V N 1.777 121.741 119.914 0.085 0.000 2.955 108 V HA 0.231 4.351 4.120 0.000 0.000 0.379 108 V C 0.462 176.609 176.094 0.088 0.000 1.288 108 V CA -0.632 61.716 62.300 0.081 0.000 1.358 108 V CB -0.617 31.263 31.823 0.094 0.000 1.406 108 V HN 0.654 nan 8.190 nan 0.000 0.569 109 Q N 0.355 120.182 119.800 0.045 0.000 2.245 109 Q HA 0.463 4.803 4.340 0.000 0.000 0.256 109 Q C -1.392 174.579 176.000 -0.048 0.000 0.942 109 Q CA -0.602 55.143 55.803 -0.097 0.000 0.896 109 Q CB 2.235 30.932 28.738 -0.068 0.000 1.272 109 Q HN 0.535 nan 8.270 nan 0.000 0.442 110 D N 2.360 122.720 120.400 -0.067 0.000 2.269 110 D HA 0.234 4.874 4.640 0.000 0.000 0.244 110 D C 0.300 176.469 176.300 -0.218 0.000 0.992 110 D CA -0.521 53.392 54.000 -0.145 0.000 0.894 110 D CB 1.936 42.608 40.800 -0.213 0.000 1.248 110 D HN 0.524 nan 8.370 nan 0.000 0.468 111 R N 0.363 120.767 120.500 -0.159 0.000 2.057 111 R HA 0.041 4.381 4.340 0.000 0.000 0.229 111 R C 0.678 176.847 176.300 -0.219 0.000 1.136 111 R CA 0.722 56.734 56.100 -0.147 0.000 0.952 111 R CB -0.413 29.835 30.300 -0.086 0.000 0.848 111 R HN 0.542 nan 8.270 nan 0.000 0.430 112 I N -0.409 120.023 120.570 -0.230 0.000 2.494 112 I HA 0.423 4.593 4.170 0.000 0.000 0.289 112 I C 0.056 175.870 176.117 -0.506 0.000 1.106 112 I CA 0.217 61.360 61.300 -0.261 0.000 1.369 112 I CB 0.724 38.623 38.000 -0.167 0.000 1.410 112 I HN 0.113 nan 8.210 nan 0.000 0.523 113 G N 6.028 114.511 108.800 -0.528 0.000 2.174 113 G HA2 0.314 4.274 3.960 0.000 0.000 0.312 113 G HA3 0.314 4.274 3.960 0.000 0.000 0.312 113 G C -1.116 173.636 174.900 -0.247 0.000 1.663 113 G CA -1.286 43.296 45.100 -0.863 0.000 0.920 113 G HN 0.851 nan 8.290 nan 0.000 0.664 114 R N 2.435 122.957 120.500 0.037 0.000 2.247 114 R HA 0.472 4.812 4.340 0.000 0.000 0.329 114 R C -2.718 173.748 176.300 0.276 0.000 1.014 114 R CA -1.789 54.400 56.100 0.148 0.000 0.907 114 R CB 1.631 31.970 30.300 0.064 0.000 1.146 114 R HN 0.162 nan 8.270 nan 0.000 0.499 115 P HA -0.111 nan 4.420 nan 0.000 0.253 115 P C 0.003 177.354 177.300 0.084 0.000 1.170 115 P CA 0.638 63.856 63.100 0.198 0.000 0.806 115 P CB 0.388 32.194 31.700 0.177 0.000 0.775 116 S N 2.126 117.852 115.700 0.043 0.000 2.580 116 S HA -0.003 4.467 4.470 0.000 0.000 0.261 116 S C 0.381 174.953 174.600 -0.046 0.000 1.366 116 S CA -0.720 57.471 58.200 -0.015 0.000 0.996 116 S CB 0.530 63.714 63.200 -0.027 0.000 0.902 116 S HN 0.502 nan 8.310 nan 0.000 0.566 117 E N 0.140 120.274 120.200 -0.110 0.000 2.390 117 E HA 0.132 4.482 4.350 0.000 0.000 0.261 117 E C 0.594 177.166 176.600 -0.047 0.000 1.076 117 E CA 0.739 57.084 56.400 -0.092 0.000 0.905 117 E CB 0.276 29.881 29.700 -0.157 0.000 0.984 117 E HN 1.121 nan 8.360 nan 0.000 0.427 118 T N 0.200 114.748 114.554 -0.010 0.000 5.334 118 T HA -0.234 4.116 4.350 0.000 0.000 0.288 118 T C 0.800 175.499 174.700 -0.001 0.000 1.733 118 T CA 1.393 63.499 62.100 0.010 0.000 2.925 118 T CB -2.527 66.365 68.868 0.039 0.000 1.649 118 T HN 1.522 nan 8.240 nan 0.000 1.007 119 G N 1.454 110.246 108.800 -0.013 0.000 2.574 119 G HA2 -0.239 3.721 3.960 0.000 0.000 0.295 119 G HA3 -0.239 3.721 3.960 0.000 0.000 0.295 119 G C 0.041 174.920 174.900 -0.036 0.000 1.300 119 G CA 0.045 45.131 45.100 -0.023 0.000 0.944 119 G HN 1.369 nan 8.290 nan 0.000 0.551 120 I N 0.736 121.271 120.570 -0.059 0.000 2.441 120 I HA 0.390 4.560 4.170 0.000 0.000 0.287 120 I C 0.506 176.605 176.117 -0.030 0.000 1.049 120 I CA 0.055 61.314 61.300 -0.068 0.000 1.381 120 I CB 0.711 38.636 38.000 -0.126 0.000 1.409 120 I HN 0.286 nan 8.210 nan 0.000 0.523 121 I N 4.960 125.525 120.570 -0.008 0.000 2.465 121 I HA 0.456 4.626 4.170 0.000 0.000 0.291 121 I C 0.323 176.464 176.117 0.040 0.000 1.014 121 I CA -0.369 60.945 61.300 0.022 0.000 1.093 121 I CB 1.978 39.999 38.000 0.035 0.000 1.267 121 I HN 0.624 nan 8.210 nan 0.000 0.431 122 G N 7.710 116.553 108.800 0.073 0.000 2.533 122 G HA2 0.694 4.654 3.960 0.000 0.000 0.310 122 G HA3 0.694 4.654 3.960 0.000 0.000 0.310 122 G C -0.684 174.286 174.900 0.117 0.000 1.266 122 G CA -0.386 44.786 45.100 0.120 0.000 0.967 122 G HN 0.617 nan 8.290 nan 0.000 0.493 123 I N -0.237 120.397 120.570 0.106 0.000 2.693 123 I HA 0.769 4.939 4.170 0.000 0.000 0.303 123 I C -1.039 175.190 176.117 0.188 0.000 1.025 123 I CA -1.547 59.852 61.300 0.166 0.000 1.086 123 I CB 2.506 40.616 38.000 0.183 0.000 1.268 123 I HN 0.182 nan 8.210 nan 0.000 0.440 124 I N 3.121 123.771 120.570 0.133 0.000 2.465 124 I HA 0.236 4.406 4.170 0.000 0.000 0.291 124 I C -0.536 175.507 176.117 -0.123 0.000 1.014 124 I CA -0.425 60.830 61.300 -0.077 0.000 1.093 124 I CB 1.947 39.809 38.000 -0.231 0.000 1.267 124 I HN 0.750 nan 8.210 nan 0.000 0.431 125 D N 7.063 127.080 120.400 -0.639 0.000 2.399 125 D HA 0.125 4.765 4.640 0.000 0.000 0.241 125 D C -1.946 174.153 176.300 -0.335 0.000 1.133 125 D CA -1.186 52.320 54.000 -0.823 0.000 0.890 125 D CB 1.001 41.018 40.800 -1.306 0.000 1.201 125 D HN 0.200 nan 8.370 nan 0.000 0.432 126 P HA -0.125 nan 4.420 nan 0.000 0.219 126 P C 0.411 177.716 177.300 0.009 0.000 1.146 126 P CA 1.154 64.199 63.100 -0.091 0.000 0.808 126 P CB 0.132 31.757 31.700 -0.125 0.000 0.779 127 E N -2.431 117.741 120.200 -0.048 0.000 2.479 127 E HA 0.079 4.429 4.350 0.000 0.000 0.193 127 E C 0.027 176.620 176.600 -0.012 0.000 1.049 127 E CA -0.095 56.302 56.400 -0.005 0.000 0.870 127 E CB -0.292 29.405 29.700 -0.005 0.000 0.944 127 E HN 0.056 nan 8.360 nan 0.000 0.492 128 C N 0.680 119.947 119.300 -0.054 0.000 4.432 128 C HA -0.185 4.275 4.460 0.000 0.000 0.294 128 C C 1.629 176.582 174.990 -0.062 0.000 1.398 128 C CA 0.371 59.370 59.018 -0.033 0.000 1.988 128 C CB -2.256 25.557 27.740 0.122 0.000 1.251 128 C HN 0.509 nan 8.230 nan 0.000 0.791 129 R N -0.035 120.394 120.500 -0.118 0.000 2.119 129 R HA 0.101 4.441 4.340 0.000 0.000 0.222 129 R C 0.848 177.074 176.300 -0.124 0.000 1.088 129 R CA 1.601 57.645 56.100 -0.093 0.000 0.984 129 R CB 0.065 30.316 30.300 -0.081 0.000 0.884 129 R HN 0.864 nan 8.270 nan 0.000 0.447 130 M N -1.743 117.720 119.600 -0.229 0.000 2.682 130 M HA 0.432 4.912 4.480 0.000 0.000 0.272 130 M C -1.575 174.530 176.300 -0.325 0.000 1.232 130 M CA -0.794 54.367 55.300 -0.232 0.000 0.849 130 M CB 2.162 34.675 32.600 -0.146 0.000 1.695 130 M HN -0.250 nan 8.290 nan 0.000 0.481 131 I N 1.374 121.768 120.570 -0.293 0.000 2.404 131 I HA 0.656 4.826 4.170 0.000 0.000 0.293 131 I C 0.162 176.195 176.117 -0.141 0.000 0.992 131 I CA -0.789 60.323 61.300 -0.314 0.000 1.149 131 I CB 2.109 39.729 38.000 -0.632 0.000 1.315 131 I HN 0.930 nan 8.210 nan 0.000 0.446 132 G N 6.490 115.360 108.800 0.116 0.000 2.356 132 G HA2 0.663 4.623 3.960 0.000 0.000 0.322 132 G HA3 0.663 4.623 3.960 0.000 0.000 0.322 132 G C -1.248 173.533 174.900 -0.198 0.000 1.125 132 G CA -0.292 44.785 45.100 -0.039 0.000 0.885 132 G HN 0.274 nan 8.290 nan 0.000 0.467 133 L N 2.076 122.997 121.223 -0.504 0.000 2.381 133 L HA 0.545 4.885 4.340 0.000 0.000 0.274 133 L C -0.114 176.603 176.870 -0.254 0.000 0.988 133 L CA -0.885 53.797 54.840 -0.262 0.000 0.824 133 L CB 2.071 44.003 42.059 -0.211 0.000 1.263 133 L HN 0.421 nan 8.230 nan 0.000 0.410 134 R N 4.411 124.879 120.500 -0.053 0.000 2.287 134 R HA 0.428 4.768 4.340 0.000 0.000 0.316 134 R C -0.090 176.176 176.300 -0.057 0.000 1.050 134 R CA -0.137 55.969 56.100 0.009 0.000 0.983 134 R CB 0.415 30.759 30.300 0.073 0.000 1.140 134 R HN 0.771 nan 8.270 nan 0.000 0.528 135 L N 3.146 124.289 121.223 -0.134 0.000 2.262 135 L HA 0.244 4.584 4.340 0.000 0.000 0.197 135 L C 0.028 176.624 176.870 -0.456 0.000 1.073 135 L CA 0.587 55.211 54.840 -0.361 0.000 0.800 135 L CB -0.194 41.498 42.059 -0.611 0.000 0.987 135 L HN 0.332 nan 8.230 nan 0.000 0.470 136 Y N -0.881 119.448 120.300 0.048 0.000 2.549 136 Y HA 0.352 4.902 4.550 -0.000 0.000 0.339 136 Y C -0.193 175.714 175.900 0.012 0.000 1.053 136 Y CA -1.756 56.358 58.100 0.024 0.000 1.105 136 Y CB 0.450 38.910 38.460 -0.000 0.000 1.258 136 Y HN -0.126 nan 8.280 nan 0.000 0.478 137 D N 0.648 121.147 120.400 0.165 0.000 2.472 137 D HA 0.246 4.886 4.640 0.000 0.000 0.237 137 D C 1.174 177.525 176.300 0.085 0.000 1.141 137 D CA 1.918 55.969 54.000 0.084 0.000 0.875 137 D CB 0.908 41.736 40.800 0.046 0.000 1.192 137 D HN 0.901 nan 8.370 nan 0.000 0.450 138 G N 1.222 110.055 108.800 0.055 0.000 2.179 138 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 138 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 138 G C 0.152 175.094 174.900 0.069 0.000 0.977 138 G CA 0.266 45.392 45.100 0.044 0.000 0.641 138 G HN 0.446 nan 8.290 nan 0.000 0.533 139 L N -1.008 120.280 121.223 0.108 0.000 2.370 139 L HA 0.829 5.169 4.340 0.000 0.000 0.266 139 L C -0.730 176.267 176.870 0.212 0.000 1.002 139 L CA -1.325 53.602 54.840 0.146 0.000 0.818 139 L CB 2.008 44.147 42.059 0.133 0.000 1.325 139 L HN 0.029 nan 8.230 nan 0.000 0.418 140 F N 2.499 122.481 119.950 0.053 0.000 2.493 140 F HA 0.516 5.043 4.527 0.000 0.000 0.329 140 F C -0.263 175.512 175.800 -0.042 0.000 1.126 140 F CA -0.680 57.340 58.000 0.034 0.000 0.937 140 F CB 1.493 40.607 39.000 0.190 0.000 1.146 140 F HN 0.310 nan 8.300 nan 0.000 0.442 141 K N 4.367 124.416 120.400 -0.585 0.000 2.118 141 K HA 0.815 5.135 4.320 0.000 0.000 0.254 141 K C -1.804 174.305 176.600 -0.818 0.000 0.961 141 K CA -0.727 55.239 56.287 -0.535 0.000 0.876 141 K CB 1.697 34.029 32.500 -0.280 0.000 1.077 141 K HN 0.520 nan 8.250 nan 0.000 0.440 142 V N 5.042 124.518 119.914 -0.732 0.000 2.567 142 V HA 0.317 4.437 4.120 0.000 0.000 0.298 142 V C -0.742 175.086 176.094 -0.443 0.000 1.047 142 V CA -0.723 61.163 62.300 -0.691 0.000 0.880 142 V CB 1.492 32.721 31.823 -0.991 0.000 1.009 142 V HN 0.645 nan 8.190 nan 0.000 0.429 143 I N 6.224 126.626 120.570 -0.279 0.000 2.307 143 I HA 0.369 4.539 4.170 0.000 0.000 0.287 143 I C -2.468 173.576 176.117 -0.122 0.000 1.054 143 I CA -1.920 59.285 61.300 -0.159 0.000 1.218 143 I CB 1.397 39.302 38.000 -0.158 0.000 1.398 143 I HN 0.357 nan 8.210 nan 0.000 0.475 144 P HA 0.087 nan 4.420 nan 0.000 0.271 144 P C -0.124 177.164 177.300 -0.021 0.000 1.216 144 P CA -0.290 62.810 63.100 -0.000 0.000 0.771 144 P CB 0.782 32.528 31.700 0.077 0.000 0.864 145 L N 2.989 124.191 121.223 -0.035 0.000 3.001 145 L HA 0.166 4.506 4.340 0.000 0.000 0.234 145 L C 0.133 177.024 176.870 0.034 0.000 1.321 145 L CA 0.128 54.964 54.840 -0.007 0.000 1.138 145 L CB -1.479 40.565 42.059 -0.025 0.000 1.503 145 L HN 0.331 nan 8.230 nan 0.000 0.487 146 D N -2.844 117.574 120.400 0.029 0.000 2.304 146 D HA 0.112 4.752 4.640 0.000 0.000 0.250 146 D C 1.145 177.471 176.300 0.043 0.000 1.107 146 D CA -0.665 53.355 54.000 0.034 0.000 0.885 146 D CB 0.861 41.675 40.800 0.023 0.000 1.192 146 D HN -0.162 nan 8.370 nan 0.000 0.436 147 R N 1.326 121.853 120.500 0.044 0.000 2.276 147 R HA -0.124 4.216 4.340 0.000 0.000 0.243 147 R C 0.048 176.373 176.300 0.043 0.000 1.161 147 R CA 0.892 57.020 56.100 0.046 0.000 1.007 147 R CB -0.421 29.901 30.300 0.036 0.000 0.867 147 R HN 0.670 nan 8.270 nan 0.000 0.472 148 D N 0.043 120.464 120.400 0.036 0.000 2.045 148 D HA -0.081 4.559 4.640 0.000 0.000 0.280 148 D C 0.716 177.043 176.300 0.044 0.000 1.117 148 D CA -0.009 54.012 54.000 0.035 0.000 1.001 148 D CB -0.354 40.462 40.800 0.026 0.000 1.159 148 D HN -0.086 nan 8.370 nan 0.000 0.477 149 N N -0.529 118.194 118.700 0.039 0.000 2.721 149 N HA -0.213 4.527 4.740 0.000 0.000 0.249 149 N C 0.257 175.802 175.510 0.058 0.000 1.072 149 N CA 0.467 53.542 53.050 0.042 0.000 0.710 149 N CB -0.588 37.923 38.487 0.039 0.000 0.993 149 N HN 0.222 nan 8.380 nan 0.000 0.547 150 K N -0.152 120.287 120.400 0.065 0.000 2.283 150 K HA -0.077 4.243 4.320 0.000 0.000 0.202 150 K C 0.976 177.641 176.600 0.109 0.000 1.048 150 K CA 1.272 57.615 56.287 0.093 0.000 0.948 150 K CB -0.001 32.552 32.500 0.088 0.000 0.742 150 K HN 0.551 nan 8.250 nan 0.000 0.458 151 E N 0.524 120.761 120.200 0.062 0.000 2.481 151 E HA 0.031 4.381 4.350 0.000 0.000 0.195 151 E C -0.060 176.535 176.600 -0.010 0.000 1.047 151 E CA 0.056 56.461 56.400 0.008 0.000 0.867 151 E CB 0.064 29.758 29.700 -0.009 0.000 0.858 151 E HN 0.175 nan 8.360 nan 0.000 0.513 152 L N 1.000 122.240 121.223 0.028 0.000 3.548 152 L HA -0.226 4.114 4.340 0.000 0.000 0.443 152 L C -0.433 176.443 176.870 0.011 0.000 1.286 152 L CA 0.088 54.945 54.840 0.029 0.000 0.863 152 L CB -1.403 40.689 42.059 0.055 0.000 1.734 152 L HN 0.049 nan 8.230 nan 0.000 0.873 153 K N 0.853 121.262 120.400 0.015 0.000 2.414 153 K HA 0.548 4.868 4.320 0.000 0.000 0.272 153 K C 0.467 177.088 176.600 0.034 0.000 0.993 153 K CA 0.873 57.172 56.287 0.021 0.000 0.964 153 K CB 0.709 33.226 32.500 0.029 0.000 0.925 153 K HN 0.384 nan 8.250 nan 0.000 0.487 154 A N 2.249 125.090 122.820 0.036 0.000 2.454 154 A HA 0.734 5.054 4.320 0.000 0.000 0.302 154 A C -1.200 176.447 177.584 0.105 0.000 1.079 154 A CA -0.908 51.140 52.037 0.018 0.000 0.731 154 A CB 0.649 19.609 19.000 -0.067 0.000 1.299 154 A HN 0.629 nan 8.150 nan 0.000 0.413 155 F N 0.071 119.982 119.950 -0.064 0.000 2.523 155 F HA 0.784 5.311 4.527 0.000 0.000 0.329 155 F C -0.251 175.507 175.800 -0.069 0.000 1.061 155 F CA -1.029 56.935 58.000 -0.061 0.000 0.967 155 F CB 1.221 40.184 39.000 -0.063 0.000 1.218 155 F HN 0.512 nan 8.300 nan 0.000 0.480 156 N N 0.968 119.662 118.700 -0.009 0.000 2.472 156 N HA 0.637 5.377 4.740 0.000 0.000 0.289 156 N C -1.339 174.198 175.510 0.045 0.000 1.156 156 N CA -0.757 52.252 53.050 -0.068 0.000 0.940 156 N CB 1.980 40.469 38.487 0.004 0.000 1.200 156 N HN 0.574 nan 8.380 nan 0.000 0.511 157 I N 1.127 121.731 120.570 0.057 0.000 2.521 157 I HA 0.230 4.400 4.170 0.000 0.000 0.277 157 I C -0.086 176.160 176.117 0.216 0.000 1.054 157 I CA -0.691 60.673 61.300 0.107 0.000 1.117 157 I CB 1.137 39.059 38.000 -0.131 0.000 1.217 157 I HN 0.424 nan 8.210 nan 0.000 0.469 158 R N 4.548 125.130 120.500 0.136 0.000 2.584 158 R HA -0.076 4.264 4.340 0.000 0.000 0.315 158 R C -0.968 175.405 176.300 0.121 0.000 0.863 158 R CA 0.078 56.243 56.100 0.109 0.000 1.139 158 R CB 0.327 30.661 30.300 0.057 0.000 0.880 158 R HN 0.450 nan 8.270 nan 0.000 0.413 159 L N 4.954 126.225 121.223 0.081 0.000 2.255 159 L HA 0.174 4.514 4.340 0.000 0.000 0.289 159 L C 0.889 177.730 176.870 -0.048 0.000 1.046 159 L CA 0.063 54.887 54.840 -0.028 0.000 0.816 159 L CB 1.378 43.400 42.059 -0.063 0.000 1.197 159 L HN 0.729 nan 8.230 nan 0.000 0.427 160 E N 2.308 122.469 120.200 -0.064 0.000 2.171 160 E HA -0.183 4.167 4.350 0.000 0.000 0.197 160 E C -0.173 176.400 176.600 -0.045 0.000 0.997 160 E CA 1.334 57.712 56.400 -0.036 0.000 0.810 160 E CB 0.213 29.900 29.700 -0.022 0.000 0.738 160 E HN 0.644 nan 8.360 nan 0.000 0.467 161 E N -0.056 120.090 120.200 -0.089 0.000 2.046 161 E HA 0.097 4.447 4.350 0.000 0.000 0.279 161 E C 0.076 176.659 176.600 -0.029 0.000 0.989 161 E CA -0.174 56.155 56.400 -0.117 0.000 0.798 161 E CB 0.875 30.380 29.700 -0.325 0.000 1.086 161 E HN 0.139 nan 8.360 nan 0.000 0.399 162 L N 0.443 121.691 121.223 0.042 0.000 2.599 162 L HA 0.207 4.547 4.340 0.000 0.000 0.230 162 L C 0.501 177.453 176.870 0.138 0.000 1.141 162 L CA 0.741 55.623 54.840 0.070 0.000 0.877 162 L CB -0.851 41.244 42.059 0.061 0.000 1.009 162 L HN 0.428 nan 8.230 nan 0.000 0.447 163 H N 0.688 119.811 119.070 0.088 0.000 2.380 163 H HA 0.502 5.058 4.556 0.000 0.000 0.231 163 H C -1.177 174.246 175.328 0.159 0.000 1.415 163 H CA -0.892 55.223 56.048 0.112 0.000 1.433 163 H CB 0.539 30.370 29.762 0.116 0.000 1.544 163 H HN -0.056 nan 8.280 nan 0.000 0.503 164 V N 5.324 125.431 119.914 0.322 0.000 2.530 164 V HA 0.025 4.146 4.120 0.000 0.000 0.282 164 V C 1.443 177.710 176.094 0.288 0.000 1.048 164 V CA -0.018 62.458 62.300 0.294 0.000 0.997 164 V CB 1.055 32.911 31.823 0.054 0.000 0.987 164 V HN 0.544 nan 8.190 nan 0.000 0.477 165 I N 2.524 123.254 120.570 0.267 0.000 2.296 165 I HA 0.098 4.268 4.170 0.000 0.000 0.242 165 I C 0.727 176.918 176.117 0.123 0.000 1.087 165 I CA 1.360 62.767 61.300 0.178 0.000 1.393 165 I CB 0.154 38.222 38.000 0.113 0.000 1.093 165 I HN 0.748 nan 8.210 nan 0.000 0.421 166 D N -1.536 118.940 120.400 0.126 0.000 2.655 166 D HA 0.548 5.188 4.640 0.000 0.000 0.229 166 D C -1.439 174.927 176.300 0.109 0.000 1.229 166 D CA -0.238 53.819 54.000 0.094 0.000 0.807 166 D CB 2.112 42.956 40.800 0.073 0.000 1.514 166 D HN -0.239 nan 8.370 nan 0.000 0.444 167 V N 2.323 122.275 119.914 0.063 0.000 2.971 167 V HA 0.653 4.773 4.120 0.000 0.000 0.309 167 V C -0.604 175.485 176.094 -0.009 0.000 1.130 167 V CA -0.827 61.488 62.300 0.026 0.000 0.964 167 V CB 2.299 34.078 31.823 -0.074 0.000 1.029 167 V HN 0.444 nan 8.190 nan 0.000 0.427 168 K N 1.895 122.266 120.400 -0.048 0.000 2.508 168 K HA 0.587 4.907 4.320 0.000 0.000 0.260 168 K C -1.319 175.203 176.600 -0.130 0.000 0.949 168 K CA -0.560 55.703 56.287 -0.039 0.000 0.834 168 K CB 2.625 35.147 32.500 0.037 0.000 1.365 168 K HN 0.472 nan 8.250 nan 0.000 0.437 169 F N 1.763 121.706 119.950 -0.011 0.000 2.443 169 F HA 0.149 4.676 4.527 0.000 0.000 0.353 169 F C 0.961 176.697 175.800 -0.107 0.000 1.101 169 F CA -0.545 57.422 58.000 -0.056 0.000 1.226 169 F CB 0.549 39.503 39.000 -0.076 0.000 1.140 169 F HN 0.013 nan 8.300 nan 0.000 0.557 170 L N 4.648 125.948 121.223 0.128 0.000 2.380 170 L HA 0.140 4.480 4.340 0.000 0.000 0.273 170 L C -0.037 176.882 176.870 0.081 0.000 1.138 170 L CA -0.291 54.614 54.840 0.109 0.000 0.832 170 L CB 0.252 42.371 42.059 0.100 0.000 1.124 170 L HN 0.584 nan 8.230 nan 0.000 0.454 171 Y N 0.619 121.039 120.300 0.201 0.000 2.296 171 Y HA 0.264 4.814 4.550 0.000 0.000 0.343 171 Y C 1.476 177.483 175.900 0.179 0.000 1.292 171 Y CA 0.740 58.948 58.100 0.181 0.000 1.490 171 Y CB 0.546 39.118 38.460 0.187 0.000 1.359 171 Y HN 0.812 nan 8.280 nan 0.000 0.599 172 G N 0.405 109.418 108.800 0.355 0.000 2.366 172 G HA2 -0.269 3.691 3.960 0.000 0.000 0.299 172 G HA3 -0.269 3.691 3.960 0.000 0.000 0.299 172 G C -0.788 174.234 174.900 0.203 0.000 1.020 172 G CA -0.001 45.246 45.100 0.245 0.000 1.026 172 G HN 0.622 nan 8.290 nan 0.000 0.512 173 C N -0.184 119.217 119.300 0.168 0.000 2.498 173 C HA 0.549 5.009 4.460 0.000 0.000 0.316 173 C C 1.418 176.468 174.990 0.101 0.000 1.209 173 C CA -0.778 58.320 59.018 0.133 0.000 1.518 173 C CB 1.969 29.781 27.740 0.119 0.000 2.147 173 C HN 0.629 nan 8.230 nan 0.000 0.483 174 Q N 1.391 121.245 119.800 0.090 0.000 2.020 174 Q HA 0.100 4.440 4.340 0.000 0.000 0.198 174 Q C 0.911 176.948 176.000 0.061 0.000 0.974 174 Q CA 1.178 57.024 55.803 0.072 0.000 0.829 174 Q CB -0.228 28.551 28.738 0.068 0.000 0.894 174 Q HN 0.883 nan 8.270 nan 0.000 0.433 175 A N 1.566 124.426 122.820 0.066 0.000 2.312 175 A HA 0.503 4.823 4.320 0.000 0.000 0.328 175 A C -2.315 175.320 177.584 0.084 0.000 1.158 175 A CA -1.613 50.465 52.037 0.067 0.000 0.821 175 A CB 0.223 19.266 19.000 0.073 0.000 1.170 175 A HN -0.021 nan 8.150 nan 0.000 0.490 176 P HA 0.004 nan 4.420 nan 0.000 0.255 176 P C -0.463 176.987 177.300 0.250 0.000 1.151 176 P CA 1.193 64.369 63.100 0.126 0.000 0.767 176 P CB 0.028 31.789 31.700 0.101 0.000 0.736 177 T N 4.704 119.425 114.554 0.280 0.000 2.848 177 T HA 0.519 4.869 4.350 0.000 0.000 0.285 177 T C 0.432 175.218 174.700 0.144 0.000 0.995 177 T CA -0.479 61.725 62.100 0.174 0.000 0.970 177 T CB 1.067 69.943 68.868 0.013 0.000 0.976 177 T HN 0.122 nan 8.240 nan 0.000 0.441 178 I N 1.399 121.952 120.570 -0.029 0.000 2.797 178 I HA 0.592 4.762 4.170 0.000 0.000 0.310 178 I C 0.013 176.018 176.117 -0.187 0.000 0.990 178 I CA -0.578 60.579 61.300 -0.237 0.000 1.228 178 I CB 1.250 39.040 38.000 -0.351 0.000 1.406 178 I HN 0.601 nan 8.210 nan 0.000 0.534 179 C N 6.037 125.256 119.300 -0.135 0.000 2.752 179 C HA 0.708 5.168 4.460 0.000 0.000 0.360 179 C C -1.162 173.832 174.990 0.006 0.000 1.081 179 C CA -0.576 58.362 59.018 -0.133 0.000 1.272 179 C CB 0.264 27.933 27.740 -0.117 0.000 1.754 179 C HN 0.658 nan 8.230 nan 0.000 0.483 180 F N 4.016 123.844 119.950 -0.203 0.000 2.665 180 F HA 0.786 5.313 4.527 0.000 0.000 0.308 180 F C -1.507 174.267 175.800 -0.045 0.000 1.112 180 F CA -1.020 56.903 58.000 -0.128 0.000 0.972 180 F CB 0.777 39.681 39.000 -0.160 0.000 1.295 180 F HN 0.313 nan 8.300 nan 0.000 0.440 181 V N 3.372 123.328 119.914 0.071 0.000 2.481 181 V HA 0.541 4.661 4.120 0.000 0.000 0.286 181 V C -0.794 175.437 176.094 0.229 0.000 1.042 181 V CA -0.617 61.671 62.300 -0.020 0.000 0.928 181 V CB 1.253 33.036 31.823 -0.067 0.000 0.986 181 V HN 0.870 nan 8.190 nan 0.000 0.462 182 Y N 1.854 122.175 120.300 0.036 0.000 2.609 182 Y HA 0.805 5.355 4.550 -0.000 0.000 0.342 182 Y C -0.604 175.309 175.900 0.022 0.000 1.058 182 Y CA -1.296 56.879 58.100 0.126 0.000 1.055 182 Y CB 1.747 40.370 38.460 0.272 0.000 1.292 182 Y HN 0.517 nan 8.280 nan 0.000 0.476 183 Q N 1.912 121.750 119.800 0.064 0.000 2.337 183 Q HA 0.483 4.823 4.340 0.000 0.000 0.266 183 Q C -1.714 174.321 176.000 0.058 0.000 1.023 183 Q CA -0.629 55.099 55.803 -0.126 0.000 0.829 183 Q CB 1.803 30.299 28.738 -0.403 0.000 1.306 183 Q HN 0.882 nan 8.270 nan 0.000 0.449 184 D N 2.170 122.625 120.400 0.091 0.000 2.904 184 D HA 0.574 5.215 4.640 0.000 0.000 0.290 184 D C -2.642 173.695 176.300 0.063 0.000 1.180 184 D CA -1.760 52.317 54.000 0.128 0.000 1.065 184 D CB -0.120 40.807 40.800 0.212 0.000 1.386 184 D HN 0.236 nan 8.370 nan 0.000 0.599 185 P HA 0.331 nan 4.420 nan 0.000 0.277 185 P C -0.608 176.733 177.300 0.068 0.000 1.240 185 P CA 0.285 63.413 63.100 0.047 0.000 0.798 185 P CB 0.817 32.544 31.700 0.045 0.000 0.979 186 Q N -0.111 119.710 119.800 0.036 0.000 2.589 186 Q HA -0.086 4.254 4.340 0.000 0.000 0.154 186 Q C 0.732 176.717 176.000 -0.024 0.000 0.562 186 Q CA 1.262 57.094 55.803 0.050 0.000 1.260 186 Q CB -2.099 26.715 28.738 0.127 0.000 0.984 186 Q HN 0.897 nan 8.270 nan 0.000 1.098 187 G N -0.175 108.570 108.800 -0.092 0.000 2.384 187 G HA2 -0.093 3.867 3.960 0.000 0.000 0.200 187 G HA3 -0.093 3.867 3.960 0.000 0.000 0.200 187 G C -1.258 173.366 174.900 -0.460 0.000 1.205 187 G CA -0.412 44.538 45.100 -0.250 0.000 1.116 187 G HN 0.123 nan 8.290 nan 0.000 0.547 188 R N 0.187 120.307 120.500 -0.632 0.000 2.778 188 R HA 0.738 5.078 4.340 0.000 0.000 0.277 188 R C -0.554 175.123 176.300 -1.039 0.000 0.977 188 R CA -0.864 54.806 56.100 -0.717 0.000 0.950 188 R CB 1.670 31.740 30.300 -0.383 0.000 1.165 188 R HN 0.722 nan 8.270 nan 0.000 0.474 189 H N -0.313 118.392 119.070 -0.608 0.000 2.960 189 H HA 0.442 4.998 4.556 0.000 0.000 0.338 189 H C -0.879 174.101 175.328 -0.581 0.000 1.261 189 H CA -0.939 54.739 56.048 -0.617 0.000 1.136 189 H CB 1.844 31.109 29.762 -0.829 0.000 1.875 189 H HN 0.317 nan 8.280 nan 0.000 0.550 190 V N -0.833 118.904 119.914 -0.295 0.000 2.680 190 V HA 0.636 4.756 4.120 0.000 0.000 0.309 190 V C -0.162 175.727 176.094 -0.341 0.000 1.052 190 V CA -0.835 61.249 62.300 -0.360 0.000 0.908 190 V CB 2.265 33.870 31.823 -0.363 0.000 1.001 190 V HN 0.627 nan 8.190 nan 0.000 0.431 191 K N 1.547 121.557 120.400 -0.649 0.000 2.480 191 K HA 0.842 5.162 4.320 0.000 0.000 0.258 191 K C -0.876 175.210 176.600 -0.856 0.000 0.990 191 K CA -0.355 55.516 56.287 -0.694 0.000 0.857 191 K CB 2.630 34.679 32.500 -0.752 0.000 1.384 191 K HN 1.108 nan 8.250 nan 0.000 0.446 192 T N -1.216 112.895 114.554 -0.738 0.000 2.893 192 T HA 0.549 4.899 4.350 0.000 0.000 0.293 192 T C -1.074 173.291 174.700 -0.559 0.000 1.027 192 T CA -0.663 61.044 62.100 -0.655 0.000 0.988 192 T CB 0.690 69.096 68.868 -0.771 0.000 1.043 192 T HN 0.466 nan 8.240 nan 0.000 0.461 193 Y N -0.058 120.127 120.300 -0.191 0.000 2.512 193 Y HA 0.486 5.036 4.550 0.000 0.000 0.348 193 Y C 0.398 176.303 175.900 0.009 0.000 0.990 193 Y CA -1.369 56.670 58.100 -0.101 0.000 1.033 193 Y CB 2.202 40.516 38.460 -0.244 0.000 1.259 193 Y HN 0.634 nan 8.280 nan 0.000 0.461 194 E N 1.567 121.934 120.200 0.277 0.000 2.283 194 E HA 0.420 4.770 4.350 0.000 0.000 0.271 194 E C -1.212 175.586 176.600 0.330 0.000 1.031 194 E CA -0.785 55.753 56.400 0.230 0.000 0.868 194 E CB 2.161 31.949 29.700 0.146 0.000 1.094 194 E HN 0.211 nan 8.360 nan 0.000 0.401 195 V N 1.922 122.006 119.914 0.283 0.000 2.357 195 V HA 0.175 4.295 4.120 0.000 0.000 0.284 195 V C -0.056 176.111 176.094 0.123 0.000 1.018 195 V CA -0.560 61.862 62.300 0.202 0.000 0.841 195 V CB 1.298 33.305 31.823 0.308 0.000 0.991 195 V HN 0.550 nan 8.190 nan 0.000 0.437 196 S N 5.030 120.765 115.700 0.059 0.000 2.433 196 S HA 0.516 4.986 4.470 0.000 0.000 0.310 196 S C 0.831 175.453 174.600 0.036 0.000 1.097 196 S CA -0.808 57.417 58.200 0.041 0.000 1.103 196 S CB 0.910 64.120 63.200 0.016 0.000 0.992 196 S HN 0.667 nan 8.310 nan 0.000 0.469 197 L N 3.220 124.470 121.223 0.046 0.000 2.416 197 L HA 0.430 4.770 4.340 0.000 0.000 0.216 197 L C 2.280 179.059 176.870 -0.151 0.000 1.098 197 L CA 0.029 54.884 54.840 0.026 0.000 0.840 197 L CB -0.484 41.659 42.059 0.139 0.000 0.981 197 L HN 0.503 nan 8.230 nan 0.000 0.462 198 R N 0.939 121.383 120.500 -0.095 0.000 2.081 198 R HA -0.109 4.231 4.340 0.000 0.000 0.235 198 R C 2.185 178.391 176.300 -0.156 0.000 1.131 198 R CA 1.673 57.704 56.100 -0.114 0.000 0.960 198 R CB 0.044 30.306 30.300 -0.063 0.000 0.856 198 R HN 0.347 nan 8.270 nan 0.000 0.436 199 E N 0.273 120.394 120.200 -0.131 0.000 2.190 199 E HA -0.015 4.335 4.350 0.000 0.000 0.191 199 E C 0.170 176.663 176.600 -0.178 0.000 0.978 199 E CA 0.445 56.771 56.400 -0.124 0.000 0.839 199 E CB 0.223 29.883 29.700 -0.066 0.000 0.787 199 E HN 0.244 nan 8.360 nan 0.000 0.473 200 K N 0.742 121.000 120.400 -0.237 0.000 3.088 200 K HA -0.215 4.105 4.320 0.000 0.000 0.273 200 K C -0.256 176.320 176.600 -0.041 0.000 1.111 200 K CA 0.813 56.988 56.287 -0.187 0.000 0.803 200 K CB -1.434 30.794 32.500 -0.454 0.000 1.226 200 K HN 0.240 nan 8.250 nan 0.000 0.485 201 E N -0.553 119.597 120.200 -0.082 0.000 2.281 201 E HA 0.604 4.954 4.350 0.000 0.000 0.257 201 E C -0.689 175.812 176.600 -0.166 0.000 0.971 201 E CA -0.925 55.425 56.400 -0.084 0.000 0.839 201 E CB 1.050 30.727 29.700 -0.038 0.000 1.238 201 E HN 0.075 nan 8.360 nan 0.000 0.412 202 F N 1.284 121.179 119.950 -0.092 0.000 2.427 202 F HA 0.374 4.901 4.527 -0.000 0.000 0.348 202 F C -0.050 175.641 175.800 -0.180 0.000 1.125 202 F CA -0.879 57.002 58.000 -0.199 0.000 0.989 202 F CB 1.312 40.000 39.000 -0.519 0.000 1.165 202 F HN 0.258 nan 8.300 nan 0.000 0.442 203 N N 3.087 121.893 118.700 0.177 0.000 2.404 203 N HA 0.227 4.967 4.740 0.000 0.000 0.297 203 N C -0.786 174.827 175.510 0.173 0.000 1.163 203 N CA -0.860 52.259 53.050 0.114 0.000 0.864 203 N CB 1.656 40.205 38.487 0.103 0.000 1.247 203 N HN 0.477 nan 8.380 nan 0.000 0.510 204 K N 0.113 120.594 120.400 0.136 0.000 2.530 204 K HA 0.039 4.359 4.320 0.000 0.000 0.280 204 K C 0.623 177.283 176.600 0.101 0.000 1.004 204 K CA 0.186 56.555 56.287 0.137 0.000 1.071 204 K CB 0.074 32.623 32.500 0.081 0.000 0.876 204 K HN 0.638 nan 8.250 nan 0.000 0.487 205 G N 3.678 112.505 108.800 0.045 0.000 2.563 205 G HA2 0.194 4.154 3.960 0.000 0.000 0.283 205 G HA3 0.194 4.154 3.960 0.000 0.000 0.283 205 G C -1.823 173.020 174.900 -0.095 0.000 1.309 205 G CA -1.047 44.004 45.100 -0.081 0.000 1.022 205 G HN 0.550 nan 8.290 nan 0.000 0.501 206 P HA 0.153 nan 4.420 nan 0.000 0.240 206 P C -0.733 176.655 177.300 0.147 0.000 1.190 206 P CA 0.404 63.503 63.100 -0.002 0.000 0.781 206 P CB 0.140 31.865 31.700 0.043 0.000 0.931 207 W N -0.104 121.193 121.300 -0.004 0.000 3.256 207 W HA 0.460 5.120 4.660 0.000 0.000 0.324 207 W C -0.953 175.543 176.519 -0.037 0.000 1.196 207 W CA -1.638 55.700 57.345 -0.012 0.000 1.206 207 W CB 0.569 30.028 29.460 -0.002 0.000 1.385 207 W HN -0.412 nan 8.180 nan 0.000 0.522 208 K N 3.045 123.602 120.400 0.261 0.000 2.518 208 K HA -0.067 4.253 4.320 0.000 0.000 0.276 208 K C 0.164 176.848 176.600 0.140 0.000 0.974 208 K CA -0.350 56.016 56.287 0.131 0.000 0.986 208 K CB 0.648 33.204 32.500 0.094 0.000 0.901 208 K HN 0.776 nan 8.250 nan 0.000 0.497 209 Q N 2.537 122.356 119.800 0.032 0.000 2.289 209 Q HA -0.041 4.299 4.340 0.000 0.000 0.273 209 Q C -0.683 175.331 176.000 0.024 0.000 1.029 209 Q CA 0.393 56.192 55.803 -0.006 0.000 0.896 209 Q CB 0.662 29.363 28.738 -0.062 0.000 1.182 209 Q HN 0.386 nan 8.270 nan 0.000 0.385 210 E N 3.347 123.570 120.200 0.038 0.000 2.232 210 E HA 0.347 4.697 4.350 0.000 0.000 0.264 210 E C -0.664 175.956 176.600 0.033 0.000 0.973 210 E CA -0.784 55.644 56.400 0.048 0.000 0.849 210 E CB 0.831 30.612 29.700 0.136 0.000 1.198 210 E HN 0.617 nan 8.360 nan 0.000 0.407 211 N N 0.110 118.830 118.700 0.032 0.000 2.518 211 N HA 0.339 5.079 4.740 0.000 0.000 0.283 211 N C -0.133 175.343 175.510 -0.055 0.000 1.119 211 N CA -0.375 52.653 53.050 -0.036 0.000 0.983 211 N CB 1.545 40.001 38.487 -0.052 0.000 1.139 211 N HN 0.263 nan 8.380 nan 0.000 0.465 212 V N -1.250 118.574 119.914 -0.150 0.000 3.164 212 V HA 0.443 4.563 4.120 0.000 0.000 0.313 212 V C 0.007 176.029 176.094 -0.120 0.000 1.188 212 V CA -0.971 61.288 62.300 -0.067 0.000 1.058 212 V CB 1.644 33.424 31.823 -0.071 0.000 1.110 212 V HN 0.656 nan 8.190 nan 0.000 0.453 213 E N 0.444 120.602 120.200 -0.070 0.000 2.413 213 E HA 0.235 4.585 4.350 0.000 0.000 0.263 213 E C 1.327 177.858 176.600 -0.115 0.000 1.015 213 E CA 0.407 56.760 56.400 -0.079 0.000 0.916 213 E CB 1.652 31.323 29.700 -0.049 0.000 0.947 213 E HN 1.069 nan 8.360 nan 0.000 0.440 214 A N 4.883 127.637 122.820 -0.111 0.000 2.042 214 A HA -0.200 4.120 4.320 0.000 0.000 0.222 214 A C 1.415 178.942 177.584 -0.096 0.000 1.167 214 A CA 1.618 53.586 52.037 -0.115 0.000 0.649 214 A CB -0.124 18.824 19.000 -0.087 0.000 0.809 214 A HN 0.669 nan 8.150 nan 0.000 0.457 215 E N -1.040 119.115 120.200 -0.076 0.000 2.583 215 E HA 0.354 4.704 4.350 0.000 0.000 0.213 215 E C 0.332 176.900 176.600 -0.054 0.000 0.989 215 E CA 0.407 56.773 56.400 -0.057 0.000 0.991 215 E CB 0.127 29.801 29.700 -0.044 0.000 1.040 215 E HN 0.529 nan 8.360 nan 0.000 0.481 216 A N 1.577 124.356 122.820 -0.068 0.000 2.546 216 A HA 0.157 4.477 4.320 0.000 0.000 0.243 216 A C 1.184 178.740 177.584 -0.045 0.000 1.063 216 A CA 0.929 52.929 52.037 -0.061 0.000 0.757 216 A CB 0.119 19.072 19.000 -0.080 0.000 0.991 216 A HN 0.164 nan 8.150 nan 0.000 0.503 217 S N 0.912 116.596 115.700 -0.027 0.000 2.733 217 S HA 0.361 4.831 4.470 0.000 0.000 0.270 217 S C -0.044 174.565 174.600 0.016 0.000 1.062 217 S CA 0.028 58.227 58.200 -0.001 0.000 1.256 217 S CB -0.231 62.973 63.200 0.006 0.000 1.187 217 S HN 0.690 nan 8.310 nan 0.000 0.666 218 M N 2.249 121.849 119.600 0.001 0.000 2.395 218 M HA 0.669 5.149 4.480 0.000 0.000 0.307 218 M C -2.026 174.253 176.300 -0.034 0.000 1.091 218 M CA -0.408 54.903 55.300 0.018 0.000 0.919 218 M CB 2.313 34.932 32.600 0.031 0.000 1.662 218 M HN 0.062 nan 8.290 nan 0.000 0.440 219 V N 6.110 126.009 119.914 -0.025 0.000 2.407 219 V HA 0.533 4.653 4.120 0.000 0.000 0.291 219 V C -0.649 175.373 176.094 -0.119 0.000 1.018 219 V CA -0.568 61.693 62.300 -0.064 0.000 0.842 219 V CB 1.530 33.343 31.823 -0.018 0.000 0.996 219 V HN 0.749 nan 8.190 nan 0.000 0.426 220 I N 3.908 124.337 120.570 -0.235 0.000 2.377 220 I HA 0.701 4.871 4.170 0.000 0.000 0.293 220 I C 0.474 176.545 176.117 -0.077 0.000 0.987 220 I CA -0.529 60.587 61.300 -0.308 0.000 1.185 220 I CB 1.873 39.454 38.000 -0.699 0.000 1.341 220 I HN 0.649 nan 8.210 nan 0.000 0.455 221 A N 6.786 129.655 122.820 0.081 0.000 2.252 221 A HA 0.632 4.952 4.320 0.000 0.000 0.309 221 A C -0.313 177.506 177.584 0.392 0.000 1.285 221 A CA -0.502 51.672 52.037 0.229 0.000 0.900 221 A CB 0.429 19.564 19.000 0.225 0.000 1.157 221 A HN 0.481 nan 8.150 nan 0.000 0.536 222 V N 4.629 124.756 119.914 0.355 0.000 2.530 222 V HA 0.228 4.348 4.120 0.000 0.000 0.282 222 V C -2.013 174.276 176.094 0.325 0.000 1.048 222 V CA -1.451 61.052 62.300 0.339 0.000 0.997 222 V CB 0.776 32.788 31.823 0.315 0.000 0.987 222 V HN 0.745 nan 8.190 nan 0.000 0.477 223 P HA 0.036 nan 4.420 nan 0.000 0.271 223 P C 1.045 178.322 177.300 -0.037 0.000 1.238 223 P CA -0.116 62.699 63.100 -0.475 0.000 0.794 223 P CB 0.680 32.150 31.700 -0.382 0.000 0.959 224 E N 1.226 121.392 120.200 -0.058 0.000 2.114 224 E HA -0.223 4.127 4.350 0.000 0.000 0.199 224 E C -0.734 175.924 176.600 0.098 0.000 1.008 224 E CA 1.907 58.368 56.400 0.101 0.000 0.810 224 E CB -1.444 28.314 29.700 0.097 0.000 0.739 224 E HN 0.426 nan 8.360 nan 0.000 0.456 225 P HA -0.185 nan 4.420 nan 0.000 0.215 225 P C 0.742 177.986 177.300 -0.094 0.000 1.163 225 P CA 1.513 64.581 63.100 -0.054 0.000 0.894 225 P CB -0.099 31.535 31.700 -0.111 0.000 0.791 226 F N -1.573 118.402 119.950 0.042 0.000 2.208 226 F HA 0.323 4.850 4.527 0.000 0.000 0.282 226 F C 1.516 177.429 175.800 0.189 0.000 1.071 226 F CA 0.997 59.042 58.000 0.075 0.000 1.228 226 F CB -1.263 37.763 39.000 0.043 0.000 1.088 226 F HN -0.099 nan 8.300 nan 0.000 0.512 227 G N 0.736 109.816 108.800 0.467 0.000 2.460 227 G HA2 0.177 4.137 3.960 0.000 0.000 0.259 227 G HA3 0.177 4.137 3.960 0.000 0.000 0.259 227 G C 0.074 175.216 174.900 0.404 0.000 0.959 227 G CA 0.027 45.369 45.100 0.403 0.000 1.330 227 G HN 0.862 nan 8.290 nan 0.000 0.451 228 G N -0.156 108.874 108.800 0.384 0.000 2.933 228 G HA2 1.054 5.014 3.960 0.000 0.000 0.203 228 G HA3 1.054 5.014 3.960 0.000 0.000 0.203 228 G C -0.549 174.391 174.900 0.066 0.000 1.170 228 G CA 0.479 45.593 45.100 0.024 0.000 0.880 228 G HN 2.067 nan 8.290 nan 0.000 0.573 229 A N -0.328 122.376 122.820 -0.193 0.000 2.402 229 A HA 0.727 5.047 4.320 0.000 0.000 0.291 229 A C -0.874 176.658 177.584 -0.088 0.000 1.051 229 A CA -0.440 51.577 52.037 -0.034 0.000 0.716 229 A CB 0.792 19.831 19.000 0.065 0.000 1.223 229 A HN 0.556 nan 8.150 nan 0.000 0.425 230 I N 1.794 122.337 120.570 -0.046 0.000 2.532 230 I HA 0.419 4.589 4.170 0.000 0.000 0.292 230 I C -0.412 175.654 176.117 -0.085 0.000 1.014 230 I CA -0.329 60.939 61.300 -0.053 0.000 1.340 230 I CB 1.496 39.423 38.000 -0.123 0.000 1.422 230 I HN 0.524 nan 8.210 nan 0.000 0.528 231 I N 6.243 126.782 120.570 -0.052 0.000 2.476 231 I HA 0.320 4.490 4.170 0.000 0.000 0.281 231 I C -0.806 175.272 176.117 -0.066 0.000 1.040 231 I CA -0.179 61.088 61.300 -0.056 0.000 1.094 231 I CB 1.430 39.418 38.000 -0.020 0.000 1.219 231 I HN 0.332 nan 8.210 nan 0.000 0.450 232 I N 5.460 125.982 120.570 -0.080 0.000 2.353 232 I HA 0.704 4.874 4.170 0.000 0.000 0.293 232 I C 0.659 176.742 176.117 -0.057 0.000 0.992 232 I CA 0.228 61.482 61.300 -0.076 0.000 1.268 232 I CB 1.557 39.512 38.000 -0.075 0.000 1.387 232 I HN 0.591 nan 8.210 nan 0.000 0.478 233 G N 4.056 112.819 108.800 -0.061 0.000 2.695 233 G HA2 0.390 4.350 3.960 0.000 0.000 0.290 233 G HA3 0.390 4.350 3.960 0.000 0.000 0.290 233 G C -1.350 173.515 174.900 -0.059 0.000 1.410 233 G CA -0.629 44.439 45.100 -0.053 0.000 0.844 233 G HN 0.288 nan 8.290 nan 0.000 0.478 234 Q N 0.449 120.218 119.800 -0.051 0.000 2.333 234 Q HA 0.036 4.376 4.340 0.000 0.000 0.299 234 Q C 1.199 177.164 176.000 -0.059 0.000 1.067 234 Q CA 1.363 57.135 55.803 -0.052 0.000 0.943 234 Q CB 0.905 29.618 28.738 -0.041 0.000 1.233 234 Q HN 1.092 nan 8.270 nan 0.000 0.401 235 E N -0.136 120.024 120.200 -0.067 0.000 4.250 235 E HA -0.289 4.061 4.350 0.000 0.000 0.325 235 E C -0.809 175.748 176.600 -0.072 0.000 0.640 235 E CA 1.430 57.791 56.400 -0.064 0.000 1.343 235 E CB -1.012 28.660 29.700 -0.047 0.000 1.759 235 E HN 0.383 nan 8.360 nan 0.000 0.401 236 S N -0.242 115.413 115.700 -0.074 0.000 2.541 236 S HA 0.783 5.253 4.470 0.000 0.000 0.280 236 S C -0.885 173.664 174.600 -0.085 0.000 1.112 236 S CA -0.646 57.512 58.200 -0.070 0.000 0.925 236 S CB 1.393 64.566 63.200 -0.045 0.000 1.067 236 S HN 0.319 nan 8.310 nan 0.000 0.479 237 I N 2.969 123.481 120.570 -0.097 0.000 2.619 237 I HA 0.513 4.683 4.170 0.000 0.000 0.292 237 I C -0.755 175.287 176.117 -0.125 0.000 1.100 237 I CA -0.527 60.709 61.300 -0.107 0.000 1.043 237 I CB 2.601 40.526 38.000 -0.125 0.000 1.239 237 I HN 0.769 nan 8.210 nan 0.000 0.420 238 T N 2.024 116.509 114.554 -0.115 0.000 3.041 238 T HA 0.420 4.770 4.350 0.000 0.000 0.321 238 T C -1.439 173.195 174.700 -0.109 0.000 1.184 238 T CA -0.673 61.304 62.100 -0.205 0.000 1.050 238 T CB 1.481 70.182 68.868 -0.277 0.000 1.159 238 T HN 0.410 nan 8.240 nan 0.000 0.469 239 Y N 3.346 123.440 120.300 -0.343 0.000 2.323 239 Y HA 0.580 5.130 4.550 0.000 0.000 0.331 239 Y C 0.003 175.694 175.900 -0.348 0.000 1.092 239 Y CA -0.374 57.585 58.100 -0.236 0.000 1.150 239 Y CB 0.911 39.245 38.460 -0.211 0.000 1.200 239 Y HN 0.771 nan 8.280 nan 0.000 0.472 240 H N 4.749 123.395 119.070 -0.706 0.000 2.622 240 H HA 0.399 4.955 4.556 0.000 0.000 0.363 240 H C -1.076 173.629 175.328 -1.039 0.000 1.151 240 H CA -0.998 54.700 56.048 -0.583 0.000 1.184 240 H CB 2.273 31.865 29.762 -0.283 0.000 1.643 240 H HN 0.633 nan 8.280 nan 0.000 0.531 241 N N -0.060 118.109 118.700 -0.885 0.000 2.928 241 N HA 0.076 4.816 4.740 0.000 0.000 0.247 241 N C 0.852 175.718 175.510 -1.073 0.000 1.141 241 N CA 0.518 52.824 53.050 -1.239 0.000 0.977 241 N CB 1.544 39.693 38.487 -0.564 0.000 1.663 241 N HN 0.861 nan 8.380 nan 0.000 0.509 242 G N 2.453 110.523 108.800 -1.216 0.000 3.023 242 G HA2 -0.355 3.605 3.960 0.000 0.000 0.311 242 G HA3 -0.355 3.605 3.960 0.000 0.000 0.311 242 G C 0.314 175.055 174.900 -0.266 0.000 1.098 242 G CA 1.549 46.442 45.100 -0.345 0.000 1.027 242 G HN 0.722 nan 8.290 nan 0.000 0.991 243 D N 0.801 121.107 120.400 -0.158 0.000 2.469 243 D HA 0.160 4.800 4.640 0.000 0.000 0.215 243 D C 0.666 176.922 176.300 -0.075 0.000 1.154 243 D CA -0.050 53.895 54.000 -0.091 0.000 0.832 243 D CB 0.333 41.116 40.800 -0.028 0.000 1.008 243 D HN 0.361 nan 8.370 nan 0.000 0.506 244 K N 0.728 121.066 120.400 -0.104 0.000 2.237 244 K HA 0.222 4.542 4.320 0.000 0.000 0.270 244 K C -0.626 175.958 176.600 -0.026 0.000 1.015 244 K CA -0.155 56.114 56.287 -0.031 0.000 0.949 244 K CB 1.452 33.975 32.500 0.039 0.000 0.976 244 K HN -0.010 nan 8.250 nan 0.000 0.472 245 Y N 1.806 122.025 120.300 -0.134 0.000 2.442 245 Y HA 0.387 4.937 4.550 0.000 0.000 0.330 245 Y C -1.827 174.000 175.900 -0.122 0.000 1.100 245 Y CA -0.740 57.225 58.100 -0.224 0.000 1.034 245 Y CB 1.199 39.515 38.460 -0.241 0.000 1.285 245 Y HN 0.482 nan 8.280 nan 0.000 0.440 246 L N 4.973 125.796 121.223 -0.668 0.000 2.422 246 L HA 0.960 5.300 4.340 0.000 0.000 0.264 246 L C -1.336 175.161 176.870 -0.621 0.000 0.984 246 L CA -1.054 53.512 54.840 -0.456 0.000 0.819 246 L CB 2.342 44.283 42.059 -0.198 0.000 1.330 246 L HN 0.824 nan 8.230 nan 0.000 0.410 247 A N 4.510 127.101 122.820 -0.382 0.000 2.547 247 A HA 0.580 4.900 4.320 0.000 0.000 0.279 247 A C -0.960 176.538 177.584 -0.145 0.000 1.088 247 A CA -0.415 51.445 52.037 -0.295 0.000 0.796 247 A CB 0.785 19.618 19.000 -0.278 0.000 1.308 247 A HN 0.647 nan 8.150 nan 0.000 0.415 248 I N -0.499 119.993 120.570 -0.131 0.000 2.577 248 I HA 0.906 5.076 4.170 0.000 0.000 0.305 248 I C 0.262 176.327 176.117 -0.087 0.000 0.986 248 I CA -0.875 60.368 61.300 -0.095 0.000 1.189 248 I CB 2.336 40.279 38.000 -0.094 0.000 1.355 248 I HN 0.619 nan 8.210 nan 0.000 0.476 249 A N 4.830 127.608 122.820 -0.070 0.000 3.370 249 A HA 0.534 4.854 4.320 0.000 0.000 0.295 249 A C -2.552 174.991 177.584 -0.067 0.000 1.030 249 A CA -1.042 50.954 52.037 -0.069 0.000 0.883 249 A CB -0.514 18.456 19.000 -0.050 0.000 1.191 249 A HN 0.654 nan 8.150 nan 0.000 0.507 250 P HA 0.279 nan 4.420 nan 0.000 0.271 250 P C -2.407 174.854 177.300 -0.066 0.000 1.216 250 P CA -1.035 62.024 63.100 -0.069 0.000 0.771 250 P CB 1.126 32.776 31.700 -0.083 0.000 0.864 251 P HA 0.086 nan 4.420 nan 0.000 0.245 251 P C 1.345 178.631 177.300 -0.023 0.000 1.212 251 P CA 0.522 63.604 63.100 -0.031 0.000 0.774 251 P CB -0.055 31.635 31.700 -0.016 0.000 0.999 252 I N -0.119 120.440 120.570 -0.018 0.000 2.252 252 I HA -0.174 3.996 4.170 0.000 0.000 0.245 252 I C 1.830 177.941 176.117 -0.010 0.000 1.102 252 I CA 1.298 62.615 61.300 0.027 0.000 1.385 252 I CB -0.783 37.278 38.000 0.101 0.000 1.064 252 I HN -0.061 nan 8.210 nan 0.000 0.414 253 I N -1.299 119.181 120.570 -0.151 0.000 3.686 253 I HA 0.056 4.226 4.170 0.000 0.000 0.308 253 I C 1.752 177.792 176.117 -0.128 0.000 1.254 253 I CA 0.906 62.054 61.300 -0.253 0.000 1.175 253 I CB -0.627 37.084 38.000 -0.482 0.000 1.009 253 I HN 0.024 nan 8.210 nan 0.000 0.459 254 K N 0.794 121.153 120.400 -0.069 0.000 2.242 254 K HA 0.047 4.367 4.320 0.000 0.000 0.200 254 K C 1.896 178.480 176.600 -0.026 0.000 1.050 254 K CA 0.584 56.843 56.287 -0.048 0.000 0.981 254 K CB 0.069 32.546 32.500 -0.038 0.000 0.795 254 K HN 0.479 nan 8.250 nan 0.000 0.477 255 Q N -0.251 119.545 119.800 -0.007 0.000 2.308 255 Q HA -0.087 4.253 4.340 0.000 0.000 0.209 255 Q C 0.276 176.274 176.000 -0.003 0.000 0.985 255 Q CA 0.766 56.571 55.803 0.004 0.000 0.881 255 Q CB 0.093 28.846 28.738 0.025 0.000 0.917 255 Q HN 0.023 nan 8.270 nan 0.000 0.443 256 S N -1.147 114.551 115.700 -0.003 0.000 2.543 256 S HA 0.218 4.688 4.470 0.000 0.000 0.274 256 S C -1.092 173.501 174.600 -0.011 0.000 1.149 256 S CA -0.816 57.379 58.200 -0.009 0.000 0.866 256 S CB 1.823 65.029 63.200 0.010 0.000 1.111 256 S HN 0.032 nan 8.310 nan 0.000 0.457 257 T N 4.038 118.579 114.554 -0.022 0.000 2.851 257 T HA 0.370 4.720 4.350 0.000 0.000 0.298 257 T C 0.328 175.026 174.700 -0.004 0.000 0.977 257 T CA -0.037 62.050 62.100 -0.022 0.000 1.126 257 T CB -0.098 68.756 68.868 -0.023 0.000 0.916 257 T HN 0.493 nan 8.240 nan 0.000 0.529 258 I N 3.744 124.307 120.570 -0.013 0.000 2.471 258 I HA 0.088 4.258 4.170 0.000 0.000 0.286 258 I C 1.384 177.514 176.117 0.022 0.000 1.079 258 I CA -0.104 61.203 61.300 0.012 0.000 1.398 258 I CB 0.979 38.968 38.000 -0.019 0.000 1.403 258 I HN 0.541 nan 8.210 nan 0.000 0.530 259 V N 2.864 122.800 119.914 0.036 0.000 3.572 259 V HA 0.211 4.331 4.120 0.000 0.000 0.260 259 V C 0.315 176.428 176.094 0.031 0.000 1.324 259 V CA -0.029 62.287 62.300 0.027 0.000 1.068 259 V CB 0.087 31.919 31.823 0.014 0.000 0.837 259 V HN 0.848 nan 8.190 nan 0.000 0.450 260 C N 1.525 120.849 119.300 0.040 0.000 2.880 260 C HA 0.922 5.382 4.460 0.000 0.000 0.320 260 C C -0.416 174.608 174.990 0.056 0.000 1.176 260 C CA -0.302 58.718 59.018 0.003 0.000 1.390 260 C CB 0.509 28.235 27.740 -0.022 0.000 1.846 260 C HN 0.839 nan 8.230 nan 0.000 0.478 261 H N 0.637 119.737 119.070 0.051 0.000 2.797 261 H HA 0.911 5.467 4.556 0.000 0.000 0.362 261 H C -0.813 174.590 175.328 0.125 0.000 1.183 261 H CA -0.597 55.493 56.048 0.070 0.000 1.197 261 H CB 1.228 30.990 29.762 -0.001 0.000 1.835 261 H HN 0.856 nan 8.280 nan 0.000 0.567 262 N N -0.517 118.392 118.700 0.349 0.000 2.446 262 N HA 0.195 4.935 4.740 0.000 0.000 0.272 262 N C -1.784 174.014 175.510 0.480 0.000 1.127 262 N CA -0.862 52.394 53.050 0.342 0.000 0.896 262 N CB 2.265 40.871 38.487 0.199 0.000 1.658 262 N HN 0.767 nan 8.380 nan 0.000 0.483 263 R N 2.513 123.256 120.500 0.404 0.000 2.340 263 R HA 0.433 4.773 4.340 0.000 0.000 0.300 263 R C -0.079 176.142 176.300 -0.131 0.000 1.069 263 R CA -0.343 55.760 56.100 0.004 0.000 0.984 263 R CB 0.668 31.002 30.300 0.056 0.000 1.003 263 R HN 0.462 nan 8.270 nan 0.000 0.459 264 V N 2.507 122.199 119.914 -0.369 0.000 2.484 264 V HA 0.013 4.133 4.120 0.000 0.000 0.236 264 V C 0.131 176.008 176.094 -0.362 0.000 1.062 264 V CA 1.061 63.086 62.300 -0.459 0.000 1.081 264 V CB 0.023 31.482 31.823 -0.607 0.000 0.751 264 V HN 0.763 nan 8.190 nan 0.000 0.484 265 D N 0.566 120.772 120.400 -0.324 0.000 2.233 265 D HA 0.269 4.909 4.640 0.000 0.000 0.240 265 D C -1.930 174.277 176.300 -0.155 0.000 1.074 265 D CA -1.660 52.230 54.000 -0.183 0.000 0.838 265 D CB 1.576 42.286 40.800 -0.150 0.000 1.124 265 D HN 0.011 nan 8.370 nan 0.000 0.475 266 P HA -0.227 nan 4.420 nan 0.000 0.219 266 P C 1.022 178.291 177.300 -0.051 0.000 1.149 266 P CA 1.272 64.349 63.100 -0.039 0.000 0.835 266 P CB 0.169 31.870 31.700 0.003 0.000 0.778 267 N N -2.331 116.353 118.700 -0.027 0.000 2.446 267 N HA 0.002 4.742 4.740 0.000 0.000 0.179 267 N C 1.238 176.826 175.510 0.130 0.000 1.054 267 N CA 1.146 54.224 53.050 0.047 0.000 0.905 267 N CB -0.236 38.294 38.487 0.071 0.000 0.973 267 N HN 0.186 nan 8.380 nan 0.000 0.448 268 G N 0.955 109.727 108.800 -0.047 0.000 2.134 268 G HA2 -0.313 3.647 3.960 0.000 0.000 0.209 268 G HA3 -0.313 3.647 3.960 0.000 0.000 0.209 268 G C 0.918 175.641 174.900 -0.294 0.000 0.993 268 G CA 0.501 45.483 45.100 -0.196 0.000 0.669 268 G HN 0.545 nan 8.290 nan 0.000 0.519 269 S N -0.627 114.995 115.700 -0.131 0.000 2.371 269 S HA 0.180 4.650 4.470 0.000 0.000 0.224 269 S C 1.089 175.585 174.600 -0.173 0.000 1.029 269 S CA 1.040 59.193 58.200 -0.077 0.000 0.978 269 S CB 0.192 63.412 63.200 0.033 0.000 0.833 269 S HN 0.651 nan 8.310 nan 0.000 0.466 270 R N -0.246 120.097 120.500 -0.262 0.000 2.561 270 R HA 0.640 4.980 4.340 0.000 0.000 0.297 270 R C -1.798 174.277 176.300 -0.375 0.000 0.969 270 R CA -0.545 55.415 56.100 -0.233 0.000 0.879 270 R CB 1.445 31.626 30.300 -0.198 0.000 1.178 270 R HN 0.283 nan 8.270 nan 0.000 0.445 271 Y N 1.277 121.526 120.300 -0.086 0.000 2.562 271 Y HA 0.484 5.034 4.550 0.000 0.000 0.343 271 Y C -0.010 175.888 175.900 -0.003 0.000 1.025 271 Y CA -1.011 57.067 58.100 -0.036 0.000 1.082 271 Y CB 1.779 40.229 38.460 -0.018 0.000 1.264 271 Y HN 0.217 nan 8.280 nan 0.000 0.478 272 L N 2.738 124.100 121.223 0.232 0.000 2.334 272 L HA 0.553 4.893 4.340 0.000 0.000 0.275 272 L C -1.358 175.640 176.870 0.213 0.000 1.036 272 L CA -0.915 54.033 54.840 0.181 0.000 0.807 272 L CB 1.096 43.242 42.059 0.145 0.000 1.231 272 L HN 0.336 nan 8.230 nan 0.000 0.438 273 L N 1.779 123.123 121.223 0.203 0.000 2.441 273 L HA 0.556 4.896 4.340 0.000 0.000 0.270 273 L C 0.152 177.157 176.870 0.226 0.000 0.973 273 L CA -0.005 54.960 54.840 0.208 0.000 0.842 273 L CB 1.835 44.008 42.059 0.190 0.000 1.239 273 L HN 0.576 nan 8.230 nan 0.000 0.406 274 G N 1.321 110.213 108.800 0.153 0.000 2.322 274 G HA2 0.482 4.442 3.960 0.000 0.000 0.309 274 G HA3 0.482 4.442 3.960 0.000 0.000 0.309 274 G C -1.176 173.791 174.900 0.113 0.000 1.121 274 G CA -0.200 44.967 45.100 0.111 0.000 0.886 274 G HN 0.495 nan 8.290 nan 0.000 0.447 275 D N 2.084 122.556 120.400 0.120 0.000 2.269 275 D HA 0.219 4.859 4.640 0.000 0.000 0.244 275 D C 1.045 177.367 176.300 0.037 0.000 0.992 275 D CA -0.800 53.273 54.000 0.121 0.000 0.894 275 D CB 2.196 43.146 40.800 0.249 0.000 1.248 275 D HN 0.200 nan 8.370 nan 0.000 0.468 276 M N 1.619 121.219 119.600 -0.001 0.000 2.460 276 M HA -0.102 4.378 4.480 0.000 0.000 0.263 276 M C 1.297 177.536 176.300 -0.102 0.000 1.071 276 M CA 1.076 56.337 55.300 -0.066 0.000 1.096 276 M CB 0.179 32.716 32.600 -0.105 0.000 1.408 276 M HN 0.348 nan 8.290 nan 0.000 0.463 277 E N -0.762 119.404 120.200 -0.056 0.000 2.442 277 E HA 0.105 4.455 4.350 0.000 0.000 0.195 277 E C 1.163 177.741 176.600 -0.037 0.000 1.030 277 E CA 0.943 57.307 56.400 -0.059 0.000 0.869 277 E CB 0.184 29.866 29.700 -0.029 0.000 0.857 277 E HN 0.488 nan 8.360 nan 0.000 0.505 278 G N 0.646 109.430 108.800 -0.026 0.000 2.176 278 G HA2 -0.294 3.666 3.960 0.000 0.000 0.232 278 G HA3 -0.294 3.666 3.960 0.000 0.000 0.232 278 G C 0.030 174.893 174.900 -0.061 0.000 0.986 278 G CA 0.044 45.125 45.100 -0.032 0.000 0.643 278 G HN 0.198 nan 8.290 nan 0.000 0.522 279 R N -0.379 120.074 120.500 -0.078 0.000 2.438 279 R HA 0.597 4.937 4.340 0.000 0.000 0.287 279 R C -0.076 176.053 176.300 -0.286 0.000 1.077 279 R CA -0.432 55.535 56.100 -0.221 0.000 1.034 279 R CB 0.957 31.092 30.300 -0.274 0.000 0.993 279 R HN 0.202 nan 8.270 nan 0.000 0.459 280 L N 3.788 124.785 121.223 -0.377 0.000 2.307 280 L HA 0.512 4.852 4.340 0.000 0.000 0.284 280 L C -1.357 175.255 176.870 -0.430 0.000 1.023 280 L CA -0.278 54.415 54.840 -0.244 0.000 0.810 280 L CB 0.831 42.826 42.059 -0.106 0.000 1.231 280 L HN 0.440 nan 8.230 nan 0.000 0.423 281 F N 4.157 124.112 119.950 0.009 0.000 2.541 281 F HA 0.670 5.197 4.527 0.000 0.000 0.331 281 F C -0.004 175.792 175.800 -0.007 0.000 1.057 281 F CA -0.726 57.272 58.000 -0.003 0.000 0.975 281 F CB 1.778 40.775 39.000 -0.005 0.000 1.246 281 F HN 0.383 nan 8.300 nan 0.000 0.484 282 M N 2.711 122.417 119.600 0.177 0.000 2.243 282 M HA 0.518 4.998 4.480 0.000 0.000 0.324 282 M C -1.887 174.461 176.300 0.079 0.000 1.031 282 M CA -0.769 54.578 55.300 0.079 0.000 0.949 282 M CB 1.446 34.036 32.600 -0.018 0.000 1.615 282 M HN 0.478 nan 8.290 nan 0.000 0.430 283 L N 6.366 127.636 121.223 0.078 0.000 2.282 283 L HA 0.705 5.045 4.340 0.000 0.000 0.288 283 L C -1.992 174.891 176.870 0.021 0.000 1.033 283 L CA -0.081 54.785 54.840 0.042 0.000 0.807 283 L CB 0.894 42.982 42.059 0.048 0.000 1.209 283 L HN 0.795 nan 8.230 nan 0.000 0.423 284 L N 5.915 127.124 121.223 -0.023 0.000 2.325 284 L HA 0.447 4.787 4.340 0.000 0.000 0.281 284 L C -0.986 175.839 176.870 -0.074 0.000 1.004 284 L CA -0.505 54.306 54.840 -0.049 0.000 0.823 284 L CB 1.709 43.740 42.059 -0.048 0.000 1.236 284 L HN 0.474 nan 8.230 nan 0.000 0.415 285 L N 4.026 125.186 121.223 -0.105 0.000 2.259 285 L HA 0.287 4.627 4.340 0.000 0.000 0.288 285 L C 0.416 177.279 176.870 -0.011 0.000 1.051 285 L CA -0.043 54.701 54.840 -0.160 0.000 0.824 285 L CB 0.596 42.366 42.059 -0.482 0.000 1.206 285 L HN 0.418 nan 8.230 nan 0.000 0.429 286 E N 4.743 124.935 120.200 -0.013 0.000 2.161 286 E HA -0.019 4.331 4.350 0.000 0.000 0.263 286 E C -0.046 176.602 176.600 0.080 0.000 1.185 286 E CA 0.058 56.470 56.400 0.020 0.000 0.938 286 E CB 0.273 29.963 29.700 -0.016 0.000 1.023 286 E HN 0.385 nan 8.360 nan 0.000 0.433 287 K N 3.717 124.185 120.400 0.114 0.000 2.144 287 K HA 0.229 4.549 4.320 0.000 0.000 0.270 287 K C -0.366 176.211 176.600 -0.037 0.000 1.005 287 K CA -0.378 55.939 56.287 0.051 0.000 0.932 287 K CB 1.031 33.536 32.500 0.007 0.000 1.021 287 K HN 0.347 nan 8.250 nan 0.000 0.462 288 E N 3.087 123.236 120.200 -0.085 0.000 2.278 288 E HA 0.075 4.425 4.350 0.000 0.000 0.272 288 E C -1.587 174.964 176.600 -0.082 0.000 0.890 288 E CA -0.460 55.900 56.400 -0.068 0.000 0.770 288 E CB 1.774 31.446 29.700 -0.047 0.000 1.212 288 E HN 0.746 nan 8.360 nan 0.000 0.415 289 E N 2.691 122.851 120.200 -0.067 0.000 2.331 289 E HA 0.119 4.469 4.350 0.000 0.000 0.272 289 E C -0.114 176.457 176.600 -0.049 0.000 1.036 289 E CA 0.194 56.556 56.400 -0.064 0.000 0.864 289 E CB 1.095 30.763 29.700 -0.053 0.000 1.035 289 E HN 0.469 nan 8.360 nan 0.000 0.408 290 Q N 2.504 122.276 119.800 -0.047 0.000 3.079 290 Q HA 0.373 4.714 4.340 0.000 0.000 0.199 290 Q C 0.620 176.600 176.000 -0.032 0.000 1.156 290 Q CA -0.533 55.249 55.803 -0.035 0.000 0.442 290 Q CB 0.607 29.325 28.738 -0.033 0.000 5.300 290 Q HN 0.560 nan 8.270 nan 0.000 0.308 291 M N -0.780 118.804 119.600 -0.026 0.000 2.537 291 M HA 0.183 4.663 4.480 0.000 0.000 0.198 291 M C -1.007 175.279 176.300 -0.022 0.000 1.877 291 M CA 0.302 55.588 55.300 -0.023 0.000 1.139 291 M CB 1.534 34.123 32.600 -0.017 0.000 1.384 291 M HN 0.344 nan 8.290 nan 0.000 0.591 292 D N 0.476 120.865 120.400 -0.018 0.000 2.492 292 D HA 0.586 5.226 4.640 0.000 0.000 0.248 292 D C -0.059 176.232 176.300 -0.015 0.000 1.101 292 D CA 0.154 54.145 54.000 -0.015 0.000 0.840 292 D CB 1.957 42.751 40.800 -0.010 0.000 1.209 292 D HN 0.603 nan 8.370 nan 0.000 0.524 293 G N 1.074 109.864 108.800 -0.017 0.000 2.693 293 G HA2 0.202 4.162 3.960 0.000 0.000 0.119 293 G HA3 0.202 4.162 3.960 0.000 0.000 0.119 293 G C -0.536 174.354 174.900 -0.016 0.000 1.063 293 G CA -0.017 45.075 45.100 -0.014 0.000 1.405 293 G HN 0.491 nan 8.290 nan 0.000 0.626 294 T N -0.061 114.476 114.554 -0.029 0.000 2.840 294 T HA 0.526 4.876 4.350 0.000 0.000 0.317 294 T C -0.590 174.062 174.700 -0.079 0.000 1.401 294 T CA 0.211 62.285 62.100 -0.045 0.000 1.028 294 T CB 1.325 70.179 68.868 -0.022 0.000 1.317 294 T HN 1.467 nan 8.240 nan 0.000 0.495 295 V N 1.441 121.281 119.914 -0.124 0.000 2.617 295 V HA 0.547 4.667 4.120 0.000 0.000 0.304 295 V C 0.508 176.457 176.094 -0.241 0.000 1.040 295 V CA 0.169 62.352 62.300 -0.194 0.000 1.149 295 V CB 0.535 32.199 31.823 -0.265 0.000 0.914 295 V HN 0.913 nan 8.190 nan 0.000 0.487 296 T N 4.106 118.537 114.554 -0.205 0.000 2.870 296 T HA 0.677 5.027 4.350 0.000 0.000 0.277 296 T C -0.727 173.903 174.700 -0.116 0.000 1.000 296 T CA -0.762 61.257 62.100 -0.136 0.000 0.982 296 T CB 1.413 70.241 68.868 -0.067 0.000 1.249 296 T HN 0.929 nan 8.240 nan 0.000 0.589 297 L N 2.319 123.520 121.223 -0.037 0.000 2.280 297 L HA 0.556 4.896 4.340 0.000 0.000 0.287 297 L C 0.969 177.808 176.870 -0.051 0.000 1.023 297 L CA -0.163 54.666 54.840 -0.018 0.000 0.819 297 L CB 0.976 42.901 42.059 -0.223 0.000 1.212 297 L HN 0.750 nan 8.230 nan 0.000 0.420 298 K N 2.584 122.965 120.400 -0.032 0.000 2.029 298 K HA 0.091 4.411 4.320 0.000 0.000 0.205 298 K C -0.218 176.349 176.600 -0.055 0.000 1.042 298 K CA 0.799 57.062 56.287 -0.039 0.000 0.949 298 K CB 0.256 32.739 32.500 -0.028 0.000 0.740 298 K HN 0.747 nan 8.250 nan 0.000 0.442 299 D N -0.954 119.409 120.400 -0.062 0.000 2.583 299 D HA 0.331 4.971 4.640 0.000 0.000 0.248 299 D C -1.969 174.275 176.300 -0.094 0.000 1.209 299 D CA -0.643 53.313 54.000 -0.074 0.000 0.848 299 D CB 1.383 42.151 40.800 -0.053 0.000 1.431 299 D HN -0.088 nan 8.370 nan 0.000 0.436 300 L N 1.704 122.867 121.223 -0.101 0.000 2.334 300 L HA 0.671 5.011 4.340 0.000 0.000 0.276 300 L C -0.181 176.641 176.870 -0.080 0.000 1.014 300 L CA -0.458 54.319 54.840 -0.104 0.000 0.815 300 L CB 1.448 43.433 42.059 -0.122 0.000 1.268 300 L HN 0.551 nan 8.230 nan 0.000 0.428 301 R N 1.189 121.647 120.500 -0.070 0.000 2.707 301 R HA 0.800 5.140 4.340 0.000 0.000 0.272 301 R C -1.941 174.333 176.300 -0.043 0.000 1.011 301 R CA -0.572 55.496 56.100 -0.053 0.000 0.893 301 R CB 2.448 32.722 30.300 -0.042 0.000 1.233 301 R HN 0.351 nan 8.270 nan 0.000 0.464 302 V N 3.097 122.994 119.914 -0.028 0.000 2.531 302 V HA 0.381 4.501 4.120 0.000 0.000 0.301 302 V C -0.999 175.132 176.094 0.061 0.000 1.034 302 V CA -0.770 61.535 62.300 0.008 0.000 0.865 302 V CB 1.940 33.727 31.823 -0.060 0.000 0.995 302 V HN 0.677 nan 8.190 nan 0.000 0.424 303 E N 3.989 124.241 120.200 0.086 0.000 2.145 303 E HA 0.305 4.655 4.350 0.000 0.000 0.270 303 E C -0.586 176.099 176.600 0.143 0.000 0.906 303 E CA -1.083 55.355 56.400 0.063 0.000 0.761 303 E CB 2.354 32.009 29.700 -0.075 0.000 1.116 303 E HN 0.493 nan 8.360 nan 0.000 0.408 304 L N 4.878 126.197 121.223 0.159 0.000 2.704 304 L HA -0.033 4.307 4.340 0.000 0.000 0.279 304 L C 0.676 177.493 176.870 -0.088 0.000 1.147 304 L CA 0.617 55.416 54.840 -0.068 0.000 0.994 304 L CB -0.514 41.534 42.059 -0.018 0.000 1.332 304 L HN 0.645 nan 8.230 nan 0.000 0.471 305 L N 4.581 125.714 121.223 -0.149 0.000 2.156 305 L HA 0.194 4.534 4.340 0.000 0.000 0.208 305 L C 1.364 178.261 176.870 0.046 0.000 1.095 305 L CA 0.867 55.686 54.840 -0.035 0.000 0.770 305 L CB -0.605 41.419 42.059 -0.057 0.000 0.914 305 L HN 0.923 nan 8.230 nan 0.000 0.439 306 G N -0.040 108.698 108.800 -0.104 0.000 2.366 306 G HA2 -0.043 3.917 3.960 0.000 0.000 0.190 306 G HA3 -0.043 3.917 3.960 0.000 0.000 0.190 306 G C -1.402 173.416 174.900 -0.138 0.000 1.299 306 G CA -0.376 44.673 45.100 -0.084 0.000 1.056 306 G HN 0.098 nan 8.290 nan 0.000 0.468 307 E N 0.091 120.235 120.200 -0.093 0.000 2.241 307 E HA 0.635 4.985 4.350 0.000 0.000 0.263 307 E C 0.068 176.626 176.600 -0.070 0.000 0.882 307 E CA -0.069 56.278 56.400 -0.089 0.000 0.769 307 E CB 1.647 31.302 29.700 -0.075 0.000 1.185 307 E HN 0.870 nan 8.360 nan 0.000 0.415 308 T N 0.783 115.296 114.554 -0.069 0.000 2.919 308 T HA 0.548 4.898 4.350 0.000 0.000 0.282 308 T C 0.298 174.966 174.700 -0.054 0.000 1.020 308 T CA -0.549 61.513 62.100 -0.064 0.000 0.994 308 T CB 1.048 69.876 68.868 -0.067 0.000 1.180 308 T HN 0.476 nan 8.240 nan 0.000 0.566 309 S N 0.140 115.803 115.700 -0.062 0.000 2.585 309 S HA 0.339 4.809 4.470 0.000 0.000 0.273 309 S C 0.547 175.124 174.600 -0.038 0.000 1.339 309 S CA -0.985 57.188 58.200 -0.045 0.000 1.028 309 S CB -0.576 62.588 63.200 -0.059 0.000 0.906 309 S HN 0.676 nan 8.310 nan 0.000 0.528 310 I N 2.085 122.648 120.570 -0.012 0.000 2.872 310 I HA 0.033 4.203 4.170 0.000 0.000 0.287 310 I C 0.935 177.043 176.117 -0.015 0.000 1.197 310 I CA 0.079 61.377 61.300 -0.004 0.000 1.390 310 I CB -0.866 37.151 38.000 0.029 0.000 1.400 310 I HN 0.781 nan 8.210 nan 0.000 0.544 311 A N 6.967 129.775 122.820 -0.020 0.000 2.328 311 A HA 0.257 4.577 4.320 0.000 0.000 0.284 311 A C 0.924 178.501 177.584 -0.012 0.000 1.160 311 A CA -0.441 51.579 52.037 -0.028 0.000 0.818 311 A CB 0.977 19.962 19.000 -0.025 0.000 1.087 311 A HN 0.797 nan 8.150 nan 0.000 0.504 312 E N 0.788 120.979 120.200 -0.015 0.000 2.206 312 E HA 0.063 4.413 4.350 0.000 0.000 0.195 312 E C -0.001 176.595 176.600 -0.007 0.000 0.935 312 E CA 0.580 56.976 56.400 -0.007 0.000 0.875 312 E CB 0.586 30.284 29.700 -0.003 0.000 0.841 312 E HN 0.700 nan 8.360 nan 0.000 0.477 313 c N 0.491 119.090 118.600 -0.002 0.000 2.667 313 c HA 0.759 5.329 4.570 0.000 0.000 0.323 313 c C -1.396 172.709 174.090 0.025 0.000 1.214 313 c CA -0.639 55.702 56.329 0.021 0.000 1.721 313 c CB 0.824 43.376 42.510 0.071 0.000 2.275 313 c HN 0.303 nan 8.230 nan 0.000 0.491 314 L N 2.562 123.820 121.223 0.058 0.000 2.549 314 L HA 0.683 5.023 4.340 0.000 0.000 0.259 314 L C -0.586 176.366 176.870 0.137 0.000 0.934 314 L CA 0.311 55.199 54.840 0.080 0.000 0.865 314 L CB 2.100 44.193 42.059 0.056 0.000 1.352 314 L HN 0.819 nan 8.230 nan 0.000 0.410 315 T N 2.927 117.596 114.554 0.191 0.000 3.237 315 T HA 0.369 4.719 4.350 0.000 0.000 0.319 315 T C -1.459 173.365 174.700 0.208 0.000 1.037 315 T CA -0.285 61.932 62.100 0.195 0.000 1.048 315 T CB 0.316 69.279 68.868 0.159 0.000 1.081 315 T HN 0.415 nan 8.240 nan 0.000 0.455 316 Y N 5.468 125.818 120.300 0.083 0.000 2.397 316 Y HA 0.597 5.147 4.550 0.000 0.000 0.335 316 Y C -0.230 175.700 175.900 0.050 0.000 1.213 316 Y CA 0.132 58.269 58.100 0.062 0.000 1.391 316 Y CB 0.446 38.932 38.460 0.042 0.000 1.293 316 Y HN 0.696 nan 8.280 nan 0.000 0.557 317 L N 1.448 122.277 121.223 -0.657 0.000 2.931 317 L HA 0.325 4.665 4.340 0.000 0.000 0.225 317 L C -0.768 175.803 176.870 -0.499 0.000 1.998 317 L CA -1.001 53.600 54.840 -0.398 0.000 2.541 317 L CB 0.263 42.182 42.059 -0.234 0.000 2.490 317 L HN 0.379 nan 8.230 nan 0.000 0.610 318 D N 1.155 121.377 120.400 -0.298 0.000 2.317 318 D HA 0.132 4.772 4.640 0.000 0.000 0.252 318 D C -0.657 175.502 176.300 -0.234 0.000 1.174 318 D CA 0.242 54.128 54.000 -0.191 0.000 0.866 318 D CB 0.064 40.811 40.800 -0.088 0.000 1.127 318 D HN 0.358 nan 8.370 nan 0.000 0.467 319 N N 3.318 121.939 118.700 -0.131 0.000 2.681 319 N HA -0.167 4.573 4.740 0.000 0.000 0.259 319 N C 0.935 176.444 175.510 -0.001 0.000 1.066 319 N CA 1.127 54.175 53.050 -0.004 0.000 0.717 319 N CB -1.253 37.235 38.487 0.002 0.000 0.885 319 N HN 0.805 nan 8.380 nan 0.000 0.547 320 G N -2.734 106.108 108.800 0.070 0.000 2.234 320 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 320 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 320 G C 0.109 175.027 174.900 0.030 0.000 0.987 320 G CA 0.346 45.532 45.100 0.144 0.000 0.625 320 G HN 0.581 nan 8.290 nan 0.000 0.532 321 V N 1.068 120.895 119.914 -0.144 0.000 2.461 321 V HA 0.594 4.714 4.120 0.000 0.000 0.275 321 V C 0.467 176.467 176.094 -0.157 0.000 1.047 321 V CA -0.419 61.813 62.300 -0.114 0.000 0.955 321 V CB 1.664 33.427 31.823 -0.100 0.000 0.988 321 V HN 0.255 nan 8.190 nan 0.000 0.471 322 V N 5.719 125.632 119.914 -0.003 0.000 2.588 322 V HA 0.444 4.564 4.120 0.000 0.000 0.304 322 V C -0.673 175.492 176.094 0.119 0.000 1.042 322 V CA -0.681 61.663 62.300 0.074 0.000 0.877 322 V CB 1.913 33.814 31.823 0.129 0.000 0.996 322 V HN 0.711 nan 8.190 nan 0.000 0.425 323 F N 5.519 125.472 119.950 0.005 0.000 2.394 323 F HA 0.647 5.174 4.527 -0.000 0.000 0.340 323 F C -0.141 175.681 175.800 0.037 0.000 1.105 323 F CA -0.328 57.685 58.000 0.023 0.000 1.124 323 F CB 1.458 40.453 39.000 -0.007 0.000 1.145 323 F HN 0.223 nan 8.300 nan 0.000 0.505 324 V N 6.121 125.595 119.914 -0.734 0.000 2.293 324 V HA 0.412 4.532 4.120 0.000 0.000 0.275 324 V C 0.394 176.034 176.094 -0.757 0.000 1.021 324 V CA -0.632 61.354 62.300 -0.523 0.000 0.815 324 V CB 0.873 32.519 31.823 -0.295 0.000 1.025 324 V HN 0.982 nan 8.190 nan 0.000 0.448 325 G N 2.851 111.385 108.800 -0.442 0.000 2.338 325 G HA2 0.443 4.403 3.960 0.000 0.000 0.295 325 G HA3 0.443 4.403 3.960 0.000 0.000 0.295 325 G C -0.125 174.713 174.900 -0.102 0.000 1.132 325 G CA -0.083 44.895 45.100 -0.203 0.000 0.922 325 G HN 0.612 nan 8.290 nan 0.000 0.427 326 S N 1.529 117.180 115.700 -0.082 0.000 2.537 326 S HA 0.481 4.951 4.470 0.000 0.000 0.301 326 S C 1.159 175.752 174.600 -0.011 0.000 1.092 326 S CA -0.854 57.320 58.200 -0.043 0.000 1.048 326 S CB 1.461 64.631 63.200 -0.051 0.000 1.053 326 S HN 0.623 nan 8.310 nan 0.000 0.501 327 R N 2.088 122.586 120.500 -0.003 0.000 2.221 327 R HA 0.226 4.566 4.340 0.000 0.000 0.195 327 R C 1.011 177.312 176.300 0.001 0.000 0.956 327 R CA 0.236 56.336 56.100 -0.000 0.000 1.064 327 R CB -0.203 30.097 30.300 -0.001 0.000 1.049 327 R HN 0.438 nan 8.270 nan 0.000 0.534 328 L N -0.158 121.075 121.223 0.017 0.000 2.418 328 L HA 0.184 4.524 4.340 0.000 0.000 0.218 328 L C 1.054 177.927 176.870 0.005 0.000 1.125 328 L CA 0.892 55.748 54.840 0.027 0.000 0.835 328 L CB -0.095 42.025 42.059 0.101 0.000 0.953 328 L HN 0.163 nan 8.230 nan 0.000 0.454 329 G N -2.721 106.077 108.800 -0.004 0.000 2.827 329 G HA2 0.337 4.297 3.960 0.000 0.000 0.296 329 G HA3 0.337 4.297 3.960 0.000 0.000 0.296 329 G C -1.479 173.404 174.900 -0.027 0.000 1.362 329 G CA -0.592 44.495 45.100 -0.021 0.000 0.809 329 G HN -0.170 nan 8.290 nan 0.000 0.522 330 D N 0.689 121.066 120.400 -0.038 0.000 2.425 330 D HA 0.415 5.055 4.640 0.000 0.000 0.247 330 D C 0.653 176.931 176.300 -0.037 0.000 1.147 330 D CA 0.528 54.510 54.000 -0.030 0.000 0.879 330 D CB 1.238 42.003 40.800 -0.058 0.000 1.179 330 D HN 0.151 nan 8.370 nan 0.000 0.456 331 S N 1.240 116.955 115.700 0.026 0.000 2.593 331 S HA 0.329 4.799 4.470 0.000 0.000 0.269 331 S C 0.164 174.750 174.600 -0.023 0.000 1.334 331 S CA -0.615 57.585 58.200 -0.001 0.000 1.015 331 S CB 0.756 64.017 63.200 0.103 0.000 0.912 331 S HN 0.467 nan 8.310 nan 0.000 0.541 332 Q N 0.557 120.233 119.800 -0.206 0.000 2.626 332 Q HA 0.702 5.042 4.340 0.000 0.000 0.300 332 Q C -2.015 173.882 176.000 -0.172 0.000 0.988 332 Q CA -1.046 54.564 55.803 -0.322 0.000 0.761 332 Q CB 1.030 29.598 28.738 -0.283 0.000 1.494 332 Q HN 0.405 nan 8.270 nan 0.000 0.439 333 L N 1.849 122.975 121.223 -0.161 0.000 2.349 333 L HA 0.666 5.006 4.340 0.000 0.000 0.278 333 L C -0.996 175.839 176.870 -0.057 0.000 0.996 333 L CA -0.593 54.260 54.840 0.022 0.000 0.825 333 L CB 1.823 43.951 42.059 0.115 0.000 1.243 333 L HN 0.657 nan 8.230 nan 0.000 0.412 334 V N 1.706 121.604 119.914 -0.027 0.000 3.001 334 V HA 0.808 4.928 4.120 0.000 0.000 0.314 334 V C -0.816 175.278 176.094 0.001 0.000 1.099 334 V CA -0.950 61.333 62.300 -0.030 0.000 0.989 334 V CB 2.002 33.803 31.823 -0.037 0.000 1.040 334 V HN 0.765 nan 8.190 nan 0.000 0.434 335 K N 3.258 123.661 120.400 0.004 0.000 2.182 335 K HA 0.689 5.009 4.320 0.000 0.000 0.262 335 K C -1.206 175.426 176.600 0.053 0.000 0.957 335 K CA -0.575 55.727 56.287 0.025 0.000 0.842 335 K CB 1.379 33.887 32.500 0.014 0.000 1.099 335 K HN 0.880 nan 8.250 nan 0.000 0.438 336 L N 4.440 125.715 121.223 0.085 0.000 2.272 336 L HA 0.459 4.799 4.340 0.000 0.000 0.289 336 L C -0.288 176.654 176.870 0.120 0.000 1.032 336 L CA -0.914 53.995 54.840 0.115 0.000 0.810 336 L CB 1.287 43.428 42.059 0.137 0.000 1.205 336 L HN 0.645 nan 8.230 nan 0.000 0.422 337 N N 1.362 120.155 118.700 0.155 0.000 2.384 337 N HA 0.284 5.024 4.740 0.000 0.000 0.301 337 N C 0.726 176.390 175.510 0.256 0.000 1.133 337 N CA -0.583 52.559 53.050 0.154 0.000 0.853 337 N CB 2.714 41.259 38.487 0.096 0.000 1.241 337 N HN 0.212 nan 8.380 nan 0.000 0.502 338 V N -0.024 119.999 119.914 0.182 0.000 2.719 338 V HA -0.042 4.078 4.120 0.000 0.000 0.252 338 V C 0.206 176.498 176.094 0.330 0.000 1.065 338 V CA 1.299 63.713 62.300 0.190 0.000 1.086 338 V CB -0.296 31.586 31.823 0.099 0.000 0.700 338 V HN 0.550 nan 8.190 nan 0.000 0.467 339 D N 0.464 120.991 120.400 0.211 0.000 2.256 339 D HA 0.377 5.017 4.640 0.000 0.000 0.246 339 D C -0.065 176.101 176.300 -0.224 0.000 1.042 339 D CA 0.069 54.116 54.000 0.079 0.000 0.841 339 D CB 2.052 42.862 40.800 0.017 0.000 1.223 339 D HN 0.324 nan 8.370 nan 0.000 0.470 340 S N 1.679 116.997 115.700 -0.638 0.000 2.593 340 S HA 0.155 4.626 4.470 0.000 0.000 0.269 340 S C 0.525 174.906 174.600 -0.364 0.000 1.334 340 S CA -0.569 57.112 58.200 -0.866 0.000 1.015 340 S CB 1.022 63.655 63.200 -0.945 0.000 0.912 340 S HN 0.565 nan 8.310 nan 0.000 0.541 341 N N 0.934 119.464 118.700 -0.284 0.000 2.694 341 N HA 0.295 5.035 4.740 0.000 0.000 0.303 341 N C -0.960 174.464 175.510 -0.143 0.000 1.364 341 N CA -0.625 52.327 53.050 -0.164 0.000 0.862 341 N CB -0.810 37.606 38.487 -0.119 0.000 1.107 341 N HN 0.682 nan 8.380 nan 0.000 0.512 342 E N -0.635 119.504 120.200 -0.102 0.000 2.316 342 E HA 0.200 4.550 4.350 0.000 0.000 0.275 342 E C -0.496 176.053 176.600 -0.085 0.000 1.029 342 E CA 0.193 56.543 56.400 -0.083 0.000 0.871 342 E CB 0.504 30.166 29.700 -0.063 0.000 1.022 342 E HN 0.545 nan 8.360 nan 0.000 0.418 343 Q N 1.493 121.247 119.800 -0.076 0.000 2.376 343 Q HA -0.195 4.145 4.340 0.000 0.000 0.187 343 Q C 0.705 176.659 176.000 -0.077 0.000 0.603 343 Q CA 0.485 56.248 55.803 -0.068 0.000 1.346 343 Q CB -1.586 27.114 28.738 -0.064 0.000 1.243 343 Q HN 0.981 nan 8.270 nan 0.000 0.930 344 G N 0.231 108.962 108.800 -0.115 0.000 2.137 344 G HA2 -0.301 3.659 3.960 0.000 0.000 0.237 344 G HA3 -0.301 3.659 3.960 0.000 0.000 0.237 344 G C -0.139 174.651 174.900 -0.184 0.000 1.002 344 G CA 0.421 45.438 45.100 -0.140 0.000 0.702 344 G HN 0.518 nan 8.290 nan 0.000 0.515 345 S N -0.449 115.129 115.700 -0.203 0.000 2.430 345 S HA 0.585 5.055 4.470 0.000 0.000 0.289 345 S C 1.197 175.653 174.600 -0.241 0.000 1.143 345 S CA -0.490 57.623 58.200 -0.147 0.000 1.067 345 S CB 0.333 63.478 63.200 -0.092 0.000 0.964 345 S HN 0.292 nan 8.310 nan 0.000 0.485 346 Y N 3.363 123.639 120.300 -0.040 0.000 2.546 346 Y HA 0.167 4.717 4.550 0.000 0.000 0.287 346 Y C 0.696 176.581 175.900 -0.025 0.000 1.158 346 Y CA -0.018 58.066 58.100 -0.027 0.000 1.307 346 Y CB 0.228 38.675 38.460 -0.022 0.000 1.036 346 Y HN 0.385 nan 8.280 nan 0.000 0.532 347 V N 0.837 120.793 119.914 0.071 0.000 2.427 347 V HA 0.406 4.526 4.120 0.000 0.000 0.286 347 V C -0.257 175.833 176.094 -0.007 0.000 1.034 347 V CA -1.039 61.281 62.300 0.032 0.000 0.893 347 V CB 1.715 33.542 31.823 0.007 0.000 0.982 347 V HN -0.241 nan 8.190 nan 0.000 0.452 348 V N 3.721 123.630 119.914 -0.008 0.000 2.525 348 V HA 0.669 4.789 4.120 0.000 0.000 0.299 348 V C 0.505 176.576 176.094 -0.038 0.000 1.034 348 V CA -0.688 61.596 62.300 -0.028 0.000 0.863 348 V CB 1.894 33.700 31.823 -0.028 0.000 0.999 348 V HN 1.092 nan 8.190 nan 0.000 0.423 349 A N 5.550 128.336 122.820 -0.057 0.000 2.561 349 A HA 0.382 4.702 4.320 0.000 0.000 0.234 349 A C 0.688 178.226 177.584 -0.077 0.000 1.055 349 A CA 0.715 52.703 52.037 -0.081 0.000 0.756 349 A CB 0.199 19.141 19.000 -0.097 0.000 0.986 349 A HN 0.929 nan 8.150 nan 0.000 0.505 350 M N 0.027 119.570 119.600 -0.096 0.000 2.532 350 M HA 0.238 4.718 4.480 0.000 0.000 0.244 350 M C 0.188 176.413 176.300 -0.124 0.000 1.390 350 M CA 0.757 56.009 55.300 -0.080 0.000 1.132 350 M CB 0.593 33.164 32.600 -0.048 0.000 1.466 350 M HN 0.749 nan 8.290 nan 0.000 0.550 351 E N -0.167 119.903 120.200 -0.217 0.000 2.372 351 E HA 0.434 4.784 4.350 0.000 0.000 0.279 351 E C -1.375 174.829 176.600 -0.661 0.000 0.946 351 E CA -0.384 55.782 56.400 -0.391 0.000 0.769 351 E CB 3.017 32.480 29.700 -0.395 0.000 1.230 351 E HN -0.139 nan 8.360 nan 0.000 0.442 352 T N 1.774 115.889 114.554 -0.731 0.000 2.881 352 T HA 0.539 4.889 4.350 0.000 0.000 0.290 352 T C -1.250 173.042 174.700 -0.680 0.000 1.000 352 T CA -0.551 61.162 62.100 -0.646 0.000 0.978 352 T CB 0.397 69.082 68.868 -0.305 0.000 0.997 352 T HN 0.235 nan 8.240 nan 0.000 0.443 353 F N 1.489 121.410 119.950 -0.048 0.000 2.460 353 F HA 0.328 4.855 4.527 -0.000 0.000 0.341 353 F C 1.128 176.902 175.800 -0.044 0.000 1.130 353 F CA -1.139 56.841 58.000 -0.032 0.000 0.962 353 F CB 1.141 40.145 39.000 0.007 0.000 1.171 353 F HN 0.342 nan 8.300 nan 0.000 0.436 354 T N 2.756 117.378 114.554 0.112 0.000 2.765 354 T HA -0.153 4.197 4.350 0.000 0.000 0.275 354 T C -0.076 174.647 174.700 0.038 0.000 1.007 354 T CA 0.768 62.888 62.100 0.033 0.000 1.175 354 T CB -0.415 68.451 68.868 -0.004 0.000 0.993 354 T HN 0.454 nan 8.240 nan 0.000 0.510 355 N N 3.279 121.981 118.700 0.004 0.000 2.399 355 N HA 0.265 5.005 4.740 0.000 0.000 0.280 355 N C 0.386 175.876 175.510 -0.033 0.000 1.008 355 N CA -0.752 52.296 53.050 -0.004 0.000 0.894 355 N CB 0.946 39.433 38.487 0.000 0.000 1.273 355 N HN 0.454 nan 8.380 nan 0.000 0.486 356 L N 2.349 123.550 121.223 -0.036 0.000 2.612 356 L HA 0.315 4.655 4.340 0.000 0.000 0.230 356 L C 1.340 178.180 176.870 -0.050 0.000 1.140 356 L CA 0.204 55.012 54.840 -0.054 0.000 0.896 356 L CB -1.122 40.903 42.059 -0.058 0.000 1.065 356 L HN 0.845 nan 8.230 nan 0.000 0.447 357 G N 0.884 109.662 108.800 -0.037 0.000 2.645 357 G HA2 -0.243 3.717 3.960 0.000 0.000 0.246 357 G HA3 -0.243 3.717 3.960 0.000 0.000 0.246 357 G C -2.725 172.155 174.900 -0.033 0.000 1.322 357 G CA -0.959 44.118 45.100 -0.037 0.000 0.898 357 G HN 0.100 nan 8.290 nan 0.000 0.573 358 P HA 0.417 nan 4.420 nan 0.000 0.276 358 P C 0.003 177.281 177.300 -0.038 0.000 1.243 358 P CA -0.081 63.000 63.100 -0.031 0.000 0.768 358 P CB 0.456 32.128 31.700 -0.047 0.000 0.856 359 I N 4.143 124.701 120.570 -0.019 0.000 2.281 359 I HA 0.020 4.190 4.170 0.000 0.000 0.293 359 I C 1.639 177.751 176.117 -0.007 0.000 1.085 359 I CA -0.247 61.038 61.300 -0.026 0.000 1.257 359 I CB 1.018 39.003 38.000 -0.025 0.000 1.430 359 I HN 0.233 nan 8.210 nan 0.000 0.489 360 V N 1.582 121.482 119.914 -0.022 0.000 2.951 360 V HA 0.181 4.301 4.120 0.000 0.000 0.255 360 V C 0.269 176.372 176.094 0.016 0.000 1.088 360 V CA 1.036 63.336 62.300 -0.001 0.000 1.109 360 V CB -0.100 31.707 31.823 -0.027 0.000 0.724 360 V HN 0.796 nan 8.190 nan 0.000 0.471 361 D N -0.940 119.461 120.400 0.002 0.000 2.755 361 D HA 0.567 5.207 4.640 0.000 0.000 0.277 361 D C -0.851 175.454 176.300 0.008 0.000 1.261 361 D CA -0.114 53.898 54.000 0.019 0.000 0.759 361 D CB 1.658 42.478 40.800 0.034 0.000 1.279 361 D HN 0.467 nan 8.370 nan 0.000 0.420 362 M N -0.489 119.129 119.600 0.031 0.000 3.012 362 M HA 0.735 5.215 4.480 0.000 0.000 0.272 362 M C -1.494 174.849 176.300 0.073 0.000 1.187 362 M CA -0.846 54.471 55.300 0.029 0.000 0.813 362 M CB 1.918 34.522 32.600 0.006 0.000 1.626 362 M HN 0.812 nan 8.290 nan 0.000 0.507 363 C N -0.635 118.713 119.300 0.081 0.000 3.311 363 C HA 0.912 5.372 4.460 0.000 0.000 0.325 363 C C -1.173 173.885 174.990 0.115 0.000 1.352 363 C CA -0.791 58.305 59.018 0.129 0.000 1.308 363 C CB 1.317 29.179 27.740 0.202 0.000 1.619 363 C HN 0.893 nan 8.230 nan 0.000 0.469 364 V N 2.067 122.053 119.914 0.120 0.000 2.459 364 V HA 0.808 4.928 4.120 0.000 0.000 0.295 364 V C 0.210 176.352 176.094 0.079 0.000 1.029 364 V CA -0.166 62.189 62.300 0.090 0.000 0.874 364 V CB 1.245 33.117 31.823 0.083 0.000 0.985 364 V HN 1.179 nan 8.190 nan 0.000 0.438 365 V N 0.666 120.601 119.914 0.036 0.000 3.040 365 V HA 0.676 4.796 4.120 0.000 0.000 0.312 365 V C -0.977 175.097 176.094 -0.034 0.000 1.115 365 V CA -0.977 61.285 62.300 -0.063 0.000 0.998 365 V CB 2.394 34.051 31.823 -0.277 0.000 1.042 365 V HN 0.641 nan 8.190 nan 0.000 0.433 366 D N 2.095 122.467 120.400 -0.047 0.000 2.524 366 D HA 0.446 5.086 4.640 0.000 0.000 0.222 366 D C 0.983 177.273 176.300 -0.017 0.000 1.142 366 D CA 0.037 54.033 54.000 -0.007 0.000 0.973 366 D CB 0.852 41.664 40.800 0.020 0.000 1.025 366 D HN 0.542 nan 8.370 nan 0.000 0.519 367 L N 0.982 122.206 121.223 0.001 0.000 1.961 367 L HA -0.088 4.252 4.340 0.000 0.000 0.209 367 L C 1.549 178.470 176.870 0.085 0.000 1.075 367 L CA 0.925 55.787 54.840 0.037 0.000 0.749 367 L CB -0.095 42.030 42.059 0.110 0.000 0.890 367 L HN 0.276 nan 8.230 nan 0.000 0.433 368 E N 0.743 120.995 120.200 0.086 0.000 2.352 368 E HA -0.118 4.232 4.350 0.000 0.000 0.197 368 E C 0.505 177.144 176.600 0.065 0.000 1.224 368 E CA 0.027 56.479 56.400 0.086 0.000 1.118 368 E CB -0.059 29.684 29.700 0.071 0.000 1.198 368 E HN 0.218 nan 8.360 nan 0.000 0.454 369 R N 0.020 120.559 120.500 0.064 0.000 4.070 369 R HA -0.255 4.085 4.340 0.000 0.000 0.439 369 R C -0.178 176.145 176.300 0.038 0.000 0.831 369 R CA 2.049 58.181 56.100 0.054 0.000 1.684 369 R CB -1.478 28.855 30.300 0.056 0.000 2.331 369 R HN 0.462 nan 8.270 nan 0.000 0.477 370 Q N -1.320 118.500 119.800 0.034 0.000 2.368 370 Q HA 0.448 4.788 4.340 0.000 0.000 0.237 370 Q C 1.339 177.351 176.000 0.021 0.000 0.987 370 Q CA 0.251 56.068 55.803 0.023 0.000 0.896 370 Q CB 0.476 29.225 28.738 0.019 0.000 1.241 370 Q HN 0.292 nan 8.270 nan 0.000 0.485 371 G N 0.961 109.770 108.800 0.015 0.000 3.135 371 G HA2 -0.059 3.901 3.960 0.000 0.000 0.208 371 G HA3 -0.059 3.901 3.960 0.000 0.000 0.208 371 G C -0.376 174.532 174.900 0.013 0.000 1.212 371 G CA -0.148 44.961 45.100 0.014 0.000 0.928 371 G HN 0.567 nan 8.290 nan 0.000 0.500 372 Q N 0.005 119.814 119.800 0.014 0.000 2.257 372 Q HA 0.592 4.932 4.340 0.000 0.000 0.255 372 Q C 0.361 176.374 176.000 0.022 0.000 0.920 372 Q CA -0.717 55.095 55.803 0.015 0.000 0.927 372 Q CB 1.341 30.085 28.738 0.010 0.000 1.229 372 Q HN 0.003 nan 8.270 nan 0.000 0.433 373 G N 2.072 110.887 108.800 0.025 0.000 2.441 373 G HA2 0.290 4.250 3.960 0.000 0.000 0.243 373 G HA3 0.290 4.250 3.960 0.000 0.000 0.243 373 G C -0.895 174.024 174.900 0.032 0.000 1.281 373 G CA -0.424 44.695 45.100 0.031 0.000 0.854 373 G HN 0.639 nan 8.290 nan 0.000 0.560 374 Q N -0.014 119.808 119.800 0.035 0.000 2.356 374 Q HA 0.531 4.871 4.340 0.000 0.000 0.270 374 Q C -1.274 174.749 176.000 0.037 0.000 1.058 374 Q CA -0.815 55.012 55.803 0.040 0.000 0.802 374 Q CB 2.312 31.083 28.738 0.055 0.000 1.303 374 Q HN 0.459 nan 8.270 nan 0.000 0.444 375 L N 3.963 125.198 121.223 0.021 0.000 2.313 375 L HA 0.668 5.008 4.340 0.000 0.000 0.283 375 L C -1.442 175.410 176.870 -0.030 0.000 1.013 375 L CA -0.655 54.189 54.840 0.006 0.000 0.816 375 L CB 1.831 43.888 42.059 -0.004 0.000 1.236 375 L HN 0.473 nan 8.230 nan 0.000 0.419 376 V N 4.179 124.066 119.914 -0.044 0.000 2.407 376 V HA 0.736 4.856 4.120 0.000 0.000 0.291 376 V C -0.242 175.782 176.094 -0.116 0.000 1.018 376 V CA 0.276 62.499 62.300 -0.128 0.000 0.842 376 V CB 1.678 33.345 31.823 -0.260 0.000 0.996 376 V HN 0.940 nan 8.190 nan 0.000 0.426 377 T N 3.238 117.719 114.554 -0.123 0.000 2.902 377 T HA 0.494 4.844 4.350 0.000 0.000 0.283 377 T C -0.005 174.628 174.700 -0.112 0.000 1.009 377 T CA -0.533 61.510 62.100 -0.096 0.000 1.051 377 T CB 1.083 69.897 68.868 -0.090 0.000 0.999 377 T HN 0.855 nan 8.240 nan 0.000 0.474 378 C N 3.446 122.695 119.300 -0.084 0.000 2.349 378 C HA 0.649 5.109 4.460 0.000 0.000 0.348 378 C C 0.727 175.661 174.990 -0.094 0.000 1.223 378 C CA -0.385 58.577 59.018 -0.093 0.000 1.746 378 C CB -1.339 26.358 27.740 -0.072 0.000 2.360 378 C HN 0.946 nan 8.230 nan 0.000 0.533 379 S N 1.701 117.332 115.700 -0.114 0.000 2.542 379 S HA 0.898 5.368 4.470 0.000 0.000 0.293 379 S C 0.307 174.834 174.600 -0.122 0.000 1.089 379 S CA 0.508 58.643 58.200 -0.108 0.000 0.961 379 S CB 1.769 64.904 63.200 -0.108 0.000 1.062 379 S HN 1.489 nan 8.310 nan 0.000 0.483 380 G N 1.047 109.782 108.800 -0.108 0.000 2.693 380 G HA2 0.365 4.325 3.960 0.000 0.000 0.226 380 G HA3 0.365 4.325 3.960 0.000 0.000 0.226 380 G C -0.409 174.390 174.900 -0.168 0.000 1.354 380 G CA -0.168 44.866 45.100 -0.109 0.000 0.873 380 G HN 1.649 nan 8.290 nan 0.000 0.562 381 A N -1.956 120.756 122.820 -0.181 0.000 2.601 381 A HA 1.009 5.329 4.320 0.000 0.000 0.291 381 A C 0.321 177.752 177.584 -0.254 0.000 1.075 381 A CA 0.426 52.217 52.037 -0.411 0.000 0.671 381 A CB 0.191 18.785 19.000 -0.677 0.000 1.277 381 A HN 2.346 nan 8.150 nan 0.000 0.417 382 F N -0.331 119.589 119.950 -0.050 0.000 1.710 382 F HA -0.442 4.085 4.527 0.000 0.000 0.111 382 F C 2.268 178.055 175.800 -0.022 0.000 0.356 382 F CA 1.941 59.921 58.000 -0.034 0.000 0.577 382 F CB -0.845 38.142 39.000 -0.020 0.000 0.855 382 F HN 0.861 nan 8.300 nan 0.000 0.649 383 K N 0.796 121.348 120.400 0.254 0.000 2.211 383 K HA -0.155 4.165 4.320 0.000 0.000 0.204 383 K C 1.063 177.729 176.600 0.110 0.000 1.047 383 K CA 2.032 58.426 56.287 0.178 0.000 0.935 383 K CB -0.354 32.239 32.500 0.154 0.000 0.728 383 K HN 0.557 nan 8.250 nan 0.000 0.452 384 E N 1.275 121.519 120.200 0.073 0.000 2.511 384 E HA 0.034 4.384 4.350 0.000 0.000 0.196 384 E C 0.891 177.436 176.600 -0.090 0.000 1.066 384 E CA 0.558 56.954 56.400 -0.006 0.000 0.871 384 E CB -0.159 29.547 29.700 0.010 0.000 0.863 384 E HN 0.477 nan 8.360 nan 0.000 0.520 385 G N 1.523 110.254 108.800 -0.115 0.000 2.554 385 G HA2 0.250 4.210 3.960 0.000 0.000 0.238 385 G HA3 0.250 4.210 3.960 0.000 0.000 0.238 385 G C 0.051 174.821 174.900 -0.217 0.000 1.259 385 G CA 0.442 45.440 45.100 -0.170 0.000 0.843 385 G HN 0.203 nan 8.290 nan 0.000 0.582 386 S N 0.132 115.714 115.700 -0.197 0.000 2.595 386 S HA 0.518 4.988 4.470 0.000 0.000 0.270 386 S C -0.954 173.536 174.600 -0.183 0.000 1.145 386 S CA -1.047 57.027 58.200 -0.209 0.000 0.825 386 S CB 0.767 63.845 63.200 -0.203 0.000 1.107 386 S HN 0.649 nan 8.310 nan 0.000 0.461 387 L N 1.528 122.633 121.223 -0.196 0.000 2.357 387 L HA 0.694 5.034 4.340 0.000 0.000 0.273 387 L C 0.149 176.872 176.870 -0.246 0.000 1.080 387 L CA -0.973 53.739 54.840 -0.213 0.000 0.803 387 L CB 0.773 42.693 42.059 -0.232 0.000 1.174 387 L HN 0.562 nan 8.230 nan 0.000 0.443 388 R N 3.111 123.475 120.500 -0.227 0.000 2.451 388 R HA 0.478 4.818 4.340 0.000 0.000 0.307 388 R C -1.156 175.008 176.300 -0.227 0.000 0.965 388 R CA -0.816 55.149 56.100 -0.225 0.000 0.865 388 R CB 1.759 31.960 30.300 -0.165 0.000 1.174 388 R HN 0.422 nan 8.270 nan 0.000 0.455 389 I N 4.560 124.967 120.570 -0.273 0.000 2.337 389 I HA 0.278 4.448 4.170 0.000 0.000 0.291 389 I C 0.426 176.485 176.117 -0.098 0.000 1.046 389 I CA 0.078 61.263 61.300 -0.191 0.000 1.324 389 I CB 0.447 38.306 38.000 -0.235 0.000 1.409 389 I HN 0.378 nan 8.210 nan 0.000 0.494 390 I N 6.625 127.163 120.570 -0.052 0.000 2.378 390 I HA 0.517 4.687 4.170 0.000 0.000 0.291 390 I C 0.100 176.236 176.117 0.031 0.000 0.992 390 I CA -0.625 60.663 61.300 -0.020 0.000 1.154 390 I CB 1.167 39.144 38.000 -0.038 0.000 1.315 390 I HN 0.504 nan 8.210 nan 0.000 0.448 391 R N 4.961 125.508 120.500 0.077 0.000 2.561 391 R HA 0.357 4.697 4.340 0.000 0.000 0.297 391 R C -0.841 175.502 176.300 0.072 0.000 0.969 391 R CA -0.769 55.381 56.100 0.083 0.000 0.879 391 R CB 1.717 32.085 30.300 0.114 0.000 1.178 391 R HN 0.626 nan 8.270 nan 0.000 0.445 392 N N 1.321 120.045 118.700 0.041 0.000 2.513 392 N HA 0.190 4.930 4.740 0.000 0.000 0.268 392 N C 0.063 175.585 175.510 0.020 0.000 1.180 392 N CA 1.686 54.753 53.050 0.028 0.000 0.948 392 N CB 1.151 39.646 38.487 0.013 0.000 1.083 392 N HN 0.872 nan 8.380 nan 0.000 0.455 393 G N 1.624 110.437 108.800 0.021 0.000 2.756 393 G HA2 -0.201 3.759 3.960 0.000 0.000 0.678 393 G HA3 -0.201 3.759 3.960 0.000 0.000 0.678 393 G C -0.556 174.347 174.900 0.006 0.000 1.349 393 G CA -0.719 44.385 45.100 0.007 0.000 0.847 393 G HN 0.554 nan 8.290 nan 0.000 0.548 394 I N 1.310 121.876 120.570 -0.006 0.000 2.385 394 I HA 0.609 4.779 4.170 0.000 0.000 0.294 394 I C 1.178 177.255 176.117 -0.067 0.000 0.988 394 I CA -0.068 61.224 61.300 -0.014 0.000 1.265 394 I CB 1.630 39.648 38.000 0.030 0.000 1.388 394 I HN 0.850 nan 8.210 nan 0.000 0.480 395 G N 5.568 114.295 108.800 -0.122 0.000 2.454 395 G HA2 0.789 4.749 3.960 0.000 0.000 0.329 395 G HA3 0.789 4.749 3.960 0.000 0.000 0.329 395 G C -1.076 173.695 174.900 -0.214 0.000 1.177 395 G CA -0.500 44.506 45.100 -0.158 0.000 0.951 395 G HN 0.615 nan 8.290 nan 0.000 0.485 396 I N -2.478 117.963 120.570 -0.214 0.000 2.686 396 I HA 0.493 4.663 4.170 0.000 0.000 0.295 396 I C -1.036 174.950 176.117 -0.218 0.000 1.114 396 I CA -1.322 59.814 61.300 -0.273 0.000 1.038 396 I CB 1.978 39.884 38.000 -0.158 0.000 1.238 396 I HN 0.534 nan 8.210 nan 0.000 0.420 397 H N 3.434 122.494 119.070 -0.017 0.000 2.911 397 H HA 0.354 4.910 4.556 -0.000 0.000 0.273 397 H C -0.800 174.526 175.328 -0.003 0.000 1.157 397 H CA -0.425 55.647 56.048 0.039 0.000 1.402 397 H CB 0.484 30.331 29.762 0.142 0.000 1.463 397 H HN 0.576 nan 8.280 nan 0.000 0.475 398 E N 3.270 123.552 120.200 0.137 0.000 2.265 398 E HA 0.044 4.394 4.350 0.000 0.000 0.272 398 E C -0.009 176.742 176.600 0.253 0.000 1.067 398 E CA 0.018 56.462 56.400 0.073 0.000 0.900 398 E CB 0.669 30.395 29.700 0.044 0.000 1.017 398 E HN 0.703 nan 8.360 nan 0.000 0.431 399 H N 1.300 120.420 119.070 0.082 0.000 3.397 399 H HA 0.472 5.028 4.556 -0.000 0.000 0.155 399 H C 0.196 175.583 175.328 0.098 0.000 1.557 399 H CA -1.201 54.932 56.048 0.141 0.000 1.675 399 H CB 0.304 30.251 29.762 0.308 0.000 1.056 399 H HN 0.530 nan 8.280 nan 0.000 0.889 400 A N 0.632 123.648 122.820 0.326 0.000 2.511 400 A HA 0.266 4.586 4.320 0.000 0.000 0.242 400 A C -0.447 177.136 177.584 -0.002 0.000 1.069 400 A CA 0.025 52.155 52.037 0.155 0.000 0.763 400 A CB -0.024 19.118 19.000 0.237 0.000 1.001 400 A HN 0.510 nan 8.150 nan 0.000 0.498 401 S N 1.867 117.569 115.700 0.003 0.000 2.721 401 S HA 0.391 4.861 4.470 0.000 0.000 0.264 401 S C -0.663 173.928 174.600 -0.015 0.000 1.161 401 S CA -0.358 57.823 58.200 -0.032 0.000 1.113 401 S CB 0.430 63.619 63.200 -0.020 0.000 1.079 401 S HN 0.543 nan 8.310 nan 0.000 0.479 402 I N 2.259 122.814 120.570 -0.026 0.000 2.452 402 I HA 0.139 4.309 4.170 0.000 0.000 0.287 402 I C 0.257 176.378 176.117 0.007 0.000 1.079 402 I CA -0.130 61.169 61.300 -0.002 0.000 1.387 402 I CB 0.180 38.179 38.000 -0.002 0.000 1.404 402 I HN 0.389 nan 8.210 nan 0.000 0.522 403 D N 6.200 126.611 120.400 0.019 0.000 2.597 403 D HA 0.182 4.822 4.640 0.000 0.000 0.228 403 D C -0.615 175.714 176.300 0.049 0.000 1.120 403 D CA 0.067 54.083 54.000 0.026 0.000 1.083 403 D CB -0.084 40.731 40.800 0.025 0.000 1.116 403 D HN 0.196 nan 8.370 nan 0.000 0.487 404 L N 2.916 124.173 121.223 0.056 0.000 2.276 404 L HA 0.502 4.842 4.340 0.000 0.000 0.286 404 L C -2.540 174.399 176.870 0.115 0.000 1.024 404 L CA -2.112 52.795 54.840 0.112 0.000 0.826 404 L CB 1.030 43.151 42.059 0.103 0.000 1.211 404 L HN 0.015 nan 8.230 nan 0.000 0.422 405 P HA 0.250 nan 4.420 nan 0.000 0.297 405 P C -0.371 176.779 177.300 -0.251 0.000 1.303 405 P CA -0.331 62.797 63.100 0.047 0.000 0.753 405 P CB 0.233 32.025 31.700 0.152 0.000 1.281 406 G N -0.128 108.424 108.800 -0.413 0.000 2.787 406 G HA2 -0.151 3.809 3.960 0.000 0.000 0.343 406 G HA3 -0.151 3.809 3.960 0.000 0.000 0.343 406 G C -0.311 174.028 174.900 -0.936 0.000 0.149 406 G CA 0.322 45.007 45.100 -0.690 0.000 1.222 406 G HN 0.330 nan 8.290 nan 0.000 0.477 407 I N 2.026 122.381 120.570 -0.358 0.000 2.892 407 I HA 0.502 4.672 4.170 0.000 0.000 0.306 407 I C 0.352 176.422 176.117 -0.080 0.000 1.078 407 I CA -1.134 60.063 61.300 -0.172 0.000 1.032 407 I CB 2.255 40.229 38.000 -0.043 0.000 1.229 407 I HN 0.278 nan 8.210 nan 0.000 0.435 408 K N 1.839 122.122 120.400 -0.196 0.000 2.558 408 K HA 0.413 4.733 4.320 0.000 0.000 0.215 408 K C -0.070 175.822 176.600 -1.180 0.000 1.298 408 K CA -0.010 56.022 56.287 -0.425 0.000 1.008 408 K CB 2.131 34.556 32.500 -0.125 0.000 1.073 408 K HN 0.902 nan 8.250 nan 0.000 0.606 409 G N 1.171 109.418 108.800 -0.921 0.000 2.338 409 G HA2 0.478 4.438 3.960 0.000 0.000 0.295 409 G HA3 0.478 4.438 3.960 0.000 0.000 0.295 409 G C -2.156 172.183 174.900 -0.934 0.000 1.461 409 G CA -0.831 43.627 45.100 -1.070 0.000 0.817 409 G HN 0.023 nan 8.290 nan 0.000 0.556 410 L N -3.531 116.851 121.223 -1.401 0.000 2.724 410 L HA 0.903 5.243 4.340 0.000 0.000 0.258 410 L C -1.422 174.794 176.870 -1.089 0.000 0.967 410 L CA -1.168 53.042 54.840 -1.050 0.000 0.891 410 L CB 1.500 43.333 42.059 -0.377 0.000 1.456 410 L HN 0.730 nan 8.230 nan 0.000 0.416 411 W N -0.205 121.001 121.300 -0.157 0.000 3.031 411 W HA 0.524 5.184 4.660 0.000 0.000 0.337 411 W C -2.523 173.854 176.519 -0.236 0.000 1.187 411 W CA -1.489 55.728 57.345 -0.213 0.000 1.166 411 W CB 2.145 31.424 29.460 -0.301 0.000 1.437 411 W HN 0.274 nan 8.180 nan 0.000 0.551 412 P HA 0.223 nan 4.420 nan 0.000 0.277 412 P C -0.729 176.352 177.300 -0.365 0.000 1.354 412 P CA 0.167 63.073 63.100 -0.324 0.000 0.891 412 P CB 0.732 32.247 31.700 -0.310 0.000 1.058 413 L N 3.652 124.662 121.223 -0.355 0.000 2.354 413 L HA 0.593 4.933 4.340 0.000 0.000 0.264 413 L C 0.619 177.539 176.870 0.085 0.000 1.008 413 L CA -0.894 53.891 54.840 -0.092 0.000 0.819 413 L CB 2.301 44.360 42.059 -0.001 0.000 1.339 413 L HN 0.162 nan 8.230 nan 0.000 0.420 414 R N 0.273 120.941 120.500 0.280 0.000 2.618 414 R HA 0.607 4.947 4.340 0.000 0.000 0.108 414 R C -0.199 176.183 176.300 0.137 0.000 1.220 414 R CA 0.262 56.573 56.100 0.352 0.000 1.020 414 R CB 1.023 31.518 30.300 0.326 0.000 0.950 414 R HN 0.610 nan 8.270 nan 0.000 0.397 415 S N -0.615 115.137 115.700 0.087 0.000 2.585 415 S HA 0.170 4.640 4.470 0.000 0.000 0.201 415 S C -1.716 172.900 174.600 0.026 0.000 0.826 415 S CA -0.364 57.856 58.200 0.032 0.000 1.552 415 S CB 0.271 63.480 63.200 0.016 0.000 1.270 415 S HN 0.524 nan 8.310 nan 0.000 0.586 416 D N 0.842 121.262 120.400 0.033 0.000 2.596 416 D HA 0.414 5.054 4.640 0.000 0.000 0.262 416 D C -2.757 173.555 176.300 0.020 0.000 1.210 416 D CA -1.007 53.003 54.000 0.017 0.000 0.873 416 D CB 2.300 43.098 40.800 -0.002 0.000 1.408 416 D HN -0.058 nan 8.370 nan 0.000 0.441 417 P HA 0.262 nan 4.420 nan 0.000 0.254 417 P C 0.039 177.333 177.300 -0.010 0.000 1.620 417 P CA 0.037 63.142 63.100 0.008 0.000 1.050 417 P CB 0.810 32.516 31.700 0.011 0.000 1.539 418 N N 0.930 119.615 118.700 -0.025 0.000 1.862 418 N HA 0.155 4.895 4.740 0.000 0.000 0.179 418 N C 0.246 175.719 175.510 -0.061 0.000 1.263 418 N CA -0.436 52.593 53.050 -0.035 0.000 1.036 418 N CB 0.029 38.499 38.487 -0.029 0.000 1.292 418 N HN 0.038 nan 8.380 nan 0.000 0.382 419 R N 2.126 122.582 120.500 -0.072 0.000 2.481 419 R HA -0.036 4.304 4.340 0.000 0.000 0.291 419 R C 0.172 176.358 176.300 -0.191 0.000 0.934 419 R CA 0.578 56.616 56.100 -0.103 0.000 1.116 419 R CB -0.157 30.089 30.300 -0.089 0.000 0.895 419 R HN 0.470 nan 8.270 nan 0.000 0.410 420 E N 1.231 121.313 120.200 -0.197 0.000 2.516 420 E HA -0.086 4.264 4.350 0.000 0.000 0.199 420 E C 0.419 176.641 176.600 -0.630 0.000 1.069 420 E CA 0.940 57.154 56.400 -0.310 0.000 0.876 420 E CB 0.095 29.711 29.700 -0.140 0.000 0.843 420 E HN 0.803 nan 8.360 nan 0.000 0.530 421 T N -1.412 112.862 114.554 -0.467 0.000 2.849 421 T HA 0.276 4.626 4.350 0.000 0.000 0.284 421 T C -0.349 174.023 174.700 -0.547 0.000 1.004 421 T CA -0.504 61.337 62.100 -0.432 0.000 1.021 421 T CB 0.606 69.401 68.868 -0.122 0.000 1.013 421 T HN -0.066 nan 8.240 nan 0.000 0.527 422 Y N -0.024 120.304 120.300 0.045 0.000 2.545 422 Y HA 0.450 5.000 4.550 0.000 0.000 0.348 422 Y C 0.736 176.663 175.900 0.045 0.000 1.002 422 Y CA -1.208 56.915 58.100 0.039 0.000 1.039 422 Y CB 1.831 40.315 38.460 0.040 0.000 1.271 422 Y HN 0.783 nan 8.280 nan 0.000 0.467 423 D N -1.279 119.227 120.400 0.176 0.000 2.479 423 D HA 0.115 4.755 4.640 0.000 0.000 0.216 423 D C -0.375 175.976 176.300 0.086 0.000 1.110 423 D CA 0.235 54.303 54.000 0.113 0.000 0.841 423 D CB 0.709 41.549 40.800 0.066 0.000 1.040 423 D HN 0.435 nan 8.370 nan 0.000 0.505 424 T N 0.906 115.505 114.554 0.075 0.000 3.143 424 T HA 0.354 4.704 4.350 0.000 0.000 0.312 424 T C -1.070 173.642 174.700 0.019 0.000 0.986 424 T CA -0.479 61.639 62.100 0.029 0.000 1.024 424 T CB 1.721 70.581 68.868 -0.015 0.000 1.030 424 T HN -0.062 nan 8.240 nan 0.000 0.448 425 L N 4.559 125.791 121.223 0.014 0.000 2.475 425 L HA 0.407 4.747 4.340 0.000 0.000 0.253 425 L C -0.010 176.887 176.870 0.044 0.000 1.137 425 L CA -0.252 54.594 54.840 0.010 0.000 1.058 425 L CB 0.456 42.500 42.059 -0.024 0.000 1.382 425 L HN 0.484 nan 8.230 nan 0.000 0.416 426 V N 4.622 124.565 119.914 0.049 0.000 2.475 426 V HA -0.106 4.014 4.120 0.000 0.000 0.292 426 V C 0.817 177.052 176.094 0.235 0.000 1.003 426 V CA 0.374 62.729 62.300 0.091 0.000 1.120 426 V CB -0.038 31.802 31.823 0.029 0.000 0.937 426 V HN 0.467 nan 8.190 nan 0.000 0.476 427 L N 4.459 125.809 121.223 0.212 0.000 2.644 427 L HA 0.668 5.008 4.340 0.000 0.000 0.187 427 L C 0.437 177.502 176.870 0.326 0.000 1.767 427 L CA -0.111 54.885 54.840 0.260 0.000 3.065 427 L CB -0.386 41.720 42.059 0.080 0.000 2.923 427 L HN 0.626 nan 8.230 nan 0.000 0.799 428 S N -0.948 114.874 115.700 0.203 0.000 2.481 428 S HA 0.405 4.875 4.470 0.000 0.000 0.262 428 S C -0.843 173.855 174.600 0.163 0.000 1.061 428 S CA -0.531 57.794 58.200 0.209 0.000 1.039 428 S CB 0.423 63.770 63.200 0.245 0.000 1.170 428 S HN 0.213 nan 8.310 nan 0.000 0.437 429 F N 2.198 122.189 119.950 0.067 0.000 2.373 429 F HA 0.378 4.905 4.527 0.000 0.000 0.302 429 F C 0.743 176.582 175.800 0.064 0.000 1.247 429 F CA -0.364 57.670 58.000 0.056 0.000 1.169 429 F CB 0.559 39.589 39.000 0.050 0.000 1.309 429 F HN 0.399 nan 8.300 nan 0.000 0.537 430 V N 3.446 123.357 119.914 -0.005 0.000 2.500 430 V HA 0.098 4.218 4.120 0.000 0.000 0.267 430 V C 0.992 177.202 176.094 0.194 0.000 0.977 430 V CA 1.256 63.603 62.300 0.078 0.000 1.151 430 V CB -1.021 30.837 31.823 0.058 0.000 1.013 430 V HN 1.113 nan 8.190 nan 0.000 0.467 431 G N 3.496 112.387 108.800 0.152 0.000 2.184 431 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 431 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 431 G C 0.091 175.079 174.900 0.148 0.000 0.975 431 G CA 0.579 45.767 45.100 0.146 0.000 0.642 431 G HN 0.661 nan 8.290 nan 0.000 0.536 432 Q N -0.875 119.041 119.800 0.193 0.000 2.552 432 Q HA 0.727 5.067 4.340 0.000 0.000 0.289 432 Q C -0.927 175.183 176.000 0.183 0.000 1.097 432 Q CA -0.627 55.281 55.803 0.174 0.000 0.812 432 Q CB 1.996 30.842 28.738 0.180 0.000 1.460 432 Q HN 0.129 nan 8.270 nan 0.000 0.452 433 T N 0.921 115.561 114.554 0.143 0.000 2.848 433 T HA 0.568 4.918 4.350 0.000 0.000 0.285 433 T C -0.770 174.011 174.700 0.134 0.000 0.995 433 T CA -0.595 61.600 62.100 0.159 0.000 0.970 433 T CB 1.106 70.061 68.868 0.146 0.000 0.976 433 T HN 0.328 nan 8.240 nan 0.000 0.441 434 R N 1.203 121.784 120.500 0.136 0.000 2.950 434 R HA 0.866 5.206 4.340 0.000 0.000 0.253 434 R C -1.332 174.999 176.300 0.053 0.000 1.168 434 R CA -0.924 55.220 56.100 0.074 0.000 1.014 434 R CB 1.852 32.181 30.300 0.047 0.000 1.228 434 R HN 0.346 nan 8.270 nan 0.000 0.487 435 V N 2.066 121.987 119.914 0.013 0.000 2.656 435 V HA 0.412 4.532 4.120 0.000 0.000 0.307 435 V C -0.646 175.445 176.094 -0.005 0.000 1.051 435 V CA -0.764 61.527 62.300 -0.016 0.000 0.893 435 V CB 1.844 33.638 31.823 -0.047 0.000 0.999 435 V HN 0.486 nan 8.190 nan 0.000 0.426 436 L N 4.424 125.644 121.223 -0.005 0.000 2.506 436 L HA 0.464 4.804 4.340 0.000 0.000 0.247 436 L C 0.023 176.896 176.870 0.005 0.000 1.141 436 L CA -0.254 54.590 54.840 0.006 0.000 0.973 436 L CB 0.850 42.917 42.059 0.014 0.000 1.319 436 L HN 0.491 nan 8.230 nan 0.000 0.455 437 M N 3.810 123.410 119.600 0.000 0.000 2.522 437 M HA 0.197 4.677 4.480 0.000 0.000 0.333 437 M C -0.856 175.458 176.300 0.024 0.000 1.632 437 M CA 0.361 55.664 55.300 0.004 0.000 1.293 437 M CB -0.019 32.579 32.600 -0.003 0.000 1.857 437 M HN 0.451 nan 8.290 nan 0.000 0.456 438 L N 5.342 126.589 121.223 0.040 0.000 2.372 438 L HA 0.346 4.686 4.340 0.000 0.000 0.273 438 L C 0.410 177.327 176.870 0.078 0.000 0.989 438 L CA -0.289 54.591 54.840 0.067 0.000 0.841 438 L CB 1.219 43.330 42.059 0.087 0.000 1.225 438 L HN 0.638 nan 8.230 nan 0.000 0.414 439 N N 3.055 121.793 118.700 0.065 0.000 2.567 439 N HA 0.052 4.792 4.740 0.000 0.000 0.195 439 N C 1.184 176.730 175.510 0.061 0.000 1.242 439 N CA 0.577 53.657 53.050 0.050 0.000 0.884 439 N CB 0.127 38.632 38.487 0.029 0.000 1.007 439 N HN 0.876 nan 8.380 nan 0.000 0.450 440 G N -0.431 108.444 108.800 0.125 0.000 2.143 440 G HA2 -0.283 3.677 3.960 0.000 0.000 0.248 440 G HA3 -0.283 3.677 3.960 0.000 0.000 0.248 440 G C 0.622 175.577 174.900 0.091 0.000 0.991 440 G CA 0.480 45.681 45.100 0.167 0.000 0.689 440 G HN 0.354 nan 8.290 nan 0.000 0.522 441 E N -0.877 119.400 120.200 0.128 0.000 3.596 441 E HA 0.195 4.545 4.350 0.000 0.000 0.188 441 E C 0.428 177.110 176.600 0.137 0.000 1.232 441 E CA 0.287 56.743 56.400 0.095 0.000 1.460 441 E CB 0.293 30.007 29.700 0.024 0.000 1.513 441 E HN 0.379 nan 8.360 nan 0.000 0.530 442 E N 0.961 121.218 120.200 0.094 0.000 2.288 442 E HA 0.432 4.782 4.350 0.000 0.000 0.268 442 E C -0.500 176.138 176.600 0.063 0.000 0.885 442 E CA -0.660 55.787 56.400 0.077 0.000 0.767 442 E CB 2.763 32.494 29.700 0.051 0.000 1.220 442 E HN -0.153 nan 8.360 nan 0.000 0.427 443 V N 1.270 121.215 119.914 0.052 0.000 3.170 443 V HA 0.473 4.593 4.120 0.000 0.000 0.309 443 V C 0.251 176.360 176.094 0.025 0.000 1.071 443 V CA -0.434 61.889 62.300 0.038 0.000 1.063 443 V CB 1.323 33.164 31.823 0.030 0.000 1.123 443 V HN 0.664 nan 8.190 nan 0.000 0.464 444 E N -0.476 119.734 120.200 0.016 0.000 2.372 444 E HA 0.412 4.762 4.350 0.000 0.000 0.279 444 E C -1.280 175.319 176.600 -0.001 0.000 0.946 444 E CA -0.532 55.873 56.400 0.008 0.000 0.769 444 E CB 2.180 31.884 29.700 0.007 0.000 1.230 444 E HN 0.734 nan 8.360 nan 0.000 0.442 445 E N 1.356 121.552 120.200 -0.007 0.000 2.830 445 E HA 0.133 4.483 4.350 0.000 0.000 0.225 445 E C -1.010 175.580 176.600 -0.017 0.000 1.109 445 E CA -0.153 56.237 56.400 -0.017 0.000 1.392 445 E CB 0.658 30.342 29.700 -0.026 0.000 1.349 445 E HN 0.357 nan 8.360 nan 0.000 0.433 446 T N -0.830 113.716 114.554 -0.014 0.000 2.727 446 T HA 0.217 4.567 4.350 0.000 0.000 0.298 446 T C 0.188 174.877 174.700 -0.018 0.000 0.942 446 T CA -0.967 61.124 62.100 -0.014 0.000 0.997 446 T CB 0.756 69.618 68.868 -0.011 0.000 0.917 446 T HN 0.077 nan 8.240 nan 0.000 0.487 447 E N 2.917 123.109 120.200 -0.014 0.000 2.349 447 E HA 0.498 4.848 4.350 0.000 0.000 0.262 447 E C -0.643 175.953 176.600 -0.006 0.000 1.088 447 E CA -0.971 55.423 56.400 -0.010 0.000 0.899 447 E CB 1.183 30.883 29.700 -0.000 0.000 1.044 447 E HN 0.422 nan 8.360 nan 0.000 0.420 448 L N 0.981 122.202 121.223 -0.003 0.000 2.304 448 L HA 0.325 4.665 4.340 0.000 0.000 0.268 448 L C -0.086 176.830 176.870 0.077 0.000 1.010 448 L CA -0.932 53.902 54.840 -0.009 0.000 0.813 448 L CB 1.694 43.669 42.059 -0.140 0.000 1.315 448 L HN 0.550 nan 8.230 nan 0.000 0.445 449 M N 1.880 121.533 119.600 0.088 0.000 2.269 449 M HA 0.135 4.615 4.480 0.000 0.000 0.350 449 M C 1.329 177.778 176.300 0.247 0.000 1.429 449 M CA 1.199 56.576 55.300 0.129 0.000 1.063 449 M CB -0.435 32.223 32.600 0.097 0.000 1.841 449 M HN 0.912 nan 8.290 nan 0.000 0.455 450 G N 3.958 112.850 108.800 0.153 0.000 2.353 450 G HA2 -0.311 3.649 3.960 0.000 0.000 0.258 450 G HA3 -0.311 3.649 3.960 0.000 0.000 0.258 450 G C 0.193 175.115 174.900 0.037 0.000 1.013 450 G CA 0.067 45.218 45.100 0.084 0.000 0.622 450 G HN 0.620 nan 8.290 nan 0.000 0.535 451 F N 2.699 122.639 119.950 -0.017 0.000 2.733 451 F HA 0.422 4.949 4.527 -0.000 0.000 0.344 451 F C 1.531 177.321 175.800 -0.017 0.000 1.179 451 F CA -0.392 57.594 58.000 -0.023 0.000 1.316 451 F CB -0.238 38.751 39.000 -0.019 0.000 1.577 451 F HN 0.305 nan 8.300 nan 0.000 0.591 452 V N -0.431 119.529 119.914 0.078 0.000 2.717 452 V HA -0.177 3.943 4.120 0.000 0.000 0.302 452 V C 1.215 177.346 176.094 0.061 0.000 1.097 452 V CA -0.189 62.142 62.300 0.052 0.000 1.262 452 V CB 0.081 31.911 31.823 0.011 0.000 0.846 452 V HN 0.626 nan 8.190 nan 0.000 0.485 453 D N 3.107 123.540 120.400 0.055 0.000 2.400 453 D HA -0.133 4.507 4.640 0.000 0.000 0.242 453 D C 0.643 176.962 176.300 0.032 0.000 1.077 453 D CA 0.929 54.954 54.000 0.041 0.000 0.943 453 D CB -0.134 40.677 40.800 0.017 0.000 0.882 453 D HN 0.967 nan 8.370 nan 0.000 0.529 454 D N -1.477 118.942 120.400 0.032 0.000 2.563 454 D HA 0.044 4.684 4.640 0.000 0.000 0.237 454 D C 0.437 176.755 176.300 0.030 0.000 1.282 454 D CA -0.242 53.778 54.000 0.032 0.000 0.816 454 D CB 0.289 41.102 40.800 0.022 0.000 1.066 454 D HN -0.052 nan 8.370 nan 0.000 0.501 455 Q N -0.044 119.770 119.800 0.024 0.000 3.274 455 Q HA 0.492 4.832 4.340 0.000 0.000 0.303 455 Q C -1.047 174.955 176.000 0.003 0.000 1.005 455 Q CA -0.665 55.136 55.803 -0.003 0.000 0.831 455 Q CB 1.521 30.231 28.738 -0.048 0.000 1.538 455 Q HN 0.201 nan 8.270 nan 0.000 0.481 456 Q N 0.038 119.797 119.800 -0.069 0.000 2.284 456 Q HA 0.421 4.761 4.340 0.000 0.000 0.269 456 Q C -1.525 174.350 176.000 -0.208 0.000 1.026 456 Q CA -0.163 55.612 55.803 -0.047 0.000 0.831 456 Q CB 2.163 30.933 28.738 0.053 0.000 1.322 456 Q HN 0.508 nan 8.270 nan 0.000 0.419 457 T N 4.055 118.565 114.554 -0.072 0.000 2.856 457 T HA 0.313 4.663 4.350 0.000 0.000 0.292 457 T C -0.024 174.746 174.700 0.117 0.000 0.980 457 T CA -0.200 61.785 62.100 -0.191 0.000 1.091 457 T CB 0.412 69.073 68.868 -0.345 0.000 0.936 457 T HN 0.406 nan 8.240 nan 0.000 0.503 458 F N 0.677 120.576 119.950 -0.084 0.000 2.490 458 F HA 0.470 4.997 4.527 0.000 0.000 0.280 458 F C 0.331 176.252 175.800 0.201 0.000 1.030 458 F CA -0.789 57.297 58.000 0.143 0.000 1.367 458 F CB -0.077 38.991 39.000 0.114 0.000 1.131 458 F HN 0.503 nan 8.300 nan 0.000 0.632 459 F N -1.092 118.767 119.950 -0.152 0.000 2.603 459 F HA 0.481 5.008 4.527 0.000 0.000 0.317 459 F C -0.464 174.832 175.800 -0.841 0.000 1.066 459 F CA -1.405 56.345 58.000 -0.417 0.000 0.941 459 F CB 2.073 41.054 39.000 -0.031 0.000 1.291 459 F HN -0.155 nan 8.300 nan 0.000 0.472 460 C N 4.181 122.504 119.300 -1.628 0.000 3.117 460 C HA 0.578 5.038 4.460 0.000 0.000 0.278 460 C C 0.159 174.759 174.990 -0.650 0.000 2.067 460 C CA 0.101 58.553 59.018 -0.942 0.000 1.202 460 C CB -1.357 25.766 27.740 -1.028 0.000 2.170 460 C HN 1.139 nan 8.230 nan 0.000 0.600 461 G N 0.958 109.355 108.800 -0.672 0.000 2.562 461 G HA2 0.277 4.237 3.960 0.000 0.000 0.275 461 G HA3 0.277 4.237 3.960 0.000 0.000 0.275 461 G C -0.066 174.873 174.900 0.065 0.000 1.196 461 G CA -0.456 44.520 45.100 -0.205 0.000 0.908 461 G HN 0.743 nan 8.290 nan 0.000 0.524 462 N N 0.412 119.173 118.700 0.102 0.000 2.670 462 N HA 0.120 4.860 4.740 0.000 0.000 0.296 462 N C 0.400 175.989 175.510 0.130 0.000 1.216 462 N CA -0.407 52.716 53.050 0.120 0.000 1.123 462 N CB 0.320 38.889 38.487 0.137 0.000 1.459 462 N HN 0.392 nan 8.380 nan 0.000 0.509 463 V N 0.271 120.267 119.914 0.136 0.000 2.455 463 V HA 0.527 4.647 4.120 0.000 0.000 0.273 463 V C 0.908 177.073 176.094 0.119 0.000 1.045 463 V CA -1.041 61.345 62.300 0.144 0.000 0.976 463 V CB 0.551 32.467 31.823 0.155 0.000 0.993 463 V HN 0.341 nan 8.190 nan 0.000 0.475 464 A N 3.686 126.555 122.820 0.083 0.000 2.275 464 A HA 0.437 4.757 4.320 0.000 0.000 0.276 464 A C 0.888 178.481 177.584 0.015 0.000 1.232 464 A CA 0.633 52.619 52.037 -0.085 0.000 0.814 464 A CB -0.693 18.071 19.000 -0.394 0.000 1.145 464 A HN 1.825 nan 8.150 nan 0.000 0.508 465 H N -2.304 116.792 119.070 0.043 0.000 2.941 465 H HA -0.125 4.431 4.556 0.000 0.000 0.279 465 H C 0.084 175.441 175.328 0.048 0.000 1.247 465 H CA 0.791 56.866 56.048 0.046 0.000 1.129 465 H CB -2.494 27.297 29.762 0.047 0.000 1.313 465 H HN 0.720 nan 8.280 nan 0.000 0.384 466 Q N -0.897 118.959 119.800 0.092 0.000 2.459 466 Q HA -0.261 4.079 4.340 0.000 0.000 0.322 466 Q C -0.722 175.335 176.000 0.094 0.000 1.427 466 Q CA 1.379 57.230 55.803 0.079 0.000 0.861 466 Q CB -0.705 28.074 28.738 0.068 0.000 1.137 466 Q HN 0.795 nan 8.270 nan 0.000 0.394 467 Q N -0.176 119.686 119.800 0.103 0.000 2.377 467 Q HA 0.626 4.966 4.340 0.000 0.000 0.279 467 Q C -1.189 174.883 176.000 0.120 0.000 1.049 467 Q CA -0.935 54.933 55.803 0.109 0.000 0.825 467 Q CB 1.361 30.162 28.738 0.106 0.000 1.401 467 Q HN 0.143 nan 8.270 nan 0.000 0.404 468 L N 2.440 123.755 121.223 0.153 0.000 2.417 468 L HA 0.341 4.681 4.340 0.000 0.000 0.258 468 L C -0.522 176.483 176.870 0.224 0.000 1.088 468 L CA -0.344 54.622 54.840 0.210 0.000 0.975 468 L CB 0.568 42.786 42.059 0.265 0.000 1.341 468 L HN 0.607 nan 8.230 nan 0.000 0.431 469 I N 1.720 122.355 120.570 0.108 0.000 3.003 469 I HA -0.076 4.094 4.170 0.000 0.000 0.294 469 I C 0.620 176.675 176.117 -0.103 0.000 1.237 469 I CA 1.005 62.312 61.300 0.012 0.000 1.417 469 I CB 0.242 38.275 38.000 0.055 0.000 1.340 469 I HN 0.746 nan 8.210 nan 0.000 0.594 470 Q N 6.791 126.453 119.800 -0.230 0.000 2.855 470 Q HA 0.288 4.628 4.340 0.000 0.000 0.297 470 Q C -1.013 174.803 176.000 -0.306 0.000 0.740 470 Q CA -0.327 55.240 55.803 -0.394 0.000 1.027 470 Q CB 0.136 28.356 28.738 -0.864 0.000 1.482 470 Q HN 0.710 nan 8.270 nan 0.000 0.373 471 I N 1.794 122.249 120.570 -0.192 0.000 3.076 471 I HA -0.105 4.065 4.170 0.000 0.000 0.287 471 I C 0.769 176.710 176.117 -0.292 0.000 1.204 471 I CA 0.991 62.197 61.300 -0.157 0.000 1.370 471 I CB -0.065 37.921 38.000 -0.024 0.000 1.444 471 I HN 0.219 nan 8.210 nan 0.000 0.549 472 T N 3.327 117.673 114.554 -0.347 0.000 2.893 472 T HA 0.261 4.611 4.350 0.000 0.000 0.279 472 T C 1.360 175.646 174.700 -0.689 0.000 0.991 472 T CA -0.019 61.781 62.100 -0.501 0.000 0.950 472 T CB 1.385 70.062 68.868 -0.320 0.000 1.223 472 T HN 0.700 nan 8.240 nan 0.000 0.585 473 S N 1.502 116.795 115.700 -0.678 0.000 2.354 473 S HA -0.081 4.389 4.470 0.000 0.000 0.219 473 S C 2.395 176.898 174.600 -0.161 0.000 1.035 473 S CA 1.310 59.246 58.200 -0.439 0.000 1.037 473 S CB -1.457 61.639 63.200 -0.173 0.000 0.956 473 S HN 0.944 nan 8.310 nan 0.000 0.428 474 A N 2.136 124.892 122.820 -0.107 0.000 1.870 474 A HA 0.123 4.443 4.320 0.000 0.000 0.219 474 A C 1.256 178.853 177.584 0.021 0.000 1.224 474 A CA 2.071 54.094 52.037 -0.024 0.000 0.650 474 A CB -1.034 17.950 19.000 -0.027 0.000 0.836 474 A HN 1.778 nan 8.150 nan 0.000 0.454 475 S N -4.206 111.485 115.700 -0.015 0.000 2.798 475 S HA 0.262 4.732 4.470 0.000 0.000 0.291 475 S C -0.594 174.011 174.600 0.008 0.000 0.894 475 S CA -0.252 57.978 58.200 0.050 0.000 0.838 475 S CB -0.052 63.333 63.200 0.307 0.000 1.047 475 S HN 1.908 nan 8.310 nan 0.000 0.482 476 V N 3.129 123.018 119.914 -0.041 0.000 2.814 476 V HA 0.088 4.208 4.120 0.000 0.000 0.298 476 V C 0.342 176.421 176.094 -0.024 0.000 1.195 476 V CA 1.078 63.340 62.300 -0.063 0.000 1.323 476 V CB -0.554 31.223 31.823 -0.077 0.000 0.842 476 V HN 0.950 nan 8.190 nan 0.000 0.494 477 R N 4.418 124.853 120.500 -0.108 0.000 2.875 477 R HA 0.875 5.215 4.340 0.000 0.000 0.251 477 R C -1.269 174.955 176.300 -0.127 0.000 1.123 477 R CA -1.082 54.947 56.100 -0.119 0.000 1.064 477 R CB 1.478 31.661 30.300 -0.196 0.000 1.205 477 R HN 0.650 nan 8.270 nan 0.000 0.503 478 L N 0.698 121.860 121.223 -0.101 0.000 2.476 478 L HA 0.409 4.749 4.340 0.000 0.000 0.269 478 L C -1.655 175.198 176.870 -0.028 0.000 0.965 478 L CA -0.445 54.360 54.840 -0.058 0.000 0.845 478 L CB 2.317 44.371 42.059 -0.007 0.000 1.259 478 L HN 0.300 nan 8.230 nan 0.000 0.403 479 V N 3.166 123.089 119.914 0.015 0.000 2.483 479 V HA 0.528 4.648 4.120 0.000 0.000 0.297 479 V C 0.222 176.398 176.094 0.136 0.000 1.027 479 V CA -0.601 61.771 62.300 0.121 0.000 0.855 479 V CB 1.715 33.739 31.823 0.334 0.000 0.995 479 V HN 0.791 nan 8.190 nan 0.000 0.424 480 S N 2.773 118.534 115.700 0.101 0.000 2.592 480 S HA 0.184 4.654 4.470 0.000 0.000 0.271 480 S C 1.018 175.671 174.600 0.089 0.000 1.326 480 S CA -0.260 57.992 58.200 0.087 0.000 1.024 480 S CB 1.237 64.477 63.200 0.066 0.000 0.921 480 S HN 0.787 nan 8.310 nan 0.000 0.527 481 Q N 1.575 121.423 119.800 0.080 0.000 1.921 481 Q HA -0.128 4.212 4.340 0.000 0.000 0.208 481 Q C 1.900 177.929 176.000 0.049 0.000 0.994 481 Q CA 1.636 57.477 55.803 0.065 0.000 0.857 481 Q CB -0.462 28.311 28.738 0.058 0.000 0.925 481 Q HN 0.765 nan 8.270 nan 0.000 0.421 482 E N -0.396 119.830 120.200 0.044 0.000 2.008 482 E HA -0.090 4.260 4.350 0.000 0.000 0.191 482 E C -0.445 176.176 176.600 0.035 0.000 0.986 482 E CA 0.787 57.208 56.400 0.034 0.000 0.807 482 E CB -0.997 28.721 29.700 0.030 0.000 0.766 482 E HN 0.191 nan 8.360 nan 0.000 0.450 483 P HA -0.149 nan 4.420 nan 0.000 0.216 483 P C 0.496 177.821 177.300 0.041 0.000 1.150 483 P CA 1.824 64.946 63.100 0.036 0.000 0.843 483 P CB 0.050 31.773 31.700 0.038 0.000 0.787 484 K N -3.424 117.008 120.400 0.053 0.000 3.495 484 K HA -0.201 4.119 4.320 0.000 0.000 0.315 484 K C 0.216 176.857 176.600 0.069 0.000 1.301 484 K CA 0.992 57.318 56.287 0.065 0.000 0.985 484 K CB -2.242 30.286 32.500 0.046 0.000 1.244 484 K HN 0.298 nan 8.250 nan 0.000 0.433 485 A N 0.229 123.081 122.820 0.053 0.000 2.322 485 A HA 0.505 4.825 4.320 0.000 0.000 0.269 485 A C -0.254 177.356 177.584 0.045 0.000 1.094 485 A CA -0.283 51.780 52.037 0.044 0.000 0.807 485 A CB 0.533 19.552 19.000 0.031 0.000 1.047 485 A HN 0.309 nan 8.150 nan 0.000 0.487 486 L N 3.932 125.175 121.223 0.034 0.000 2.678 486 L HA 0.137 4.477 4.340 0.000 0.000 0.276 486 L C 0.886 177.764 176.870 0.013 0.000 1.142 486 L CA 0.585 55.436 54.840 0.018 0.000 0.961 486 L CB -0.787 41.275 42.059 0.006 0.000 1.291 486 L HN 0.537 nan 8.230 nan 0.000 0.476 487 V N 3.437 123.360 119.914 0.015 0.000 2.296 487 V HA 0.052 4.172 4.120 0.000 0.000 0.200 487 V C 1.228 177.326 176.094 0.007 0.000 1.006 487 V CA 1.116 63.426 62.300 0.016 0.000 1.108 487 V CB -0.832 31.006 31.823 0.026 0.000 0.695 487 V HN 0.920 nan 8.190 nan 0.000 0.468 488 S N -1.117 114.589 115.700 0.010 0.000 2.767 488 S HA 0.719 5.189 4.470 0.000 0.000 0.300 488 S C -0.663 173.943 174.600 0.011 0.000 1.123 488 S CA -0.602 57.602 58.200 0.008 0.000 0.992 488 S CB 2.540 65.750 63.200 0.018 0.000 1.138 488 S HN 0.574 nan 8.310 nan 0.000 0.550 489 E N -1.507 118.705 120.200 0.019 0.000 2.447 489 E HA 0.413 4.763 4.350 0.000 0.000 0.279 489 E C -2.150 174.507 176.600 0.095 0.000 1.053 489 E CA -0.638 55.788 56.400 0.043 0.000 0.840 489 E CB 1.674 31.375 29.700 0.002 0.000 1.409 489 E HN 0.672 nan 8.360 nan 0.000 0.461 490 W N 0.864 122.122 121.300 -0.070 0.000 2.820 490 W HA 0.634 5.294 4.660 0.000 0.000 0.350 490 W C -1.131 175.346 176.519 -0.069 0.000 1.116 490 W CA -0.157 57.145 57.345 -0.072 0.000 1.146 490 W CB 1.774 31.191 29.460 -0.071 0.000 1.433 490 W HN 0.238 nan 8.180 nan 0.000 0.561 491 K N 1.777 122.026 120.400 -0.251 0.000 2.583 491 K HA 0.126 4.446 4.320 0.000 0.000 0.260 491 K C -1.310 175.032 176.600 -0.431 0.000 0.931 491 K CA -0.605 55.596 56.287 -0.144 0.000 0.849 491 K CB 1.567 33.958 32.500 -0.181 0.000 1.347 491 K HN 0.231 nan 8.250 nan 0.000 0.425 492 E N 3.984 124.185 120.200 0.001 0.000 2.257 492 E HA 0.112 4.462 4.350 0.000 0.000 0.278 492 E C -1.790 174.756 176.600 -0.090 0.000 1.049 492 E CA -1.824 54.616 56.400 0.067 0.000 0.876 492 E CB 0.994 30.864 29.700 0.284 0.000 1.035 492 E HN 0.304 nan 8.360 nan 0.000 0.419 493 P HA -0.255 nan 4.420 nan 0.000 0.221 493 P C 0.877 178.141 177.300 -0.059 0.000 1.153 493 P CA 1.465 64.483 63.100 -0.136 0.000 0.858 493 P CB 0.465 32.108 31.700 -0.096 0.000 0.783 494 Q N -2.013 117.783 119.800 -0.007 0.000 1.922 494 Q HA 0.321 4.661 4.340 0.000 0.000 0.224 494 Q C 1.279 177.280 176.000 0.002 0.000 0.973 494 Q CA 1.554 57.362 55.803 0.007 0.000 0.858 494 Q CB -0.546 28.213 28.738 0.035 0.000 0.910 494 Q HN 0.173 nan 8.270 nan 0.000 0.456 495 A N -0.273 122.561 122.820 0.022 0.000 2.701 495 A HA 0.243 4.563 4.320 0.000 0.000 0.197 495 A C -0.442 177.168 177.584 0.043 0.000 1.464 495 A CA -0.269 51.780 52.037 0.021 0.000 1.393 495 A CB 0.145 19.153 19.000 0.013 0.000 1.108 495 A HN 0.084 nan 8.150 nan 0.000 0.570 496 K N 1.008 121.451 120.400 0.071 0.000 2.258 496 K HA 0.643 4.963 4.320 0.000 0.000 0.236 496 K C -0.684 175.995 176.600 0.132 0.000 1.008 496 K CA -0.940 55.404 56.287 0.094 0.000 0.869 496 K CB 1.434 33.997 32.500 0.104 0.000 1.171 496 K HN 0.556 nan 8.250 nan 0.000 0.447 497 N N 0.537 119.311 118.700 0.124 0.000 2.357 497 N HA 0.345 5.085 4.740 0.000 0.000 0.284 497 N C -0.549 175.039 175.510 0.131 0.000 1.236 497 N CA -0.724 52.403 53.050 0.128 0.000 0.774 497 N CB 1.050 39.591 38.487 0.090 0.000 1.534 497 N HN 0.382 nan 8.380 nan 0.000 0.478 498 I N 1.216 121.857 120.570 0.119 0.000 2.710 498 I HA -0.088 4.082 4.170 0.000 0.000 0.286 498 I C 1.287 177.578 176.117 0.290 0.000 1.181 498 I CA 0.135 61.525 61.300 0.150 0.000 1.430 498 I CB 0.521 38.590 38.000 0.115 0.000 1.367 498 I HN 0.713 nan 8.210 nan 0.000 0.577 499 S N 4.126 119.959 115.700 0.221 0.000 2.539 499 S HA 0.210 4.680 4.470 0.000 0.000 0.226 499 S C 0.296 174.917 174.600 0.034 0.000 1.054 499 S CA -0.250 58.056 58.200 0.176 0.000 0.910 499 S CB 0.589 63.815 63.200 0.044 0.000 0.818 499 S HN 0.392 nan 8.310 nan 0.000 0.490 500 V N 2.228 122.169 119.914 0.046 0.000 2.509 500 V HA 0.743 4.863 4.120 0.000 0.000 0.289 500 V C 0.281 176.405 176.094 0.050 0.000 1.026 500 V CA -0.869 61.405 62.300 -0.044 0.000 0.872 500 V CB 0.838 32.643 31.823 -0.030 0.000 1.017 500 V HN 0.571 nan 8.190 nan 0.000 0.436 501 A N 3.454 126.337 122.820 0.104 0.000 2.281 501 A HA 0.852 5.172 4.320 0.000 0.000 0.271 501 A C 0.403 178.024 177.584 0.062 0.000 1.196 501 A CA 0.340 52.476 52.037 0.165 0.000 0.807 501 A CB 0.838 20.037 19.000 0.332 0.000 1.138 501 A HN 1.508 nan 8.150 nan 0.000 0.506 502 S N -2.596 113.092 115.700 -0.020 0.000 2.740 502 S HA 0.385 4.855 4.470 0.000 0.000 0.320 502 S C -0.998 173.407 174.600 -0.325 0.000 0.781 502 S CA 0.043 58.172 58.200 -0.119 0.000 0.746 502 S CB -0.159 63.009 63.200 -0.053 0.000 0.982 502 S HN 2.321 nan 8.310 nan 0.000 0.525 503 C N 4.536 123.480 119.300 -0.594 0.000 3.266 503 C HA 0.850 5.310 4.460 0.000 0.000 0.369 503 C C 0.392 174.995 174.990 -0.644 0.000 1.580 503 C CA 0.294 58.823 59.018 -0.814 0.000 1.165 503 C CB 0.583 27.533 27.740 -1.316 0.000 1.835 503 C HN 1.209 nan 8.230 nan 0.000 0.433 504 N N -0.074 118.392 118.700 -0.390 0.000 3.296 504 N HA 0.292 5.032 4.740 0.000 0.000 0.266 504 N C 0.345 175.981 175.510 0.211 0.000 0.984 504 N CA 0.669 53.725 53.050 0.010 0.000 1.228 504 N CB 0.634 39.124 38.487 0.005 0.000 1.239 504 N HN 0.599 nan 8.380 nan 0.000 1.043 505 S N -1.672 114.100 115.700 0.120 0.000 2.822 505 S HA 0.232 4.702 4.470 0.000 0.000 0.251 505 S C -0.421 174.249 174.600 0.116 0.000 0.946 505 S CA 0.218 58.515 58.200 0.162 0.000 1.377 505 S CB -0.199 63.086 63.200 0.142 0.000 1.230 505 S HN 0.604 nan 8.310 nan 0.000 0.671 506 S N 0.005 115.741 115.700 0.061 0.000 2.927 506 S HA 0.407 4.877 4.470 0.000 0.000 0.246 506 S C -0.257 174.358 174.600 0.024 0.000 0.907 506 S CA -0.522 57.699 58.200 0.034 0.000 1.326 506 S CB 0.099 63.306 63.200 0.011 0.000 1.216 506 S HN 0.358 nan 8.310 nan 0.000 0.652 507 Q N 0.467 120.264 119.800 -0.005 0.000 2.399 507 Q HA 0.741 5.081 4.340 0.000 0.000 0.276 507 Q C -1.373 174.608 176.000 -0.031 0.000 1.098 507 Q CA -1.092 54.709 55.803 -0.003 0.000 0.827 507 Q CB 2.720 31.352 28.738 -0.176 0.000 1.386 507 Q HN 0.186 nan 8.270 nan 0.000 0.443 508 V N 1.916 121.858 119.914 0.045 0.000 2.383 508 V HA 0.175 4.295 4.120 0.000 0.000 0.264 508 V C -0.737 175.375 176.094 0.030 0.000 1.001 508 V CA -0.468 61.824 62.300 -0.014 0.000 0.828 508 V CB 1.365 33.168 31.823 -0.034 0.000 1.069 508 V HN 0.536 nan 8.190 nan 0.000 0.451 509 V N 5.166 125.045 119.914 -0.057 0.000 2.154 509 V HA 0.277 4.397 4.120 0.000 0.000 0.265 509 V C 0.488 176.582 176.094 -0.001 0.000 1.293 509 V CA -0.155 62.129 62.300 -0.026 0.000 1.205 509 V CB 0.710 32.435 31.823 -0.163 0.000 1.306 509 V HN 0.624 nan 8.190 nan 0.000 0.479 510 V N 0.647 120.575 119.914 0.024 0.000 3.420 510 V HA 1.066 5.186 4.120 0.000 0.000 0.295 510 V C 0.119 176.197 176.094 -0.027 0.000 1.201 510 V CA -0.632 61.670 62.300 0.003 0.000 0.995 510 V CB 1.884 33.709 31.823 0.003 0.000 1.244 510 V HN 0.646 nan 8.190 nan 0.000 0.466 511 A N -0.408 122.395 122.820 -0.029 0.000 2.488 511 A HA 0.771 5.091 4.320 0.000 0.000 0.298 511 A C -1.191 176.374 177.584 -0.030 0.000 1.044 511 A CA -0.460 51.529 52.037 -0.080 0.000 0.693 511 A CB 1.883 20.829 19.000 -0.091 0.000 1.272 511 A HN 1.294 nan 8.150 nan 0.000 0.402 512 V N 3.276 123.157 119.914 -0.055 0.000 2.304 512 V HA 0.587 4.707 4.120 0.000 0.000 0.278 512 V C 1.251 177.327 176.094 -0.031 0.000 1.018 512 V CA 0.666 62.973 62.300 0.012 0.000 0.814 512 V CB 0.040 31.931 31.823 0.113 0.000 1.021 512 V HN 2.153 nan 8.190 nan 0.000 0.440 513 G N 5.637 114.408 108.800 -0.048 0.000 2.672 513 G HA2 -0.357 3.603 3.960 0.000 0.000 0.332 513 G HA3 -0.357 3.603 3.960 0.000 0.000 0.332 513 G C 1.079 175.913 174.900 -0.111 0.000 1.213 513 G CA 1.092 46.130 45.100 -0.104 0.000 0.980 513 G HN 0.586 nan 8.290 nan 0.000 0.548 514 R N 1.419 121.860 120.500 -0.098 0.000 2.280 514 R HA 0.462 4.802 4.340 0.000 0.000 0.195 514 R C 1.558 177.777 176.300 -0.135 0.000 0.935 514 R CA 0.606 56.645 56.100 -0.101 0.000 1.033 514 R CB -0.028 30.225 30.300 -0.078 0.000 0.964 514 R HN 0.685 nan 8.270 nan 0.000 0.489 515 A N 1.325 124.061 122.820 -0.140 0.000 2.407 515 A HA 0.422 4.742 4.320 0.000 0.000 0.248 515 A C -0.372 176.999 177.584 -0.356 0.000 1.082 515 A CA -0.008 51.894 52.037 -0.226 0.000 0.785 515 A CB 0.354 19.196 19.000 -0.262 0.000 1.020 515 A HN 0.194 nan 8.150 nan 0.000 0.489 516 L N 2.123 123.099 121.223 -0.411 0.000 2.446 516 L HA 0.402 4.742 4.340 0.000 0.000 0.268 516 L C -0.728 176.081 176.870 -0.102 0.000 0.975 516 L CA -0.250 54.357 54.840 -0.389 0.000 0.848 516 L CB 0.987 42.596 42.059 -0.750 0.000 1.225 516 L HN 0.906 nan 8.230 nan 0.000 0.410 517 Y N 1.632 122.044 120.300 0.187 0.000 3.037 517 Y HA 0.451 5.001 4.550 0.000 0.000 0.429 517 Y C -0.345 175.757 175.900 0.337 0.000 1.246 517 Y CA -0.392 57.839 58.100 0.219 0.000 1.543 517 Y CB 0.686 39.129 38.460 -0.028 0.000 1.485 517 Y HN 0.417 nan 8.280 nan 0.000 0.825 518 Y N 0.328 120.764 120.300 0.227 0.000 1.999 518 Y HA 0.243 4.793 4.550 0.000 0.000 0.310 518 Y C -2.662 173.250 175.900 0.021 0.000 1.247 518 Y CA -0.829 57.328 58.100 0.094 0.000 1.671 518 Y CB -0.396 38.124 38.460 0.100 0.000 1.278 518 Y HN 0.346 nan 8.280 nan 0.000 0.375 519 L N 6.977 128.315 121.223 0.191 0.000 2.353 519 L HA 0.414 4.754 4.340 0.000 0.000 0.270 519 L C -0.270 176.620 176.870 0.033 0.000 1.003 519 L CA -0.501 54.316 54.840 -0.038 0.000 0.862 519 L CB 1.828 43.776 42.059 -0.185 0.000 1.221 519 L HN 0.577 nan 8.230 nan 0.000 0.430 520 Q N 3.830 123.600 119.800 -0.050 0.000 2.296 520 Q HA 0.314 4.654 4.340 0.000 0.000 0.263 520 Q C -0.260 175.770 176.000 0.049 0.000 1.026 520 Q CA -0.125 55.708 55.803 0.049 0.000 0.912 520 Q CB 1.239 29.997 28.738 0.034 0.000 1.198 520 Q HN 0.522 nan 8.270 nan 0.000 0.407 521 I N 4.917 125.506 120.570 0.032 0.000 2.206 521 I HA 0.063 4.233 4.170 0.000 0.000 0.292 521 I C 0.944 177.029 176.117 -0.053 0.000 1.156 521 I CA -0.044 61.267 61.300 0.018 0.000 1.356 521 I CB -0.715 37.301 38.000 0.027 0.000 1.494 521 I HN 0.625 nan 8.210 nan 0.000 0.601 522 H N 6.666 125.671 119.070 -0.108 0.000 1.924 522 H HA 0.133 4.690 4.556 0.000 0.000 0.287 522 H C -1.715 173.460 175.328 -0.254 0.000 1.786 522 H CA -0.643 55.255 56.048 -0.250 0.000 1.408 522 H CB -0.129 29.527 29.762 -0.175 0.000 1.741 522 H HN 0.126 nan 8.280 nan 0.000 0.601 523 P HA -0.055 nan 4.420 nan 0.000 0.231 523 P C -0.693 176.633 177.300 0.043 0.000 1.210 523 P CA 0.912 64.028 63.100 0.026 0.000 1.332 523 P CB -0.764 30.972 31.700 0.060 0.000 1.594 524 Q N -0.004 119.825 119.800 0.048 0.000 2.454 524 Q HA -0.249 4.091 4.340 0.000 0.000 0.341 524 Q C 0.357 176.377 176.000 0.035 0.000 1.437 524 Q CA 0.897 56.728 55.803 0.046 0.000 0.935 524 Q CB -0.767 28.002 28.738 0.053 0.000 1.164 524 Q HN 0.523 nan 8.270 nan 0.000 0.373 525 E N -0.937 119.285 120.200 0.036 0.000 2.587 525 E HA 0.822 5.172 4.350 0.000 0.000 0.115 525 E C -1.093 175.536 176.600 0.048 0.000 1.219 525 E CA -0.811 55.609 56.400 0.034 0.000 0.816 525 E CB 0.856 30.568 29.700 0.021 0.000 2.119 525 E HN 0.063 nan 8.360 nan 0.000 0.503 526 L N -0.304 120.950 121.223 0.052 0.000 2.588 526 L HA 0.556 4.896 4.340 0.000 0.000 0.263 526 L C -1.412 175.484 176.870 0.043 0.000 0.935 526 L CA -0.182 54.702 54.840 0.074 0.000 0.891 526 L CB 2.288 44.443 42.059 0.161 0.000 1.318 526 L HN 0.484 nan 8.230 nan 0.000 0.409 527 R N 2.576 123.079 120.500 0.006 0.000 2.721 527 R HA 0.317 4.657 4.340 0.000 0.000 0.272 527 R C -0.815 175.376 176.300 -0.183 0.000 1.721 527 R CA -0.410 55.657 56.100 -0.055 0.000 1.325 527 R CB 1.120 31.404 30.300 -0.026 0.000 1.271 527 R HN 0.706 nan 8.270 nan 0.000 0.556 528 Q N 3.068 122.785 119.800 -0.138 0.000 2.454 528 Q HA 0.085 4.425 4.340 0.000 0.000 0.247 528 Q C 0.110 175.963 176.000 -0.244 0.000 1.028 528 Q CA 0.266 55.953 55.803 -0.193 0.000 0.910 528 Q CB 0.718 29.427 28.738 -0.048 0.000 1.276 528 Q HN 0.574 nan 8.270 nan 0.000 0.489 529 I N -0.235 120.183 120.570 -0.253 0.000 3.493 529 I HA 0.074 4.244 4.170 0.000 0.000 0.262 529 I C 0.576 176.701 176.117 0.015 0.000 1.085 529 I CA 0.250 61.459 61.300 -0.151 0.000 1.692 529 I CB -0.665 37.191 38.000 -0.240 0.000 1.712 529 I HN 0.624 nan 8.210 nan 0.000 0.412 530 S N 0.531 116.289 115.700 0.096 0.000 2.664 530 S HA 0.665 5.135 4.470 0.000 0.000 0.304 530 S C -1.020 173.765 174.600 0.307 0.000 1.099 530 S CA -0.058 58.206 58.200 0.108 0.000 1.003 530 S CB 2.244 65.399 63.200 -0.075 0.000 1.092 530 S HN 0.467 nan 8.310 nan 0.000 0.525 531 H N -0.155 119.032 119.070 0.195 0.000 3.129 531 H HA 0.558 5.114 4.556 0.000 0.000 0.342 531 H C -1.008 174.480 175.328 0.267 0.000 1.092 531 H CA -0.074 56.165 56.048 0.318 0.000 1.310 531 H CB 1.364 31.336 29.762 0.350 0.000 1.932 531 H HN 0.790 nan 8.280 nan 0.000 0.507 532 T N 2.701 117.211 114.554 -0.073 0.000 2.626 532 T HA 0.515 4.865 4.350 0.000 0.000 0.279 532 T C -1.052 173.424 174.700 -0.374 0.000 0.983 532 T CA -0.897 61.050 62.100 -0.254 0.000 1.059 532 T CB 1.920 70.835 68.868 0.079 0.000 1.396 532 T HN 0.562 nan 8.240 nan 0.000 0.519 533 E N 0.167 120.227 120.200 -0.233 0.000 2.343 533 E HA 0.471 4.821 4.350 0.000 0.000 0.278 533 E C -1.265 175.250 176.600 -0.142 0.000 0.910 533 E CA -0.710 55.586 56.400 -0.173 0.000 0.757 533 E CB 1.182 30.807 29.700 -0.125 0.000 1.218 533 E HN 0.301 nan 8.360 nan 0.000 0.435 534 M N 2.597 122.116 119.600 -0.134 0.000 2.314 534 M HA 0.164 4.644 4.480 0.000 0.000 0.342 534 M C 1.110 177.339 176.300 -0.117 0.000 1.171 534 M CA 0.042 55.276 55.300 -0.111 0.000 1.098 534 M CB 0.761 33.309 32.600 -0.087 0.000 1.559 534 M HN 0.655 nan 8.290 nan 0.000 0.459 535 E N 0.855 120.964 120.200 -0.151 0.000 2.204 535 E HA -0.113 4.237 4.350 0.000 0.000 0.194 535 E C -0.053 176.267 176.600 -0.467 0.000 0.989 535 E CA 1.219 57.439 56.400 -0.300 0.000 0.824 535 E CB 0.123 29.618 29.700 -0.341 0.000 0.756 535 E HN 0.551 nan 8.360 nan 0.000 0.477 536 H N -0.019 119.047 119.070 -0.007 0.000 2.869 536 H HA 0.288 4.844 4.556 0.000 0.000 0.342 536 H C -0.922 174.405 175.328 -0.000 0.000 1.250 536 H CA -1.122 54.938 56.048 0.020 0.000 1.217 536 H CB 1.197 31.000 29.762 0.067 0.000 1.917 536 H HN 0.052 nan 8.280 nan 0.000 0.586 537 E N 1.192 121.493 120.200 0.168 0.000 2.290 537 E HA 0.229 4.579 4.350 0.000 0.000 0.277 537 E C -0.770 175.861 176.600 0.052 0.000 1.035 537 E CA -0.417 55.947 56.400 -0.061 0.000 0.873 537 E CB 0.511 29.958 29.700 -0.421 0.000 1.029 537 E HN 0.204 nan 8.360 nan 0.000 0.419 538 V N 4.898 124.806 119.914 -0.009 0.000 2.521 538 V HA 0.154 4.274 4.120 0.000 0.000 0.286 538 V C 1.015 177.233 176.094 0.207 0.000 1.034 538 V CA 0.706 63.055 62.300 0.081 0.000 1.045 538 V CB 0.663 32.473 31.823 -0.021 0.000 0.974 538 V HN 0.928 nan 8.190 nan 0.000 0.480 539 A N 4.169 127.205 122.820 0.361 0.000 1.973 539 A HA 0.335 4.655 4.320 0.000 0.000 0.210 539 A C 0.928 178.611 177.584 0.164 0.000 1.200 539 A CA 0.977 53.251 52.037 0.395 0.000 0.707 539 A CB 0.104 19.243 19.000 0.232 0.000 0.862 539 A HN 1.088 nan 8.150 nan 0.000 0.461 540 C N -3.052 116.305 119.300 0.094 0.000 3.312 540 C HA 0.794 5.254 4.460 0.000 0.000 0.332 540 C C -1.268 173.741 174.990 0.031 0.000 1.340 540 C CA -1.317 57.732 59.018 0.052 0.000 1.265 540 C CB 0.438 28.210 27.740 0.053 0.000 1.563 540 C HN 0.319 nan 8.230 nan 0.000 0.471 541 L N 1.086 122.326 121.223 0.028 0.000 2.434 541 L HA 0.729 5.069 4.340 0.000 0.000 0.260 541 L C -1.496 175.392 176.870 0.029 0.000 0.983 541 L CA 0.011 54.860 54.840 0.014 0.000 0.820 541 L CB 2.127 44.183 42.059 -0.006 0.000 1.361 541 L HN 0.853 nan 8.230 nan 0.000 0.410 542 D N 2.279 122.693 120.400 0.024 0.000 2.896 542 D HA 0.731 5.371 4.640 0.000 0.000 0.241 542 D C -1.526 174.782 176.300 0.012 0.000 1.188 542 D CA -0.149 53.869 54.000 0.030 0.000 0.879 542 D CB 2.138 42.968 40.800 0.049 0.000 1.553 542 D HN 0.340 nan 8.370 nan 0.000 0.515 543 I N -0.190 120.377 120.570 -0.006 0.000 2.775 543 I HA 0.804 4.974 4.170 0.000 0.000 0.295 543 I C -1.119 174.982 176.117 -0.026 0.000 1.287 543 I CA -0.488 60.797 61.300 -0.025 0.000 1.029 543 I CB 2.163 40.126 38.000 -0.061 0.000 1.282 543 I HN 0.252 nan 8.210 nan 0.000 0.426 544 T N 2.092 116.640 114.554 -0.010 0.000 2.977 544 T HA 0.460 4.810 4.350 0.000 0.000 0.345 544 T C -3.137 171.571 174.700 0.014 0.000 1.562 544 T CA -1.278 60.828 62.100 0.010 0.000 1.090 544 T CB 1.397 70.299 68.868 0.058 0.000 1.383 544 T HN 0.469 nan 8.240 nan 0.000 0.484 545 P HA 0.132 nan 4.420 nan 0.000 0.243 545 P C -1.053 176.267 177.300 0.033 0.000 1.107 545 P CA 0.524 63.639 63.100 0.026 0.000 0.848 545 P CB -0.274 31.453 31.700 0.044 0.000 0.771 546 L N 3.270 124.499 121.223 0.009 0.000 2.485 546 L HA 0.567 4.908 4.340 0.000 0.000 0.260 546 L C 0.992 177.841 176.870 -0.034 0.000 0.998 546 L CA 0.039 54.875 54.840 -0.006 0.000 0.883 546 L CB 1.498 43.536 42.059 -0.034 0.000 1.196 546 L HN 0.613 nan 8.230 nan 0.000 0.443 547 G N 1.947 110.742 108.800 -0.010 0.000 1.801 547 G HA2 -0.161 3.799 3.960 0.000 0.000 0.203 547 G HA3 -0.161 3.799 3.960 0.000 0.000 0.203 547 G C -0.226 174.681 174.900 0.012 0.000 2.274 547 G CA 0.260 45.353 45.100 -0.011 0.000 1.481 547 G HN 0.602 nan 8.290 nan 0.000 0.471 548 D N 0.525 120.931 120.400 0.011 0.000 2.881 548 D HA 0.290 4.930 4.640 0.000 0.000 0.325 548 D C 0.462 176.774 176.300 0.020 0.000 1.621 548 D CA 0.973 54.985 54.000 0.020 0.000 0.785 548 D CB -0.137 40.675 40.800 0.019 0.000 1.233 548 D HN 0.975 nan 8.370 nan 0.000 0.447 549 S N -0.382 115.328 115.700 0.016 0.000 2.617 549 S HA 0.547 5.017 4.470 0.000 0.000 0.283 549 S C 0.279 174.894 174.600 0.026 0.000 1.189 549 S CA -0.347 57.863 58.200 0.017 0.000 1.036 549 S CB 2.232 65.435 63.200 0.004 0.000 1.014 549 S HN -0.009 nan 8.310 nan 0.000 0.522 550 N N 1.341 120.059 118.700 0.030 0.000 2.820 550 N HA 0.272 5.013 4.740 0.000 0.000 0.236 550 N C 1.755 177.285 175.510 0.033 0.000 1.023 550 N CA 0.961 54.034 53.050 0.038 0.000 1.062 550 N CB -0.950 37.564 38.487 0.045 0.000 1.582 550 N HN 0.679 nan 8.380 nan 0.000 0.485 551 G N 1.339 110.159 108.800 0.034 0.000 2.572 551 G HA2 0.165 4.125 3.960 0.000 0.000 0.214 551 G HA3 0.165 4.125 3.960 0.000 0.000 0.214 551 G C 0.002 174.905 174.900 0.006 0.000 1.246 551 G CA 0.197 45.315 45.100 0.030 0.000 0.835 551 G HN 0.070 nan 8.290 nan 0.000 0.551 552 L N 1.748 122.982 121.223 0.019 0.000 2.380 552 L HA 0.412 4.752 4.340 0.000 0.000 0.273 552 L C 0.248 177.087 176.870 -0.052 0.000 1.138 552 L CA 0.131 54.958 54.840 -0.021 0.000 0.832 552 L CB 1.727 43.814 42.059 0.046 0.000 1.124 552 L HN -0.003 nan 8.230 nan 0.000 0.454 553 S N 3.316 118.950 115.700 -0.110 0.000 2.608 553 S HA 0.517 4.987 4.470 0.000 0.000 0.291 553 S C -1.816 172.738 174.600 -0.077 0.000 1.146 553 S CA -0.950 57.201 58.200 -0.082 0.000 1.043 553 S CB 1.844 64.989 63.200 -0.091 0.000 1.037 553 S HN 0.431 nan 8.310 nan 0.000 0.520 554 P HA 0.133 nan 4.420 nan 0.000 0.204 554 P C 0.265 177.540 177.300 -0.042 0.000 1.215 554 P CA 0.317 63.390 63.100 -0.045 0.000 0.908 554 P CB 0.118 31.794 31.700 -0.040 0.000 0.738 555 L N -1.674 119.528 121.223 -0.035 0.000 2.543 555 L HA 0.313 4.653 4.340 0.000 0.000 0.231 555 L C 0.125 176.996 176.870 0.002 0.000 1.194 555 L CA -0.506 54.322 54.840 -0.019 0.000 0.823 555 L CB 0.548 42.590 42.059 -0.028 0.000 1.374 555 L HN 0.106 nan 8.230 nan 0.000 0.507 556 C N 1.182 120.495 119.300 0.022 0.000 2.727 556 C HA 0.709 5.169 4.460 0.000 0.000 0.369 556 C C -0.188 174.819 174.990 0.029 0.000 1.067 556 C CA -0.754 58.292 59.018 0.048 0.000 1.273 556 C CB 0.085 27.902 27.740 0.129 0.000 1.778 556 C HN 0.744 nan 8.230 nan 0.000 0.467 557 A N 5.402 128.233 122.820 0.018 0.000 2.290 557 A HA 0.833 5.153 4.320 0.000 0.000 0.310 557 A C -0.876 176.710 177.584 0.003 0.000 1.202 557 A CA -0.334 51.709 52.037 0.008 0.000 0.837 557 A CB 0.638 19.650 19.000 0.020 0.000 1.139 557 A HN 1.028 nan 8.150 nan 0.000 0.509 558 I N 1.691 122.257 120.570 -0.007 0.000 2.569 558 I HA 0.657 4.827 4.170 0.000 0.000 0.290 558 I C 0.094 176.209 176.117 -0.003 0.000 1.088 558 I CA 0.037 61.329 61.300 -0.013 0.000 1.047 558 I CB 2.183 40.160 38.000 -0.037 0.000 1.237 558 I HN 0.666 nan 8.210 nan 0.000 0.421 559 G N 7.694 116.504 108.800 0.016 0.000 2.574 559 G HA2 0.628 4.588 3.960 0.000 0.000 0.306 559 G HA3 0.628 4.588 3.960 0.000 0.000 0.306 559 G C -1.201 173.737 174.900 0.063 0.000 1.334 559 G CA -0.400 44.714 45.100 0.023 0.000 0.954 559 G HN 0.582 nan 8.290 nan 0.000 0.500 560 L N 0.808 122.067 121.223 0.060 0.000 2.347 560 L HA 0.558 4.898 4.340 0.000 0.000 0.268 560 L C 0.337 177.282 176.870 0.124 0.000 1.019 560 L CA -1.026 53.898 54.840 0.139 0.000 0.806 560 L CB 2.253 44.387 42.059 0.124 0.000 1.339 560 L HN 0.681 nan 8.230 nan 0.000 0.463 561 W N -1.011 120.261 121.300 -0.046 0.000 3.008 561 W HA 0.173 4.833 4.660 0.000 0.000 0.355 561 W C 1.145 177.581 176.519 -0.138 0.000 1.095 561 W CA 0.069 57.376 57.345 -0.063 0.000 1.738 561 W CB 0.843 30.293 29.460 -0.017 0.000 1.091 561 W HN 0.416 nan 8.180 nan 0.000 0.574 562 T N -1.960 112.513 114.554 -0.135 0.000 3.154 562 T HA -0.074 4.276 4.350 0.000 0.000 0.258 562 T C 0.993 175.486 174.700 -0.346 0.000 0.899 562 T CA 0.679 62.635 62.100 -0.240 0.000 0.908 562 T CB 0.104 68.784 68.868 -0.313 0.000 1.260 562 T HN 0.006 nan 8.240 nan 0.000 0.521 563 D N 1.868 121.961 120.400 -0.511 0.000 2.339 563 D HA 0.116 4.756 4.640 0.000 0.000 0.217 563 D C 0.497 176.706 176.300 -0.151 0.000 1.050 563 D CA -0.216 53.620 54.000 -0.272 0.000 0.856 563 D CB -0.666 40.021 40.800 -0.189 0.000 0.922 563 D HN 0.473 nan 8.370 nan 0.000 0.518 564 I N 0.993 121.470 120.570 -0.155 0.000 7.474 564 I HA -0.264 3.906 4.170 0.000 0.000 0.126 564 I C -0.553 175.502 176.117 -0.103 0.000 1.805 564 I CA 0.684 61.908 61.300 -0.127 0.000 2.128 564 I CB -1.775 36.153 38.000 -0.121 0.000 3.592 564 I HN 0.294 nan 8.210 nan 0.000 0.196 565 S N 2.104 117.757 115.700 -0.077 0.000 2.588 565 S HA 0.964 5.434 4.470 0.000 0.000 0.275 565 S C -0.539 174.028 174.600 -0.056 0.000 1.130 565 S CA -0.340 57.818 58.200 -0.070 0.000 0.855 565 S CB 2.577 65.753 63.200 -0.041 0.000 1.116 565 S HN 1.014 nan 8.310 nan 0.000 0.472 566 A N 1.406 124.174 122.820 -0.086 0.000 2.356 566 A HA 0.909 5.229 4.320 0.000 0.000 0.310 566 A C -0.533 176.986 177.584 -0.108 0.000 1.075 566 A CA -0.845 51.142 52.037 -0.084 0.000 0.746 566 A CB 1.074 20.018 19.000 -0.093 0.000 1.221 566 A HN 0.793 nan 8.150 nan 0.000 0.443 567 R N 1.115 121.575 120.500 -0.067 0.000 2.808 567 R HA 0.632 4.972 4.340 0.000 0.000 0.272 567 R C -1.197 175.080 176.300 -0.039 0.000 0.995 567 R CA -0.662 55.411 56.100 -0.044 0.000 0.917 567 R CB 1.800 32.093 30.300 -0.011 0.000 1.217 567 R HN 0.519 nan 8.270 nan 0.000 0.471 568 I N 3.870 124.427 120.570 -0.022 0.000 2.354 568 I HA 0.360 4.530 4.170 0.000 0.000 0.286 568 I C -0.356 175.773 176.117 0.020 0.000 1.007 568 I CA -0.205 61.087 61.300 -0.013 0.000 1.167 568 I CB 0.558 38.539 38.000 -0.033 0.000 1.320 568 I HN 0.527 nan 8.210 nan 0.000 0.458 569 L N 5.188 126.435 121.223 0.039 0.000 2.606 569 L HA 0.642 4.982 4.340 0.000 0.000 0.255 569 L C -0.040 176.871 176.870 0.069 0.000 1.501 569 L CA -1.083 53.802 54.840 0.075 0.000 1.593 569 L CB 0.997 43.142 42.059 0.143 0.000 2.049 569 L HN 0.290 nan 8.230 nan 0.000 0.576 570 K N 0.320 120.777 120.400 0.095 0.000 2.444 570 K HA 0.760 5.080 4.320 0.000 0.000 0.252 570 K C -1.819 174.775 176.600 -0.010 0.000 0.993 570 K CA -0.660 55.639 56.287 0.021 0.000 0.847 570 K CB 2.938 35.420 32.500 -0.030 0.000 1.340 570 K HN 0.524 nan 8.250 nan 0.000 0.446 571 L N 4.343 125.510 121.223 -0.093 0.000 2.845 571 L HA 0.270 4.610 4.340 0.000 0.000 0.253 571 L C -2.155 174.603 176.870 -0.187 0.000 0.959 571 L CA -1.432 53.308 54.840 -0.167 0.000 1.001 571 L CB 1.645 43.721 42.059 0.029 0.000 1.374 571 L HN 0.624 nan 8.230 nan 0.000 0.469 572 P HA -0.331 nan 4.420 nan 0.000 0.229 572 P C 1.407 178.282 177.300 -0.708 0.000 0.791 572 P CA 2.013 64.931 63.100 -0.304 0.000 1.091 572 P CB -0.110 31.501 31.700 -0.148 0.000 0.715 573 S N -0.893 114.537 115.700 -0.450 0.000 2.265 573 S HA -0.276 4.194 4.470 0.000 0.000 0.368 573 S C 0.925 175.269 174.600 -0.426 0.000 1.046 573 S CA 2.825 60.788 58.200 -0.395 0.000 2.010 573 S CB -0.863 62.239 63.200 -0.162 0.000 1.582 573 S HN 0.348 nan 8.310 nan 0.000 0.486 574 F N -0.554 119.390 119.950 -0.010 0.000 1.684 574 F HA -0.063 4.464 4.527 0.000 0.000 0.360 574 F C 0.281 176.067 175.800 -0.024 0.000 0.546 574 F CA 0.612 58.599 58.000 -0.020 0.000 2.295 574 F CB -2.391 36.593 39.000 -0.026 0.000 3.077 574 F HN 0.658 nan 8.300 nan 0.000 0.232 575 E N 3.494 123.775 120.200 0.136 0.000 2.438 575 E HA 0.222 4.572 4.350 0.000 0.000 0.261 575 E C 0.274 176.908 176.600 0.056 0.000 1.103 575 E CA -0.426 56.015 56.400 0.068 0.000 0.959 575 E CB 1.191 30.909 29.700 0.030 0.000 0.958 575 E HN 0.269 nan 8.360 nan 0.000 0.447 576 L N 2.920 124.161 121.223 0.031 0.000 2.349 576 L HA 0.105 4.445 4.340 0.000 0.000 0.275 576 L C -0.332 176.547 176.870 0.014 0.000 1.115 576 L CA -0.019 54.833 54.840 0.019 0.000 0.820 576 L CB 1.032 43.093 42.059 0.003 0.000 1.135 576 L HN 0.792 nan 8.230 nan 0.000 0.445 577 L N 4.582 125.819 121.223 0.024 0.000 2.688 577 L HA 0.320 4.660 4.340 0.000 0.000 0.216 577 L C 0.066 176.967 176.870 0.051 0.000 1.036 577 L CA 0.095 54.952 54.840 0.028 0.000 0.906 577 L CB -0.264 41.816 42.059 0.035 0.000 1.501 577 L HN 0.751 nan 8.230 nan 0.000 0.489 578 H N 0.917 119.956 119.070 -0.051 0.000 3.224 578 H HA 0.429 4.985 4.556 0.000 0.000 0.331 578 H C -1.169 174.105 175.328 -0.091 0.000 1.002 578 H CA -0.696 55.307 56.048 -0.074 0.000 1.473 578 H CB 0.949 30.655 29.762 -0.092 0.000 1.830 578 H HN 0.008 nan 8.280 nan 0.000 0.485 579 K N 3.487 123.932 120.400 0.076 0.000 2.234 579 K HA 0.302 4.622 4.320 0.000 0.000 0.277 579 K C -0.533 176.123 176.600 0.094 0.000 1.038 579 K CA -0.919 55.406 56.287 0.064 0.000 0.888 579 K CB 2.151 34.651 32.500 -0.000 0.000 1.091 579 K HN 0.324 nan 8.250 nan 0.000 0.467 580 E N 3.829 124.043 120.200 0.023 0.000 2.092 580 E HA 0.167 4.517 4.350 0.000 0.000 0.271 580 E C -1.106 175.433 176.600 -0.102 0.000 0.919 580 E CA -0.716 55.642 56.400 -0.070 0.000 0.760 580 E CB 0.932 30.426 29.700 -0.344 0.000 1.106 580 E HN 0.506 nan 8.360 nan 0.000 0.408 581 M N 5.330 124.888 119.600 -0.070 0.000 2.227 581 M HA 0.143 4.623 4.480 0.000 0.000 0.349 581 M C 0.088 176.310 176.300 -0.130 0.000 1.443 581 M CA 0.436 55.688 55.300 -0.081 0.000 1.110 581 M CB 0.515 33.084 32.600 -0.051 0.000 1.773 581 M HN 0.752 nan 8.290 nan 0.000 0.463 582 L N 3.405 124.523 121.223 -0.174 0.000 2.446 582 L HA 0.284 4.624 4.340 0.000 0.000 0.219 582 L C 1.295 178.049 176.870 -0.193 0.000 1.116 582 L CA 0.210 54.867 54.840 -0.305 0.000 0.844 582 L CB -1.037 40.813 42.059 -0.349 0.000 0.970 582 L HN 1.014 nan 8.230 nan 0.000 0.457 583 G N -0.158 108.581 108.800 -0.103 0.000 2.750 583 G HA2 0.030 3.990 3.960 0.000 0.000 0.228 583 G HA3 0.030 3.990 3.960 0.000 0.000 0.228 583 G C 0.449 175.333 174.900 -0.027 0.000 1.367 583 G CA -0.312 44.759 45.100 -0.048 0.000 0.871 583 G HN 0.723 nan 8.290 nan 0.000 0.560 584 G N -0.911 107.886 108.800 -0.004 0.000 2.564 584 G HA2 0.129 4.090 3.960 0.000 0.000 0.273 584 G HA3 0.129 4.090 3.960 0.000 0.000 0.273 584 G C 0.641 175.526 174.900 -0.024 0.000 1.242 584 G CA 1.406 46.507 45.100 0.001 0.000 0.951 584 G HN 2.274 nan 8.290 nan 0.000 0.564 585 E N -1.075 119.107 120.200 -0.029 0.000 2.753 585 E HA 0.264 4.614 4.350 0.000 0.000 0.218 585 E C 0.112 176.663 176.600 -0.083 0.000 0.956 585 E CA -0.415 55.953 56.400 -0.054 0.000 1.244 585 E CB 0.647 30.324 29.700 -0.038 0.000 1.114 585 E HN 0.486 nan 8.360 nan 0.000 0.530 586 I N 4.053 124.577 120.570 -0.077 0.000 2.359 586 I HA 0.290 4.460 4.170 0.000 0.000 0.294 586 I C 0.931 176.952 176.117 -0.159 0.000 0.987 586 I CA -1.097 60.137 61.300 -0.109 0.000 1.225 586 I CB 1.181 39.145 38.000 -0.060 0.000 1.366 586 I HN 0.094 nan 8.210 nan 0.000 0.466 587 I N 5.085 125.487 120.570 -0.279 0.000 2.638 587 I HA 0.395 4.565 4.170 0.000 0.000 0.286 587 I C -2.462 173.530 176.117 -0.209 0.000 1.088 587 I CA -1.781 59.306 61.300 -0.355 0.000 1.397 587 I CB 0.120 37.651 38.000 -0.783 0.000 1.414 587 I HN 0.210 nan 8.210 nan 0.000 0.566 588 P HA 0.119 nan 4.420 nan 0.000 0.266 588 P C 0.123 177.393 177.300 -0.049 0.000 1.193 588 P CA -0.034 63.036 63.100 -0.049 0.000 0.770 588 P CB 0.588 32.274 31.700 -0.023 0.000 0.836 589 R N 0.580 121.079 120.500 -0.001 0.000 2.310 589 R HA 0.256 4.596 4.340 0.000 0.000 0.199 589 R C -0.125 176.200 176.300 0.041 0.000 0.891 589 R CA 0.681 56.787 56.100 0.011 0.000 1.060 589 R CB 0.617 30.921 30.300 0.006 0.000 1.188 589 R HN 0.426 nan 8.270 nan 0.000 0.607 590 S N -0.176 115.558 115.700 0.055 0.000 2.564 590 S HA 0.539 5.009 4.470 0.000 0.000 0.274 590 S C -1.216 173.433 174.600 0.082 0.000 1.124 590 S CA -0.536 57.706 58.200 0.071 0.000 0.869 590 S CB 2.689 65.936 63.200 0.079 0.000 1.105 590 S HN 0.206 nan 8.310 nan 0.000 0.472 591 I N 2.405 123.024 120.570 0.082 0.000 2.582 591 I HA 0.697 4.867 4.170 0.000 0.000 0.292 591 I C -2.097 174.073 176.117 0.089 0.000 1.066 591 I CA -0.877 60.476 61.300 0.087 0.000 1.053 591 I CB 1.527 39.566 38.000 0.066 0.000 1.241 591 I HN 0.528 nan 8.210 nan 0.000 0.421 592 L N 7.795 129.078 121.223 0.100 0.000 2.493 592 L HA 0.593 4.933 4.340 0.000 0.000 0.265 592 L C -1.372 175.553 176.870 0.093 0.000 0.954 592 L CA -0.398 54.497 54.840 0.092 0.000 0.844 592 L CB 2.056 44.169 42.059 0.089 0.000 1.302 592 L HN 0.599 nan 8.230 nan 0.000 0.405 593 M N 2.673 122.324 119.600 0.085 0.000 2.436 593 M HA 0.940 5.420 4.480 0.000 0.000 0.331 593 M C -0.342 176.019 176.300 0.100 0.000 1.135 593 M CA -0.338 55.022 55.300 0.100 0.000 0.987 593 M CB 1.850 34.511 32.600 0.103 0.000 1.687 593 M HN 0.523 nan 8.290 nan 0.000 0.445 594 T N -2.108 112.491 114.554 0.075 0.000 2.923 594 T HA 0.627 4.977 4.350 0.000 0.000 0.311 594 T C -0.362 174.230 174.700 -0.180 0.000 1.183 594 T CA -0.992 61.110 62.100 0.003 0.000 1.020 594 T CB 1.303 70.122 68.868 -0.081 0.000 1.165 594 T HN 0.880 nan 8.240 nan 0.000 0.482 595 T N 1.097 115.626 114.554 -0.042 0.000 2.750 595 T HA 0.332 4.682 4.350 0.000 0.000 0.286 595 T C 0.692 175.383 174.700 -0.015 0.000 0.911 595 T CA -0.588 61.423 62.100 -0.147 0.000 1.130 595 T CB -0.742 68.185 68.868 0.098 0.000 0.873 595 T HN 0.556 nan 8.240 nan 0.000 0.536 596 F N 2.380 122.220 119.950 -0.183 0.000 2.012 596 F HA 0.049 4.576 4.527 -0.000 0.000 0.289 596 F C 2.237 178.014 175.800 -0.039 0.000 1.207 596 F CA 0.606 58.545 58.000 -0.101 0.000 1.144 596 F CB 0.272 39.251 39.000 -0.035 0.000 0.992 596 F HN 0.555 nan 8.300 nan 0.000 0.485 597 E N -1.586 118.800 120.200 0.310 0.000 3.001 597 E HA 0.056 4.406 4.350 0.000 0.000 0.211 597 E C -0.608 176.112 176.600 0.200 0.000 1.026 597 E CA 0.294 56.813 56.400 0.199 0.000 1.614 597 E CB 0.969 30.766 29.700 0.161 0.000 1.672 597 E HN 0.154 nan 8.360 nan 0.000 0.869 598 S N 0.082 115.941 115.700 0.266 0.000 2.385 598 S HA 0.713 5.183 4.470 0.000 0.000 0.191 598 S C -0.650 173.861 174.600 -0.147 0.000 1.196 598 S CA -0.243 58.001 58.200 0.073 0.000 1.178 598 S CB 1.019 64.245 63.200 0.042 0.000 1.258 598 S HN 0.152 nan 8.310 nan 0.000 0.430 599 S N 1.525 117.226 115.700 0.002 0.000 2.802 599 S HA 0.219 4.689 4.470 0.000 0.000 0.272 599 S C -2.061 172.560 174.600 0.036 0.000 0.788 599 S CA -0.642 57.569 58.200 0.017 0.000 1.016 599 S CB 0.054 63.169 63.200 -0.142 0.000 1.278 599 S HN 0.839 nan 8.310 nan 0.000 0.494 600 H N 1.285 120.389 119.070 0.056 0.000 2.821 600 H HA 0.709 5.265 4.556 0.000 0.000 0.373 600 H C -1.387 173.918 175.328 -0.038 0.000 1.165 600 H CA -0.253 55.831 56.048 0.060 0.000 1.154 600 H CB 1.646 31.413 29.762 0.008 0.000 1.765 600 H HN 0.608 nan 8.280 nan 0.000 0.549 601 Y N 0.066 120.365 120.300 -0.002 0.000 2.655 601 Y HA 0.339 4.889 4.550 0.000 0.000 0.336 601 Y C -0.951 174.987 175.900 0.062 0.000 1.154 601 Y CA -0.847 57.264 58.100 0.019 0.000 1.055 601 Y CB 1.702 40.114 38.460 -0.079 0.000 1.295 601 Y HN 0.367 nan 8.280 nan 0.000 0.465 602 L N 1.932 123.355 121.223 0.333 0.000 2.365 602 L HA 0.799 5.139 4.340 0.000 0.000 0.273 602 L C -1.997 175.110 176.870 0.396 0.000 1.000 602 L CA -0.615 54.400 54.840 0.291 0.000 0.819 602 L CB 1.358 43.543 42.059 0.209 0.000 1.284 602 L HN 0.429 nan 8.230 nan 0.000 0.418 603 L N 4.742 126.139 121.223 0.290 0.000 2.408 603 L HA 0.629 4.970 4.340 0.000 0.000 0.268 603 L C -0.909 176.112 176.870 0.251 0.000 0.986 603 L CA -0.444 54.571 54.840 0.291 0.000 0.820 603 L CB 1.539 43.710 42.059 0.187 0.000 1.303 603 L HN 0.694 nan 8.230 nan 0.000 0.411 604 C N 2.448 121.925 119.300 0.294 0.000 2.551 604 C HA 0.887 5.347 4.460 0.000 0.000 0.332 604 C C -0.188 174.940 174.990 0.231 0.000 1.139 604 C CA -0.534 58.629 59.018 0.241 0.000 1.328 604 C CB 0.721 28.616 27.740 0.259 0.000 1.903 604 C HN 0.966 nan 8.230 nan 0.000 0.459 605 A N 6.857 129.768 122.820 0.150 0.000 2.249 605 A HA 0.689 5.009 4.320 0.000 0.000 0.314 605 A C -0.335 177.302 177.584 0.088 0.000 1.290 605 A CA -0.337 51.764 52.037 0.106 0.000 0.893 605 A CB 0.314 19.356 19.000 0.070 0.000 1.165 605 A HN 0.923 nan 8.150 nan 0.000 0.530 606 L N 1.968 123.249 121.223 0.097 0.000 2.475 606 L HA 0.352 4.692 4.340 0.000 0.000 0.253 606 L C 1.707 178.582 176.870 0.007 0.000 1.198 606 L CA -0.154 54.721 54.840 0.057 0.000 0.814 606 L CB 0.621 42.738 42.059 0.096 0.000 1.134 606 L HN 0.802 nan 8.230 nan 0.000 0.478 607 G N -0.516 108.269 108.800 -0.026 0.000 2.956 607 G HA2 -0.119 3.841 3.960 0.000 0.000 0.207 607 G HA3 -0.119 3.841 3.960 0.000 0.000 0.207 607 G C 0.736 175.615 174.900 -0.034 0.000 1.162 607 G CA 0.320 45.398 45.100 -0.037 0.000 0.796 607 G HN 0.848 nan 8.290 nan 0.000 0.527 608 D N -1.223 119.161 120.400 -0.027 0.000 2.301 608 D HA 0.205 4.845 4.640 0.000 0.000 0.206 608 D C 1.735 178.012 176.300 -0.040 0.000 0.979 608 D CA 1.034 55.015 54.000 -0.030 0.000 0.874 608 D CB -0.219 40.567 40.800 -0.023 0.000 0.968 608 D HN 0.372 nan 8.370 nan 0.000 0.510 609 G N -0.337 108.437 108.800 -0.043 0.000 2.624 609 G HA2 0.042 4.002 3.960 0.000 0.000 0.190 609 G HA3 0.042 4.002 3.960 0.000 0.000 0.190 609 G C 0.507 175.359 174.900 -0.081 0.000 1.008 609 G CA 0.087 45.152 45.100 -0.059 0.000 0.731 609 G HN 0.684 nan 8.290 nan 0.000 0.478 610 A N -0.075 122.694 122.820 -0.086 0.000 2.327 610 A HA 0.847 5.167 4.320 0.000 0.000 0.255 610 A C -0.151 177.361 177.584 -0.120 0.000 1.099 610 A CA 0.640 52.586 52.037 -0.153 0.000 0.801 610 A CB 0.958 19.838 19.000 -0.201 0.000 1.062 610 A HN 1.502 nan 8.150 nan 0.000 0.496 611 L N -0.432 120.668 121.223 -0.205 0.000 2.472 611 L HA 0.736 5.076 4.340 0.000 0.000 0.260 611 L C -1.663 175.103 176.870 -0.173 0.000 0.963 611 L CA -0.498 54.303 54.840 -0.064 0.000 0.829 611 L CB 1.596 43.655 42.059 0.000 0.000 1.348 611 L HN 0.666 nan 8.230 nan 0.000 0.408 612 F N 3.134 123.132 119.950 0.080 0.000 2.483 612 F HA 0.673 5.200 4.527 0.000 0.000 0.329 612 F C -0.661 175.193 175.800 0.090 0.000 1.064 612 F CA -0.247 57.739 58.000 -0.023 0.000 0.986 612 F CB 1.733 40.712 39.000 -0.035 0.000 1.218 612 F HN 0.409 nan 8.300 nan 0.000 0.484 613 Y N -0.307 119.903 120.300 -0.149 0.000 2.513 613 Y HA 0.778 5.328 4.550 -0.000 0.000 0.340 613 Y C -2.071 173.626 175.900 -0.338 0.000 1.055 613 Y CA -2.252 55.806 58.100 -0.069 0.000 1.020 613 Y CB 0.877 39.413 38.460 0.126 0.000 1.301 613 Y HN 0.408 nan 8.280 nan 0.000 0.453 614 F N 0.470 120.589 119.950 0.283 0.000 2.654 614 F HA 0.784 5.311 4.527 0.000 0.000 0.334 614 F C 0.658 176.499 175.800 0.069 0.000 1.078 614 F CA -1.517 56.547 58.000 0.107 0.000 0.986 614 F CB 2.117 41.119 39.000 0.004 0.000 1.362 614 F HN 0.847 nan 8.300 nan 0.000 0.498 615 G N 1.825 110.710 108.800 0.141 0.000 2.977 615 G HA2 0.448 4.408 3.960 0.000 0.000 0.306 615 G HA3 0.448 4.408 3.960 0.000 0.000 0.306 615 G C -0.474 174.387 174.900 -0.065 0.000 0.885 615 G CA 0.001 45.043 45.100 -0.096 0.000 1.649 615 G HN 0.401 nan 8.290 nan 0.000 0.514 616 L N 1.652 122.847 121.223 -0.046 0.000 2.895 616 L HA 0.617 4.957 4.340 0.000 0.000 0.168 616 L C 0.131 176.981 176.870 -0.033 0.000 1.252 616 L CA -0.433 54.392 54.840 -0.027 0.000 1.305 616 L CB 0.504 42.575 42.059 0.021 0.000 2.208 616 L HN 0.647 nan 8.230 nan 0.000 0.503 617 N N -0.388 118.301 118.700 -0.018 0.000 5.698 617 N HA 0.018 4.758 4.740 0.000 0.000 0.140 617 N C -0.203 175.236 175.510 -0.118 0.000 1.032 617 N CA 0.178 53.200 53.050 -0.047 0.000 1.114 617 N CB -0.704 37.757 38.487 -0.043 0.000 1.506 617 N HN 0.670 nan 8.380 nan 0.000 1.091 618 I N -2.154 118.252 120.570 -0.272 0.000 3.334 618 I HA 0.047 4.217 4.170 0.000 0.000 0.282 618 I C 0.536 176.555 176.117 -0.164 0.000 1.313 618 I CA 0.738 61.865 61.300 -0.288 0.000 1.396 618 I CB -0.095 37.585 38.000 -0.534 0.000 1.054 618 I HN 0.325 nan 8.210 nan 0.000 0.495 619 E N 0.865 120.995 120.200 -0.116 0.000 2.354 619 E HA 0.074 4.424 4.350 0.000 0.000 0.203 619 E C 1.818 178.390 176.600 -0.048 0.000 0.841 619 E CA 0.834 57.190 56.400 -0.073 0.000 1.046 619 E CB -0.041 29.624 29.700 -0.060 0.000 1.040 619 E HN 0.413 nan 8.360 nan 0.000 0.504 620 T N -0.005 114.523 114.554 -0.043 0.000 2.673 620 T HA 0.243 4.593 4.350 0.000 0.000 0.248 620 T C 0.985 175.670 174.700 -0.025 0.000 1.080 620 T CA 1.314 63.398 62.100 -0.028 0.000 1.203 620 T CB -0.282 68.573 68.868 -0.021 0.000 0.893 620 T HN 0.347 nan 8.240 nan 0.000 0.404 621 G N 1.232 110.017 108.800 -0.025 0.000 2.602 621 G HA2 0.307 4.267 3.960 0.000 0.000 0.291 621 G HA3 0.307 4.267 3.960 0.000 0.000 0.291 621 G C -1.250 173.648 174.900 -0.002 0.000 0.988 621 G CA -0.768 44.320 45.100 -0.019 0.000 1.295 621 G HN 0.627 nan 8.290 nan 0.000 0.630 622 L N -0.863 120.352 121.223 -0.014 0.000 2.666 622 L HA 0.732 5.072 4.340 0.000 0.000 0.259 622 L C -0.185 176.651 176.870 -0.056 0.000 0.919 622 L CA -1.152 53.702 54.840 0.022 0.000 0.927 622 L CB 0.714 42.809 42.059 0.060 0.000 1.423 622 L HN 0.224 nan 8.230 nan 0.000 0.426 623 L N 0.900 121.997 121.223 -0.210 0.000 2.454 623 L HA 0.852 5.192 4.340 0.000 0.000 0.256 623 L C 0.513 177.329 176.870 -0.090 0.000 1.136 623 L CA -0.084 54.548 54.840 -0.346 0.000 0.804 623 L CB 1.714 43.215 42.059 -0.930 0.000 1.181 623 L HN 1.028 nan 8.230 nan 0.000 0.469 624 S N -1.221 114.484 115.700 0.008 0.000 3.962 624 S HA 0.144 4.615 4.470 0.000 0.000 0.175 624 S C -1.036 173.657 174.600 0.154 0.000 1.091 624 S CA -0.625 57.623 58.200 0.081 0.000 1.174 624 S CB 0.014 63.232 63.200 0.030 0.000 1.845 624 S HN 0.666 nan 8.310 nan 0.000 0.835 625 D N 1.517 121.980 120.400 0.105 0.000 2.419 625 D HA 0.374 5.014 4.640 0.000 0.000 0.236 625 D C 0.035 176.351 176.300 0.027 0.000 1.165 625 D CA 0.525 54.558 54.000 0.055 0.000 0.882 625 D CB 0.453 41.262 40.800 0.015 0.000 1.201 625 D HN 0.137 nan 8.370 nan 0.000 0.443 626 R N 0.721 121.156 120.500 -0.107 0.000 2.686 626 R HA 0.605 4.945 4.340 0.000 0.000 0.286 626 R C -1.217 174.833 176.300 -0.416 0.000 0.969 626 R CA -0.850 55.049 56.100 -0.334 0.000 0.898 626 R CB 1.080 31.338 30.300 -0.069 0.000 1.183 626 R HN 0.340 nan 8.270 nan 0.000 0.456 627 K N 1.448 121.457 120.400 -0.651 0.000 2.568 627 K HA 0.324 4.644 4.320 0.000 0.000 0.273 627 K C -1.943 174.314 176.600 -0.573 0.000 0.951 627 K CA -0.740 55.152 56.287 -0.658 0.000 0.854 627 K CB 2.168 33.990 32.500 -1.130 0.000 1.424 627 K HN 0.431 nan 8.250 nan 0.000 0.427 628 K N 1.598 121.740 120.400 -0.429 0.000 2.422 628 K HA 0.767 5.087 4.320 0.000 0.000 0.251 628 K C -1.925 174.465 176.600 -0.350 0.000 0.933 628 K CA -0.864 55.083 56.287 -0.568 0.000 0.798 628 K CB 2.157 34.277 32.500 -0.633 0.000 1.238 628 K HN 0.328 nan 8.250 nan 0.000 0.428 629 V N 2.917 122.605 119.914 -0.377 0.000 2.737 629 V HA 0.401 4.521 4.120 0.000 0.000 0.298 629 V C -1.103 174.772 176.094 -0.366 0.000 1.163 629 V CA -0.222 61.863 62.300 -0.358 0.000 0.925 629 V CB 1.730 33.233 31.823 -0.533 0.000 1.037 629 V HN 0.948 nan 8.190 nan 0.000 0.433 630 T N 5.704 120.086 114.554 -0.286 0.000 2.845 630 T HA 0.681 5.031 4.350 0.000 0.000 0.288 630 T C 0.488 175.061 174.700 -0.212 0.000 0.980 630 T CA -0.395 61.573 62.100 -0.220 0.000 1.071 630 T CB 1.426 70.203 68.868 -0.153 0.000 0.941 630 T HN 0.658 nan 8.240 nan 0.000 0.487 631 L N 2.667 123.789 121.223 -0.169 0.000 3.194 631 L HA 0.545 4.885 4.340 0.000 0.000 0.183 631 L C 1.898 178.706 176.870 -0.102 0.000 1.359 631 L CA -0.709 54.048 54.840 -0.139 0.000 1.759 631 L CB -0.845 41.141 42.059 -0.121 0.000 1.854 631 L HN 0.824 nan 8.230 nan 0.000 0.906 632 G N -0.350 108.399 108.800 -0.085 0.000 2.683 632 G HA2 0.231 4.191 3.960 0.000 0.000 0.260 632 G HA3 0.231 4.191 3.960 0.000 0.000 0.260 632 G C 0.749 175.610 174.900 -0.065 0.000 1.238 632 G CA 0.527 45.585 45.100 -0.071 0.000 0.934 632 G HN 0.484 nan 8.290 nan 0.000 0.534 633 T N -3.127 111.394 114.554 -0.056 0.000 3.022 633 T HA 0.224 4.574 4.350 0.000 0.000 0.250 633 T C 0.684 175.357 174.700 -0.044 0.000 1.060 633 T CA 0.158 62.230 62.100 -0.048 0.000 1.013 633 T CB 0.282 69.125 68.868 -0.042 0.000 0.982 633 T HN 0.304 nan 8.240 nan 0.000 0.508 634 Q N 2.080 121.851 119.800 -0.049 0.000 2.204 634 Q HA 0.447 4.787 4.340 0.000 0.000 0.254 634 Q C -2.793 173.178 176.000 -0.048 0.000 0.981 634 Q CA -2.981 52.794 55.803 -0.048 0.000 0.897 634 Q CB 0.988 29.693 28.738 -0.055 0.000 1.273 634 Q HN 0.149 nan 8.270 nan 0.000 0.464 635 P HA -0.035 nan 4.420 nan 0.000 0.258 635 P C -0.508 176.769 177.300 -0.038 0.000 1.187 635 P CA 0.383 63.462 63.100 -0.034 0.000 0.767 635 P CB 0.001 31.686 31.700 -0.026 0.000 0.770 636 T N 3.114 117.653 114.554 -0.026 0.000 2.884 636 T HA 0.234 4.584 4.350 0.000 0.000 0.298 636 T C 0.372 175.072 174.700 0.001 0.000 0.998 636 T CA -0.091 61.996 62.100 -0.021 0.000 1.124 636 T CB 0.490 69.350 68.868 -0.013 0.000 0.931 636 T HN 0.084 nan 8.240 nan 0.000 0.531 637 V N 5.162 125.074 119.914 -0.004 0.000 2.409 637 V HA 0.417 4.537 4.120 0.000 0.000 0.291 637 V C 0.054 176.192 176.094 0.072 0.000 1.020 637 V CA -0.769 61.550 62.300 0.031 0.000 0.848 637 V CB 1.294 33.122 31.823 0.008 0.000 0.990 637 V HN 0.702 nan 8.190 nan 0.000 0.430 638 L N 4.596 125.874 121.223 0.092 0.000 2.387 638 L HA 0.852 5.192 4.340 0.000 0.000 0.266 638 L C -0.045 176.899 176.870 0.124 0.000 1.059 638 L CA -0.684 54.225 54.840 0.115 0.000 0.801 638 L CB 1.466 43.589 42.059 0.106 0.000 1.223 638 L HN 0.632 nan 8.230 nan 0.000 0.456 639 R N -0.222 120.369 120.500 0.152 0.000 2.728 639 R HA 0.327 4.667 4.340 0.000 0.000 0.259 639 R C -1.621 174.805 176.300 0.210 0.000 1.057 639 R CA -0.440 55.749 56.100 0.150 0.000 0.908 639 R CB 1.131 31.486 30.300 0.091 0.000 1.259 639 R HN 0.619 nan 8.270 nan 0.000 0.472 640 T N 3.916 118.584 114.554 0.190 0.000 2.922 640 T HA 0.725 5.075 4.350 0.000 0.000 0.285 640 T C -0.623 174.254 174.700 0.296 0.000 1.005 640 T CA -0.144 62.072 62.100 0.194 0.000 1.061 640 T CB 0.371 69.309 68.868 0.118 0.000 1.007 640 T HN 0.428 nan 8.240 nan 0.000 0.502 641 F N -0.609 119.377 119.950 0.059 0.000 2.619 641 F HA 0.718 5.245 4.527 0.000 0.000 0.308 641 F C -0.830 175.005 175.800 0.058 0.000 1.097 641 F CA -1.439 56.592 58.000 0.053 0.000 0.953 641 F CB 1.699 40.727 39.000 0.047 0.000 1.287 641 F HN 0.367 nan 8.300 nan 0.000 0.446 642 R N 2.022 122.536 120.500 0.024 0.000 2.343 642 R HA 0.463 4.803 4.340 0.000 0.000 0.320 642 R C -0.083 176.279 176.300 0.104 0.000 0.956 642 R CA 0.222 56.294 56.100 -0.046 0.000 0.836 642 R CB 1.880 32.190 30.300 0.017 0.000 1.151 642 R HN 1.089 nan 8.270 nan 0.000 0.450 643 S N 4.947 120.695 115.700 0.080 0.000 2.527 643 S HA 0.026 4.496 4.470 0.000 0.000 0.225 643 S C 1.487 176.156 174.600 0.116 0.000 1.046 643 S CA -0.177 58.142 58.200 0.200 0.000 0.929 643 S CB -0.508 62.894 63.200 0.337 0.000 0.851 643 S HN 0.563 nan 8.310 nan 0.000 0.565 644 L N 1.196 122.462 121.223 0.072 0.000 2.650 644 L HA 0.549 4.889 4.340 0.000 0.000 0.145 644 L C 2.292 179.182 176.870 0.033 0.000 1.710 644 L CA 0.137 55.008 54.840 0.051 0.000 3.000 644 L CB -0.966 41.115 42.059 0.037 0.000 3.029 644 L HN 0.342 nan 8.230 nan 0.000 0.800 645 S N -1.054 114.658 115.700 0.020 0.000 2.414 645 S HA -0.015 4.455 4.470 0.000 0.000 0.227 645 S C 1.095 175.697 174.600 0.003 0.000 1.022 645 S CA 0.400 58.611 58.200 0.018 0.000 0.958 645 S CB -1.199 62.012 63.200 0.019 0.000 0.797 645 S HN 0.859 nan 8.310 nan 0.000 0.493 646 T N 1.069 115.610 114.554 -0.022 0.000 2.902 646 T HA 0.576 4.926 4.350 0.000 0.000 0.280 646 T C -0.183 174.451 174.700 -0.111 0.000 0.992 646 T CA -0.327 61.742 62.100 -0.052 0.000 1.015 646 T CB 1.313 70.135 68.868 -0.077 0.000 1.044 646 T HN 0.353 nan 8.240 nan 0.000 0.520 647 T N 0.700 115.184 114.554 -0.116 0.000 2.791 647 T HA 0.554 4.904 4.350 0.000 0.000 0.288 647 T C -0.505 174.061 174.700 -0.224 0.000 0.999 647 T CA -1.036 60.958 62.100 -0.178 0.000 0.952 647 T CB 0.607 69.447 68.868 -0.047 0.000 0.938 647 T HN 0.637 nan 8.240 nan 0.000 0.444 648 N N 1.563 119.943 118.700 -0.534 0.000 2.741 648 N HA 0.631 5.371 4.740 0.000 0.000 0.310 648 N C -1.097 174.263 175.510 -0.250 0.000 1.295 648 N CA -0.693 52.091 53.050 -0.444 0.000 0.893 648 N CB 2.008 40.118 38.487 -0.629 0.000 1.247 648 N HN 0.421 nan 8.380 nan 0.000 0.596 649 V N 1.350 121.224 119.914 -0.066 0.000 2.409 649 V HA 0.315 4.435 4.120 0.000 0.000 0.291 649 V C -0.705 175.511 176.094 0.204 0.000 1.020 649 V CA -0.730 61.638 62.300 0.112 0.000 0.848 649 V CB 0.922 32.770 31.823 0.042 0.000 0.990 649 V HN 0.490 nan 8.190 nan 0.000 0.430 650 F N 4.392 124.474 119.950 0.219 0.000 2.424 650 F HA 0.646 5.173 4.527 0.000 0.000 0.356 650 F C 0.614 176.412 175.800 -0.003 0.000 1.110 650 F CA -0.288 57.734 58.000 0.035 0.000 1.161 650 F CB 0.773 39.699 39.000 -0.123 0.000 1.115 650 F HN 0.560 nan 8.300 nan 0.000 0.507 651 A N 6.196 128.961 122.820 -0.093 0.000 2.260 651 A HA 0.510 4.830 4.320 0.000 0.000 0.314 651 A C -0.990 176.636 177.584 0.069 0.000 1.257 651 A CA -0.509 51.538 52.037 0.017 0.000 0.871 651 A CB 0.160 19.132 19.000 -0.047 0.000 1.166 651 A HN 0.840 nan 8.150 nan 0.000 0.522 652 C N 2.924 122.324 119.300 0.166 0.000 2.330 652 C HA 0.849 5.309 4.460 0.000 0.000 0.344 652 C C 0.805 175.784 174.990 -0.019 0.000 1.273 652 C CA 0.441 59.531 59.018 0.120 0.000 1.879 652 C CB -0.453 27.292 27.740 0.008 0.000 2.376 652 C HN 1.129 nan 8.230 nan 0.000 0.534 653 S N 1.748 117.424 115.700 -0.039 0.000 2.655 653 S HA 0.251 4.721 4.470 0.000 0.000 0.273 653 S C 0.103 174.663 174.600 -0.067 0.000 1.177 653 S CA -0.281 57.877 58.200 -0.070 0.000 0.918 653 S CB 0.504 63.666 63.200 -0.064 0.000 1.217 653 S HN 0.700 nan 8.310 nan 0.000 0.492 654 D N -0.093 120.267 120.400 -0.067 0.000 2.347 654 D HA -0.069 4.571 4.640 0.000 0.000 0.215 654 D C 0.700 176.966 176.300 -0.056 0.000 0.976 654 D CA 0.332 54.296 54.000 -0.060 0.000 0.884 654 D CB 0.124 40.891 40.800 -0.056 0.000 0.915 654 D HN 0.529 nan 8.370 nan 0.000 0.526 655 R N 1.050 121.512 120.500 -0.063 0.000 2.585 655 R HA 0.295 4.635 4.340 0.000 0.000 0.278 655 R C -3.021 173.226 176.300 -0.089 0.000 1.663 655 R CA -1.527 54.532 56.100 -0.070 0.000 1.592 655 R CB 1.157 31.414 30.300 -0.072 0.000 1.200 655 R HN -0.161 nan 8.270 nan 0.000 0.611 656 P HA 0.054 nan 4.420 nan 0.000 0.267 656 P C -0.439 176.694 177.300 -0.278 0.000 1.209 656 P CA 0.382 63.397 63.100 -0.143 0.000 0.763 656 P CB 1.288 32.967 31.700 -0.035 0.000 0.816 657 T N -0.122 114.194 114.554 -0.397 0.000 2.888 657 T HA 0.679 5.029 4.350 0.000 0.000 0.288 657 T C -0.791 173.566 174.700 -0.571 0.000 1.063 657 T CA -0.828 61.058 62.100 -0.357 0.000 1.010 657 T CB 1.065 69.847 68.868 -0.144 0.000 1.214 657 T HN 0.034 nan 8.240 nan 0.000 0.533 658 V N 1.604 121.270 119.914 -0.414 0.000 2.588 658 V HA 0.479 4.599 4.120 0.000 0.000 0.304 658 V C -0.350 175.454 176.094 -0.485 0.000 1.042 658 V CA -1.053 60.963 62.300 -0.474 0.000 0.877 658 V CB 1.702 33.229 31.823 -0.494 0.000 0.996 658 V HN 0.826 nan 8.190 nan 0.000 0.425 659 I N 5.335 125.622 120.570 -0.473 0.000 2.342 659 I HA 0.442 4.612 4.170 0.000 0.000 0.291 659 I C -0.570 175.146 176.117 -0.668 0.000 1.010 659 I CA -0.157 60.801 61.300 -0.570 0.000 1.308 659 I CB 0.455 38.216 38.000 -0.398 0.000 1.400 659 I HN 0.550 nan 8.210 nan 0.000 0.488 660 Y N 3.146 123.131 120.300 -0.524 0.000 2.968 660 Y HA 0.578 5.128 4.550 -0.000 0.000 0.316 660 Y C 0.395 175.866 175.900 -0.715 0.000 1.359 660 Y CA -0.767 57.009 58.100 -0.539 0.000 1.107 660 Y CB 1.996 40.231 38.460 -0.376 0.000 1.374 660 Y HN 0.520 nan 8.280 nan 0.000 0.621 661 S N -0.464 114.988 115.700 -0.413 0.000 2.586 661 S HA 0.235 4.705 4.470 0.000 0.000 0.296 661 S C -0.268 174.096 174.600 -0.392 0.000 1.120 661 S CA -0.144 57.732 58.200 -0.540 0.000 0.927 661 S CB 0.491 63.054 63.200 -1.062 0.000 1.114 661 S HN 0.804 nan 8.310 nan 0.000 0.453 662 S N 4.912 120.458 115.700 -0.256 0.000 2.303 662 S HA 0.039 4.509 4.470 0.000 0.000 0.170 662 S C 1.518 176.023 174.600 -0.159 0.000 1.226 662 S CA 1.288 59.379 58.200 -0.182 0.000 1.750 662 S CB -1.243 61.890 63.200 -0.112 0.000 0.714 662 S HN 0.795 nan 8.310 nan 0.000 0.383 663 N N 0.747 119.397 118.700 -0.082 0.000 2.009 663 N HA -0.159 4.581 4.740 0.000 0.000 0.195 663 N C 1.319 176.855 175.510 0.044 0.000 1.076 663 N CA 1.995 55.041 53.050 -0.007 0.000 0.863 663 N CB -0.299 38.202 38.487 0.023 0.000 1.062 663 N HN 0.643 nan 8.380 nan 0.000 0.425 664 H N -1.753 117.329 119.070 0.019 0.000 3.124 664 H HA 0.249 4.805 4.556 0.000 0.000 0.250 664 H C -0.584 174.827 175.328 0.139 0.000 1.184 664 H CA -0.403 55.698 56.048 0.087 0.000 1.013 664 H CB 0.511 30.395 29.762 0.203 0.000 1.891 664 H HN 0.134 nan 8.280 nan 0.000 0.687 665 K N 1.358 121.828 120.400 0.116 0.000 2.237 665 K HA 0.270 4.590 4.320 0.000 0.000 0.270 665 K C -0.087 176.492 176.600 -0.035 0.000 1.015 665 K CA -0.284 56.064 56.287 0.102 0.000 0.949 665 K CB 0.866 33.416 32.500 0.083 0.000 0.976 665 K HN 0.106 nan 8.250 nan 0.000 0.472 666 L N 4.005 125.210 121.223 -0.030 0.000 2.331 666 L HA 0.268 4.608 4.340 0.000 0.000 0.278 666 L C -0.577 176.142 176.870 -0.252 0.000 1.106 666 L CA -0.718 53.971 54.840 -0.253 0.000 0.824 666 L CB 0.938 42.758 42.059 -0.398 0.000 1.142 666 L HN 0.341 nan 8.230 nan 0.000 0.443 667 V N 3.571 123.246 119.914 -0.398 0.000 2.628 667 V HA 0.445 4.566 4.120 0.000 0.000 0.306 667 V C -0.651 175.169 176.094 -0.456 0.000 1.045 667 V CA -0.528 61.626 62.300 -0.244 0.000 0.905 667 V CB 1.969 33.732 31.823 -0.101 0.000 0.997 667 V HN 0.386 nan 8.190 nan 0.000 0.436 668 F N 1.679 121.602 119.950 -0.046 0.000 2.430 668 F HA 0.543 5.070 4.527 0.000 0.000 0.362 668 F C 0.490 176.262 175.800 -0.047 0.000 1.103 668 F CA -0.261 57.693 58.000 -0.076 0.000 1.045 668 F CB 1.837 40.777 39.000 -0.100 0.000 1.276 668 F HN 0.379 nan 8.300 nan 0.000 0.444 669 S N 2.566 118.321 115.700 0.091 0.000 2.475 669 S HA 0.385 4.855 4.470 0.000 0.000 0.298 669 S C -0.178 174.414 174.600 -0.012 0.000 1.119 669 S CA -1.073 57.166 58.200 0.066 0.000 1.085 669 S CB 0.995 64.285 63.200 0.149 0.000 1.028 669 S HN 0.418 nan 8.310 nan 0.000 0.489 670 N N 1.109 119.794 118.700 -0.025 0.000 2.381 670 N HA 0.172 4.912 4.740 0.000 0.000 0.241 670 N C -0.616 174.845 175.510 -0.083 0.000 1.279 670 N CA 0.066 53.077 53.050 -0.065 0.000 0.896 670 N CB 0.430 38.885 38.487 -0.053 0.000 1.118 670 N HN 0.309 nan 8.380 nan 0.000 0.438 671 V N 2.004 121.846 119.914 -0.120 0.000 2.513 671 V HA 0.185 4.305 4.120 0.000 0.000 0.299 671 V C 0.202 176.259 176.094 -0.063 0.000 1.035 671 V CA -0.920 61.317 62.300 -0.104 0.000 0.889 671 V CB 1.523 33.247 31.823 -0.165 0.000 0.988 671 V HN 0.510 nan 8.190 nan 0.000 0.440 672 N N 5.657 124.328 118.700 -0.049 0.000 3.254 672 N HA 0.335 5.075 4.740 0.000 0.000 0.308 672 N C -0.772 174.719 175.510 -0.032 0.000 1.281 672 N CA 0.239 53.264 53.050 -0.040 0.000 1.212 672 N CB 0.018 38.480 38.487 -0.042 0.000 1.478 672 N HN 0.497 nan 8.380 nan 0.000 0.548 673 L N -0.125 121.082 121.223 -0.026 0.000 2.350 673 L HA 0.363 4.703 4.340 0.000 0.000 0.260 673 L C 1.297 178.153 176.870 -0.023 0.000 1.015 673 L CA -0.878 53.951 54.840 -0.019 0.000 0.821 673 L CB 1.791 43.846 42.059 -0.006 0.000 1.370 673 L HN -0.112 nan 8.230 nan 0.000 0.416 674 K N 0.852 121.238 120.400 -0.024 0.000 1.969 674 K HA -0.061 4.259 4.320 0.000 0.000 0.223 674 K C 0.213 176.794 176.600 -0.032 0.000 1.048 674 K CA 1.746 58.017 56.287 -0.027 0.000 0.983 674 K CB 0.116 32.600 32.500 -0.025 0.000 0.738 674 K HN 0.610 nan 8.250 nan 0.000 0.446 675 E N -1.525 118.653 120.200 -0.036 0.000 2.413 675 E HA 0.470 4.820 4.350 0.000 0.000 0.277 675 E C -1.840 174.731 176.600 -0.049 0.000 0.958 675 E CA -0.866 55.506 56.400 -0.045 0.000 0.779 675 E CB 2.139 31.805 29.700 -0.056 0.000 1.278 675 E HN -0.076 nan 8.360 nan 0.000 0.456 676 V N 3.539 123.420 119.914 -0.056 0.000 2.655 676 V HA 0.255 4.375 4.120 0.000 0.000 0.301 676 V C 0.077 176.077 176.094 -0.157 0.000 1.082 676 V CA -0.801 61.455 62.300 -0.074 0.000 0.899 676 V CB 1.545 33.386 31.823 0.030 0.000 1.014 676 V HN 0.711 nan 8.190 nan 0.000 0.429 677 N N 2.258 120.789 118.700 -0.281 0.000 2.333 677 N HA 0.165 4.905 4.740 0.000 0.000 0.183 677 N C -0.377 174.556 175.510 -0.961 0.000 1.030 677 N CA 1.124 53.813 53.050 -0.601 0.000 0.867 677 N CB 0.443 38.567 38.487 -0.605 0.000 1.027 677 N HN 0.649 nan 8.380 nan 0.000 0.435 678 Y N -0.552 119.657 120.300 -0.152 0.000 2.602 678 Y HA 0.610 5.160 4.550 0.000 0.000 0.342 678 Y C 0.198 175.917 175.900 -0.301 0.000 1.029 678 Y CA -1.089 56.880 58.100 -0.218 0.000 1.080 678 Y CB 1.954 40.260 38.460 -0.256 0.000 1.284 678 Y HN -0.170 nan 8.280 nan 0.000 0.485 679 M N 2.890 122.366 119.600 -0.208 0.000 2.523 679 M HA 0.587 5.067 4.480 0.000 0.000 0.287 679 M C -2.154 173.943 176.300 -0.338 0.000 1.160 679 M CA -0.678 54.386 55.300 -0.392 0.000 0.902 679 M CB 1.406 33.542 32.600 -0.774 0.000 1.752 679 M HN 0.972 nan 8.290 nan 0.000 0.504 680 C N 2.279 121.384 119.300 -0.324 0.000 3.086 680 C HA 0.974 5.434 4.460 0.000 0.000 0.311 680 C C -2.979 171.893 174.990 -0.197 0.000 1.260 680 C CA -1.262 57.617 59.018 -0.233 0.000 1.426 680 C CB 1.934 29.535 27.740 -0.232 0.000 1.826 680 C HN 0.729 nan 8.230 nan 0.000 0.474 681 P HA 0.553 nan 4.420 nan 0.000 0.274 681 P C -0.742 176.529 177.300 -0.048 0.000 1.246 681 P CA -0.123 62.956 63.100 -0.034 0.000 0.795 681 P CB 0.558 32.306 31.700 0.080 0.000 1.006 682 L N 1.454 122.681 121.223 0.006 0.000 2.461 682 L HA 0.630 4.970 4.340 0.000 0.000 0.242 682 L C -0.946 176.029 176.870 0.176 0.000 1.143 682 L CA -0.309 54.552 54.840 0.036 0.000 0.984 682 L CB 1.399 43.463 42.059 0.007 0.000 1.573 682 L HN 0.268 nan 8.230 nan 0.000 0.404 683 N N -0.363 118.515 118.700 0.298 0.000 2.898 683 N HA 0.077 4.817 4.740 0.000 0.000 0.203 683 N C -1.114 174.548 175.510 0.255 0.000 1.276 683 N CA 0.120 53.340 53.050 0.283 0.000 1.743 683 N CB 0.375 39.033 38.487 0.285 0.000 1.505 683 N HN 0.481 nan 8.380 nan 0.000 0.636 684 S N -0.810 115.049 115.700 0.265 0.000 2.607 684 S HA 0.217 4.687 4.470 0.000 0.000 0.272 684 S C 1.015 175.693 174.600 0.131 0.000 1.166 684 S CA -0.102 58.253 58.200 0.258 0.000 1.021 684 S CB 1.058 64.449 63.200 0.318 0.000 1.113 684 S HN 0.366 nan 8.310 nan 0.000 0.531 685 D N -0.177 120.296 120.400 0.122 0.000 2.255 685 D HA 0.063 4.703 4.640 0.000 0.000 0.224 685 D C 1.674 177.970 176.300 -0.007 0.000 0.997 685 D CA 1.035 55.062 54.000 0.045 0.000 0.906 685 D CB -0.624 40.203 40.800 0.045 0.000 1.047 685 D HN 0.606 nan 8.370 nan 0.000 0.458 686 G N -1.431 107.356 108.800 -0.023 0.000 2.712 686 G HA2 -0.058 3.902 3.960 0.000 0.000 0.212 686 G HA3 -0.058 3.902 3.960 0.000 0.000 0.212 686 G C 0.062 174.562 174.900 -0.666 0.000 1.142 686 G CA 0.229 45.125 45.100 -0.340 0.000 0.789 686 G HN 0.339 nan 8.290 nan 0.000 0.535 687 Y N 0.143 120.503 120.300 0.099 0.000 2.497 687 Y HA 0.322 4.872 4.550 0.000 0.000 0.333 687 Y C -2.447 173.533 175.900 0.134 0.000 1.046 687 Y CA -2.249 55.941 58.100 0.150 0.000 1.160 687 Y CB 0.954 39.519 38.460 0.174 0.000 1.123 687 Y HN -0.037 nan 8.280 nan 0.000 0.638 688 P HA -0.075 nan 4.420 nan 0.000 0.273 688 P C 0.128 177.526 177.300 0.163 0.000 1.258 688 P CA -0.119 63.072 63.100 0.152 0.000 0.802 688 P CB 0.605 32.359 31.700 0.090 0.000 1.040 689 D N -0.025 120.457 120.400 0.138 0.000 6.363 689 D HA -0.137 4.503 4.640 0.000 0.000 0.146 689 D C -0.214 176.162 176.300 0.127 0.000 1.113 689 D CA 1.353 55.432 54.000 0.132 0.000 0.737 689 D CB -0.095 40.775 40.800 0.116 0.000 1.417 689 D HN 0.259 nan 8.370 nan 0.000 0.812 690 S N 2.408 118.168 115.700 0.099 0.000 2.815 690 S HA 0.752 5.222 4.470 0.000 0.000 0.296 690 S C -1.808 172.779 174.600 -0.021 0.000 1.224 690 S CA -0.799 57.430 58.200 0.047 0.000 0.938 690 S CB 0.391 63.631 63.200 0.068 0.000 1.285 690 S HN 0.413 nan 8.310 nan 0.000 0.549 691 L N 1.256 122.418 121.223 -0.102 0.000 2.588 691 L HA 0.684 5.024 4.340 0.000 0.000 0.263 691 L C -0.442 176.290 176.870 -0.229 0.000 0.935 691 L CA -0.852 53.868 54.840 -0.198 0.000 0.891 691 L CB 1.748 43.633 42.059 -0.291 0.000 1.318 691 L HN 0.784 nan 8.230 nan 0.000 0.409 692 A N 3.607 126.285 122.820 -0.238 0.000 2.327 692 A HA 0.853 5.173 4.320 0.000 0.000 0.283 692 A C -0.820 176.590 177.584 -0.290 0.000 1.127 692 A CA -0.172 51.723 52.037 -0.236 0.000 0.810 692 A CB 0.676 19.552 19.000 -0.207 0.000 1.066 692 A HN 0.570 nan 8.150 nan 0.000 0.492 693 L N 1.711 122.783 121.223 -0.252 0.000 2.446 693 L HA 0.551 4.891 4.340 0.000 0.000 0.268 693 L C 0.274 177.039 176.870 -0.175 0.000 0.975 693 L CA 0.085 54.771 54.840 -0.258 0.000 0.848 693 L CB 1.838 43.734 42.059 -0.271 0.000 1.225 693 L HN 0.782 nan 8.230 nan 0.000 0.410 694 A N 4.023 126.757 122.820 -0.143 0.000 2.302 694 A HA 0.645 4.965 4.320 0.000 0.000 0.295 694 A C -0.157 177.372 177.584 -0.092 0.000 1.235 694 A CA -0.485 51.512 52.037 -0.067 0.000 0.876 694 A CB -0.095 18.940 19.000 0.059 0.000 1.133 694 A HN 0.747 nan 8.150 nan 0.000 0.533 695 N N 2.308 120.961 118.700 -0.079 0.000 2.815 695 N HA 0.139 4.879 4.740 0.000 0.000 0.315 695 N C 0.674 176.141 175.510 -0.071 0.000 1.320 695 N CA -0.820 52.179 53.050 -0.086 0.000 0.846 695 N CB 0.223 38.666 38.487 -0.074 0.000 1.344 695 N HN 0.386 nan 8.380 nan 0.000 0.593 696 N N 0.455 119.113 118.700 -0.069 0.000 2.139 696 N HA -0.269 4.472 4.740 0.000 0.000 0.193 696 N C 0.267 175.747 175.510 -0.049 0.000 0.975 696 N CA 2.975 55.991 53.050 -0.058 0.000 0.893 696 N CB -0.482 37.978 38.487 -0.045 0.000 1.073 696 N HN 0.753 nan 8.380 nan 0.000 0.661 697 S N -2.289 113.390 115.700 -0.035 0.000 2.598 697 S HA 0.468 4.938 4.470 0.000 0.000 0.209 697 S C -0.615 173.979 174.600 -0.009 0.000 1.029 697 S CA -0.680 57.506 58.200 -0.024 0.000 1.172 697 S CB 0.272 63.466 63.200 -0.011 0.000 1.427 697 S HN 0.242 nan 8.310 nan 0.000 0.418 698 T N 1.552 116.095 114.554 -0.019 0.000 2.681 698 T HA 0.786 5.136 4.350 0.000 0.000 0.296 698 T C -1.461 173.222 174.700 -0.029 0.000 1.157 698 T CA -0.749 61.342 62.100 -0.015 0.000 1.025 698 T CB 1.537 70.392 68.868 -0.022 0.000 1.441 698 T HN 0.682 nan 8.240 nan 0.000 0.504 699 L N 0.147 121.348 121.223 -0.038 0.000 2.359 699 L HA 0.964 5.304 4.340 0.000 0.000 0.256 699 L C -1.433 175.381 176.870 -0.094 0.000 1.026 699 L CA -0.105 54.695 54.840 -0.067 0.000 0.828 699 L CB 2.341 44.365 42.059 -0.059 0.000 1.406 699 L HN 0.850 nan 8.230 nan 0.000 0.413 700 T N 2.532 117.006 114.554 -0.134 0.000 2.840 700 T HA 0.760 5.110 4.350 0.000 0.000 0.317 700 T C -1.252 173.315 174.700 -0.222 0.000 1.401 700 T CA -0.495 61.507 62.100 -0.163 0.000 1.028 700 T CB 1.572 70.359 68.868 -0.134 0.000 1.317 700 T HN 0.841 nan 8.240 nan 0.000 0.495 701 I N -1.201 119.204 120.570 -0.274 0.000 2.722 701 I HA 0.903 5.073 4.170 0.000 0.000 0.292 701 I C -0.214 175.638 176.117 -0.442 0.000 1.267 701 I CA -0.683 60.427 61.300 -0.316 0.000 1.036 701 I CB 1.291 39.068 38.000 -0.371 0.000 1.281 701 I HN 1.109 nan 8.210 nan 0.000 0.423 702 G N 2.889 111.451 108.800 -0.396 0.000 2.441 702 G HA2 0.566 4.526 3.960 0.000 0.000 0.294 702 G HA3 0.566 4.526 3.960 0.000 0.000 0.294 702 G C -0.851 173.946 174.900 -0.171 0.000 1.393 702 G CA 0.053 44.846 45.100 -0.511 0.000 0.796 702 G HN 0.968 nan 8.290 nan 0.000 0.494 703 T N -1.858 112.690 114.554 -0.009 0.000 2.852 703 T HA 0.779 5.129 4.350 0.000 0.000 0.281 703 T C 0.113 174.770 174.700 -0.072 0.000 0.993 703 T CA -0.717 61.410 62.100 0.044 0.000 0.933 703 T CB 1.633 70.616 68.868 0.192 0.000 1.187 703 T HN 0.919 nan 8.240 nan 0.000 0.559 704 I N 0.195 120.745 120.570 -0.033 0.000 2.730 704 I HA 0.404 4.574 4.170 0.000 0.000 0.298 704 I C -0.827 175.283 176.117 -0.013 0.000 1.089 704 I CA -0.726 60.531 61.300 -0.071 0.000 1.041 704 I CB 2.361 40.337 38.000 -0.039 0.000 1.235 704 I HN 0.742 nan 8.210 nan 0.000 0.423 705 D N 3.678 124.052 120.400 -0.043 0.000 2.372 705 D HA 0.066 4.706 4.640 0.000 0.000 0.243 705 D C 0.711 177.078 176.300 0.112 0.000 1.297 705 D CA 0.146 54.153 54.000 0.013 0.000 0.958 705 D CB 0.729 41.498 40.800 -0.052 0.000 1.114 705 D HN 0.568 nan 8.370 nan 0.000 0.496 706 E N -0.643 119.649 120.200 0.154 0.000 2.407 706 E HA -0.111 4.239 4.350 0.000 0.000 0.321 706 E C 0.887 177.546 176.600 0.100 0.000 0.845 706 E CA 1.902 58.373 56.400 0.118 0.000 1.789 706 E CB 0.030 29.792 29.700 0.104 0.000 0.811 706 E HN 0.473 nan 8.360 nan 0.000 0.585 707 I N -2.344 118.228 120.570 0.003 0.000 3.295 707 I HA -0.024 4.146 4.170 0.000 0.000 0.269 707 I C -0.459 175.480 176.117 -0.296 0.000 1.032 707 I CA -0.234 60.944 61.300 -0.204 0.000 1.577 707 I CB -0.413 37.275 38.000 -0.520 0.000 1.927 707 I HN 0.283 nan 8.210 nan 0.000 0.361 708 Q N 2.895 122.526 119.800 -0.283 0.000 2.445 708 Q HA -0.222 4.118 4.340 0.000 0.000 0.356 708 Q C 0.774 176.737 176.000 -0.062 0.000 1.335 708 Q CA 0.850 56.538 55.803 -0.193 0.000 1.049 708 Q CB 0.415 29.083 28.738 -0.117 0.000 1.273 708 Q HN 0.254 nan 8.270 nan 0.000 0.450 709 K N -0.297 120.080 120.400 -0.037 0.000 2.057 709 K HA -0.131 4.189 4.320 0.000 0.000 0.207 709 K C 0.012 176.626 176.600 0.023 0.000 1.049 709 K CA 0.909 57.204 56.287 0.012 0.000 0.931 709 K CB 0.177 32.687 32.500 0.017 0.000 0.714 709 K HN 0.397 nan 8.250 nan 0.000 0.440 710 L N 1.004 122.234 121.223 0.013 0.000 2.295 710 L HA 0.211 4.552 4.340 0.000 0.000 0.285 710 L C -0.556 176.340 176.870 0.044 0.000 1.035 710 L CA -0.383 54.474 54.840 0.028 0.000 0.806 710 L CB 0.899 42.962 42.059 0.006 0.000 1.214 710 L HN 0.148 nan 8.230 nan 0.000 0.426 711 H N 3.514 122.570 119.070 -0.023 0.000 2.527 711 H HA 0.641 5.197 4.556 -0.000 0.000 0.321 711 H C -0.863 174.443 175.328 -0.036 0.000 1.087 711 H CA -0.086 55.947 56.048 -0.024 0.000 1.337 711 H CB 0.716 30.471 29.762 -0.011 0.000 1.440 711 H HN 0.481 nan 8.280 nan 0.000 0.490 712 I N 5.996 126.263 120.570 -0.504 0.000 2.478 712 I HA 0.260 4.431 4.170 0.000 0.000 0.287 712 I C 0.930 176.820 176.117 -0.377 0.000 1.042 712 I CA -0.846 60.255 61.300 -0.331 0.000 1.067 712 I CB 1.864 39.741 38.000 -0.205 0.000 1.233 712 I HN 0.588 nan 8.210 nan 0.000 0.431 713 R N 2.599 122.938 120.500 -0.268 0.000 2.051 713 R HA 0.114 4.454 4.340 0.000 0.000 0.225 713 R C -0.254 175.908 176.300 -0.230 0.000 1.155 713 R CA 1.358 57.317 56.100 -0.235 0.000 0.945 713 R CB 0.145 30.302 30.300 -0.237 0.000 0.840 713 R HN 0.835 nan 8.270 nan 0.000 0.432 714 T N -0.148 114.252 114.554 -0.257 0.000 1.531 714 T HA -0.085 4.265 4.350 0.000 0.000 0.660 714 T C -0.776 173.785 174.700 -0.232 0.000 0.951 714 T CA 0.077 62.042 62.100 -0.224 0.000 3.499 714 T CB -1.015 67.753 68.868 -0.167 0.000 2.021 714 T HN 0.050 nan 8.240 nan 0.000 0.423 715 V N 5.351 125.109 119.914 -0.259 0.000 2.284 715 V HA 0.380 4.500 4.120 0.000 0.000 0.274 715 V C -1.930 174.038 176.094 -0.210 0.000 1.023 715 V CA -1.796 60.376 62.300 -0.214 0.000 0.808 715 V CB 1.285 32.970 31.823 -0.230 0.000 1.035 715 V HN 0.558 nan 8.190 nan 0.000 0.445 716 P HA 0.223 nan 4.420 nan 0.000 0.267 716 P C 0.389 177.376 177.300 -0.522 0.000 1.200 716 P CA 0.226 63.085 63.100 -0.400 0.000 0.772 716 P CB 0.946 32.411 31.700 -0.392 0.000 0.855 717 L N 1.249 122.077 121.223 -0.658 0.000 2.902 717 L HA 0.185 4.525 4.340 0.000 0.000 0.254 717 L C 0.219 176.826 176.870 -0.438 0.000 1.115 717 L CA -0.072 54.494 54.840 -0.456 0.000 0.947 717 L CB -0.234 41.681 42.059 -0.241 0.000 1.369 717 L HN 0.348 nan 8.230 nan 0.000 0.538 718 Y N 0.582 120.859 120.300 -0.039 0.000 4.538 718 Y HA -0.323 4.227 4.550 0.000 0.000 0.225 718 Y C 0.454 176.342 175.900 -0.019 0.000 1.074 718 Y CA 0.742 58.828 58.100 -0.023 0.000 1.942 718 Y CB -2.531 35.917 38.460 -0.021 0.000 1.618 718 Y HN 0.520 nan 8.280 nan 0.000 0.642 719 E N -2.192 117.995 120.200 -0.022 0.000 2.437 719 E HA 0.654 5.004 4.350 0.000 0.000 0.280 719 E C -1.018 175.502 176.600 -0.133 0.000 1.044 719 E CA -1.090 55.287 56.400 -0.038 0.000 0.826 719 E CB 1.202 30.879 29.700 -0.039 0.000 1.358 719 E HN -0.090 nan 8.360 nan 0.000 0.459 720 S N 2.819 118.401 115.700 -0.196 0.000 2.437 720 S HA 0.197 4.667 4.470 0.000 0.000 0.304 720 S C -2.089 172.371 174.600 -0.233 0.000 1.167 720 S CA -0.716 57.311 58.200 -0.289 0.000 1.106 720 S CB -0.235 62.719 63.200 -0.410 0.000 1.099 720 S HN 0.288 nan 8.310 nan 0.000 0.524 721 P HA 0.350 nan 4.420 nan 0.000 0.280 721 P C -0.137 177.081 177.300 -0.136 0.000 1.244 721 P CA -0.524 62.484 63.100 -0.154 0.000 0.784 721 P CB 1.331 32.950 31.700 -0.136 0.000 0.913 722 R N 1.156 121.591 120.500 -0.107 0.000 2.383 722 R HA 0.252 4.592 4.340 0.000 0.000 0.205 722 R C 0.444 176.733 176.300 -0.018 0.000 0.875 722 R CA 0.274 56.333 56.100 -0.068 0.000 1.039 722 R CB 0.439 30.696 30.300 -0.073 0.000 1.267 722 R HN 0.371 nan 8.270 nan 0.000 0.635 723 K N 0.560 120.952 120.400 -0.013 0.000 2.512 723 K HA 0.461 4.781 4.320 0.000 0.000 0.263 723 K C -1.567 175.043 176.600 0.017 0.000 0.966 723 K CA -0.705 55.594 56.287 0.020 0.000 0.851 723 K CB 2.854 35.380 32.500 0.043 0.000 1.395 723 K HN -0.061 nan 8.250 nan 0.000 0.440 724 I N -0.097 120.504 120.570 0.052 0.000 2.692 724 I HA 0.443 4.613 4.170 0.000 0.000 0.293 724 I C -1.704 174.511 176.117 0.163 0.000 1.200 724 I CA -0.302 61.049 61.300 0.085 0.000 1.036 724 I CB 1.466 39.500 38.000 0.056 0.000 1.258 724 I HN 0.608 nan 8.210 nan 0.000 0.421 725 C N 5.665 125.098 119.300 0.222 0.000 2.698 725 C HA 0.464 4.924 4.460 0.000 0.000 0.309 725 C C -1.016 174.227 174.990 0.421 0.000 1.186 725 C CA -0.593 58.602 59.018 0.296 0.000 1.474 725 C CB 1.553 29.444 27.740 0.251 0.000 2.020 725 C HN 0.659 nan 8.230 nan 0.000 0.474 726 Y N 2.569 122.988 120.300 0.199 0.000 2.327 726 Y HA 0.470 5.020 4.550 -0.000 0.000 0.336 726 Y C 0.156 176.018 175.900 -0.065 0.000 1.035 726 Y CA -0.006 58.024 58.100 -0.116 0.000 1.165 726 Y CB 0.668 38.993 38.460 -0.226 0.000 1.181 726 Y HN 0.732 nan 8.280 nan 0.000 0.494 727 Q N 5.605 125.056 119.800 -0.582 0.000 2.425 727 Q HA 0.225 4.565 4.340 0.000 0.000 0.254 727 Q C 0.252 175.633 176.000 -1.030 0.000 1.032 727 Q CA -0.361 55.049 55.803 -0.655 0.000 0.798 727 Q CB 0.856 29.321 28.738 -0.455 0.000 1.210 727 Q HN 0.896 nan 8.270 nan 0.000 0.491 728 E N 2.098 121.622 120.200 -1.125 0.000 2.077 728 E HA -0.200 4.151 4.350 0.000 0.000 0.193 728 E C 1.560 177.944 176.600 -0.360 0.000 0.989 728 E CA 1.713 57.646 56.400 -0.778 0.000 0.800 728 E CB -0.204 29.292 29.700 -0.340 0.000 0.746 728 E HN 0.613 nan 8.360 nan 0.000 0.452 729 V N -0.126 119.607 119.914 -0.302 0.000 2.515 729 V HA -0.157 3.963 4.120 0.000 0.000 0.250 729 V C 2.028 178.021 176.094 -0.167 0.000 1.058 729 V CA 1.787 63.970 62.300 -0.194 0.000 1.064 729 V CB -0.355 31.354 31.823 -0.189 0.000 0.675 729 V HN 0.079 nan 8.190 nan 0.000 0.461 730 S N -1.342 114.235 115.700 -0.205 0.000 2.501 730 S HA 0.048 4.518 4.470 0.000 0.000 0.220 730 S C 0.801 175.362 174.600 -0.066 0.000 0.997 730 S CA 0.224 58.373 58.200 -0.084 0.000 0.919 730 S CB -0.271 62.920 63.200 -0.016 0.000 0.778 730 S HN 0.702 nan 8.310 nan 0.000 0.523 731 Q N 0.123 119.820 119.800 -0.172 0.000 2.451 731 Q HA -0.188 4.152 4.340 0.000 0.000 0.305 731 Q C -0.229 175.698 176.000 -0.121 0.000 1.345 731 Q CA 0.921 56.652 55.803 -0.120 0.000 0.854 731 Q CB -2.396 26.331 28.738 -0.018 0.000 1.162 731 Q HN 0.815 nan 8.270 nan 0.000 0.440 732 C N -3.516 115.679 119.300 -0.176 0.000 3.320 732 C HA 0.835 5.295 4.460 0.000 0.000 0.335 732 C C -0.634 174.271 174.990 -0.142 0.000 1.430 732 C CA -1.299 57.647 59.018 -0.120 0.000 1.271 732 C CB 1.465 29.189 27.740 -0.027 0.000 1.609 732 C HN 0.193 nan 8.230 nan 0.000 0.457 733 F N 1.079 121.061 119.950 0.052 0.000 2.443 733 F HA 0.635 5.162 4.527 0.000 0.000 0.335 733 F C 1.096 176.871 175.800 -0.041 0.000 1.104 733 F CA 0.385 58.444 58.000 0.098 0.000 1.013 733 F CB 1.824 40.875 39.000 0.085 0.000 1.136 733 F HN 1.031 nan 8.300 nan 0.000 0.470 734 G N 1.962 110.792 108.800 0.050 0.000 2.325 734 G HA2 0.539 4.499 3.960 0.000 0.000 0.298 734 G HA3 0.539 4.499 3.960 0.000 0.000 0.298 734 G C -1.447 173.362 174.900 -0.151 0.000 1.134 734 G CA -0.411 44.456 45.100 -0.390 0.000 0.876 734 G HN 0.502 nan 8.290 nan 0.000 0.452 735 V N 3.725 123.545 119.914 -0.157 0.000 2.686 735 V HA 0.341 4.461 4.120 0.000 0.000 0.306 735 V C -0.128 175.910 176.094 -0.093 0.000 1.065 735 V CA -0.699 61.551 62.300 -0.084 0.000 0.894 735 V CB 1.965 33.755 31.823 -0.056 0.000 1.004 735 V HN 0.649 nan 8.190 nan 0.000 0.424 736 L N 4.877 126.063 121.223 -0.061 0.000 2.265 736 L HA 0.627 4.967 4.340 0.000 0.000 0.288 736 L C 0.363 177.184 176.870 -0.081 0.000 1.058 736 L CA 0.203 55.022 54.840 -0.035 0.000 0.809 736 L CB 1.589 43.648 42.059 0.000 0.000 1.179 736 L HN 0.875 nan 8.230 nan 0.000 0.429 737 S N 1.650 117.287 115.700 -0.104 0.000 2.667 737 S HA 0.755 5.225 4.470 0.000 0.000 0.292 737 S C -0.643 173.778 174.600 -0.298 0.000 1.126 737 S CA -0.769 57.324 58.200 -0.179 0.000 0.881 737 S CB 2.206 65.322 63.200 -0.141 0.000 1.132 737 S HN 0.492 nan 8.310 nan 0.000 0.492 738 S N 0.261 115.748 115.700 -0.356 0.000 2.547 738 S HA 0.735 5.205 4.470 0.000 0.000 0.281 738 S C -0.887 173.570 174.600 -0.238 0.000 1.118 738 S CA -0.938 56.973 58.200 -0.482 0.000 0.947 738 S CB 1.187 63.956 63.200 -0.719 0.000 1.053 738 S HN 1.113 nan 8.310 nan 0.000 0.482 739 R N 3.289 123.700 120.500 -0.150 0.000 2.750 739 R HA 0.709 5.049 4.340 0.000 0.000 0.281 739 R C -1.143 175.156 176.300 -0.000 0.000 0.972 739 R CA -0.949 55.124 56.100 -0.045 0.000 0.912 739 R CB 1.044 31.329 30.300 -0.025 0.000 1.187 739 R HN 0.598 nan 8.270 nan 0.000 0.464 740 I N 1.867 122.468 120.570 0.052 0.000 2.440 740 I HA 0.248 4.418 4.170 0.000 0.000 0.294 740 I C -0.091 176.050 176.117 0.040 0.000 0.995 740 I CA -0.437 60.899 61.300 0.061 0.000 1.306 740 I CB 1.638 39.690 38.000 0.086 0.000 1.407 740 I HN 0.662 nan 8.210 nan 0.000 0.501 741 E N 4.681 124.905 120.200 0.039 0.000 2.340 741 E HA 0.455 4.805 4.350 0.000 0.000 0.273 741 E C -1.088 175.531 176.600 0.032 0.000 0.891 741 E CA -0.765 55.654 56.400 0.031 0.000 0.757 741 E CB 2.932 32.649 29.700 0.029 0.000 1.231 741 E HN 0.397 nan 8.360 nan 0.000 0.439 742 V N -0.746 119.183 119.914 0.024 0.000 3.234 742 V HA 0.353 4.473 4.120 0.000 0.000 0.317 742 V C 0.231 176.339 176.094 0.024 0.000 1.081 742 V CA -0.939 61.375 62.300 0.023 0.000 1.037 742 V CB 1.338 33.170 31.823 0.014 0.000 1.148 742 V HN 0.742 nan 8.190 nan 0.000 0.453 743 Q N 0.408 120.222 119.800 0.023 0.000 2.330 743 Q HA 0.118 4.458 4.340 0.000 0.000 0.279 743 Q C -0.609 175.402 176.000 0.018 0.000 1.024 743 Q CA 0.299 56.116 55.803 0.023 0.000 0.900 743 Q CB 0.576 29.326 28.738 0.020 0.000 1.221 743 Q HN 0.939 nan 8.270 nan 0.000 0.396 744 D N 0.112 120.523 120.400 0.018 0.000 2.388 744 D HA 0.079 4.719 4.640 0.000 0.000 0.254 744 D C 1.107 177.415 176.300 0.013 0.000 1.111 744 D CA 0.223 54.231 54.000 0.015 0.000 0.993 744 D CB 1.202 42.011 40.800 0.016 0.000 1.118 744 D HN 0.665 nan 8.370 nan 0.000 0.502 745 T N -2.277 112.283 114.554 0.010 0.000 2.788 745 T HA -0.163 4.187 4.350 0.000 0.000 0.268 745 T C 1.592 176.298 174.700 0.010 0.000 1.044 745 T CA 0.945 63.050 62.100 0.009 0.000 1.139 745 T CB -0.207 68.665 68.868 0.007 0.000 0.867 745 T HN 0.133 nan 8.240 nan 0.000 0.454 746 S N 0.130 115.837 115.700 0.011 0.000 2.582 746 S HA 0.477 4.947 4.470 0.000 0.000 0.249 746 S C 1.619 176.229 174.600 0.016 0.000 1.072 746 S CA 0.223 58.431 58.200 0.013 0.000 1.115 746 S CB -1.318 61.890 63.200 0.012 0.000 0.790 746 S HN 1.013 nan 8.310 nan 0.000 0.459 747 G N 0.527 109.337 108.800 0.017 0.000 2.270 747 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 747 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 747 G C 0.665 175.580 174.900 0.025 0.000 0.982 747 G CA 0.310 45.422 45.100 0.021 0.000 0.628 747 G HN 0.941 nan 8.290 nan 0.000 0.544 748 G N -0.640 108.174 108.800 0.023 0.000 2.570 748 G HA2 0.613 4.573 3.960 0.000 0.000 0.276 748 G HA3 0.613 4.573 3.960 0.000 0.000 0.276 748 G C 0.337 175.254 174.900 0.027 0.000 1.346 748 G CA 1.071 46.187 45.100 0.026 0.000 1.034 748 G HN 1.527 nan 8.290 nan 0.000 0.512 749 T N -4.283 110.288 114.554 0.028 0.000 2.893 749 T HA 0.629 4.979 4.350 0.000 0.000 0.293 749 T C 0.543 175.256 174.700 0.021 0.000 1.027 749 T CA 0.137 62.254 62.100 0.027 0.000 0.988 749 T CB 1.953 70.843 68.868 0.036 0.000 1.043 749 T HN 0.722 nan 8.240 nan 0.000 0.461 750 T N -0.447 114.117 114.554 0.017 0.000 3.330 750 T HA 0.736 5.086 4.350 0.000 0.000 0.240 750 T C 0.734 175.440 174.700 0.009 0.000 0.988 750 T CA 0.172 62.278 62.100 0.011 0.000 1.253 750 T CB -0.274 68.599 68.868 0.008 0.000 1.163 750 T HN 2.146 nan 8.240 nan 0.000 0.382 751 A N -0.034 122.791 122.820 0.009 0.000 2.078 751 A HA 0.328 4.648 4.320 0.000 0.000 0.568 751 A C -0.026 177.560 177.584 0.003 0.000 0.224 751 A CA -0.527 51.514 52.037 0.008 0.000 0.259 751 A CB -1.012 17.991 19.000 0.004 0.000 3.233 751 A HN 0.340 nan 8.150 nan 0.000 0.482 752 L N 1.757 122.983 121.223 0.006 0.000 2.395 752 L HA 0.224 4.564 4.340 0.000 0.000 0.218 752 L C 1.345 178.209 176.870 -0.011 0.000 1.130 752 L CA 2.104 56.944 54.840 -0.002 0.000 0.826 752 L CB -0.280 41.779 42.059 -0.000 0.000 0.941 752 L HN 0.893 nan 8.230 nan 0.000 0.451 753 R N -2.434 118.059 120.500 -0.010 0.000 2.728 753 R HA 0.396 4.736 4.340 0.000 0.000 0.274 753 R C -3.019 173.266 176.300 -0.025 0.000 1.032 753 R CA -1.475 54.606 56.100 -0.031 0.000 0.866 753 R CB 0.075 30.351 30.300 -0.040 0.000 1.263 753 R HN -0.358 nan 8.270 nan 0.000 0.475 754 P HA 0.235 nan 4.420 nan 0.000 0.276 754 P C -1.062 176.245 177.300 0.012 0.000 1.243 754 P CA -0.179 62.899 63.100 -0.036 0.000 0.768 754 P CB 1.283 32.940 31.700 -0.073 0.000 0.856 755 S N 1.482 117.211 115.700 0.048 0.000 2.664 755 S HA 0.545 5.015 4.470 0.000 0.000 0.304 755 S C 1.397 176.047 174.600 0.084 0.000 1.099 755 S CA -0.348 57.915 58.200 0.105 0.000 1.003 755 S CB 1.669 64.901 63.200 0.052 0.000 1.092 755 S HN 0.433 nan 8.310 nan 0.000 0.525 756 A N 1.567 124.439 122.820 0.088 0.000 1.997 756 A HA -0.155 4.165 4.320 0.000 0.000 0.221 756 A C 2.088 179.665 177.584 -0.012 0.000 1.172 756 A CA 2.235 54.293 52.037 0.034 0.000 0.645 756 A CB -1.140 17.855 19.000 -0.009 0.000 0.813 756 A HN 0.966 nan 8.150 nan 0.000 0.454 757 S N -1.483 114.199 115.700 -0.030 0.000 2.558 757 S HA -0.033 4.437 4.470 0.000 0.000 0.217 757 S C 1.564 176.127 174.600 -0.061 0.000 0.975 757 S CA 1.289 59.450 58.200 -0.065 0.000 0.912 757 S CB -0.598 62.554 63.200 -0.080 0.000 0.776 757 S HN 0.810 nan 8.310 nan 0.000 0.526 758 T N -1.643 112.893 114.554 -0.031 0.000 3.014 758 T HA 0.251 4.601 4.350 0.000 0.000 0.250 758 T C 1.367 176.056 174.700 -0.018 0.000 1.060 758 T CA -0.090 61.993 62.100 -0.027 0.000 1.040 758 T CB -0.194 68.666 68.868 -0.014 0.000 0.971 758 T HN 0.374 nan 8.240 nan 0.000 0.497 759 Q N 0.691 120.487 119.800 -0.006 0.000 2.179 759 Q HA 0.550 4.890 4.340 0.000 0.000 0.213 759 Q C 0.288 176.291 176.000 0.006 0.000 0.833 759 Q CA -0.480 55.326 55.803 0.005 0.000 0.990 759 Q CB 0.969 29.720 28.738 0.022 0.000 1.132 759 Q HN 0.656 nan 8.270 nan 0.000 0.493 760 A N 0.471 123.283 122.820 -0.013 0.000 2.425 760 A HA 0.151 4.471 4.320 0.000 0.000 0.249 760 A C 1.038 178.625 177.584 0.005 0.000 1.084 760 A CA -0.154 51.873 52.037 -0.016 0.000 0.781 760 A CB 0.349 19.307 19.000 -0.070 0.000 1.019 760 A HN 0.414 nan 8.150 nan 0.000 0.490 761 L N 1.370 122.613 121.223 0.035 0.000 2.017 761 L HA -0.102 4.238 4.340 0.000 0.000 0.208 761 L C 0.973 177.889 176.870 0.077 0.000 1.073 761 L CA 1.309 56.183 54.840 0.057 0.000 0.745 761 L CB -0.468 41.634 42.059 0.072 0.000 0.894 761 L HN 0.698 nan 8.230 nan 0.000 0.432 762 S N -1.082 114.695 115.700 0.127 0.000 2.568 762 S HA 0.621 5.091 4.470 0.000 0.000 0.302 762 S C -0.327 174.349 174.600 0.127 0.000 1.082 762 S CA -0.720 57.603 58.200 0.205 0.000 1.009 762 S CB 2.111 65.518 63.200 0.344 0.000 1.069 762 S HN 0.309 nan 8.310 nan 0.000 0.500 763 S N 0.320 116.071 115.700 0.085 0.000 2.651 763 S HA 0.928 5.398 4.470 0.000 0.000 0.279 763 S C -0.828 173.810 174.600 0.062 0.000 1.148 763 S CA -0.438 57.658 58.200 -0.174 0.000 0.837 763 S CB 1.622 64.749 63.200 -0.122 0.000 1.138 763 S HN 1.506 nan 8.310 nan 0.000 0.478 764 S N -0.242 115.437 115.700 -0.036 0.000 2.595 764 S HA 0.752 5.222 4.470 0.000 0.000 0.270 764 S C -1.536 173.064 174.600 0.000 0.000 1.145 764 S CA -0.615 57.678 58.200 0.155 0.000 0.825 764 S CB 0.821 64.301 63.200 0.467 0.000 1.107 764 S HN 1.358 nan 8.310 nan 0.000 0.461 765 V N 0.558 120.484 119.914 0.020 0.000 3.160 765 V HA 0.699 4.819 4.120 0.000 0.000 0.310 765 V C -0.133 175.953 176.094 -0.014 0.000 1.181 765 V CA -0.919 61.295 62.300 -0.144 0.000 1.047 765 V CB 2.233 34.025 31.823 -0.051 0.000 1.068 765 V HN 0.963 nan 8.190 nan 0.000 0.441 766 S N 0.977 116.647 115.700 -0.049 0.000 2.411 766 S HA 0.228 4.698 4.470 0.000 0.000 0.294 766 S C 0.672 175.359 174.600 0.145 0.000 1.115 766 S CA -0.268 58.025 58.200 0.155 0.000 1.071 766 S CB 0.900 64.221 63.200 0.203 0.000 0.967 766 S HN 0.722 nan 8.310 nan 0.000 0.488 767 S N 2.453 118.247 115.700 0.157 0.000 2.618 767 S HA 0.117 4.587 4.470 0.000 0.000 0.242 767 S C 0.642 175.298 174.600 0.094 0.000 0.972 767 S CA -0.308 57.957 58.200 0.108 0.000 1.004 767 S CB 0.086 63.343 63.200 0.095 0.000 0.778 767 S HN 0.649 nan 8.310 nan 0.000 0.459 768 S N 1.565 117.334 115.700 0.115 0.000 2.580 768 S HA 0.325 4.795 4.470 0.000 0.000 0.274 768 S C 0.595 175.234 174.600 0.066 0.000 1.329 768 S CA -0.281 57.969 58.200 0.084 0.000 1.036 768 S CB 0.477 63.745 63.200 0.113 0.000 0.919 768 S HN 0.178 nan 8.310 nan 0.000 0.515 769 K N 3.758 124.167 120.400 0.015 0.000 2.619 769 K HA 0.269 4.589 4.320 0.000 0.000 0.201 769 K C 0.786 177.357 176.600 -0.048 0.000 1.090 769 K CA -0.072 56.219 56.287 0.006 0.000 1.063 769 K CB 0.059 32.563 32.500 0.007 0.000 0.810 769 K HN 0.601 nan 8.250 nan 0.000 0.506 770 L N -0.248 120.893 121.223 -0.136 0.000 1.932 770 L HA 0.076 4.416 4.340 0.000 0.000 0.213 770 L C 0.513 177.239 176.870 -0.240 0.000 1.108 770 L CA 1.055 55.704 54.840 -0.318 0.000 0.778 770 L CB -0.333 41.309 42.059 -0.696 0.000 0.891 770 L HN 0.075 nan 8.230 nan 0.000 0.436 771 F N 1.372 121.352 119.950 0.050 0.000 2.526 771 F HA 0.003 4.530 4.527 -0.000 0.000 0.327 771 F C 0.200 176.035 175.800 0.059 0.000 1.271 771 F CA -0.172 57.864 58.000 0.058 0.000 0.992 771 F CB -0.857 38.190 39.000 0.079 0.000 1.284 771 F HN 0.060 nan 8.300 nan 0.000 0.635 772 S N 0.738 116.527 115.700 0.149 0.000 2.423 772 S HA 0.654 5.124 4.470 0.000 0.000 0.213 772 S C -0.495 174.145 174.600 0.067 0.000 1.131 772 S CA -0.661 57.600 58.200 0.102 0.000 1.155 772 S CB 0.940 64.182 63.200 0.070 0.000 1.202 772 S HN 0.510 nan 8.310 nan 0.000 0.441 784 E N 0.699 120.910 120.200 0.018 0.000 2.278 784 E HA 0.279 4.629 4.350 0.000 0.000 0.272 784 E C -0.905 175.714 176.600 0.032 0.000 0.890 784 E CA -0.631 55.785 56.400 0.026 0.000 0.770 784 E CB 2.610 32.328 29.700 0.031 0.000 1.212 784 E HN 0.353 nan 8.360 nan 0.000 0.415 785 E N 1.478 121.701 120.200 0.038 0.000 2.231 785 E HA 0.556 4.906 4.350 0.000 0.000 0.277 785 E C -1.250 175.393 176.600 0.071 0.000 0.999 785 E CA -0.693 55.736 56.400 0.048 0.000 0.827 785 E CB 2.326 32.050 29.700 0.041 0.000 1.101 785 E HN 0.052 nan 8.360 nan 0.000 0.393 786 V N 2.828 122.788 119.914 0.077 0.000 2.932 786 V HA 0.146 4.266 4.120 0.000 0.000 0.307 786 V C -1.344 174.807 176.094 0.096 0.000 1.147 786 V CA -0.659 61.701 62.300 0.100 0.000 0.951 786 V CB 2.340 34.217 31.823 0.089 0.000 1.031 786 V HN 0.643 nan 8.190 nan 0.000 0.426 787 E N 3.473 123.744 120.200 0.118 0.000 2.115 787 E HA 0.436 4.786 4.350 0.000 0.000 0.282 787 E C -1.023 175.625 176.600 0.080 0.000 0.987 787 E CA -0.376 56.056 56.400 0.052 0.000 0.797 787 E CB 1.990 31.651 29.700 -0.066 0.000 1.086 787 E HN 0.420 nan 8.360 nan 0.000 0.397 788 V N 4.472 124.418 119.914 0.052 0.000 2.465 788 V HA 0.138 4.258 4.120 0.000 0.000 0.279 788 V C 0.083 176.221 176.094 0.074 0.000 1.045 788 V CA -0.416 61.929 62.300 0.076 0.000 0.938 788 V CB 0.779 32.623 31.823 0.035 0.000 0.986 788 V HN 0.662 nan 8.190 nan 0.000 0.467 789 H N 4.207 123.254 119.070 -0.038 0.000 2.492 789 H HA 0.530 5.086 4.556 -0.000 0.000 0.345 789 H C -0.731 174.704 175.328 0.179 0.000 1.136 789 H CA -0.734 55.322 56.048 0.013 0.000 1.202 789 H CB 1.996 31.750 29.762 -0.013 0.000 1.524 789 H HN 0.644 nan 8.280 nan 0.000 0.506 790 N N 1.713 120.531 118.700 0.197 0.000 2.455 790 N HA 0.195 4.935 4.740 0.000 0.000 0.278 790 N C -1.436 174.132 175.510 0.097 0.000 1.291 790 N CA -0.791 52.293 53.050 0.057 0.000 0.780 790 N CB 2.986 41.424 38.487 -0.080 0.000 1.520 790 N HN 0.266 nan 8.380 nan 0.000 0.486 791 L N 1.581 122.758 121.223 -0.077 0.000 2.316 791 L HA 0.500 4.840 4.340 0.000 0.000 0.280 791 L C -1.185 175.564 176.870 -0.202 0.000 1.006 791 L CA -0.391 54.377 54.840 -0.120 0.000 0.836 791 L CB 0.504 42.419 42.059 -0.240 0.000 1.221 791 L HN 0.397 nan 8.230 nan 0.000 0.418 792 L N 5.408 126.527 121.223 -0.173 0.000 2.350 792 L HA 0.431 4.771 4.340 0.000 0.000 0.275 792 L C -0.343 176.412 176.870 -0.193 0.000 1.099 792 L CA -0.560 54.185 54.840 -0.158 0.000 0.808 792 L CB 1.216 43.209 42.059 -0.109 0.000 1.149 792 L HN 0.473 nan 8.230 nan 0.000 0.442 793 I N 4.327 124.799 120.570 -0.164 0.000 2.371 793 I HA 0.293 4.463 4.170 0.000 0.000 0.282 793 I C -0.177 175.877 176.117 -0.105 0.000 1.031 793 I CA -0.431 60.739 61.300 -0.218 0.000 1.180 793 I CB 1.170 38.920 38.000 -0.416 0.000 1.336 793 I HN 0.337 nan 8.210 nan 0.000 0.467 794 I N 5.215 125.764 120.570 -0.035 0.000 2.359 794 I HA 0.238 4.408 4.170 0.000 0.000 0.294 794 I C 0.758 176.874 176.117 -0.001 0.000 0.987 794 I CA -0.306 61.008 61.300 0.022 0.000 1.225 794 I CB 0.810 38.864 38.000 0.091 0.000 1.366 794 I HN 0.446 nan 8.210 nan 0.000 0.466 795 D N 4.270 124.646 120.400 -0.040 0.000 2.382 795 D HA -0.006 4.634 4.640 0.000 0.000 0.240 795 D C 0.574 176.684 176.300 -0.318 0.000 1.146 795 D CA 0.085 54.030 54.000 -0.091 0.000 0.897 795 D CB 1.157 41.946 40.800 -0.018 0.000 1.197 795 D HN 0.605 nan 8.370 nan 0.000 0.432 796 Q N 1.462 121.053 119.800 -0.348 0.000 2.137 796 Q HA -0.117 4.223 4.340 0.000 0.000 0.198 796 Q C 1.352 176.932 176.000 -0.699 0.000 0.960 796 Q CA 0.973 56.447 55.803 -0.547 0.000 0.847 796 Q CB 0.244 28.658 28.738 -0.539 0.000 0.915 796 Q HN 0.591 nan 8.270 nan 0.000 0.448 797 H N -1.441 117.537 119.070 -0.154 0.000 2.439 797 H HA 0.061 4.617 4.556 -0.000 0.000 0.299 797 H C 2.102 177.490 175.328 0.100 0.000 1.033 797 H CA 1.721 57.770 56.048 0.002 0.000 1.348 797 H CB -0.033 29.752 29.762 0.039 0.000 1.449 797 H HN 0.354 nan 8.280 nan 0.000 0.544 798 T N -2.017 112.635 114.554 0.164 0.000 3.057 798 T HA 0.000 4.350 4.350 0.000 0.000 0.254 798 T C 0.697 175.558 174.700 0.268 0.000 1.094 798 T CA -0.192 62.026 62.100 0.197 0.000 1.088 798 T CB -0.552 68.397 68.868 0.136 0.000 0.934 798 T HN 0.181 nan 8.240 nan 0.000 0.497 799 F N 2.343 122.346 119.950 0.088 0.000 3.100 799 F HA -0.208 4.319 4.527 -0.000 0.000 0.283 799 F C 0.510 176.333 175.800 0.038 0.000 0.900 799 F CA 0.680 58.712 58.000 0.054 0.000 1.010 799 F CB -1.945 37.065 39.000 0.017 0.000 1.029 799 F HN 0.530 nan 8.300 nan 0.000 0.637 800 E N -0.972 119.312 120.200 0.140 0.000 2.319 800 E HA 0.524 4.874 4.350 0.000 0.000 0.268 800 E C -0.156 176.487 176.600 0.071 0.000 1.050 800 E CA -0.922 55.539 56.400 0.102 0.000 0.878 800 E CB 1.812 31.565 29.700 0.088 0.000 1.066 800 E HN 0.066 nan 8.360 nan 0.000 0.406 801 V N 4.206 124.155 119.914 0.057 0.000 2.364 801 V HA -0.031 4.089 4.120 0.000 0.000 0.252 801 V C 1.282 177.401 176.094 0.042 0.000 1.075 801 V CA 0.050 62.369 62.300 0.031 0.000 1.033 801 V CB -0.857 30.973 31.823 0.012 0.000 1.116 801 V HN 0.699 nan 8.190 nan 0.000 0.488 802 L N 2.337 123.592 121.223 0.053 0.000 2.056 802 L HA 0.054 4.394 4.340 0.000 0.000 0.207 802 L C 1.019 177.987 176.870 0.164 0.000 1.078 802 L CA 1.361 56.265 54.840 0.107 0.000 0.749 802 L CB -0.292 41.850 42.059 0.138 0.000 0.901 802 L HN 0.717 nan 8.230 nan 0.000 0.433 803 H N -1.255 117.805 119.070 -0.017 0.000 2.996 803 H HA 0.666 5.222 4.556 0.000 0.000 0.368 803 H C -1.558 173.736 175.328 -0.057 0.000 1.185 803 H CA -0.593 55.449 56.048 -0.010 0.000 1.160 803 H CB 1.787 31.569 29.762 0.033 0.000 1.820 803 H HN -0.033 nan 8.280 nan 0.000 0.547 804 A N 3.322 125.704 122.820 -0.730 0.000 2.375 804 A HA 0.400 4.720 4.320 0.000 0.000 0.291 804 A C -1.649 175.598 177.584 -0.560 0.000 1.160 804 A CA -0.563 51.184 52.037 -0.483 0.000 0.747 804 A CB 0.243 19.075 19.000 -0.279 0.000 1.170 804 A HN 0.816 nan 8.150 nan 0.000 0.458 805 H N 1.595 120.392 119.070 -0.455 0.000 2.488 805 H HA 0.527 5.083 4.556 0.000 0.000 0.322 805 H C 0.025 175.105 175.328 -0.414 0.000 1.078 805 H CA 0.122 55.952 56.048 -0.364 0.000 1.260 805 H CB 0.916 30.459 29.762 -0.365 0.000 1.425 805 H HN 0.738 nan 8.280 nan 0.000 0.471 806 Q N 4.157 123.480 119.800 -0.796 0.000 2.227 806 Q HA 0.302 4.642 4.340 0.000 0.000 0.245 806 Q C -0.928 174.630 176.000 -0.737 0.000 0.926 806 Q CA -0.689 54.771 55.803 -0.571 0.000 0.895 806 Q CB 1.007 29.578 28.738 -0.279 0.000 1.230 806 Q HN 0.605 nan 8.270 nan 0.000 0.450 807 F N 0.786 120.655 119.950 -0.136 0.000 2.461 807 F HA 0.365 4.892 4.527 -0.000 0.000 0.337 807 F C 0.167 175.972 175.800 0.010 0.000 1.079 807 F CA -1.029 56.966 58.000 -0.009 0.000 1.032 807 F CB 0.806 39.850 39.000 0.074 0.000 1.327 807 F HN 0.393 nan 8.300 nan 0.000 0.491 808 L N 0.816 122.229 121.223 0.318 0.000 2.492 808 L HA 0.029 4.369 4.340 0.000 0.000 0.280 808 L C 0.365 177.318 176.870 0.139 0.000 1.240 808 L CA -0.105 54.852 54.840 0.195 0.000 0.831 808 L CB -0.035 42.154 42.059 0.217 0.000 1.100 808 L HN 0.532 nan 8.230 nan 0.000 0.505 809 Q N 2.466 122.333 119.800 0.112 0.000 2.263 809 Q HA -0.096 4.244 4.340 0.000 0.000 0.289 809 Q C 0.078 176.112 176.000 0.056 0.000 1.061 809 Q CA 0.304 56.163 55.803 0.092 0.000 0.927 809 Q CB 0.200 28.998 28.738 0.099 0.000 1.154 809 Q HN 0.645 nan 8.270 nan 0.000 0.378 810 N N 2.005 120.723 118.700 0.030 0.000 2.850 810 N HA -0.210 4.530 4.740 0.000 0.000 0.249 810 N C -1.002 174.410 175.510 -0.164 0.000 1.060 810 N CA 1.337 54.333 53.050 -0.091 0.000 0.825 810 N CB -0.707 37.601 38.487 -0.297 0.000 1.132 810 N HN 0.743 nan 8.380 nan 0.000 0.564 811 E N 0.362 120.523 120.200 -0.066 0.000 2.081 811 E HA 0.232 4.582 4.350 0.000 0.000 0.281 811 E C -0.846 175.622 176.600 -0.220 0.000 0.986 811 E CA -0.397 55.919 56.400 -0.139 0.000 0.796 811 E CB 0.480 30.150 29.700 -0.051 0.000 1.085 811 E HN 0.141 nan 8.360 nan 0.000 0.398 812 Y N 2.297 122.207 120.300 -0.651 0.000 2.308 812 Y HA 0.433 4.983 4.550 -0.000 0.000 0.329 812 Y C 0.444 176.016 175.900 -0.548 0.000 1.111 812 Y CA -1.285 56.214 58.100 -1.001 0.000 1.179 812 Y CB 1.616 39.687 38.460 -0.648 0.000 1.201 812 Y HN 0.576 nan 8.280 nan 0.000 0.483 813 A N 4.976 127.710 122.820 -0.144 0.000 2.276 813 A HA 0.450 4.771 4.320 0.000 0.000 0.300 813 A C 0.119 177.726 177.584 0.038 0.000 1.235 813 A CA -0.437 51.530 52.037 -0.117 0.000 0.867 813 A CB 0.211 19.144 19.000 -0.112 0.000 1.137 813 A HN 1.017 nan 8.150 nan 0.000 0.527 814 L N 1.927 123.142 121.223 -0.013 0.000 2.467 814 L HA 0.165 4.505 4.340 0.000 0.000 0.213 814 L C 0.808 177.717 176.870 0.064 0.000 1.053 814 L CA 0.522 55.393 54.840 0.052 0.000 0.847 814 L CB -0.064 42.007 42.059 0.019 0.000 1.075 814 L HN 0.718 nan 8.230 nan 0.000 0.479 815 S N 0.281 116.001 115.700 0.033 0.000 2.568 815 S HA 0.764 5.234 4.470 0.000 0.000 0.293 815 S C -0.998 173.637 174.600 0.059 0.000 1.089 815 S CA -0.659 57.575 58.200 0.058 0.000 0.945 815 S CB 2.904 66.138 63.200 0.057 0.000 1.077 815 S HN 0.057 nan 8.310 nan 0.000 0.485 816 L N 1.531 122.801 121.223 0.079 0.000 2.505 816 L HA 0.854 5.194 4.340 0.000 0.000 0.266 816 L C -1.393 175.547 176.870 0.116 0.000 0.954 816 L CA -0.443 54.450 54.840 0.089 0.000 0.852 816 L CB 1.762 43.856 42.059 0.059 0.000 1.282 816 L HN 0.811 nan 8.230 nan 0.000 0.403 817 V N 3.256 123.257 119.914 0.145 0.000 3.102 817 V HA 0.859 4.979 4.120 0.000 0.000 0.312 817 V C -1.105 175.134 176.094 0.241 0.000 1.135 817 V CA -0.079 62.316 62.300 0.158 0.000 1.022 817 V CB 2.619 34.506 31.823 0.107 0.000 1.056 817 V HN 0.910 nan 8.190 nan 0.000 0.436 818 S N 3.560 119.380 115.700 0.199 0.000 2.707 818 S HA 0.792 5.262 4.470 0.000 0.000 0.303 818 S C -0.823 173.780 174.600 0.005 0.000 1.132 818 S CA -0.057 58.224 58.200 0.136 0.000 1.046 818 S CB 0.199 63.494 63.200 0.159 0.000 1.004 818 S HN 1.612 nan 8.310 nan 0.000 0.483 819 C N 2.776 122.054 119.300 -0.036 0.000 3.306 819 C HA 0.673 5.133 4.460 0.000 0.000 0.335 819 C C -1.026 173.934 174.990 -0.050 0.000 1.382 819 C CA -1.239 57.753 59.018 -0.044 0.000 1.254 819 C CB 0.385 28.118 27.740 -0.011 0.000 1.555 819 C HN 0.798 nan 8.230 nan 0.000 0.463 820 K N 0.532 120.906 120.400 -0.042 0.000 2.118 820 K HA 0.786 5.106 4.320 0.000 0.000 0.264 820 K C -0.999 175.597 176.600 -0.006 0.000 1.000 820 K CA -0.249 56.033 56.287 -0.008 0.000 0.929 820 K CB 0.833 33.327 32.500 -0.010 0.000 1.021 820 K HN 0.570 nan 8.250 nan 0.000 0.463 821 L N 1.893 123.121 121.223 0.008 0.000 2.409 821 L HA 0.304 4.644 4.340 0.000 0.000 0.272 821 L C 0.810 177.795 176.870 0.193 0.000 0.980 821 L CA -0.454 54.369 54.840 -0.028 0.000 0.826 821 L CB 1.664 43.459 42.059 -0.441 0.000 1.268 821 L HN 1.008 nan 8.230 nan 0.000 0.407 822 G N 3.378 112.290 108.800 0.185 0.000 2.661 822 G HA2 -0.412 3.548 3.960 0.000 0.000 0.327 822 G HA3 -0.412 3.548 3.960 0.000 0.000 0.327 822 G C 0.631 175.637 174.900 0.177 0.000 1.320 822 G CA 0.918 46.137 45.100 0.198 0.000 0.997 822 G HN 0.720 nan 8.290 nan 0.000 0.543 823 K N 1.070 121.576 120.400 0.177 0.000 2.486 823 K HA 0.232 4.552 4.320 0.000 0.000 0.194 823 K C 0.766 177.453 176.600 0.144 0.000 1.033 823 K CA 0.727 57.091 56.287 0.128 0.000 1.004 823 K CB 0.047 32.601 32.500 0.090 0.000 0.798 823 K HN 0.540 nan 8.250 nan 0.000 0.495 824 D N 0.727 121.266 120.400 0.232 0.000 2.351 824 D HA 0.041 4.681 4.640 0.000 0.000 0.251 824 D C -1.823 174.579 176.300 0.170 0.000 1.137 824 D CA -2.040 52.110 54.000 0.251 0.000 0.879 824 D CB 1.095 42.183 40.800 0.480 0.000 1.181 824 D HN -0.094 nan 8.370 nan 0.000 0.448 825 P HA 0.142 nan 4.420 nan 0.000 0.268 825 P C -0.732 176.543 177.300 -0.042 0.000 1.329 825 P CA -0.245 62.871 63.100 0.026 0.000 0.899 825 P CB 0.222 31.929 31.700 0.012 0.000 1.378 826 N N 0.319 118.974 118.700 -0.074 0.000 2.483 826 N HA 0.271 5.011 4.740 0.000 0.000 0.269 826 N C -0.046 175.223 175.510 -0.402 0.000 1.209 826 N CA 0.221 53.091 53.050 -0.300 0.000 0.969 826 N CB 0.316 38.496 38.487 -0.513 0.000 1.173 826 N HN -0.065 nan 8.380 nan 0.000 0.475 827 T N -0.689 113.574 114.554 -0.485 0.000 2.756 827 T HA 0.423 4.773 4.350 0.000 0.000 0.290 827 T C -0.810 173.532 174.700 -0.597 0.000 0.985 827 T CA -0.565 61.281 62.100 -0.422 0.000 0.955 827 T CB -0.192 68.463 68.868 -0.355 0.000 0.930 827 T HN 0.225 nan 8.240 nan 0.000 0.451 828 Y N 1.502 121.682 120.300 -0.200 0.000 2.419 828 Y HA 0.659 5.209 4.550 -0.000 0.000 0.328 828 Y C -0.068 175.741 175.900 -0.151 0.000 1.162 828 Y CA -1.633 56.380 58.100 -0.146 0.000 1.174 828 Y CB 1.102 39.471 38.460 -0.152 0.000 1.228 828 Y HN 0.531 nan 8.280 nan 0.000 0.473 829 F N 1.921 121.985 119.950 0.191 0.000 2.458 829 F HA 0.648 5.175 4.527 0.000 0.000 0.330 829 F C -0.403 175.535 175.800 0.230 0.000 1.082 829 F CA -1.242 56.850 58.000 0.153 0.000 0.995 829 F CB 1.180 40.261 39.000 0.134 0.000 1.170 829 F HN 0.156 nan 8.300 nan 0.000 0.478 830 I N 2.480 123.290 120.570 0.399 0.000 2.619 830 I HA 0.549 4.719 4.170 0.000 0.000 0.292 830 I C -1.254 175.006 176.117 0.237 0.000 1.100 830 I CA -0.806 60.661 61.300 0.278 0.000 1.043 830 I CB 2.266 40.319 38.000 0.088 0.000 1.239 830 I HN 0.142 nan 8.210 nan 0.000 0.420 831 V N 3.341 123.419 119.914 0.274 0.000 2.823 831 V HA 0.827 4.947 4.120 0.000 0.000 0.312 831 V C 0.070 176.210 176.094 0.076 0.000 1.072 831 V CA -0.584 61.838 62.300 0.203 0.000 0.937 831 V CB 2.071 34.114 31.823 0.367 0.000 1.013 831 V HN 0.881 nan 8.190 nan 0.000 0.430 832 G N 1.340 110.134 108.800 -0.009 0.000 2.544 832 G HA2 0.701 4.661 3.960 0.000 0.000 0.313 832 G HA3 0.701 4.661 3.960 0.000 0.000 0.313 832 G C -0.418 174.401 174.900 -0.135 0.000 1.316 832 G CA -0.089 44.973 45.100 -0.064 0.000 0.944 832 G HN 0.869 nan 8.290 nan 0.000 0.489 833 T N -1.252 113.196 114.554 -0.176 0.000 2.773 833 T HA 0.900 5.250 4.350 0.000 0.000 0.278 833 T C -0.298 174.249 174.700 -0.256 0.000 1.011 833 T CA -0.520 61.425 62.100 -0.258 0.000 1.014 833 T CB 2.145 70.810 68.868 -0.338 0.000 1.293 833 T HN 1.813 nan 8.240 nan 0.000 0.554 834 A N 0.473 123.117 122.820 -0.292 0.000 2.589 834 A HA 0.678 4.998 4.320 0.000 0.000 0.296 834 A C -1.226 176.115 177.584 -0.405 0.000 1.062 834 A CA -0.870 50.964 52.037 -0.339 0.000 0.686 834 A CB 1.558 20.340 19.000 -0.364 0.000 1.282 834 A HN 0.729 nan 8.150 nan 0.000 0.404 835 M N 2.012 121.337 119.600 -0.458 0.000 2.094 835 M HA 0.412 4.892 4.480 0.000 0.000 0.348 835 M C -0.725 175.185 176.300 -0.651 0.000 1.267 835 M CA -0.247 54.717 55.300 -0.561 0.000 1.125 835 M CB 0.701 32.992 32.600 -0.515 0.000 1.527 835 M HN 0.374 nan 8.290 nan 0.000 0.447 836 V N 6.095 125.497 119.914 -0.854 0.000 2.370 836 V HA 0.418 4.538 4.120 0.000 0.000 0.283 836 V C -1.051 174.487 176.094 -0.927 0.000 1.023 836 V CA -0.598 61.214 62.300 -0.813 0.000 0.857 836 V CB 0.819 31.965 31.823 -1.130 0.000 0.985 836 V HN 0.613 nan 8.190 nan 0.000 0.443 837 Y N 5.376 125.568 120.300 -0.179 0.000 2.376 837 Y HA 0.404 4.954 4.550 0.000 0.000 0.340 837 Y C -1.546 174.305 175.900 -0.083 0.000 0.965 837 Y CA -2.271 55.768 58.100 -0.101 0.000 1.078 837 Y CB 1.540 39.958 38.460 -0.070 0.000 1.193 837 Y HN 0.426 nan 8.280 nan 0.000 0.452 838 P HA -0.284 nan 4.420 nan 0.000 0.217 838 P C 1.141 178.469 177.300 0.046 0.000 1.158 838 P CA 2.328 65.453 63.100 0.042 0.000 0.887 838 P CB 0.312 32.047 31.700 0.059 0.000 0.792 839 E N 0.441 120.682 120.200 0.068 0.000 2.023 839 E HA -0.181 4.169 4.350 0.000 0.000 0.196 839 E C 0.536 177.162 176.600 0.042 0.000 1.003 839 E CA 0.963 57.391 56.400 0.047 0.000 0.809 839 E CB -1.334 28.387 29.700 0.034 0.000 0.755 839 E HN 0.266 nan 8.360 nan 0.000 0.449 840 E N 0.734 120.973 120.200 0.064 0.000 2.498 840 E HA 0.061 4.411 4.350 0.000 0.000 0.252 840 E C 0.652 177.267 176.600 0.025 0.000 1.025 840 E CA 0.077 56.506 56.400 0.050 0.000 0.938 840 E CB 0.986 30.741 29.700 0.091 0.000 0.947 840 E HN 0.476 nan 8.360 nan 0.000 0.478 841 A N 4.732 127.565 122.820 0.022 0.000 1.972 841 A HA -0.155 4.165 4.320 0.000 0.000 0.219 841 A C 0.738 178.334 177.584 0.021 0.000 1.169 841 A CA 1.239 53.290 52.037 0.022 0.000 0.635 841 A CB 0.214 19.230 19.000 0.027 0.000 0.810 841 A HN 0.614 nan 8.150 nan 0.000 0.446 842 E N -0.469 119.741 120.200 0.017 0.000 2.275 842 E HA 0.359 4.709 4.350 0.000 0.000 0.270 842 E C -2.895 173.698 176.600 -0.012 0.000 0.882 842 E CA -2.332 54.078 56.400 0.017 0.000 0.758 842 E CB 1.739 31.456 29.700 0.029 0.000 1.195 842 E HN 0.015 nan 8.360 nan 0.000 0.419 843 P HA -0.029 nan 4.420 nan 0.000 0.262 843 P C 0.147 177.406 177.300 -0.069 0.000 1.199 843 P CA 0.185 63.222 63.100 -0.105 0.000 0.763 843 P CB 0.658 32.238 31.700 -0.201 0.000 0.790 844 K N 2.801 123.176 120.400 -0.043 0.000 2.284 844 K HA 0.041 4.361 4.320 0.000 0.000 0.198 844 K C 0.458 177.043 176.600 -0.024 0.000 1.048 844 K CA 1.273 57.550 56.287 -0.015 0.000 0.987 844 K CB 0.419 32.927 32.500 0.014 0.000 0.800 844 K HN 0.479 nan 8.250 nan 0.000 0.486 845 Q N -1.555 118.193 119.800 -0.087 0.000 2.445 845 Q HA 0.708 5.048 4.340 0.000 0.000 0.281 845 Q C -0.726 175.123 176.000 -0.252 0.000 1.101 845 Q CA -0.895 54.834 55.803 -0.125 0.000 0.833 845 Q CB 2.328 30.922 28.738 -0.241 0.000 1.416 845 Q HN 0.213 nan 8.270 nan 0.000 0.451 846 G N 0.157 108.850 108.800 -0.178 0.000 2.316 846 G HA2 0.428 4.388 3.960 0.000 0.000 0.296 846 G HA3 0.428 4.388 3.960 0.000 0.000 0.296 846 G C -1.953 172.999 174.900 0.087 0.000 1.399 846 G CA -0.932 44.065 45.100 -0.171 0.000 0.833 846 G HN 0.616 nan 8.290 nan 0.000 0.565 847 R N -0.978 119.552 120.500 0.051 0.000 2.799 847 R HA 0.776 5.116 4.340 0.000 0.000 0.270 847 R C -1.486 174.814 176.300 -0.000 0.000 1.010 847 R CA -1.055 55.101 56.100 0.092 0.000 0.916 847 R CB 1.659 32.084 30.300 0.209 0.000 1.228 847 R HN 0.458 nan 8.270 nan 0.000 0.469 848 I N 1.969 122.522 120.570 -0.029 0.000 2.378 848 I HA 0.355 4.525 4.170 0.000 0.000 0.291 848 I C -0.626 175.462 176.117 -0.048 0.000 0.992 848 I CA -1.197 60.059 61.300 -0.072 0.000 1.154 848 I CB 2.100 39.981 38.000 -0.198 0.000 1.315 848 I HN 0.289 nan 8.210 nan 0.000 0.448 849 V N 6.960 126.874 119.914 0.000 0.000 2.555 849 V HA 0.378 4.498 4.120 0.000 0.000 0.302 849 V C -0.128 175.858 176.094 -0.181 0.000 1.038 849 V CA -0.766 61.477 62.300 -0.095 0.000 0.887 849 V CB 2.172 33.976 31.823 -0.031 0.000 0.991 849 V HN 0.371 nan 8.190 nan 0.000 0.434 850 V N 5.352 125.078 119.914 -0.312 0.000 2.294 850 V HA 0.448 4.568 4.120 0.000 0.000 0.272 850 V C -0.410 175.564 176.094 -0.201 0.000 1.027 850 V CA -0.243 61.923 62.300 -0.222 0.000 0.823 850 V CB 0.355 31.994 31.823 -0.307 0.000 1.030 850 V HN 0.635 nan 8.190 nan 0.000 0.457 851 F N 2.411 122.452 119.950 0.152 0.000 2.380 851 F HA 0.596 5.123 4.527 -0.000 0.000 0.321 851 F C 0.494 176.459 175.800 0.276 0.000 1.103 851 F CA -0.350 57.762 58.000 0.187 0.000 1.067 851 F CB 1.040 40.144 39.000 0.173 0.000 1.265 851 F HN 0.325 nan 8.300 nan 0.000 0.517 852 Q N 1.237 121.285 119.800 0.412 0.000 2.285 852 Q HA 0.232 4.572 4.340 0.000 0.000 0.269 852 Q C -2.016 174.124 176.000 0.233 0.000 1.030 852 Q CA -0.777 55.169 55.803 0.238 0.000 0.788 852 Q CB 1.790 30.621 28.738 0.156 0.000 1.266 852 Q HN 0.747 nan 8.270 nan 0.000 0.438 853 Y N 3.317 123.622 120.300 0.008 0.000 2.726 853 Y HA 0.196 4.746 4.550 -0.000 0.000 0.367 853 Y C 0.668 176.519 175.900 -0.083 0.000 1.038 853 Y CA -0.178 57.915 58.100 -0.010 0.000 1.174 853 Y CB 0.263 38.766 38.460 0.071 0.000 1.265 853 Y HN 0.747 nan 8.280 nan 0.000 0.622 854 S N 0.019 115.590 115.700 -0.215 0.000 2.382 854 S HA -0.070 4.400 4.470 0.000 0.000 0.228 854 S C 0.206 174.586 174.600 -0.367 0.000 1.027 854 S CA 1.331 59.386 58.200 -0.241 0.000 0.991 854 S CB 0.043 63.144 63.200 -0.166 0.000 0.823 854 S HN 0.691 nan 8.310 nan 0.000 0.469 855 D N -2.606 117.461 120.400 -0.555 0.000 2.785 855 D HA 0.421 5.062 4.640 0.000 0.000 0.239 855 D C 0.541 176.500 176.300 -0.568 0.000 1.142 855 D CA 0.564 54.197 54.000 -0.612 0.000 0.734 855 D CB 0.510 41.130 40.800 -0.299 0.000 1.820 855 D HN 0.348 nan 8.370 nan 0.000 0.461 856 G N 2.854 111.346 108.800 -0.514 0.000 3.639 856 G HA2 -0.308 3.652 3.960 0.000 0.000 0.224 856 G HA3 -0.308 3.652 3.960 0.000 0.000 0.224 856 G C 0.141 174.974 174.900 -0.112 0.000 1.339 856 G CA 1.432 46.417 45.100 -0.192 0.000 0.933 856 G HN 0.935 nan 8.290 nan 0.000 0.568 857 K N -0.299 119.982 120.400 -0.199 0.000 2.395 857 K HA 0.832 5.152 4.320 0.000 0.000 0.245 857 K C -0.522 176.042 176.600 -0.060 0.000 1.017 857 K CA -1.209 54.964 56.287 -0.189 0.000 0.852 857 K CB 1.806 34.211 32.500 -0.157 0.000 1.311 857 K HN 0.204 nan 8.250 nan 0.000 0.452 858 L N 2.359 123.487 121.223 -0.158 0.000 2.260 858 L HA 0.253 4.593 4.340 0.000 0.000 0.289 858 L C -0.399 176.547 176.870 0.127 0.000 1.057 858 L CA -0.383 54.509 54.840 0.087 0.000 0.811 858 L CB 1.353 43.452 42.059 0.067 0.000 1.184 858 L HN 0.716 nan 8.230 nan 0.000 0.429 859 Q N 2.205 122.104 119.800 0.166 0.000 2.271 859 Q HA 0.286 4.626 4.340 0.000 0.000 0.258 859 Q C -0.770 175.312 176.000 0.138 0.000 0.936 859 Q CA -0.653 55.228 55.803 0.129 0.000 0.909 859 Q CB 1.793 30.583 28.738 0.086 0.000 1.253 859 Q HN 0.517 nan 8.270 nan 0.000 0.440 860 T N 3.266 117.842 114.554 0.036 0.000 2.769 860 T HA 0.118 4.468 4.350 0.000 0.000 0.293 860 T C 0.862 175.522 174.700 -0.066 0.000 0.931 860 T CA -0.324 61.683 62.100 -0.154 0.000 1.139 860 T CB 0.795 69.577 68.868 -0.142 0.000 0.881 860 T HN 0.469 nan 8.240 nan 0.000 0.532 861 V N 1.366 121.238 119.914 -0.070 0.000 3.523 861 V HA 0.534 4.654 4.120 0.000 0.000 0.255 861 V C 0.831 176.946 176.094 0.036 0.000 1.226 861 V CA 0.345 62.669 62.300 0.040 0.000 1.092 861 V CB -0.221 31.692 31.823 0.150 0.000 0.817 861 V HN 1.037 nan 8.190 nan 0.000 0.458 862 A N 0.407 123.214 122.820 -0.020 0.000 2.565 862 A HA 0.697 5.017 4.320 0.000 0.000 0.298 862 A C -1.091 176.463 177.584 -0.051 0.000 1.062 862 A CA -0.415 51.641 52.037 0.031 0.000 0.723 862 A CB 1.535 20.680 19.000 0.243 0.000 1.282 862 A HN 0.238 nan 8.150 nan 0.000 0.400 863 E N 1.002 121.183 120.200 -0.032 0.000 2.314 863 E HA 0.707 5.057 4.350 0.000 0.000 0.272 863 E C -1.289 175.299 176.600 -0.019 0.000 0.884 863 E CA -0.683 55.693 56.400 -0.040 0.000 0.753 863 E CB 1.719 31.399 29.700 -0.035 0.000 1.213 863 E HN 0.485 nan 8.360 nan 0.000 0.432 864 K N 2.893 123.282 120.400 -0.018 0.000 2.637 864 K HA 0.190 4.510 4.320 0.000 0.000 0.248 864 K C -1.273 175.339 176.600 0.020 0.000 0.971 864 K CA -0.503 55.781 56.287 -0.005 0.000 0.858 864 K CB 1.568 34.044 32.500 -0.040 0.000 1.170 864 K HN 0.525 nan 8.250 nan 0.000 0.443 865 E N 3.168 123.383 120.200 0.026 0.000 2.392 865 E HA 0.221 4.571 4.350 0.000 0.000 0.264 865 E C -0.542 176.126 176.600 0.114 0.000 1.024 865 E CA -0.261 56.182 56.400 0.073 0.000 0.903 865 E CB 0.837 30.529 29.700 -0.012 0.000 0.963 865 E HN 0.450 nan 8.360 nan 0.000 0.432 866 V N 1.388 121.395 119.914 0.155 0.000 3.156 866 V HA 0.481 4.601 4.120 0.000 0.000 0.310 866 V C -0.176 175.981 176.094 0.104 0.000 1.234 866 V CA -0.855 61.515 62.300 0.116 0.000 1.065 866 V CB 2.087 33.964 31.823 0.091 0.000 1.088 866 V HN 0.537 nan 8.190 nan 0.000 0.451 867 K N 0.756 121.191 120.400 0.059 0.000 2.440 867 K HA 0.614 4.934 4.320 0.000 0.000 0.206 867 K C 0.233 176.835 176.600 0.002 0.000 1.025 867 K CA 0.778 57.088 56.287 0.039 0.000 1.135 867 K CB 0.446 32.962 32.500 0.025 0.000 0.856 867 K HN 1.226 nan 8.250 nan 0.000 0.502 868 G N -0.387 108.395 108.800 -0.030 0.000 2.430 868 G HA2 0.436 4.396 3.960 0.000 0.000 0.300 868 G HA3 0.436 4.396 3.960 0.000 0.000 0.300 868 G C -1.645 173.152 174.900 -0.171 0.000 1.330 868 G CA -0.512 44.538 45.100 -0.083 0.000 0.813 868 G HN 0.021 nan 8.290 nan 0.000 0.487 869 A N 0.110 122.751 122.820 -0.297 0.000 2.410 869 A HA 0.510 4.830 4.320 0.000 0.000 0.292 869 A C 0.553 177.781 177.584 -0.593 0.000 1.232 869 A CA -0.223 51.476 52.037 -0.563 0.000 0.893 869 A CB -0.129 18.287 19.000 -0.973 0.000 1.131 869 A HN 1.432 nan 8.150 nan 0.000 0.530 870 V N 4.911 124.614 119.914 -0.353 0.000 2.324 870 V HA -0.065 4.055 4.120 0.000 0.000 0.244 870 V C 0.654 176.642 176.094 -0.176 0.000 1.144 870 V CA 0.521 62.703 62.300 -0.196 0.000 1.158 870 V CB -1.868 29.890 31.823 -0.110 0.000 1.254 870 V HN 0.928 nan 8.190 nan 0.000 0.492 871 Y N 2.475 122.751 120.300 -0.040 0.000 2.439 871 Y HA 0.010 4.560 4.550 -0.000 0.000 0.292 871 Y C 1.451 177.335 175.900 -0.027 0.000 1.130 871 Y CA 0.826 58.896 58.100 -0.050 0.000 1.254 871 Y CB 0.488 38.888 38.460 -0.100 0.000 1.000 871 Y HN 0.778 nan 8.280 nan 0.000 0.554 872 S N -0.052 115.721 115.700 0.122 0.000 2.622 872 S HA 0.555 5.026 4.470 0.000 0.000 0.275 872 S C -1.176 173.470 174.600 0.077 0.000 1.112 872 S CA -1.041 57.221 58.200 0.104 0.000 0.837 872 S CB 0.964 64.239 63.200 0.126 0.000 1.082 872 S HN 0.204 nan 8.310 nan 0.000 0.456 873 M N 1.388 121.034 119.600 0.078 0.000 2.365 873 M HA 0.810 5.290 4.480 0.000 0.000 0.288 873 M C -1.957 174.389 176.300 0.076 0.000 1.152 873 M CA -0.869 54.469 55.300 0.063 0.000 0.948 873 M CB 1.623 34.246 32.600 0.038 0.000 1.729 873 M HN 0.873 nan 8.290 nan 0.000 0.487 874 V N 1.375 121.333 119.914 0.073 0.000 2.864 874 V HA 0.543 4.663 4.120 0.000 0.000 0.314 874 V C -0.531 175.621 176.094 0.096 0.000 1.073 874 V CA -0.283 62.073 62.300 0.093 0.000 0.956 874 V CB 2.080 33.970 31.823 0.111 0.000 1.023 874 V HN 1.022 nan 8.190 nan 0.000 0.435 875 E N 3.292 123.553 120.200 0.101 0.000 2.373 875 E HA 0.076 4.426 4.350 0.000 0.000 0.267 875 E C -0.959 175.755 176.600 0.189 0.000 1.032 875 E CA 0.169 56.632 56.400 0.104 0.000 0.889 875 E CB 1.083 30.820 29.700 0.062 0.000 0.984 875 E HN 0.643 nan 8.360 nan 0.000 0.425 876 F N 3.257 123.185 119.950 -0.036 0.000 2.480 876 F HA 0.251 4.779 4.527 0.001 0.000 0.212 876 F C 1.017 176.740 175.800 -0.128 0.000 1.113 876 F CA 0.100 58.051 58.000 -0.081 0.000 0.970 876 F CB 0.126 39.073 39.000 -0.089 0.000 1.177 876 F HN 0.451 nan 8.300 nan 0.000 0.663 877 N N 0.211 118.794 118.700 -0.194 0.000 2.660 877 N HA 0.248 4.988 4.740 0.000 0.000 0.316 877 N C 0.209 175.678 175.510 -0.069 0.000 1.774 877 N CA 0.693 53.552 53.050 -0.318 0.000 0.946 877 N CB 0.846 38.996 38.487 -0.562 0.000 1.322 877 N HN 0.713 nan 8.380 nan 0.000 0.492 878 G N 1.071 109.865 108.800 -0.011 0.000 2.160 878 G HA2 -0.300 3.660 3.960 0.000 0.000 0.251 878 G HA3 -0.300 3.660 3.960 0.000 0.000 0.251 878 G C 0.184 175.138 174.900 0.090 0.000 1.008 878 G CA 0.565 45.690 45.100 0.042 0.000 0.724 878 G HN 0.356 nan 8.290 nan 0.000 0.514 879 K N -1.504 118.967 120.400 0.118 0.000 2.316 879 K HA 0.823 5.144 4.320 0.000 0.000 0.234 879 K C -0.641 176.038 176.600 0.132 0.000 1.054 879 K CA -1.146 55.232 56.287 0.152 0.000 0.879 879 K CB 1.430 34.035 32.500 0.176 0.000 1.252 879 K HN 0.146 nan 8.250 nan 0.000 0.471 880 L N 2.662 123.969 121.223 0.140 0.000 2.301 880 L HA 0.393 4.733 4.340 0.000 0.000 0.278 880 L C -1.536 175.414 176.870 0.133 0.000 1.022 880 L CA -0.680 54.224 54.840 0.106 0.000 0.854 880 L CB 0.779 42.862 42.059 0.039 0.000 1.226 880 L HN 0.418 nan 8.230 nan 0.000 0.429 881 L N 5.135 126.389 121.223 0.052 0.000 2.380 881 L HA 0.806 5.147 4.340 0.000 0.000 0.273 881 L C -0.204 176.690 176.870 0.040 0.000 1.138 881 L CA 0.391 55.213 54.840 -0.030 0.000 0.832 881 L CB 0.912 42.848 42.059 -0.205 0.000 1.124 881 L HN 0.794 nan 8.230 nan 0.000 0.454 882 A N 2.830 125.692 122.820 0.070 0.000 2.605 882 A HA 0.727 5.047 4.320 0.000 0.000 0.294 882 A C -0.977 176.654 177.584 0.079 0.000 1.062 882 A CA -0.191 51.898 52.037 0.087 0.000 0.682 882 A CB 1.262 20.332 19.000 0.117 0.000 1.278 882 A HN 0.786 nan 8.150 nan 0.000 0.410 883 S N -0.029 115.709 115.700 0.063 0.000 2.578 883 S HA 0.871 5.341 4.470 0.000 0.000 0.301 883 S C -0.719 173.915 174.600 0.056 0.000 1.091 883 S CA -0.539 57.694 58.200 0.054 0.000 1.032 883 S CB 1.178 64.409 63.200 0.051 0.000 1.064 883 S HN 0.709 nan 8.310 nan 0.000 0.508 884 I N 1.770 122.368 120.570 0.046 0.000 2.497 884 I HA 0.352 4.522 4.170 0.000 0.000 0.284 884 I C -0.330 175.810 176.117 0.038 0.000 1.060 884 I CA -0.363 60.948 61.300 0.018 0.000 1.071 884 I CB 1.428 39.444 38.000 0.027 0.000 1.216 884 I HN 0.698 nan 8.210 nan 0.000 0.442 885 N N 4.977 123.719 118.700 0.069 0.000 2.717 885 N HA -0.226 4.514 4.740 0.000 0.000 0.298 885 N C 0.173 175.733 175.510 0.084 0.000 1.128 885 N CA 1.380 54.507 53.050 0.128 0.000 0.778 885 N CB -0.154 38.363 38.487 0.051 0.000 0.972 885 N HN 1.022 nan 8.380 nan 0.000 0.573 886 S N -0.293 115.446 115.700 0.066 0.000 3.436 886 S HA -0.213 4.257 4.470 0.000 0.000 0.393 886 S C -0.291 174.314 174.600 0.009 0.000 0.914 886 S CA 1.185 59.382 58.200 -0.005 0.000 1.317 886 S CB -1.469 61.714 63.200 -0.028 0.000 0.920 886 S HN 0.645 nan 8.310 nan 0.000 0.564 887 T N 1.135 115.679 114.554 -0.016 0.000 3.289 887 T HA 0.428 4.778 4.350 0.000 0.000 0.370 887 T C -0.773 173.897 174.700 -0.050 0.000 1.546 887 T CA -0.499 61.580 62.100 -0.034 0.000 1.144 887 T CB 1.677 70.536 68.868 -0.014 0.000 1.379 887 T HN 0.883 nan 8.240 nan 0.000 0.478 888 V N 3.220 123.082 119.914 -0.087 0.000 2.305 888 V HA 0.467 4.587 4.120 0.000 0.000 0.275 888 V C 0.398 176.441 176.094 -0.085 0.000 1.020 888 V CA -0.702 61.569 62.300 -0.048 0.000 0.811 888 V CB 0.990 32.815 31.823 0.004 0.000 1.031 888 V HN 0.647 nan 8.190 nan 0.000 0.439 889 R N 2.744 123.208 120.500 -0.059 0.000 2.549 889 R HA 0.667 5.008 4.340 0.000 0.000 0.267 889 R C -1.002 175.249 176.300 -0.083 0.000 1.045 889 R CA -0.864 55.155 56.100 -0.135 0.000 1.115 889 R CB 1.554 31.699 30.300 -0.258 0.000 1.121 889 R HN 0.469 nan 8.270 nan 0.000 0.543 890 L N 2.950 124.085 121.223 -0.147 0.000 2.462 890 L HA 0.311 4.651 4.340 0.000 0.000 0.255 890 L C -1.599 175.259 176.870 -0.020 0.000 1.076 890 L CA -0.355 54.450 54.840 -0.058 0.000 0.920 890 L CB 0.507 42.505 42.059 -0.101 0.000 1.214 890 L HN 0.453 nan 8.230 nan 0.000 0.472 891 Y N 1.462 121.775 120.300 0.021 0.000 2.397 891 Y HA 0.357 4.907 4.550 -0.000 0.000 0.335 891 Y C 0.847 176.805 175.900 0.097 0.000 1.213 891 Y CA 0.219 58.357 58.100 0.062 0.000 1.391 891 Y CB 0.731 39.232 38.460 0.068 0.000 1.293 891 Y HN 0.528 nan 8.280 nan 0.000 0.557 892 E N 1.945 122.309 120.200 0.272 0.000 2.222 892 E HA 0.205 4.555 4.350 0.000 0.000 0.267 892 E C -1.580 175.227 176.600 0.344 0.000 0.963 892 E CA -0.823 55.726 56.400 0.248 0.000 0.837 892 E CB 1.035 30.835 29.700 0.166 0.000 1.183 892 E HN 0.717 nan 8.360 nan 0.000 0.403 893 W N 5.260 126.596 121.300 0.060 0.000 2.338 893 W HA 0.191 4.851 4.660 -0.001 0.000 0.315 893 W C -0.481 176.050 176.519 0.020 0.000 1.005 893 W CA -0.874 56.486 57.345 0.025 0.000 1.380 893 W CB 0.973 30.438 29.460 0.007 0.000 1.235 893 W HN 0.626 nan 8.180 nan 0.000 0.409 894 T N 0.851 115.233 114.554 -0.287 0.000 2.908 894 T HA -0.064 4.286 4.350 0.000 0.000 0.325 894 T C 1.263 175.690 174.700 -0.456 0.000 1.092 894 T CA 0.438 62.352 62.100 -0.311 0.000 1.125 894 T CB 1.219 69.930 68.868 -0.262 0.000 1.016 894 T HN 0.430 nan 8.240 nan 0.000 0.550 895 T N 0.659 115.071 114.554 -0.237 0.000 3.155 895 T HA 0.024 4.374 4.350 0.000 0.000 0.264 895 T C 0.737 175.305 174.700 -0.221 0.000 1.160 895 T CA 0.650 62.639 62.100 -0.186 0.000 1.075 895 T CB -0.245 68.574 68.868 -0.081 0.000 0.921 895 T HN 0.729 nan 8.240 nan 0.000 0.533 896 E N 0.763 120.789 120.200 -0.289 0.000 2.499 896 E HA 0.192 4.542 4.350 0.000 0.000 0.199 896 E C -0.132 176.251 176.600 -0.362 0.000 1.016 896 E CA -0.335 55.916 56.400 -0.247 0.000 0.933 896 E CB 0.137 29.731 29.700 -0.177 0.000 1.050 896 E HN 0.066 nan 8.360 nan 0.000 0.462 897 K N 1.246 121.266 120.400 -0.634 0.000 3.653 897 K HA -0.190 4.130 4.320 0.000 0.000 0.275 897 K C -0.772 175.276 176.600 -0.919 0.000 0.962 897 K CA 0.672 56.378 56.287 -0.968 0.000 0.773 897 K CB -1.698 30.586 32.500 -0.360 0.000 1.463 897 K HN 0.219 nan 8.250 nan 0.000 0.450 898 D N -0.528 119.236 120.400 -1.059 0.000 2.655 898 D HA 0.315 4.955 4.640 0.000 0.000 0.229 898 D C -0.802 175.451 176.300 -0.078 0.000 1.229 898 D CA -0.499 53.272 54.000 -0.381 0.000 0.807 898 D CB 2.433 43.120 40.800 -0.190 0.000 1.514 898 D HN -0.044 nan 8.370 nan 0.000 0.444 899 V N 0.728 120.797 119.914 0.259 0.000 2.368 899 V HA 0.647 4.767 4.120 0.000 0.000 0.266 899 V C 0.069 176.356 176.094 0.322 0.000 1.045 899 V CA -0.626 61.897 62.300 0.371 0.000 0.899 899 V CB 0.497 32.468 31.823 0.245 0.000 1.006 899 V HN 0.489 nan 8.190 nan 0.000 0.470 900 R N 2.448 123.107 120.500 0.265 0.000 2.604 900 R HA 0.671 5.011 4.340 0.000 0.000 0.287 900 R C -0.136 176.234 176.300 0.117 0.000 0.970 900 R CA -0.445 55.758 56.100 0.172 0.000 0.946 900 R CB 1.104 31.449 30.300 0.075 0.000 1.127 900 R HN 0.554 nan 8.270 nan 0.000 0.473 901 T N 2.708 117.242 114.554 -0.035 0.000 2.916 901 T HA 0.020 4.371 4.350 0.000 0.000 0.303 901 T C 0.611 175.237 174.700 -0.123 0.000 1.025 901 T CA -0.326 61.614 62.100 -0.265 0.000 1.142 901 T CB 0.780 69.496 68.868 -0.253 0.000 0.947 901 T HN 0.637 nan 8.240 nan 0.000 0.544 902 E N 1.278 121.398 120.200 -0.134 0.000 2.046 902 E HA 0.127 4.477 4.350 0.000 0.000 0.199 902 E C 0.923 177.541 176.600 0.030 0.000 0.948 902 E CA 0.469 56.869 56.400 -0.001 0.000 0.876 902 E CB -0.209 29.541 29.700 0.085 0.000 0.901 902 E HN 0.781 nan 8.360 nan 0.000 0.479 903 C N 0.608 119.934 119.300 0.043 0.000 3.080 903 C HA 0.767 5.227 4.460 0.000 0.000 0.307 903 C C -1.114 173.834 174.990 -0.070 0.000 1.311 903 C CA -1.283 57.798 59.018 0.105 0.000 1.533 903 C CB 0.719 28.664 27.740 0.342 0.000 1.970 903 C HN 0.555 nan 8.230 nan 0.000 0.467 904 N N -1.255 117.318 118.700 -0.211 0.000 2.397 904 N HA 0.345 5.085 4.740 0.000 0.000 0.291 904 N C -1.079 173.943 175.510 -0.813 0.000 1.065 904 N CA -0.499 52.324 53.050 -0.377 0.000 0.884 904 N CB 0.789 39.129 38.487 -0.244 0.000 1.551 904 N HN 0.979 nan 8.380 nan 0.000 0.487 905 H N 1.636 120.113 119.070 -0.988 0.000 2.732 905 H HA 0.040 4.596 4.556 0.001 0.000 0.351 905 H C -0.819 174.351 175.328 -0.262 0.000 1.090 905 H CA -0.017 55.495 56.048 -0.893 0.000 1.431 905 H CB 0.836 30.341 29.762 -0.428 0.000 1.447 905 H HN 0.946 nan 8.280 nan 0.000 0.582 906 Y N 3.964 123.896 120.300 -0.614 0.000 2.791 906 Y HA 0.144 4.693 4.550 -0.000 0.000 0.263 906 Y C -0.531 175.114 175.900 -0.424 0.000 1.089 906 Y CA -0.723 57.086 58.100 -0.485 0.000 1.253 906 Y CB -0.094 38.215 38.460 -0.252 0.000 1.360 906 Y HN 0.518 nan 8.280 nan 0.000 0.569 907 N N 3.715 121.989 118.700 -0.710 0.000 3.050 907 N HA 0.140 4.880 4.740 0.000 0.000 0.289 907 N C -1.446 173.866 175.510 -0.330 0.000 1.209 907 N CA 0.246 53.056 53.050 -0.400 0.000 1.154 907 N CB -0.676 37.822 38.487 0.019 0.000 1.444 907 N HN 0.660 nan 8.380 nan 0.000 0.529 908 N N 0.973 119.457 118.700 -0.360 0.000 2.935 908 N HA 0.194 4.934 4.740 0.000 0.000 0.248 908 N C -1.369 174.022 175.510 -0.199 0.000 1.276 908 N CA -0.728 52.185 53.050 -0.227 0.000 0.906 908 N CB 0.799 39.178 38.487 -0.181 0.000 1.564 908 N HN -0.021 nan 8.380 nan 0.000 0.500 909 I N 1.248 121.719 120.570 -0.165 0.000 2.304 909 I HA 0.218 4.388 4.170 0.000 0.000 0.291 909 I C 0.514 176.546 176.117 -0.141 0.000 1.018 909 I CA -0.563 60.652 61.300 -0.142 0.000 1.260 909 I CB 0.559 38.468 38.000 -0.151 0.000 1.390 909 I HN 0.716 nan 8.210 nan 0.000 0.475 910 M N 5.055 124.590 119.600 -0.107 0.000 4.019 910 M HA -0.224 4.256 4.480 0.000 0.000 0.157 910 M C -0.155 176.044 176.300 -0.169 0.000 1.528 910 M CA 0.222 55.447 55.300 -0.125 0.000 1.089 910 M CB 0.045 32.537 32.600 -0.180 0.000 1.344 910 M HN 0.806 nan 8.290 nan 0.000 0.223 911 A N 6.256 129.009 122.820 -0.111 0.000 2.666 911 A HA 0.479 4.799 4.320 0.000 0.000 0.312 911 A C 0.718 178.192 177.584 -0.184 0.000 1.471 911 A CA -0.588 51.380 52.037 -0.115 0.000 1.134 911 A CB -0.081 18.888 19.000 -0.052 0.000 1.129 911 A HN 0.905 nan 8.150 nan 0.000 0.539 912 L N 1.101 122.072 121.223 -0.421 0.000 2.375 912 L HA 0.131 4.471 4.340 0.000 0.000 0.215 912 L C -0.308 176.150 176.870 -0.688 0.000 1.108 912 L CA 0.731 55.096 54.840 -0.793 0.000 0.830 912 L CB -0.321 40.857 42.059 -1.469 0.000 0.959 912 L HN 0.704 nan 8.230 nan 0.000 0.457 913 Y N -0.349 119.968 120.300 0.029 0.000 2.470 913 Y HA 0.622 5.172 4.550 -0.000 0.000 0.341 913 Y C -0.770 175.155 175.900 0.042 0.000 1.021 913 Y CA -1.117 57.011 58.100 0.047 0.000 1.025 913 Y CB 1.999 40.486 38.460 0.045 0.000 1.266 913 Y HN -0.284 nan 8.280 nan 0.000 0.448 914 L N 4.022 125.372 121.223 0.212 0.000 2.422 914 L HA 0.652 4.992 4.340 0.000 0.000 0.264 914 L C -0.872 176.079 176.870 0.136 0.000 0.984 914 L CA -1.312 53.607 54.840 0.132 0.000 0.819 914 L CB 2.019 44.133 42.059 0.092 0.000 1.330 914 L HN 0.572 nan 8.230 nan 0.000 0.410 915 K N 1.024 121.492 120.400 0.113 0.000 2.533 915 K HA 0.763 5.083 4.320 0.000 0.000 0.272 915 K C -1.231 175.454 176.600 0.141 0.000 0.985 915 K CA -0.739 55.628 56.287 0.133 0.000 0.876 915 K CB 2.355 34.937 32.500 0.138 0.000 1.452 915 K HN 0.474 nan 8.250 nan 0.000 0.439 916 T N 1.435 116.090 114.554 0.169 0.000 2.879 916 T HA 0.228 4.578 4.350 0.000 0.000 0.290 916 T C -0.552 174.246 174.700 0.163 0.000 0.993 916 T CA -0.618 61.606 62.100 0.208 0.000 0.975 916 T CB 1.295 70.328 68.868 0.276 0.000 0.981 916 T HN 0.168 nan 8.240 nan 0.000 0.439 917 K N 2.993 123.499 120.400 0.177 0.000 2.083 917 K HA 0.176 4.496 4.320 0.000 0.000 0.246 917 K C 1.689 178.307 176.600 0.029 0.000 1.160 917 K CA 0.274 56.637 56.287 0.127 0.000 1.060 917 K CB -0.385 32.226 32.500 0.184 0.000 1.417 917 K HN 0.971 nan 8.250 nan 0.000 0.329 918 G N 4.068 112.856 108.800 -0.020 0.000 3.336 918 G HA2 -0.487 3.473 3.960 0.000 0.000 0.378 918 G HA3 -0.487 3.473 3.960 0.000 0.000 0.378 918 G C 0.999 175.726 174.900 -0.289 0.000 2.092 918 G CA 1.662 46.692 45.100 -0.117 0.000 2.370 918 G HN 0.711 nan 8.290 nan 0.000 0.944 919 D N -0.651 119.599 120.400 -0.250 0.000 1.319 919 D HA 0.087 4.727 4.640 0.000 0.000 0.277 919 D C 1.639 177.545 176.300 -0.656 0.000 1.308 919 D CA 1.420 55.187 54.000 -0.389 0.000 1.078 919 D CB -0.300 40.492 40.800 -0.013 0.000 2.027 919 D HN 0.250 nan 8.370 nan 0.000 0.622 920 F N -1.007 118.955 119.950 0.020 0.000 2.746 920 F HA 0.328 4.854 4.527 -0.001 0.000 0.320 920 F C -0.064 175.989 175.800 0.421 0.000 1.097 920 F CA -0.484 57.636 58.000 0.200 0.000 1.195 920 F CB 0.448 39.585 39.000 0.228 0.000 1.056 920 F HN 0.034 nan 8.300 nan 0.000 0.562 921 I N 1.867 122.676 120.570 0.397 0.000 2.677 921 I HA 0.600 4.770 4.170 0.000 0.000 0.305 921 I C -0.531 175.745 176.117 0.264 0.000 0.988 921 I CA -1.078 60.405 61.300 0.306 0.000 1.260 921 I CB 1.330 39.473 38.000 0.239 0.000 1.410 921 I HN -0.080 nan 8.210 nan 0.000 0.523 922 L N 2.234 123.533 121.223 0.127 0.000 2.710 922 L HA 0.754 5.094 4.340 0.000 0.000 0.260 922 L C -0.976 175.843 176.870 -0.084 0.000 0.993 922 L CA -0.762 54.109 54.840 0.051 0.000 0.877 922 L CB 1.229 43.327 42.059 0.066 0.000 1.461 922 L HN 0.319 nan 8.230 nan 0.000 0.413 923 V N -0.522 119.343 119.914 -0.082 0.000 3.267 923 V HA 1.057 5.177 4.120 0.000 0.000 0.317 923 V C 0.478 176.560 176.094 -0.020 0.000 1.131 923 V CA 0.136 62.362 62.300 -0.123 0.000 1.031 923 V CB 1.545 33.285 31.823 -0.139 0.000 1.159 923 V HN 1.354 nan 8.190 nan 0.000 0.454 924 G N 0.979 109.777 108.800 -0.003 0.000 2.301 924 G HA2 0.477 4.437 3.960 0.000 0.000 0.290 924 G HA3 0.477 4.437 3.960 0.000 0.000 0.290 924 G C -1.733 173.177 174.900 0.018 0.000 1.669 924 G CA -0.039 45.086 45.100 0.042 0.000 0.945 924 G HN 1.054 nan 8.290 nan 0.000 0.710 925 D N -0.612 119.795 120.400 0.011 0.000 2.526 925 D HA 0.185 4.825 4.640 0.000 0.000 0.123 925 D C -1.318 174.960 176.300 -0.036 0.000 0.757 925 D CA -0.397 53.580 54.000 -0.038 0.000 1.317 925 D CB 0.123 40.892 40.800 -0.052 0.000 5.040 925 D HN 0.991 nan 8.370 nan 0.000 0.754 926 L N 5.282 126.441 121.223 -0.106 0.000 2.365 926 L HA 0.673 5.013 4.340 0.000 0.000 0.267 926 L C 2.101 178.845 176.870 -0.209 0.000 1.033 926 L CA 0.387 55.156 54.840 -0.118 0.000 0.802 926 L CB 1.030 42.979 42.059 -0.183 0.000 1.267 926 L HN 0.829 nan 8.230 nan 0.000 0.457 927 M N -0.144 119.275 119.600 -0.301 0.000 2.753 927 M HA -0.445 4.035 4.480 0.000 0.000 0.128 927 M C 1.006 176.958 176.300 -0.581 0.000 0.721 927 M CA 2.416 57.281 55.300 -0.724 0.000 0.485 927 M CB -0.457 31.618 32.600 -0.875 0.000 1.821 927 M HN 0.843 nan 8.290 nan 0.000 0.253 928 R N -0.041 120.259 120.500 -0.333 0.000 1.966 928 R HA 0.137 4.477 4.340 0.000 0.000 0.170 928 R C 1.565 177.744 176.300 -0.202 0.000 1.036 928 R CA 2.137 58.089 56.100 -0.246 0.000 1.316 928 R CB 0.038 30.219 30.300 -0.198 0.000 0.696 928 R HN 0.588 nan 8.270 nan 0.000 0.572 929 S N -2.914 112.707 115.700 -0.133 0.000 6.205 929 S HA 0.298 4.768 4.470 0.000 0.000 0.117 929 S C -1.283 173.326 174.600 0.015 0.000 1.381 929 S CA -0.176 57.998 58.200 -0.043 0.000 1.069 929 S CB 0.078 63.219 63.200 -0.098 0.000 1.846 929 S HN 0.082 nan 8.310 nan 0.000 0.610 930 V N 2.012 121.915 119.914 -0.018 0.000 3.141 930 V HA 0.910 5.030 4.120 0.000 0.000 0.312 930 V C -1.717 174.305 176.094 -0.120 0.000 1.157 930 V CA -0.251 62.039 62.300 -0.016 0.000 1.041 930 V CB 1.897 33.764 31.823 0.073 0.000 1.071 930 V HN 0.944 nan 8.190 nan 0.000 0.441 931 L N 2.257 123.401 121.223 -0.132 0.000 2.545 931 L HA 0.776 5.116 4.340 0.000 0.000 0.258 931 L C -2.051 174.688 176.870 -0.218 0.000 0.942 931 L CA -0.455 54.283 54.840 -0.171 0.000 0.855 931 L CB 1.707 43.694 42.059 -0.121 0.000 1.374 931 L HN 0.526 nan 8.230 nan 0.000 0.411 932 L N 3.993 125.075 121.223 -0.234 0.000 2.331 932 L HA 0.935 5.275 4.340 0.000 0.000 0.275 932 L C -1.435 175.346 176.870 -0.148 0.000 1.022 932 L CA -0.506 54.168 54.840 -0.277 0.000 0.812 932 L CB 1.626 43.538 42.059 -0.244 0.000 1.257 932 L HN 0.944 nan 8.230 nan 0.000 0.435 933 L N 4.248 125.416 121.223 -0.092 0.000 2.611 933 L HA 0.853 5.193 4.340 0.000 0.000 0.260 933 L C -1.531 175.386 176.870 0.077 0.000 0.924 933 L CA -0.219 54.602 54.840 -0.032 0.000 0.901 933 L CB 1.419 43.438 42.059 -0.066 0.000 1.369 933 L HN 0.796 nan 8.230 nan 0.000 0.415 934 A N 3.662 126.550 122.820 0.115 0.000 2.337 934 A HA 0.708 5.028 4.320 0.000 0.000 0.331 934 A C -1.857 175.906 177.584 0.298 0.000 1.137 934 A CA -0.473 51.698 52.037 0.222 0.000 0.807 934 A CB 0.971 20.064 19.000 0.156 0.000 1.250 934 A HN 0.884 nan 8.150 nan 0.000 0.468 935 Y N 1.512 122.021 120.300 0.347 0.000 2.353 935 Y HA 0.438 4.988 4.550 -0.000 0.000 0.340 935 Y C -0.044 175.919 175.900 0.105 0.000 0.972 935 Y CA -0.350 57.948 58.100 0.331 0.000 1.157 935 Y CB 0.924 39.796 38.460 0.687 0.000 1.157 935 Y HN 0.561 nan 8.280 nan 0.000 0.495 936 K N 9.140 129.195 120.400 -0.574 0.000 2.273 936 K HA 0.170 4.490 4.320 0.000 0.000 0.287 936 K C -2.123 173.989 176.600 -0.813 0.000 1.089 936 K CA -1.554 54.405 56.287 -0.547 0.000 0.909 936 K CB 1.060 33.352 32.500 -0.347 0.000 1.123 936 K HN 0.501 nan 8.250 nan 0.000 0.473 937 P HA -0.209 nan 4.420 nan 0.000 0.212 937 P C 1.273 178.420 177.300 -0.256 0.000 1.178 937 P CA 1.336 64.186 63.100 -0.418 0.000 0.915 937 P CB 0.128 31.606 31.700 -0.371 0.000 0.788 938 M N -0.724 118.749 119.600 -0.211 0.000 2.080 938 M HA -0.158 4.322 4.480 0.000 0.000 0.260 938 M C 1.859 178.087 176.300 -0.120 0.000 1.068 938 M CA 1.746 56.970 55.300 -0.126 0.000 1.109 938 M CB -1.850 30.684 32.600 -0.110 0.000 1.342 938 M HN 0.012 nan 8.290 nan 0.000 0.405 939 E N -0.255 119.840 120.200 -0.175 0.000 2.268 939 E HA 0.002 4.352 4.350 0.000 0.000 0.195 939 E C 1.016 177.541 176.600 -0.124 0.000 0.995 939 E CA 0.814 57.124 56.400 -0.150 0.000 0.836 939 E CB -0.319 29.267 29.700 -0.190 0.000 0.763 939 E HN 0.689 nan 8.360 nan 0.000 0.491 940 G N 2.059 110.755 108.800 -0.173 0.000 2.338 940 G HA2 -0.316 3.644 3.960 0.000 0.000 0.296 940 G HA3 -0.316 3.644 3.960 0.000 0.000 0.296 940 G C -0.114 174.786 174.900 -0.000 0.000 1.040 940 G CA 0.899 45.986 45.100 -0.021 0.000 1.004 940 G HN 0.352 nan 8.290 nan 0.000 0.509 941 N N -1.497 117.023 118.700 -0.299 0.000 2.610 941 N HA 0.681 5.421 4.740 0.000 0.000 0.264 941 N C -0.362 175.124 175.510 -0.040 0.000 1.348 941 N CA -1.184 51.825 53.050 -0.068 0.000 0.819 941 N CB 1.461 39.860 38.487 -0.147 0.000 1.521 941 N HN 0.340 nan 8.380 nan 0.000 0.497 942 F N 0.512 120.484 119.950 0.036 0.000 2.404 942 F HA 0.522 5.049 4.527 0.001 0.000 0.345 942 F C -0.114 175.675 175.800 -0.019 0.000 1.110 942 F CA -0.596 57.435 58.000 0.051 0.000 1.130 942 F CB 0.934 39.982 39.000 0.080 0.000 1.129 942 F HN 0.295 nan 8.300 nan 0.000 0.500 943 E N 3.687 123.813 120.200 -0.123 0.000 2.216 943 E HA 0.164 4.514 4.350 0.000 0.000 0.260 943 E C -1.294 175.254 176.600 -0.087 0.000 0.880 943 E CA -0.676 55.603 56.400 -0.202 0.000 0.765 943 E CB 1.255 30.865 29.700 -0.151 0.000 1.174 943 E HN 0.864 nan 8.360 nan 0.000 0.417 944 E N 5.962 126.101 120.200 -0.103 0.000 2.159 944 E HA 0.041 4.391 4.350 0.000 0.000 0.272 944 E C 0.586 177.146 176.600 -0.067 0.000 1.138 944 E CA -0.056 56.274 56.400 -0.118 0.000 0.915 944 E CB 0.531 30.149 29.700 -0.136 0.000 1.028 944 E HN 0.692 nan 8.360 nan 0.000 0.423 945 I N 2.944 123.482 120.570 -0.052 0.000 2.270 945 I HA 0.017 4.187 4.170 0.000 0.000 0.239 945 I C 1.030 177.149 176.117 0.003 0.000 1.080 945 I CA 0.704 61.997 61.300 -0.012 0.000 1.383 945 I CB -0.045 37.964 38.000 0.015 0.000 1.097 945 I HN 0.486 nan 8.210 nan 0.000 0.420 946 A N 0.234 123.040 122.820 -0.023 0.000 2.552 946 A HA 0.801 5.121 4.320 0.000 0.000 0.288 946 A C -0.855 176.661 177.584 -0.113 0.000 1.193 946 A CA -0.446 51.584 52.037 -0.012 0.000 0.713 946 A CB 2.043 21.073 19.000 0.050 0.000 1.305 946 A HN 0.233 nan 8.150 nan 0.000 0.424 947 R N 0.077 120.468 120.500 -0.181 0.000 2.629 947 R HA 0.505 4.845 4.340 0.000 0.000 0.266 947 R C -2.277 173.732 176.300 -0.486 0.000 1.051 947 R CA -0.320 55.523 56.100 -0.429 0.000 0.895 947 R CB 1.626 31.494 30.300 -0.720 0.000 1.246 947 R HN 0.713 nan 8.270 nan 0.000 0.459 948 D N 2.837 122.992 120.400 -0.407 0.000 2.198 948 D HA 0.255 4.895 4.640 0.000 0.000 0.245 948 D C -1.024 175.028 176.300 -0.412 0.000 1.079 948 D CA -0.257 53.596 54.000 -0.245 0.000 0.854 948 D CB 0.645 41.392 40.800 -0.088 0.000 1.148 948 D HN 0.469 nan 8.370 nan 0.000 0.456 949 F N 2.906 122.792 119.950 -0.107 0.000 2.434 949 F HA 0.370 4.896 4.527 -0.000 0.000 0.316 949 F C -0.162 175.580 175.800 -0.096 0.000 1.222 949 F CA -0.746 57.191 58.000 -0.106 0.000 1.207 949 F CB 0.005 38.949 39.000 -0.094 0.000 1.466 949 F HN 0.061 nan 8.300 nan 0.000 0.545 950 N N 1.110 119.790 118.700 -0.033 0.000 2.262 950 N HA 0.426 5.166 4.740 0.000 0.000 0.295 950 N C -2.731 172.732 175.510 -0.079 0.000 1.161 950 N CA -1.951 51.063 53.050 -0.059 0.000 0.767 950 N CB 1.719 40.119 38.487 -0.145 0.000 1.499 950 N HN -0.164 nan 8.380 nan 0.000 0.476 951 P HA 0.182 nan 4.420 nan 0.000 0.220 951 P C -1.119 176.173 177.300 -0.014 0.000 1.806 951 P CA -0.248 62.815 63.100 -0.062 0.000 0.976 951 P CB -0.367 31.345 31.700 0.021 0.000 1.952 952 N N 1.145 119.819 118.700 -0.044 0.000 2.408 952 N HA 0.062 4.802 4.740 0.000 0.000 0.257 952 N C -0.489 175.065 175.510 0.072 0.000 1.064 952 N CA -0.064 53.032 53.050 0.076 0.000 0.952 952 N CB 0.406 38.925 38.487 0.053 0.000 1.093 952 N HN 0.185 nan 8.380 nan 0.000 0.490 953 W N 3.230 124.555 121.300 0.041 0.000 2.481 953 W HA 0.263 4.923 4.660 0.000 0.000 0.320 953 W C 0.327 176.891 176.519 0.076 0.000 1.209 953 W CA -0.600 56.778 57.345 0.054 0.000 1.400 953 W CB 0.138 29.621 29.460 0.040 0.000 1.361 953 W HN 0.165 nan 8.180 nan 0.000 0.456 954 M N 2.485 122.252 119.600 0.279 0.000 2.243 954 M HA 0.056 4.536 4.480 0.000 0.000 0.341 954 M C 1.326 177.755 176.300 0.214 0.000 1.130 954 M CA 0.270 55.712 55.300 0.238 0.000 1.162 954 M CB 0.832 33.624 32.600 0.319 0.000 1.497 954 M HN 0.565 nan 8.290 nan 0.000 0.456 955 S N 0.111 115.728 115.700 -0.138 0.000 2.663 955 S HA 0.602 5.072 4.470 0.000 0.000 0.247 955 S C 0.273 174.413 174.600 -0.767 0.000 1.074 955 S CA 0.299 58.316 58.200 -0.306 0.000 0.955 955 S CB 0.560 63.429 63.200 -0.551 0.000 0.901 955 S HN 0.868 nan 8.310 nan 0.000 0.505 956 A N 0.213 122.635 122.820 -0.664 0.000 2.612 956 A HA 0.796 5.116 4.320 0.000 0.000 0.293 956 A C -1.569 175.966 177.584 -0.082 0.000 1.075 956 A CA -0.614 51.118 52.037 -0.509 0.000 0.680 956 A CB 1.674 20.374 19.000 -0.501 0.000 1.279 956 A HN 0.691 nan 8.150 nan 0.000 0.411 957 V N 0.431 120.410 119.914 0.107 0.000 2.969 957 V HA 0.783 4.903 4.120 0.000 0.000 0.304 957 V C -1.296 174.793 176.094 -0.008 0.000 1.192 957 V CA -0.321 61.987 62.300 0.014 0.000 0.962 957 V CB 2.225 34.057 31.823 0.016 0.000 1.045 957 V HN 1.122 nan 8.190 nan 0.000 0.428 958 E N 2.634 122.708 120.200 -0.210 0.000 2.363 958 E HA 0.536 4.886 4.350 0.000 0.000 0.281 958 E C -1.735 174.833 176.600 -0.053 0.000 0.953 958 E CA -0.413 55.873 56.400 -0.191 0.000 0.778 958 E CB 1.893 31.272 29.700 -0.534 0.000 1.220 958 E HN 0.577 nan 8.360 nan 0.000 0.431 959 I N 6.230 126.870 120.570 0.116 0.000 2.301 959 I HA 0.148 4.318 4.170 0.000 0.000 0.292 959 I C 1.064 177.270 176.117 0.149 0.000 1.046 959 I CA -0.133 61.306 61.300 0.231 0.000 1.282 959 I CB 0.623 38.810 38.000 0.312 0.000 1.409 959 I HN 0.611 nan 8.210 nan 0.000 0.484 960 L N 5.314 126.535 121.223 -0.003 0.000 2.072 960 L HA -0.033 4.307 4.340 0.000 0.000 0.205 960 L C 0.384 177.255 176.870 0.000 0.000 1.079 960 L CA 1.045 55.879 54.840 -0.010 0.000 0.752 960 L CB -0.428 41.558 42.059 -0.121 0.000 0.906 960 L HN 0.743 nan 8.230 nan 0.000 0.436 961 D N -4.343 115.994 120.400 -0.104 0.000 2.970 961 D HA 0.035 4.675 4.640 0.000 0.000 0.344 961 D C 0.042 176.249 176.300 -0.156 0.000 1.365 961 D CA -0.562 53.378 54.000 -0.100 0.000 0.910 961 D CB 0.191 40.925 40.800 -0.111 0.000 1.445 961 D HN -0.237 nan 8.370 nan 0.000 0.532 962 D N -0.432 119.907 120.400 -0.101 0.000 2.116 962 D HA -0.150 4.490 4.640 0.000 0.000 0.193 962 D C 0.352 176.538 176.300 -0.190 0.000 0.998 962 D CA 1.434 55.400 54.000 -0.058 0.000 0.836 962 D CB -0.039 40.748 40.800 -0.022 0.000 0.951 962 D HN 0.431 nan 8.370 nan 0.000 0.449 963 D N -0.073 120.141 120.400 -0.310 0.000 2.433 963 D HA 0.098 4.738 4.640 0.000 0.000 0.211 963 D C -0.007 175.904 176.300 -0.648 0.000 1.114 963 D CA -0.061 53.711 54.000 -0.380 0.000 0.837 963 D CB 0.609 41.305 40.800 -0.174 0.000 0.984 963 D HN 0.173 nan 8.370 nan 0.000 0.505 964 N N 0.698 118.930 118.700 -0.781 0.000 2.407 964 N HA 0.302 5.043 4.740 0.000 0.000 0.277 964 N C -1.257 173.747 175.510 -0.842 0.000 0.995 964 N CA -0.324 52.313 53.050 -0.688 0.000 0.903 964 N CB 1.300 39.575 38.487 -0.355 0.000 1.218 964 N HN -0.191 nan 8.380 nan 0.000 0.487 965 F N 2.450 122.366 119.950 -0.057 0.000 2.477 965 F HA 0.405 4.932 4.527 -0.001 0.000 0.335 965 F C 0.016 175.713 175.800 -0.172 0.000 1.130 965 F CA -0.922 57.023 58.000 -0.090 0.000 0.948 965 F CB 1.594 40.570 39.000 -0.039 0.000 1.154 965 F HN 0.117 nan 8.300 nan 0.000 0.439 966 L N 3.020 124.162 121.223 -0.135 0.000 2.325 966 L HA 0.927 5.267 4.340 0.000 0.000 0.278 966 L C -0.449 176.091 176.870 -0.549 0.000 1.023 966 L CA -0.069 54.539 54.840 -0.386 0.000 0.811 966 L CB 1.466 43.233 42.059 -0.487 0.000 1.249 966 L HN 0.808 nan 8.230 nan 0.000 0.431 967 G N 2.930 111.294 108.800 -0.728 0.000 2.733 967 G HA2 0.694 4.654 3.960 0.000 0.000 0.297 967 G HA3 0.694 4.654 3.960 0.000 0.000 0.297 967 G C -1.894 172.684 174.900 -0.536 0.000 1.422 967 G CA -0.198 44.513 45.100 -0.649 0.000 0.942 967 G HN 0.893 nan 8.290 nan 0.000 0.510 968 A N 1.099 123.825 122.820 -0.157 0.000 2.365 968 A HA 0.896 5.216 4.320 0.000 0.000 0.318 968 A C -0.334 177.151 177.584 -0.164 0.000 1.091 968 A CA -0.634 51.303 52.037 -0.165 0.000 0.763 968 A CB 1.972 20.808 19.000 -0.273 0.000 1.248 968 A HN 0.848 nan 8.150 nan 0.000 0.442 969 E N 1.539 121.644 120.200 -0.158 0.000 2.367 969 E HA 0.217 4.567 4.350 0.000 0.000 0.273 969 E C -0.888 175.569 176.600 -0.239 0.000 0.903 969 E CA -0.716 55.644 56.400 -0.067 0.000 0.764 969 E CB 1.192 30.992 29.700 0.168 0.000 1.252 969 E HN 0.503 nan 8.360 nan 0.000 0.446 970 N N 1.088 119.724 118.700 -0.107 0.000 2.696 970 N HA -0.059 4.681 4.740 0.000 0.000 0.196 970 N C 0.291 175.563 175.510 -0.397 0.000 1.220 970 N CA 1.247 54.259 53.050 -0.064 0.000 0.940 970 N CB 0.016 38.569 38.487 0.109 0.000 0.999 970 N HN 0.476 nan 8.380 nan 0.000 0.447 971 A N -0.775 121.735 122.820 -0.516 0.000 2.631 971 A HA 0.340 4.660 4.320 0.000 0.000 0.294 971 A C -0.086 177.056 177.584 -0.737 0.000 1.156 971 A CA -0.631 50.949 52.037 -0.762 0.000 0.963 971 A CB -0.601 18.195 19.000 -0.340 0.000 1.202 971 A HN 0.301 nan 8.150 nan 0.000 0.523 972 F N -1.162 118.664 119.950 -0.206 0.000 3.057 972 F HA -0.237 4.290 4.527 -0.000 0.000 0.287 972 F C 0.207 175.601 175.800 -0.676 0.000 0.834 972 F CA 0.352 58.118 58.000 -0.391 0.000 1.147 972 F CB -2.208 36.590 39.000 -0.337 0.000 1.245 972 F HN 0.400 nan 8.300 nan 0.000 0.509 973 N N 1.414 119.868 118.700 -0.410 0.000 2.417 973 N HA 0.773 5.513 4.740 0.000 0.000 0.300 973 N C -0.258 175.169 175.510 -0.139 0.000 1.102 973 N CA -0.593 52.228 53.050 -0.381 0.000 0.886 973 N CB 2.206 40.287 38.487 -0.676 0.000 1.203 973 N HN 0.106 nan 8.380 nan 0.000 0.496 974 L N 1.181 122.359 121.223 -0.074 0.000 2.334 974 L HA 0.658 4.998 4.340 0.000 0.000 0.270 974 L C -0.588 176.375 176.870 0.153 0.000 1.018 974 L CA -0.945 53.845 54.840 -0.083 0.000 0.811 974 L CB 0.886 42.776 42.059 -0.283 0.000 1.271 974 L HN 0.567 nan 8.230 nan 0.000 0.443 975 F N -0.552 119.433 119.950 0.058 0.000 2.713 975 F HA 0.799 5.326 4.527 -0.000 0.000 0.311 975 F C -1.567 174.323 175.800 0.150 0.000 1.141 975 F CA -1.088 56.987 58.000 0.126 0.000 0.939 975 F CB 1.222 40.293 39.000 0.118 0.000 1.325 975 F HN 0.010 nan 8.300 nan 0.000 0.453 976 V N 1.053 121.189 119.914 0.369 0.000 2.588 976 V HA 0.566 4.686 4.120 0.000 0.000 0.304 976 V C -0.714 175.526 176.094 0.243 0.000 1.042 976 V CA -0.753 61.659 62.300 0.187 0.000 0.877 976 V CB 1.428 33.299 31.823 0.079 0.000 0.996 976 V HN 1.125 nan 8.190 nan 0.000 0.425 977 C N 3.459 122.897 119.300 0.230 0.000 2.435 977 C HA 0.775 5.236 4.460 0.000 0.000 0.333 977 C C -0.017 175.054 174.990 0.135 0.000 1.202 977 C CA -0.425 58.737 59.018 0.241 0.000 1.830 977 C CB 1.384 29.339 27.740 0.357 0.000 2.326 977 C HN 0.954 nan 8.230 nan 0.000 0.507 978 Q N 1.314 121.176 119.800 0.104 0.000 2.379 978 Q HA 0.365 4.705 4.340 0.000 0.000 0.278 978 Q C -1.152 174.904 176.000 0.093 0.000 1.068 978 Q CA -0.630 55.187 55.803 0.022 0.000 0.816 978 Q CB 1.891 30.600 28.738 -0.049 0.000 1.387 978 Q HN 0.747 nan 8.270 nan 0.000 0.413 979 K N 1.200 121.661 120.400 0.102 0.000 2.270 979 K HA 0.223 4.543 4.320 0.000 0.000 0.276 979 K C -0.583 176.053 176.600 0.061 0.000 1.023 979 K CA -0.540 55.815 56.287 0.112 0.000 0.955 979 K CB 0.790 33.369 32.500 0.131 0.000 0.975 979 K HN 0.438 nan 8.250 nan 0.000 0.471 980 D N 0.919 121.359 120.400 0.067 0.000 2.423 980 D HA -0.079 4.561 4.640 0.000 0.000 0.238 980 D C -0.344 175.971 176.300 0.026 0.000 1.142 980 D CA 0.483 54.507 54.000 0.040 0.000 0.884 980 D CB 0.840 41.667 40.800 0.046 0.000 1.199 980 D HN 0.547 nan 8.370 nan 0.000 0.438 981 S N 1.179 116.885 115.700 0.010 0.000 2.438 981 S HA 0.612 5.082 4.470 0.000 0.000 0.227 981 S C -0.763 173.839 174.600 0.004 0.000 1.265 981 S CA -0.213 57.990 58.200 0.005 0.000 1.265 981 S CB -0.720 62.477 63.200 -0.006 0.000 0.987 981 S HN 0.540 nan 8.310 nan 0.000 0.502 982 A N 1.021 123.845 122.820 0.007 0.000 2.593 982 A HA 0.912 5.232 4.320 0.000 0.000 0.290 982 A C 0.060 177.646 177.584 0.003 0.000 1.126 982 A CA -0.433 51.605 52.037 0.002 0.000 0.695 982 A CB 0.559 19.557 19.000 -0.002 0.000 1.290 982 A HN 0.767 nan 8.150 nan 0.000 0.414 983 A N 0.057 122.876 122.820 -0.001 0.000 2.364 983 A HA 0.569 4.889 4.320 0.000 0.000 0.258 983 A C 1.150 178.732 177.584 -0.003 0.000 1.131 983 A CA 1.179 53.215 52.037 -0.002 0.000 0.800 983 A CB -0.780 18.217 19.000 -0.004 0.000 1.086 983 A HN 2.820 nan 8.150 nan 0.000 0.508 984 T N -2.943 111.609 114.554 -0.003 0.000 3.936 984 T HA -0.185 4.165 4.350 0.000 0.000 0.373 984 T C 0.453 175.155 174.700 0.003 0.000 0.759 984 T CA 1.390 63.487 62.100 -0.005 0.000 2.004 984 T CB -2.977 65.882 68.868 -0.014 0.000 1.792 984 T HN 2.191 nan 8.240 nan 0.000 0.827 985 T N -2.661 111.898 114.554 0.008 0.000 3.139 985 T HA 0.025 4.375 4.350 0.000 0.000 0.267 985 T C 1.053 175.768 174.700 0.025 0.000 1.164 985 T CA 1.104 63.215 62.100 0.018 0.000 1.075 985 T CB -0.114 68.763 68.868 0.015 0.000 0.904 985 T HN 0.575 nan 8.240 nan 0.000 0.540 986 D N 0.556 120.968 120.400 0.020 0.000 2.271 986 D HA 0.116 4.756 4.640 0.000 0.000 0.206 986 D C 2.016 178.343 176.300 0.046 0.000 0.967 986 D CA 0.583 54.600 54.000 0.028 0.000 0.867 986 D CB 0.199 41.007 40.800 0.014 0.000 0.960 986 D HN 0.495 nan 8.370 nan 0.000 0.509 987 E N 0.474 120.690 120.200 0.027 0.000 2.175 987 E HA 0.078 4.428 4.350 0.000 0.000 0.193 987 E C 1.572 178.184 176.600 0.019 0.000 0.962 987 E CA 0.566 56.971 56.400 0.008 0.000 0.981 987 E CB -0.031 29.636 29.700 -0.056 0.000 1.093 987 E HN 0.019 nan 8.360 nan 0.000 0.483 988 E N -0.002 120.191 120.200 -0.011 0.000 2.150 988 E HA -0.130 4.220 4.350 0.000 0.000 0.193 988 E C 1.834 178.475 176.600 0.069 0.000 0.985 988 E CA 0.827 57.229 56.400 0.003 0.000 0.814 988 E CB -0.002 29.689 29.700 -0.014 0.000 0.752 988 E HN -0.082 nan 8.360 nan 0.000 0.466 989 R N 0.763 121.304 120.500 0.068 0.000 2.313 989 R HA -0.038 4.302 4.340 0.000 0.000 0.199 989 R C 1.751 178.120 176.300 0.114 0.000 0.958 989 R CA 0.711 56.859 56.100 0.079 0.000 1.047 989 R CB 0.114 30.446 30.300 0.053 0.000 0.955 989 R HN 0.049 nan 8.270 nan 0.000 0.481 990 Q N -1.313 118.587 119.800 0.167 0.000 2.373 990 Q HA 0.091 4.431 4.340 0.000 0.000 0.210 990 Q C -0.323 175.864 176.000 0.311 0.000 0.913 990 Q CA 0.602 56.537 55.803 0.220 0.000 0.911 990 Q CB 0.424 29.311 28.738 0.247 0.000 1.040 990 Q HN 0.461 nan 8.270 nan 0.000 0.521 991 H N -0.040 119.132 119.070 0.169 0.000 2.483 991 H HA 0.406 4.962 4.556 -0.000 0.000 0.338 991 H C -0.877 174.541 175.328 0.149 0.000 1.152 991 H CA -0.882 55.314 56.048 0.246 0.000 1.264 991 H CB 1.275 31.167 29.762 0.218 0.000 1.510 991 H HN 0.058 nan 8.280 nan 0.000 0.530 992 L N 0.412 121.771 121.223 0.226 0.000 2.356 992 L HA 0.415 4.755 4.340 0.000 0.000 0.277 992 L C -0.488 176.468 176.870 0.143 0.000 0.996 992 L CA -1.205 53.733 54.840 0.164 0.000 0.822 992 L CB 1.484 43.637 42.059 0.156 0.000 1.256 992 L HN 0.369 nan 8.230 nan 0.000 0.413 993 Q N 1.696 121.562 119.800 0.110 0.000 2.288 993 Q HA 0.296 4.636 4.340 0.000 0.000 0.258 993 Q C -0.577 175.461 176.000 0.063 0.000 0.957 993 Q CA 0.267 56.114 55.803 0.072 0.000 0.919 993 Q CB 1.105 29.868 28.738 0.042 0.000 1.185 993 Q HN 0.612 nan 8.270 nan 0.000 0.408 994 E N 2.085 122.307 120.200 0.036 0.000 1.939 994 E HA -0.020 4.330 4.350 0.000 0.000 0.259 994 E C 0.540 177.157 176.600 0.028 0.000 1.259 994 E CA -0.068 56.356 56.400 0.041 0.000 0.971 994 E CB 0.178 29.828 29.700 -0.082 0.000 1.055 994 E HN 0.524 nan 8.360 nan 0.000 0.420 995 V N 0.690 120.630 119.914 0.042 0.000 3.623 995 V HA 0.244 4.364 4.120 0.000 0.000 0.271 995 V C 0.758 176.865 176.094 0.022 0.000 1.248 995 V CA 0.366 62.661 62.300 -0.010 0.000 1.156 995 V CB 0.232 32.009 31.823 -0.077 0.000 0.870 995 V HN 0.394 nan 8.190 nan 0.000 0.453 996 G N 0.422 109.305 108.800 0.137 0.000 2.701 996 G HA2 0.715 4.675 3.960 0.000 0.000 0.300 996 G HA3 0.715 4.675 3.960 0.000 0.000 0.300 996 G C -1.548 173.573 174.900 0.368 0.000 1.410 996 G CA -0.697 44.594 45.100 0.319 0.000 1.014 996 G HN 0.215 nan 8.290 nan 0.000 0.509 997 L N 1.447 122.880 121.223 0.350 0.000 2.493 997 L HA 0.727 5.067 4.340 0.000 0.000 0.265 997 L C -1.444 175.580 176.870 0.257 0.000 0.954 997 L CA -0.792 54.181 54.840 0.222 0.000 0.844 997 L CB 2.628 44.670 42.059 -0.029 0.000 1.302 997 L HN 0.620 nan 8.230 nan 0.000 0.405 998 F N 1.521 121.442 119.950 -0.049 0.000 2.669 998 F HA 0.331 4.859 4.527 0.000 0.000 0.315 998 F C -1.225 174.439 175.800 -0.227 0.000 1.109 998 F CA -0.563 57.287 58.000 -0.250 0.000 1.028 998 F CB 1.465 40.020 39.000 -0.743 0.000 1.287 998 F HN 0.553 nan 8.300 nan 0.000 0.452 999 H N 6.926 125.485 119.070 -0.852 0.000 2.690 999 H HA 0.369 4.925 4.556 0.000 0.000 0.289 999 H C 0.326 175.069 175.328 -0.975 0.000 1.089 999 H CA -0.282 55.310 56.048 -0.760 0.000 1.299 999 H CB 1.160 30.504 29.762 -0.697 0.000 1.405 999 H HN 0.834 nan 8.280 nan 0.000 0.463 1000 L N 4.019 124.826 121.223 -0.692 0.000 2.027 1000 L HA 0.019 4.359 4.340 0.000 0.000 0.206 1000 L C 1.459 178.120 176.870 -0.349 0.000 1.074 1000 L CA 1.680 56.312 54.840 -0.346 0.000 0.745 1000 L CB -0.374 41.589 42.059 -0.159 0.000 0.898 1000 L HN 1.100 nan 8.230 nan 0.000 0.433 1001 G N -0.086 108.443 108.800 -0.451 0.000 2.143 1001 G HA2 -0.202 3.758 3.960 0.000 0.000 0.249 1001 G HA3 -0.202 3.758 3.960 0.000 0.000 0.249 1001 G C -0.035 174.818 174.900 -0.077 0.000 0.981 1001 G CA 0.179 45.240 45.100 -0.064 0.000 0.665 1001 G HN 0.413 nan 8.290 nan 0.000 0.528 1002 E N -1.172 119.009 120.200 -0.031 0.000 2.343 1002 E HA 0.570 4.920 4.350 0.000 0.000 0.270 1002 E C -1.080 175.633 176.600 0.189 0.000 0.895 1002 E CA -1.032 55.395 56.400 0.045 0.000 0.767 1002 E CB 1.723 31.505 29.700 0.136 0.000 1.248 1002 E HN 0.115 nan 8.360 nan 0.000 0.440 1003 F N 1.774 121.798 119.950 0.122 0.000 2.424 1003 F HA 0.229 4.756 4.527 0.000 0.000 0.356 1003 F C -0.321 175.500 175.800 0.036 0.000 1.110 1003 F CA -0.485 57.623 58.000 0.179 0.000 1.161 1003 F CB 0.709 39.838 39.000 0.214 0.000 1.115 1003 F HN 0.052 nan 8.300 nan 0.000 0.507 1004 V N 7.411 127.094 119.914 -0.385 0.000 2.350 1004 V HA 0.160 4.280 4.120 0.000 0.000 0.276 1004 V C 0.297 176.201 176.094 -0.317 0.000 1.028 1004 V CA -0.287 61.820 62.300 -0.322 0.000 0.860 1004 V CB 1.246 32.692 31.823 -0.629 0.000 0.990 1004 V HN 0.863 nan 8.190 nan 0.000 0.453 1005 N N 2.900 121.542 118.700 -0.096 0.000 2.402 1005 N HA 0.135 4.875 4.740 0.000 0.000 0.174 1005 N C -0.005 175.424 175.510 -0.135 0.000 1.027 1005 N CA 0.309 53.333 53.050 -0.043 0.000 0.891 1005 N CB 1.084 39.624 38.487 0.088 0.000 1.016 1005 N HN 0.477 nan 8.380 nan 0.000 0.439 1006 V N 0.780 120.581 119.914 -0.189 0.000 2.668 1006 V HA 0.434 4.554 4.120 0.000 0.000 0.304 1006 V C -1.810 174.159 176.094 -0.209 0.000 1.071 1006 V CA -0.825 61.393 62.300 -0.137 0.000 0.894 1006 V CB 0.939 32.754 31.823 -0.013 0.000 1.008 1006 V HN -0.052 nan 8.190 nan 0.000 0.425 1007 F N 5.927 125.881 119.950 0.008 0.000 2.422 1007 F HA 0.816 5.343 4.527 0.001 0.000 0.333 1007 F C 0.421 176.223 175.800 0.004 0.000 1.095 1007 F CA -0.169 57.840 58.000 0.014 0.000 1.038 1007 F CB 1.670 40.628 39.000 -0.070 0.000 1.156 1007 F HN 0.885 nan 8.300 nan 0.000 0.483 1008 C N 0.896 120.317 119.300 0.201 0.000 3.090 1008 C HA 0.394 4.854 4.460 0.000 0.000 0.347 1008 C C -0.967 174.075 174.990 0.087 0.000 1.147 1008 C CA -1.043 58.051 59.018 0.127 0.000 1.305 1008 C CB 0.802 28.629 27.740 0.144 0.000 1.692 1008 C HN 0.819 nan 8.230 nan 0.000 0.506 1009 H N 1.453 120.593 119.070 0.116 0.000 2.929 1009 H HA 0.544 5.101 4.556 0.001 0.000 0.317 1009 H C 0.785 176.160 175.328 0.078 0.000 1.031 1009 H CA 2.224 58.324 56.048 0.086 0.000 1.466 1009 H CB 1.123 30.922 29.762 0.062 0.000 1.482 1009 H HN 1.316 nan 8.280 nan 0.000 0.561 1010 G N 1.033 109.939 108.800 0.177 0.000 2.315 1010 G HA2 0.272 4.232 3.960 0.000 0.000 0.294 1010 G HA3 0.272 4.232 3.960 0.000 0.000 0.294 1010 G C -1.496 173.458 174.900 0.091 0.000 1.300 1010 G CA -0.471 44.703 45.100 0.122 0.000 0.843 1010 G HN 0.576 nan 8.290 nan 0.000 0.527 1011 S N -1.621 114.120 115.700 0.068 0.000 2.537 1011 S HA 0.555 5.025 4.470 0.000 0.000 0.270 1011 S C 0.516 175.142 174.600 0.043 0.000 1.142 1011 S CA -0.626 57.607 58.200 0.055 0.000 0.870 1011 S CB 1.479 64.707 63.200 0.047 0.000 1.112 1011 S HN 0.705 nan 8.310 nan 0.000 0.466 1012 L N 3.259 124.507 121.223 0.041 0.000 2.509 1012 L HA 0.091 4.431 4.340 0.000 0.000 0.222 1012 L C 1.865 178.747 176.870 0.021 0.000 1.123 1012 L CA 0.315 55.175 54.840 0.032 0.000 0.856 1012 L CB -0.304 41.776 42.059 0.035 0.000 0.985 1012 L HN 0.641 nan 8.230 nan 0.000 0.456 1013 V N -3.544 116.380 119.914 0.017 0.000 2.300 1013 V HA -0.055 4.065 4.120 0.000 0.000 0.241 1013 V C 1.471 177.561 176.094 -0.007 0.000 1.034 1013 V CA -0.160 62.138 62.300 -0.003 0.000 1.021 1013 V CB -0.628 31.186 31.823 -0.015 0.000 0.662 1013 V HN 0.309 nan 8.190 nan 0.000 0.458 1014 M N 2.238 121.836 119.600 -0.003 0.000 2.210 1014 M HA -0.052 4.428 4.480 0.000 0.000 0.428 1014 M C 0.310 176.606 176.300 -0.007 0.000 1.344 1014 M CA 0.290 55.586 55.300 -0.007 0.000 0.770 1014 M CB -1.026 31.575 32.600 0.000 0.000 1.960 1014 M HN 0.732 nan 8.290 nan 0.000 0.521 1024 T N -1.092 113.210 114.554 -0.419 0.000 2.924 1024 T HA 0.663 5.013 4.350 0.000 0.000 0.291 1024 T C -0.737 173.852 174.700 -0.186 0.000 1.045 1024 T CA -0.494 61.414 62.100 -0.319 0.000 1.015 1024 T CB 2.914 71.578 68.868 -0.340 0.000 1.103 1024 T HN 0.333 nan 8.240 nan 0.000 0.496 1025 Q N 1.107 120.827 119.800 -0.132 0.000 2.330 1025 Q HA 0.552 4.892 4.340 0.000 0.000 0.269 1025 Q C -0.032 175.939 176.000 -0.048 0.000 1.022 1025 Q CA -0.299 55.456 55.803 -0.080 0.000 0.796 1025 Q CB 1.179 29.878 28.738 -0.066 0.000 1.271 1025 Q HN 1.650 nan 8.270 nan 0.000 0.450 1026 G N 1.647 110.434 108.800 -0.022 0.000 2.712 1026 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 1026 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 1026 G C -0.982 173.944 174.900 0.043 0.000 1.321 1026 G CA -0.203 44.912 45.100 0.025 0.000 0.813 1026 G HN 0.788 nan 8.290 nan 0.000 0.599 1027 S N -0.467 115.293 115.700 0.100 0.000 2.737 1027 S HA 0.585 5.055 4.470 0.000 0.000 0.269 1027 S C -0.585 174.082 174.600 0.112 0.000 1.150 1027 S CA -0.220 58.035 58.200 0.093 0.000 1.077 1027 S CB 1.377 64.622 63.200 0.076 0.000 1.075 1027 S HN 1.532 nan 8.310 nan 0.000 0.476 1028 V N 6.680 126.637 119.914 0.072 0.000 2.350 1028 V HA 0.496 4.616 4.120 0.000 0.000 0.285 1028 V C -0.167 176.026 176.094 0.166 0.000 1.014 1028 V CA -0.540 61.777 62.300 0.028 0.000 0.831 1028 V CB 1.296 33.041 31.823 -0.131 0.000 1.000 1028 V HN 0.804 nan 8.190 nan 0.000 0.433 1029 L N 5.920 127.231 121.223 0.146 0.000 2.399 1029 L HA 0.676 5.016 4.340 0.000 0.000 0.266 1029 L C -0.471 176.543 176.870 0.240 0.000 1.114 1029 L CA -0.275 54.642 54.840 0.128 0.000 0.804 1029 L CB 1.166 43.256 42.059 0.052 0.000 1.146 1029 L HN 0.725 nan 8.230 nan 0.000 0.451 1030 F N -0.257 119.714 119.950 0.034 0.000 2.608 1030 F HA 0.835 5.361 4.527 -0.000 0.000 0.309 1030 F C -0.321 175.419 175.800 -0.099 0.000 1.103 1030 F CA -0.829 57.123 58.000 -0.079 0.000 0.954 1030 F CB 1.189 40.080 39.000 -0.181 0.000 1.267 1030 F HN 0.382 nan 8.300 nan 0.000 0.444 1031 G N 0.752 109.564 108.800 0.021 0.000 2.453 1031 G HA2 0.646 4.606 3.960 0.000 0.000 0.323 1031 G HA3 0.646 4.606 3.960 0.000 0.000 0.323 1031 G C -1.296 173.637 174.900 0.056 0.000 1.198 1031 G CA -0.664 44.422 45.100 -0.024 0.000 0.959 1031 G HN 1.058 nan 8.290 nan 0.000 0.482 1032 T N -1.735 112.853 114.554 0.057 0.000 2.916 1032 T HA 0.398 4.748 4.350 0.000 0.000 0.292 1032 T C 1.211 175.969 174.700 0.097 0.000 1.055 1032 T CA -0.501 61.670 62.100 0.118 0.000 1.009 1032 T CB 1.555 70.510 68.868 0.144 0.000 1.118 1032 T HN 0.288 nan 8.240 nan 0.000 0.497 1033 V N 1.869 121.875 119.914 0.153 0.000 2.370 1033 V HA -0.216 3.904 4.120 0.000 0.000 0.252 1033 V C 2.211 178.322 176.094 0.028 0.000 1.068 1033 V CA 2.380 64.725 62.300 0.076 0.000 1.061 1033 V CB -1.119 30.730 31.823 0.043 0.000 0.656 1033 V HN 0.917 nan 8.190 nan 0.000 0.455 1034 N N -0.522 118.199 118.700 0.034 0.000 2.398 1034 N HA 0.226 4.966 4.740 0.000 0.000 0.188 1034 N C 1.175 176.686 175.510 0.001 0.000 1.122 1034 N CA 0.537 53.591 53.050 0.008 0.000 0.866 1034 N CB 0.479 38.967 38.487 0.002 0.000 0.970 1034 N HN 0.578 nan 8.380 nan 0.000 0.462 1035 G N 1.092 109.892 108.800 -0.000 0.000 2.149 1035 G HA2 -0.266 3.694 3.960 0.000 0.000 0.235 1035 G HA3 -0.266 3.694 3.960 0.000 0.000 0.235 1035 G C -0.080 174.802 174.900 -0.031 0.000 1.018 1035 G CA -0.218 44.870 45.100 -0.020 0.000 0.728 1035 G HN 0.239 nan 8.290 nan 0.000 0.508 1036 M N 0.841 120.426 119.600 -0.025 0.000 2.264 1036 M HA 0.683 5.163 4.480 0.000 0.000 0.352 1036 M C -0.268 175.949 176.300 -0.139 0.000 1.173 1036 M CA -0.575 54.695 55.300 -0.051 0.000 1.075 1036 M CB 0.820 33.421 32.600 0.002 0.000 1.621 1036 M HN 0.148 nan 8.290 nan 0.000 0.457 1037 I N 3.264 123.710 120.570 -0.207 0.000 2.441 1037 I HA 0.633 4.803 4.170 0.000 0.000 0.295 1037 I C 0.394 176.179 176.117 -0.553 0.000 0.994 1037 I CA -0.739 60.346 61.300 -0.357 0.000 1.144 1037 I CB 1.974 39.844 38.000 -0.217 0.000 1.314 1037 I HN 0.800 nan 8.210 nan 0.000 0.445 1038 G N 4.962 113.084 108.800 -1.131 0.000 2.730 1038 G HA2 0.752 4.712 3.960 0.000 0.000 0.289 1038 G HA3 0.752 4.712 3.960 0.000 0.000 0.289 1038 G C -1.927 172.562 174.900 -0.685 0.000 1.341 1038 G CA -0.497 43.868 45.100 -1.224 0.000 0.932 1038 G HN 0.421 nan 8.290 nan 0.000 0.481 1039 L N -0.002 121.160 121.223 -0.102 0.000 2.455 1039 L HA 0.787 5.127 4.340 0.000 0.000 0.264 1039 L C -1.273 175.771 176.870 0.289 0.000 0.968 1039 L CA -0.746 54.175 54.840 0.134 0.000 0.827 1039 L CB 2.265 44.363 42.059 0.066 0.000 1.317 1039 L HN 0.416 nan 8.230 nan 0.000 0.407 1040 V N 3.540 123.623 119.914 0.282 0.000 2.495 1040 V HA 0.827 4.947 4.120 0.000 0.000 0.298 1040 V C -0.051 176.112 176.094 0.115 0.000 1.031 1040 V CA -0.170 62.250 62.300 0.200 0.000 0.871 1040 V CB 1.848 33.766 31.823 0.160 0.000 0.988 1040 V HN 0.972 nan 8.190 nan 0.000 0.432 1041 T N 1.756 116.371 114.554 0.101 0.000 2.858 1041 T HA 0.618 4.968 4.350 0.000 0.000 0.285 1041 T C -0.343 174.348 174.700 -0.015 0.000 1.052 1041 T CA -0.736 61.380 62.100 0.026 0.000 1.009 1041 T CB 1.896 70.752 68.868 -0.021 0.000 1.241 1041 T HN 0.547 nan 8.240 nan 0.000 0.542 1042 S N 0.106 115.777 115.700 -0.048 0.000 2.664 1042 S HA 0.834 5.305 4.470 0.000 0.000 0.304 1042 S C -0.905 173.667 174.600 -0.047 0.000 1.099 1042 S CA -0.830 57.337 58.200 -0.054 0.000 1.003 1042 S CB 0.666 63.829 63.200 -0.062 0.000 1.092 1042 S HN 0.476 nan 8.310 nan 0.000 0.525 1043 L N 1.100 122.334 121.223 0.018 0.000 2.376 1043 L HA 0.548 4.888 4.340 0.000 0.000 0.258 1043 L C 0.141 177.074 176.870 0.104 0.000 1.013 1043 L CA -0.887 53.981 54.840 0.046 0.000 0.822 1043 L CB 2.336 44.484 42.059 0.149 0.000 1.388 1043 L HN 0.791 nan 8.230 nan 0.000 0.413 1044 S N -0.668 115.092 115.700 0.101 0.000 2.624 1044 S HA 0.098 4.568 4.470 0.000 0.000 0.263 1044 S C 0.911 175.451 174.600 -0.100 0.000 1.287 1044 S CA -0.320 57.932 58.200 0.087 0.000 0.990 1044 S CB 1.102 64.399 63.200 0.161 0.000 0.950 1044 S HN 0.781 nan 8.310 nan 0.000 0.561 1045 E N 1.379 121.423 120.200 -0.259 0.000 2.153 1045 E HA -0.177 4.174 4.350 0.000 0.000 0.194 1045 E C 1.742 178.180 176.600 -0.269 0.000 0.988 1045 E CA 1.833 57.860 56.400 -0.622 0.000 0.811 1045 E CB -0.965 28.535 29.700 -0.332 0.000 0.746 1045 E HN 0.719 nan 8.360 nan 0.000 0.466 1046 S N -0.076 115.553 115.700 -0.120 0.000 2.362 1046 S HA -0.092 4.378 4.470 0.000 0.000 0.221 1046 S C 1.931 176.423 174.600 -0.180 0.000 1.032 1046 S CA 0.584 58.696 58.200 -0.147 0.000 0.973 1046 S CB -1.087 62.009 63.200 -0.173 0.000 0.849 1046 S HN 0.389 nan 8.310 nan 0.000 0.465 1047 W N 1.151 122.401 121.300 -0.083 0.000 2.332 1047 W HA -0.102 4.557 4.660 -0.001 0.000 0.321 1047 W C 2.476 178.975 176.519 -0.034 0.000 1.219 1047 W CA 1.276 58.586 57.345 -0.058 0.000 1.277 1047 W CB -1.020 28.409 29.460 -0.052 0.000 1.161 1047 W HN 0.332 nan 8.180 nan 0.000 0.476 1048 Y N 1.941 122.279 120.300 0.063 0.000 2.062 1048 Y HA -0.410 4.140 4.550 0.001 0.000 0.276 1048 Y C 2.228 178.111 175.900 -0.029 0.000 1.189 1048 Y CA 2.467 60.559 58.100 -0.014 0.000 1.130 1048 Y CB -0.930 37.380 38.460 -0.250 0.000 0.959 1048 Y HN -0.084 nan 8.280 nan 0.000 0.499 1049 N N 0.395 119.067 118.700 -0.047 0.000 2.142 1049 N HA -0.201 4.539 4.740 0.000 0.000 0.186 1049 N C 2.152 177.575 175.510 -0.144 0.000 1.023 1049 N CA 1.367 54.350 53.050 -0.111 0.000 0.852 1049 N CB -0.815 37.643 38.487 -0.048 0.000 0.998 1049 N HN 0.476 nan 8.380 nan 0.000 0.424 1050 L N 0.958 122.085 121.223 -0.160 0.000 2.013 1050 L HA -0.169 4.171 4.340 0.000 0.000 0.212 1050 L C 1.986 178.778 176.870 -0.131 0.000 1.073 1050 L CA 1.349 56.077 54.840 -0.186 0.000 0.753 1050 L CB -0.241 41.627 42.059 -0.319 0.000 0.890 1050 L HN 0.147 nan 8.230 nan 0.000 0.432 1051 L N -0.906 120.270 121.223 -0.079 0.000 2.109 1051 L HA -0.237 4.103 4.340 0.000 0.000 0.207 1051 L C 2.520 179.320 176.870 -0.117 0.000 1.086 1051 L CA 0.725 55.545 54.840 -0.034 0.000 0.760 1051 L CB -0.373 41.745 42.059 0.098 0.000 0.910 1051 L HN 0.357 nan 8.230 nan 0.000 0.437 1052 L N 0.048 121.121 121.223 -0.250 0.000 2.012 1052 L HA -0.298 4.042 4.340 0.000 0.000 0.210 1052 L C 2.089 178.885 176.870 -0.124 0.000 1.073 1052 L CA 1.941 56.623 54.840 -0.263 0.000 0.748 1052 L CB -0.182 41.635 42.059 -0.404 0.000 0.891 1052 L HN 0.333 nan 8.230 nan 0.000 0.431 1053 D N -0.379 119.953 120.400 -0.113 0.000 2.087 1053 D HA -0.301 4.339 4.640 0.000 0.000 0.192 1053 D C 2.263 178.526 176.300 -0.061 0.000 0.993 1053 D CA 1.645 55.600 54.000 -0.074 0.000 0.828 1053 D CB -0.078 40.672 40.800 -0.082 0.000 0.968 1053 D HN 0.205 nan 8.370 nan 0.000 0.448 1054 M N 0.016 119.569 119.600 -0.078 0.000 2.435 1054 M HA -0.186 4.294 4.480 0.000 0.000 0.262 1054 M C 1.893 178.168 176.300 -0.043 0.000 1.065 1054 M CA 1.214 56.468 55.300 -0.075 0.000 1.076 1054 M CB 0.052 32.578 32.600 -0.123 0.000 1.403 1054 M HN 0.148 nan 8.290 nan 0.000 0.454 1055 Q N -0.279 119.495 119.800 -0.044 0.000 2.123 1055 Q HA -0.112 4.228 4.340 0.000 0.000 0.196 1055 Q C 1.372 177.348 176.000 -0.040 0.000 0.958 1055 Q CA 1.503 57.277 55.803 -0.049 0.000 0.841 1055 Q CB 0.153 28.863 28.738 -0.045 0.000 0.915 1055 Q HN 0.632 nan 8.270 nan 0.000 0.455 1056 N N -0.124 118.568 118.700 -0.013 0.000 2.142 1056 N HA -0.105 4.635 4.740 0.000 0.000 0.186 1056 N C 1.597 177.119 175.510 0.019 0.000 1.023 1056 N CA 0.890 53.948 53.050 0.013 0.000 0.852 1056 N CB 0.028 38.528 38.487 0.022 0.000 0.998 1056 N HN 0.062 nan 8.380 nan 0.000 0.424 1057 R N 0.706 121.214 120.500 0.012 0.000 2.080 1057 R HA -0.068 4.272 4.340 0.000 0.000 0.236 1057 R C 2.086 178.414 176.300 0.046 0.000 1.137 1057 R CA 1.072 57.188 56.100 0.027 0.000 0.943 1057 R CB -0.617 29.693 30.300 0.017 0.000 0.846 1057 R HN 0.205 nan 8.270 nan 0.000 0.431 1058 L N 0.966 122.218 121.223 0.048 0.000 2.079 1058 L HA -0.238 4.102 4.340 0.000 0.000 0.210 1058 L C 1.954 178.861 176.870 0.062 0.000 1.081 1058 L CA 1.101 55.986 54.840 0.074 0.000 0.752 1058 L CB -0.451 41.654 42.059 0.076 0.000 0.896 1058 L HN 0.271 nan 8.230 nan 0.000 0.433 1059 N N 0.186 118.906 118.700 0.033 0.000 2.104 1059 N HA -0.201 4.539 4.740 0.000 0.000 0.190 1059 N C 1.739 177.302 175.510 0.087 0.000 1.024 1059 N CA 1.319 54.406 53.050 0.062 0.000 0.853 1059 N CB -0.170 38.353 38.487 0.060 0.000 1.008 1059 N HN 0.371 nan 8.380 nan 0.000 0.424 1060 K N 0.398 120.840 120.400 0.069 0.000 2.097 1060 K HA -0.042 4.278 4.320 0.000 0.000 0.206 1060 K C 2.030 178.667 176.600 0.061 0.000 1.049 1060 K CA 0.889 57.214 56.287 0.063 0.000 0.933 1060 K CB 0.002 32.533 32.500 0.052 0.000 0.717 1060 K HN -0.004 nan 8.250 nan 0.000 0.442 1061 V N 1.492 121.445 119.914 0.065 0.000 2.283 1061 V HA -0.107 4.013 4.120 0.000 0.000 0.243 1061 V C 1.314 177.443 176.094 0.059 0.000 1.039 1061 V CA 0.881 63.217 62.300 0.060 0.000 1.016 1061 V CB -0.285 31.581 31.823 0.071 0.000 0.650 1061 V HN 0.184 nan 8.190 nan 0.000 0.449 1062 I N 1.533 122.150 120.570 0.077 0.000 2.517 1062 I HA 0.041 4.211 4.170 0.000 0.000 0.285 1062 I C 0.585 176.745 176.117 0.071 0.000 1.106 1062 I CA 0.418 61.765 61.300 0.078 0.000 1.402 1062 I CB 0.239 38.309 38.000 0.117 0.000 1.399 1062 I HN 0.201 nan 8.210 nan 0.000 0.535 1063 K N 5.275 125.694 120.400 0.032 0.000 2.412 1063 K HA 0.190 4.510 4.320 0.000 0.000 0.281 1063 K C 0.156 176.749 176.600 -0.012 0.000 1.027 1063 K CA -0.169 56.123 56.287 0.008 0.000 0.989 1063 K CB 0.639 33.127 32.500 -0.018 0.000 0.935 1063 K HN 0.649 nan 8.250 nan 0.000 0.475 1064 S N 0.916 116.608 115.700 -0.014 0.000 2.454 1064 S HA 0.265 4.735 4.470 0.000 0.000 0.306 1064 S C 0.042 174.579 174.600 -0.106 0.000 1.100 1064 S CA -1.087 57.067 58.200 -0.076 0.000 1.087 1064 S CB 1.123 64.344 63.200 0.036 0.000 1.019 1064 S HN 0.395 nan 8.310 nan 0.000 0.480 1065 V N 2.570 122.387 119.914 -0.163 0.000 2.509 1065 V HA 0.538 4.658 4.120 0.000 0.000 0.297 1065 V C 1.586 177.619 176.094 -0.103 0.000 1.014 1065 V CA 0.506 62.730 62.300 -0.126 0.000 1.127 1065 V CB -0.728 31.009 31.823 -0.143 0.000 0.925 1065 V HN 1.869 nan 8.190 nan 0.000 0.480 1066 G N 3.038 111.794 108.800 -0.075 0.000 2.320 1066 G HA2 -0.319 3.641 3.960 0.000 0.000 0.242 1066 G HA3 -0.319 3.641 3.960 0.000 0.000 0.242 1066 G C 0.429 175.270 174.900 -0.098 0.000 1.033 1066 G CA 0.173 45.241 45.100 -0.052 0.000 0.620 1066 G HN 1.478 nan 8.290 nan 0.000 0.517 1067 K N -0.889 119.463 120.400 -0.079 0.000 3.228 1067 K HA -0.098 4.222 4.320 0.000 0.000 0.264 1067 K C -0.025 176.626 176.600 0.085 0.000 1.204 1067 K CA 0.961 57.206 56.287 -0.071 0.000 0.797 1067 K CB -1.943 30.351 32.500 -0.343 0.000 1.344 1067 K HN 0.609 nan 8.250 nan 0.000 0.505 1068 I N 0.938 121.584 120.570 0.126 0.000 2.437 1068 I HA 0.153 4.323 4.170 0.000 0.000 0.298 1068 I C 0.677 176.969 176.117 0.291 0.000 0.984 1068 I CA -0.762 60.648 61.300 0.184 0.000 1.214 1068 I CB 1.445 39.544 38.000 0.165 0.000 1.365 1068 I HN 0.090 nan 8.210 nan 0.000 0.469 1069 E N 3.021 123.370 120.200 0.248 0.000 2.259 1069 E HA 0.044 4.394 4.350 0.000 0.000 0.281 1069 E C 0.713 177.480 176.600 0.279 0.000 1.037 1069 E CA 0.169 56.728 56.400 0.265 0.000 0.854 1069 E CB 0.620 30.443 29.700 0.205 0.000 1.051 1069 E HN 0.463 nan 8.360 nan 0.000 0.409 1070 H N 2.235 121.352 119.070 0.078 0.000 2.390 1070 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 1070 H C 1.331 176.652 175.328 -0.011 0.000 1.106 1070 H CA 2.378 58.302 56.048 -0.208 0.000 1.297 1070 H CB 0.426 30.002 29.762 -0.311 0.000 1.375 1070 H HN 0.476 nan 8.280 nan 0.000 0.509 1071 S N -0.383 115.404 115.700 0.145 0.000 2.402 1071 S HA -0.142 4.328 4.470 0.000 0.000 0.229 1071 S C 1.826 176.468 174.600 0.070 0.000 1.021 1071 S CA 1.072 59.334 58.200 0.102 0.000 0.974 1071 S CB -0.480 62.817 63.200 0.161 0.000 0.800 1071 S HN 0.496 nan 8.310 nan 0.000 0.484 1072 F N 1.504 121.460 119.950 0.010 0.000 2.163 1072 F HA 0.023 4.550 4.527 0.000 0.000 0.297 1072 F C 2.016 177.835 175.800 0.031 0.000 1.094 1072 F CA 0.805 58.824 58.000 0.032 0.000 1.290 1072 F CB -0.332 38.714 39.000 0.076 0.000 1.017 1072 F HN 0.309 nan 8.300 nan 0.000 0.483 1073 W N 1.609 122.833 121.300 -0.126 0.000 2.292 1073 W HA -0.301 4.360 4.660 0.001 0.000 0.330 1073 W C 1.824 178.053 176.519 -0.483 0.000 1.264 1073 W CA 1.115 58.271 57.345 -0.314 0.000 1.235 1073 W CB -0.266 28.971 29.460 -0.371 0.000 1.164 1073 W HN -0.197 nan 8.180 nan 0.000 0.461 1074 R N 1.064 121.166 120.500 -0.662 0.000 2.339 1074 R HA 0.063 4.403 4.340 0.000 0.000 0.199 1074 R C 0.653 176.605 176.300 -0.581 0.000 1.018 1074 R CA 0.276 55.822 56.100 -0.923 0.000 1.036 1074 R CB -0.935 28.849 30.300 -0.860 0.000 0.899 1074 R HN -0.040 nan 8.270 nan 0.000 0.473 1075 S N 1.140 116.604 115.700 -0.393 0.000 2.560 1075 S HA 0.033 4.503 4.470 0.000 0.000 0.284 1075 S C -0.099 174.422 174.600 -0.132 0.000 1.327 1075 S CA -0.423 57.656 58.200 -0.202 0.000 1.055 1075 S CB 0.274 63.359 63.200 -0.192 0.000 0.868 1075 S HN 0.165 nan 8.310 nan 0.000 0.506 1076 F N 4.428 124.314 119.950 -0.107 0.000 2.578 1076 F HA 0.129 4.656 4.527 0.000 0.000 0.376 1076 F C 0.629 176.442 175.800 0.021 0.000 1.085 1076 F CA 0.698 58.690 58.000 -0.013 0.000 1.260 1076 F CB 0.323 39.322 39.000 -0.002 0.000 1.095 1076 F HN 0.551 nan 8.300 nan 0.000 0.573 1077 H N 4.329 123.226 119.070 -0.288 0.000 3.017 1077 H HA 0.309 4.865 4.556 -0.000 0.000 0.340 1077 H C -0.860 174.359 175.328 -0.182 0.000 1.014 1077 H CA -0.086 55.863 56.048 -0.165 0.000 1.341 1077 H CB 1.397 31.023 29.762 -0.226 0.000 1.739 1077 H HN 0.777 nan 8.280 nan 0.000 0.506 1078 T N 0.741 115.269 114.554 -0.043 0.000 2.676 1078 T HA 0.234 4.584 4.350 0.000 0.000 0.269 1078 T C 0.937 175.610 174.700 -0.045 0.000 0.952 1078 T CA -0.540 61.585 62.100 0.042 0.000 1.040 1078 T CB 1.827 70.726 68.868 0.051 0.000 1.352 1078 T HN 0.394 nan 8.240 nan 0.000 0.554 1079 E N -0.002 120.217 120.200 0.033 0.000 2.072 1079 E HA 0.024 4.374 4.350 0.000 0.000 0.190 1079 E C 2.311 178.900 176.600 -0.018 0.000 0.982 1079 E CA 1.192 57.607 56.400 0.025 0.000 0.803 1079 E CB -0.144 29.589 29.700 0.055 0.000 0.755 1079 E HN 0.609 nan 8.360 nan 0.000 0.453 1080 R N 0.162 120.668 120.500 0.010 0.000 2.090 1080 R HA -0.011 4.329 4.340 0.000 0.000 0.228 1080 R C 0.141 176.434 176.300 -0.011 0.000 1.110 1080 R CA 1.290 57.398 56.100 0.015 0.000 0.973 1080 R CB 0.065 30.395 30.300 0.050 0.000 0.869 1080 R HN 0.056 nan 8.270 nan 0.000 0.440 1081 K N -1.462 118.924 120.400 -0.023 0.000 2.556 1081 K HA 0.298 4.618 4.320 0.000 0.000 0.274 1081 K C -1.688 174.889 176.600 -0.039 0.000 0.966 1081 K CA -0.900 55.380 56.287 -0.012 0.000 0.865 1081 K CB 2.109 34.635 32.500 0.043 0.000 1.444 1081 K HN -0.162 nan 8.250 nan 0.000 0.433 1082 T N 1.636 116.178 114.554 -0.020 0.000 2.937 1082 T HA 0.368 4.718 4.350 0.000 0.000 0.297 1082 T C -1.433 173.301 174.700 0.056 0.000 0.991 1082 T CA -0.762 61.340 62.100 0.003 0.000 0.990 1082 T CB 1.319 70.151 68.868 -0.059 0.000 0.991 1082 T HN 0.494 nan 8.240 nan 0.000 0.440 1083 E N 2.698 122.963 120.200 0.108 0.000 2.343 1083 E HA 0.468 4.818 4.350 0.000 0.000 0.270 1083 E C -2.797 173.853 176.600 0.082 0.000 0.895 1083 E CA -2.591 53.855 56.400 0.077 0.000 0.767 1083 E CB 1.886 31.605 29.700 0.032 0.000 1.248 1083 E HN 0.240 nan 8.360 nan 0.000 0.440 1084 P HA 0.082 nan 4.420 nan 0.000 0.269 1084 P C -0.725 176.636 177.300 0.102 0.000 1.215 1084 P CA -0.059 63.087 63.100 0.076 0.000 0.780 1084 P CB 0.474 32.226 31.700 0.088 0.000 0.898 1085 A N 2.360 125.246 122.820 0.110 0.000 2.462 1085 A HA 0.460 4.780 4.320 0.000 0.000 0.243 1085 A C 0.130 177.870 177.584 0.259 0.000 1.076 1085 A CA 0.633 52.786 52.037 0.194 0.000 0.773 1085 A CB -0.479 18.650 19.000 0.216 0.000 1.010 1085 A HN 0.531 nan 8.150 nan 0.000 0.493 1086 T N 0.318 115.061 114.554 0.316 0.000 2.906 1086 T HA 0.588 4.938 4.350 0.000 0.000 0.295 1086 T C 0.961 175.915 174.700 0.423 0.000 1.061 1086 T CA 0.319 62.608 62.100 0.315 0.000 1.000 1086 T CB 1.644 70.623 68.868 0.186 0.000 1.103 1086 T HN 2.092 nan 8.240 nan 0.000 0.486 1087 G N 0.880 109.895 108.800 0.358 0.000 2.269 1087 G HA2 -0.251 3.709 3.960 0.000 0.000 0.277 1087 G HA3 -0.251 3.709 3.960 0.000 0.000 0.277 1087 G C -0.186 174.808 174.900 0.157 0.000 1.008 1087 G CA 0.398 45.570 45.100 0.121 0.000 0.774 1087 G HN 0.568 nan 8.290 nan 0.000 0.511 1088 F N -0.754 119.427 119.950 0.385 0.000 2.547 1088 F HA 0.626 5.153 4.527 0.001 0.000 0.316 1088 F C 0.358 176.256 175.800 0.165 0.000 1.121 1088 F CA -1.075 57.033 58.000 0.181 0.000 0.911 1088 F CB 1.611 40.600 39.000 -0.018 0.000 1.179 1088 F HN -0.055 nan 8.300 nan 0.000 0.443 1089 I N 2.732 123.405 120.570 0.172 0.000 2.336 1089 I HA 0.186 4.356 4.170 0.000 0.000 0.292 1089 I C -0.392 175.636 176.117 -0.149 0.000 0.991 1089 I CA -0.556 60.772 61.300 0.046 0.000 1.227 1089 I CB 1.195 39.251 38.000 0.093 0.000 1.366 1089 I HN 0.429 nan 8.210 nan 0.000 0.466 1090 D N 5.614 126.046 120.400 0.053 0.000 2.517 1090 D HA 0.123 4.763 4.640 0.000 0.000 0.220 1090 D C 1.340 177.592 176.300 -0.079 0.000 1.158 1090 D CA -0.150 53.929 54.000 0.131 0.000 0.992 1090 D CB 0.955 42.021 40.800 0.443 0.000 1.058 1090 D HN 0.721 nan 8.370 nan 0.000 0.516 1091 G N 2.898 111.432 108.800 -0.444 0.000 2.485 1091 G HA2 -0.304 3.656 3.960 0.000 0.000 0.221 1091 G HA3 -0.304 3.656 3.960 0.000 0.000 0.221 1091 G C 1.272 176.151 174.900 -0.035 0.000 1.115 1091 G CA 0.414 45.212 45.100 -0.502 0.000 0.751 1091 G HN 0.393 nan 8.290 nan 0.000 0.567 1092 D N -0.085 120.339 120.400 0.041 0.000 2.117 1092 D HA -0.070 4.570 4.640 0.000 0.000 0.198 1092 D C 2.391 178.799 176.300 0.179 0.000 0.982 1092 D CA 0.124 54.206 54.000 0.137 0.000 0.828 1092 D CB -0.274 40.642 40.800 0.194 0.000 0.967 1092 D HN 0.192 nan 8.370 nan 0.000 0.464 1093 L N 0.412 121.751 121.223 0.193 0.000 1.994 1093 L HA -0.176 4.164 4.340 0.000 0.000 0.208 1093 L C 2.126 179.082 176.870 0.143 0.000 1.071 1093 L CA 1.202 56.148 54.840 0.176 0.000 0.745 1093 L CB -0.422 41.692 42.059 0.092 0.000 0.892 1093 L HN -0.019 nan 8.230 nan 0.000 0.431 1094 I N 0.920 121.560 120.570 0.116 0.000 2.113 1094 I HA -0.342 3.828 4.170 0.000 0.000 0.242 1094 I C 2.619 178.863 176.117 0.211 0.000 1.064 1094 I CA 1.436 62.822 61.300 0.144 0.000 1.320 1094 I CB -0.818 37.284 38.000 0.171 0.000 1.028 1094 I HN 0.337 nan 8.210 nan 0.000 0.406 1095 E N -0.078 120.251 120.200 0.216 0.000 2.130 1095 E HA -0.220 4.130 4.350 0.000 0.000 0.196 1095 E C 2.021 178.760 176.600 0.232 0.000 0.998 1095 E CA 1.623 58.164 56.400 0.235 0.000 0.806 1095 E CB -0.264 29.574 29.700 0.229 0.000 0.738 1095 E HN 0.596 nan 8.360 nan 0.000 0.459 1096 S N 0.331 116.156 115.700 0.209 0.000 2.603 1096 S HA -0.104 4.366 4.470 0.000 0.000 0.229 1096 S C 1.496 176.202 174.600 0.177 0.000 0.972 1096 S CA -0.003 58.301 58.200 0.172 0.000 0.935 1096 S CB -0.487 62.806 63.200 0.155 0.000 0.769 1096 S HN 0.337 nan 8.310 nan 0.000 0.536 1097 F N 1.931 121.926 119.950 0.076 0.000 2.365 1097 F HA 0.204 4.731 4.527 0.000 0.000 0.300 1097 F C 1.359 177.189 175.800 0.050 0.000 1.090 1097 F CA 0.873 58.908 58.000 0.059 0.000 1.408 1097 F CB -0.178 38.857 39.000 0.059 0.000 1.060 1097 F HN 0.222 nan 8.300 nan 0.000 0.534 1098 L N -0.471 120.731 121.223 -0.036 0.000 2.509 1098 L HA 0.039 4.379 4.340 0.000 0.000 0.222 1098 L C 1.227 178.025 176.870 -0.121 0.000 1.123 1098 L CA 0.275 55.035 54.840 -0.133 0.000 0.856 1098 L CB -0.438 41.647 42.059 0.043 0.000 0.985 1098 L HN -0.063 nan 8.230 nan 0.000 0.456 1099 D N 0.264 120.623 120.400 -0.068 0.000 2.327 1099 D HA 0.118 4.758 4.640 0.000 0.000 0.205 1099 D C 1.010 177.270 176.300 -0.066 0.000 0.989 1099 D CA 0.230 54.215 54.000 -0.026 0.000 0.873 1099 D CB 0.343 41.157 40.800 0.024 0.000 0.955 1099 D HN 0.298 nan 8.370 nan 0.000 0.515 1100 I N -0.457 120.036 120.570 -0.129 0.000 2.945 1100 I HA 0.231 4.401 4.170 0.000 0.000 0.292 1100 I C 0.599 176.631 176.117 -0.141 0.000 1.093 1100 I CA -0.825 60.405 61.300 -0.117 0.000 1.336 1100 I CB 0.914 38.851 38.000 -0.104 0.000 1.435 1100 I HN -0.179 nan 8.210 nan 0.000 0.593 1101 S N 3.580 119.225 115.700 -0.091 0.000 2.603 1101 S HA 0.323 4.793 4.470 0.000 0.000 0.268 1101 S C 0.995 175.543 174.600 -0.086 0.000 1.317 1101 S CA -0.647 57.506 58.200 -0.078 0.000 1.012 1101 S CB 1.572 64.746 63.200 -0.043 0.000 0.926 1101 S HN 0.777 nan 8.310 nan 0.000 0.539 1102 R N 1.396 121.854 120.500 -0.069 0.000 2.096 1102 R HA -0.083 4.258 4.340 0.000 0.000 0.240 1102 R C -0.638 175.649 176.300 -0.022 0.000 1.139 1102 R CA 1.947 58.018 56.100 -0.049 0.000 0.952 1102 R CB -1.832 28.454 30.300 -0.023 0.000 0.854 1102 R HN 0.657 nan 8.270 nan 0.000 0.436 1103 P HA -0.190 nan 4.420 nan 0.000 0.214 1103 P C 0.710 178.012 177.300 0.003 0.000 1.163 1103 P CA 1.567 64.666 63.100 -0.001 0.000 0.889 1103 P CB -0.144 31.555 31.700 -0.001 0.000 0.790 1104 K N -1.070 119.325 120.400 -0.008 0.000 2.148 1104 K HA -0.009 4.311 4.320 0.000 0.000 0.204 1104 K C 2.416 179.029 176.600 0.022 0.000 1.050 1104 K CA 1.119 57.408 56.287 0.004 0.000 0.942 1104 K CB -0.359 32.137 32.500 -0.006 0.000 0.724 1104 K HN 0.166 nan 8.250 nan 0.000 0.446 1105 M N 0.870 120.460 119.600 -0.016 0.000 2.065 1105 M HA -0.236 4.244 4.480 0.000 0.000 0.259 1105 M C 2.189 178.567 176.300 0.130 0.000 1.071 1105 M CA 1.672 56.998 55.300 0.042 0.000 1.109 1105 M CB -0.561 31.995 32.600 -0.073 0.000 1.313 1105 M HN 0.109 nan 8.290 nan 0.000 0.408 1106 Q N 0.494 120.338 119.800 0.073 0.000 2.112 1106 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 1106 Q C 1.742 177.780 176.000 0.063 0.000 0.987 1106 Q CA 1.536 57.379 55.803 0.066 0.000 0.858 1106 Q CB -0.721 28.041 28.738 0.041 0.000 0.905 1106 Q HN 0.610 nan 8.270 nan 0.000 0.420 1107 E N -0.026 120.207 120.200 0.056 0.000 2.208 1107 E HA -0.151 4.199 4.350 0.000 0.000 0.202 1107 E C 0.252 176.887 176.600 0.058 0.000 1.014 1107 E CA 1.056 57.486 56.400 0.050 0.000 0.819 1107 E CB 0.207 29.934 29.700 0.047 0.000 0.735 1107 E HN 0.065 nan 8.360 nan 0.000 0.469 1108 V N 1.169 121.135 119.914 0.086 0.000 2.446 1108 V HA 0.081 4.201 4.120 0.000 0.000 0.257 1108 V C 0.371 176.505 176.094 0.067 0.000 1.036 1108 V CA -0.061 62.285 62.300 0.077 0.000 1.196 1108 V CB 1.287 33.167 31.823 0.095 0.000 1.446 1108 V HN -0.021 nan 8.190 nan 0.000 0.558 1109 V N 0.698 120.639 119.914 0.046 0.000 3.151 1109 V HA 0.171 4.291 4.120 0.000 0.000 0.235 1109 V C 2.187 178.285 176.094 0.006 0.000 1.501 1109 V CA 1.220 63.532 62.300 0.020 0.000 1.211 1109 V CB 0.677 32.529 31.823 0.049 0.000 1.049 1109 V HN 0.579 nan 8.190 nan 0.000 0.455 1110 A N 1.875 124.705 122.820 0.016 0.000 1.434 1110 A HA -0.385 3.935 4.320 0.000 0.000 0.361 1110 A C 0.724 178.307 177.584 -0.003 0.000 4.569 1110 A CA 3.247 55.289 52.037 0.009 0.000 0.985 1110 A CB -1.347 17.660 19.000 0.010 0.000 0.666 1110 A HN 0.923 nan 8.150 nan 0.000 0.527 1123 E N 0.456 120.624 120.200 -0.054 0.000 2.475 1123 E HA 0.886 5.236 4.350 0.000 0.000 0.221 1123 E C -1.269 175.302 176.600 -0.047 0.000 0.793 1123 E CA -1.246 55.129 56.400 -0.042 0.000 0.922 1123 E CB 1.941 31.621 29.700 -0.034 0.000 1.778 1123 E HN 0.724 nan 8.360 nan 0.000 0.392 1124 A N 0.649 123.448 122.820 -0.036 0.000 2.495 1124 A HA 0.546 4.866 4.320 0.000 0.000 0.297 1124 A C -1.228 176.347 177.584 -0.015 0.000 1.036 1124 A CA -0.633 51.384 52.037 -0.035 0.000 0.982 1124 A CB 0.489 19.470 19.000 -0.033 0.000 1.476 1124 A HN 0.416 nan 8.150 nan 0.000 0.393 1125 T N -0.136 114.412 114.554 -0.010 0.000 2.894 1125 T HA 0.700 5.050 4.350 0.000 0.000 0.309 1125 T C 0.982 175.708 174.700 0.044 0.000 1.208 1125 T CA -0.004 62.106 62.100 0.017 0.000 1.016 1125 T CB 1.733 70.610 68.868 0.014 0.000 1.192 1125 T HN 1.521 nan 8.240 nan 0.000 0.491 1126 A N 1.396 124.268 122.820 0.085 0.000 1.840 1126 A HA 0.026 4.346 4.320 0.000 0.000 0.214 1126 A C 1.726 179.410 177.584 0.167 0.000 1.198 1126 A CA 1.716 53.858 52.037 0.175 0.000 0.608 1126 A CB -1.109 17.999 19.000 0.179 0.000 0.839 1126 A HN 0.884 nan 8.150 nan 0.000 0.443 1127 D N 0.533 120.994 120.400 0.102 0.000 2.218 1127 D HA -0.224 4.416 4.640 0.000 0.000 0.194 1127 D C 1.413 177.751 176.300 0.063 0.000 1.007 1127 D CA 1.618 55.662 54.000 0.072 0.000 0.879 1127 D CB -0.380 40.450 40.800 0.050 0.000 0.918 1127 D HN 0.452 nan 8.370 nan 0.000 0.449 1128 D N -0.291 120.139 120.400 0.048 0.000 2.117 1128 D HA -0.045 4.595 4.640 0.000 0.000 0.198 1128 D C 2.120 178.430 176.300 0.017 0.000 0.982 1128 D CA 0.374 54.386 54.000 0.021 0.000 0.828 1128 D CB -0.091 40.707 40.800 -0.004 0.000 0.967 1128 D HN 0.211 nan 8.370 nan 0.000 0.464 1129 L N 0.640 121.873 121.223 0.018 0.000 2.056 1129 L HA -0.072 4.268 4.340 0.000 0.000 0.207 1129 L C 2.646 179.529 176.870 0.022 0.000 1.078 1129 L CA 0.525 55.316 54.840 -0.082 0.000 0.749 1129 L CB -0.238 41.638 42.059 -0.305 0.000 0.901 1129 L HN 0.061 nan 8.230 nan 0.000 0.433 1130 I N 0.028 120.750 120.570 0.254 0.000 2.700 1130 I HA -0.320 3.850 4.170 0.000 0.000 0.261 1130 I C 2.558 178.746 176.117 0.120 0.000 1.219 1130 I CA 1.199 62.671 61.300 0.287 0.000 1.463 1130 I CB -0.124 38.032 38.000 0.259 0.000 1.092 1130 I HN 0.250 nan 8.210 nan 0.000 0.452 1131 K N 0.466 120.912 120.400 0.075 0.000 2.001 1131 K HA -0.132 4.188 4.320 0.000 0.000 0.208 1131 K C 1.934 178.575 176.600 0.068 0.000 1.048 1131 K CA 1.908 58.223 56.287 0.048 0.000 0.932 1131 K CB -0.199 32.322 32.500 0.036 0.000 0.715 1131 K HN 0.263 nan 8.250 nan 0.000 0.437 1132 V N 1.317 121.287 119.914 0.093 0.000 2.407 1132 V HA -0.211 3.909 4.120 0.000 0.000 0.248 1132 V C 2.408 178.578 176.094 0.127 0.000 1.055 1132 V CA 1.483 63.883 62.300 0.166 0.000 1.049 1132 V CB -0.003 31.943 31.823 0.205 0.000 0.662 1132 V HN 0.207 nan 8.190 nan 0.000 0.455 1133 V N -0.558 119.418 119.914 0.103 0.000 2.379 1133 V HA -0.198 3.922 4.120 0.000 0.000 0.245 1133 V C 2.342 178.499 176.094 0.105 0.000 1.044 1133 V CA 1.742 64.120 62.300 0.128 0.000 1.036 1133 V CB -0.571 31.368 31.823 0.194 0.000 0.664 1133 V HN 0.586 nan 8.190 nan 0.000 0.453 1134 E N -0.289 119.959 120.200 0.079 0.000 2.160 1134 E HA -0.247 4.103 4.350 0.000 0.000 0.195 1134 E C 2.275 178.874 176.600 -0.002 0.000 0.991 1134 E CA 1.153 57.569 56.400 0.027 0.000 0.810 1134 E CB -0.067 29.629 29.700 -0.006 0.000 0.742 1134 E HN 0.559 nan 8.360 nan 0.000 0.466 1135 E N 0.343 120.544 120.200 0.000 0.000 2.152 1135 E HA -0.103 4.247 4.350 0.000 0.000 0.192 1135 E C 2.100 178.656 176.600 -0.073 0.000 0.983 1135 E CA 0.410 56.787 56.400 -0.039 0.000 0.818 1135 E CB 0.131 29.811 29.700 -0.033 0.000 0.758 1135 E HN 0.295 nan 8.360 nan 0.000 0.467 1136 L N 0.579 121.776 121.223 -0.043 0.000 2.179 1136 L HA -0.111 4.229 4.340 0.000 0.000 0.208 1136 L C 2.646 179.545 176.870 0.048 0.000 1.096 1136 L CA 1.453 56.259 54.840 -0.056 0.000 0.779 1136 L CB -0.434 41.629 42.059 0.007 0.000 0.922 1136 L HN 0.200 nan 8.230 nan 0.000 0.443 1137 T N -2.717 111.877 114.554 0.067 0.000 2.929 1137 T HA -0.199 4.151 4.350 0.000 0.000 0.271 1137 T C 1.641 176.253 174.700 -0.146 0.000 1.085 1137 T CA 0.843 62.977 62.100 0.058 0.000 1.125 1137 T CB -0.293 68.593 68.868 0.030 0.000 0.874 1137 T HN 0.325 nan 8.240 nan 0.000 0.494 1138 R N -0.109 120.329 120.500 -0.103 0.000 2.426 1138 R HA 0.470 4.810 4.340 0.000 0.000 0.263 1138 R C 1.484 177.730 176.300 -0.091 0.000 0.961 1138 R CA -0.167 55.852 56.100 -0.136 0.000 1.086 1138 R CB -0.184 30.057 30.300 -0.098 0.000 1.186 1138 R HN 0.401 nan 8.270 nan 0.000 0.537 1139 I N 0.747 121.302 120.570 -0.026 0.000 2.546 1139 I HA -0.142 4.028 4.170 0.000 0.000 0.255 1139 I C 1.144 177.331 176.117 0.116 0.000 1.163 1139 I CA 0.926 62.249 61.300 0.039 0.000 1.457 1139 I CB 0.044 38.081 38.000 0.062 0.000 1.092 1139 I HN 0.297 nan 8.210 nan 0.000 0.434 1140 H N 0.000 119.081 119.070 0.018 0.000 2.539 1140 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1140 H CA 0.000 56.061 56.048 0.021 0.000 1.023 1140 H CB 0.000 29.784 29.762 0.036 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496