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 3ei2_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 XXXXVTLKDL DATA SEQUENCE RVELLGETSI AECLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TDDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDXX 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 FXXXXXXXXX XXXEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKELR 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 XXXATADDLI 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 0.000 176.016 176.300 -0.473 0.000 1.140 1 M CA 0.000 55.118 55.300 -0.303 0.000 0.988 1 M CB 0.000 32.413 32.600 -0.312 0.000 1.302 2 S N 2.337 117.640 115.700 -0.661 0.000 2.442 2 S HA 0.850 5.302 4.470 -0.030 0.000 0.297 2 S C -1.644 172.368 174.600 -0.980 0.000 1.131 2 S CA -0.267 57.563 58.200 -0.618 0.000 1.092 2 S CB 0.479 63.419 63.200 -0.434 0.000 0.998 2 S HN 0.539 nan 8.310 nan 0.000 0.478 3 Y N 2.103 122.199 120.300 -0.339 0.000 2.346 3 Y HA 0.523 5.055 4.550 -0.030 0.000 0.332 3 Y C 0.131 175.874 175.900 -0.262 0.000 0.985 3 Y CA -0.959 56.897 58.100 -0.407 0.000 1.112 3 Y CB 1.737 39.957 38.460 -0.401 0.000 1.170 3 Y HN 0.673 nan 8.280 nan 0.000 0.447 4 N N 1.723 120.303 118.700 -0.201 0.000 2.328 4 N HA 0.347 5.069 4.740 -0.030 0.000 0.299 4 N C -1.935 173.577 175.510 0.004 0.000 1.179 4 N CA -0.823 52.080 53.050 -0.246 0.000 0.793 4 N CB 2.890 40.938 38.487 -0.732 0.000 1.366 4 N HN 0.661 nan 8.380 nan 0.000 0.493 5 Y N 0.653 120.923 120.300 -0.051 0.000 2.346 5 Y HA 0.427 4.959 4.550 -0.030 0.000 0.332 5 Y C -1.288 174.643 175.900 0.051 0.000 0.985 5 Y CA -0.613 57.504 58.100 0.029 0.000 1.112 5 Y CB 1.021 39.505 38.460 0.040 0.000 1.170 5 Y HN 0.165 nan 8.280 nan 0.000 0.447 6 V N 7.047 126.785 119.914 -0.293 0.000 2.417 6 V HA 0.719 4.821 4.120 -0.030 0.000 0.291 6 V C -0.677 175.267 176.094 -0.249 0.000 1.024 6 V CA -0.843 61.370 62.300 -0.146 0.000 0.861 6 V CB 1.154 32.863 31.823 -0.190 0.000 0.985 6 V HN 0.620 nan 8.190 nan 0.000 0.436 7 V N 0.985 120.853 119.914 -0.076 0.000 2.876 7 V HA 0.621 4.723 4.120 -0.030 0.000 0.312 7 V C -0.005 176.007 176.094 -0.137 0.000 1.085 7 V CA -0.691 61.546 62.300 -0.104 0.000 0.945 7 V CB 1.794 33.572 31.823 -0.075 0.000 1.017 7 V HN 0.721 nan 8.190 nan 0.000 0.428 8 T N 2.701 117.175 114.554 -0.134 0.000 2.814 8 T HA 0.490 4.822 4.350 -0.030 0.000 0.297 8 T C 1.073 175.562 174.700 -0.351 0.000 0.956 8 T CA 0.593 62.596 62.100 -0.161 0.000 1.123 8 T CB 1.428 70.273 68.868 -0.038 0.000 0.902 8 T HN 1.128 nan 8.240 nan 0.000 0.528 9 A N 3.271 125.908 122.820 -0.305 0.000 2.014 9 A HA 0.261 4.563 4.320 -0.030 0.000 0.210 9 A C 0.961 178.507 177.584 -0.063 0.000 1.188 9 A CA 0.396 52.299 52.037 -0.222 0.000 0.731 9 A CB 0.175 19.099 19.000 -0.127 0.000 0.858 9 A HN 0.603 nan 8.150 nan 0.000 0.464 10 Q N 0.474 120.227 119.800 -0.079 0.000 2.263 10 Q HA 0.413 4.735 4.340 -0.030 0.000 0.266 10 Q C -1.300 174.686 176.000 -0.023 0.000 1.002 10 Q CA -0.340 55.446 55.803 -0.029 0.000 0.790 10 Q CB 1.040 29.760 28.738 -0.030 0.000 1.272 10 Q HN 0.298 nan 8.270 nan 0.000 0.435 11 K N 4.556 124.959 120.400 0.004 0.000 2.380 11 K HA 0.251 4.553 4.320 -0.030 0.000 0.267 11 K C -2.132 174.479 176.600 0.018 0.000 0.990 11 K CA -1.441 54.857 56.287 0.018 0.000 0.946 11 K CB 0.142 32.658 32.500 0.026 0.000 0.937 11 K HN 0.551 nan 8.250 nan 0.000 0.491 12 P HA -0.095 nan 4.420 nan 0.000 0.265 12 P C 0.202 177.514 177.300 0.021 0.000 1.187 12 P CA 0.411 63.526 63.100 0.024 0.000 0.766 12 P CB 0.606 32.322 31.700 0.027 0.000 0.820 13 T N -1.360 113.206 114.554 0.021 0.000 2.969 13 T HA 0.305 4.638 4.350 -0.030 0.000 0.250 13 T C 0.889 175.609 174.700 0.033 0.000 1.021 13 T CA 0.014 62.132 62.100 0.029 0.000 1.003 13 T CB -0.080 68.804 68.868 0.027 0.000 1.040 13 T HN 0.461 nan 8.240 nan 0.000 0.492 14 A N 1.812 124.646 122.820 0.022 0.000 2.477 14 A HA 0.573 4.875 4.320 -0.030 0.000 0.246 14 A C 0.137 177.738 177.584 0.028 0.000 1.078 14 A CA -0.364 51.685 52.037 0.021 0.000 0.770 14 A CB 0.134 19.139 19.000 0.009 0.000 1.011 14 A HN 0.360 nan 8.150 nan 0.000 0.494 15 V N 3.903 123.842 119.914 0.042 0.000 2.406 15 V HA 0.148 4.250 4.120 -0.030 0.000 0.272 15 V C 0.427 176.544 176.094 0.037 0.000 1.043 15 V CA -0.430 61.907 62.300 0.061 0.000 0.915 15 V CB 0.974 32.876 31.823 0.131 0.000 0.988 15 V HN 0.957 nan 8.190 nan 0.000 0.466 16 N N 3.293 122.004 118.700 0.019 0.000 2.282 16 N HA 0.222 4.944 4.740 -0.030 0.000 0.185 16 N C 0.535 176.047 175.510 0.004 0.000 1.099 16 N CA 0.611 53.661 53.050 0.001 0.000 0.878 16 N CB 1.441 39.913 38.487 -0.025 0.000 0.993 16 N HN 0.791 nan 8.380 nan 0.000 0.481 17 G N -0.769 108.042 108.800 0.017 0.000 2.703 17 G HA2 0.459 4.401 3.960 -0.030 0.000 0.294 17 G HA3 0.459 4.401 3.960 -0.030 0.000 0.294 17 G C -1.844 173.076 174.900 0.034 0.000 1.451 17 G CA -0.307 44.801 45.100 0.014 0.000 0.869 17 G HN 0.078 nan 8.290 nan 0.000 0.516 18 C N 1.420 120.742 119.300 0.036 0.000 2.789 18 C HA 0.709 5.151 4.460 -0.030 0.000 0.367 18 C C -0.830 174.180 174.990 0.032 0.000 1.062 18 C CA -0.240 58.814 59.018 0.060 0.000 1.297 18 C CB -0.049 27.777 27.740 0.144 0.000 1.794 18 C HN 0.733 nan 8.230 nan 0.000 0.474 19 V N 4.407 124.314 119.914 -0.011 0.000 2.760 19 V HA 0.728 4.830 4.120 -0.030 0.000 0.309 19 V C 0.069 176.141 176.094 -0.036 0.000 1.077 19 V CA -0.140 62.155 62.300 -0.009 0.000 0.910 19 V CB 2.573 34.385 31.823 -0.017 0.000 1.008 19 V HN 0.815 nan 8.190 nan 0.000 0.424 20 T N 2.434 116.979 114.554 -0.016 0.000 2.932 20 T HA 0.927 5.259 4.350 -0.030 0.000 0.289 20 T C -0.044 174.611 174.700 -0.077 0.000 1.039 20 T CA 0.517 62.586 62.100 -0.052 0.000 1.024 20 T CB 1.576 70.426 68.868 -0.031 0.000 1.090 20 T HN 1.431 nan 8.240 nan 0.000 0.496 21 G N 1.745 110.437 108.800 -0.180 0.000 2.368 21 G HA2 0.219 4.161 3.960 -0.030 0.000 0.269 21 G HA3 0.219 4.161 3.960 -0.030 0.000 0.269 21 G C -1.716 172.916 174.900 -0.447 0.000 1.291 21 G CA -0.727 44.200 45.100 -0.289 0.000 0.903 21 G HN 0.734 nan 8.290 nan 0.000 0.483 22 H N 0.529 119.642 119.070 0.073 0.000 2.418 22 H HA 0.424 4.961 4.556 -0.032 0.000 0.238 22 H C 0.039 175.421 175.328 0.090 0.000 1.403 22 H CA -0.478 55.602 56.048 0.053 0.000 1.419 22 H CB 0.872 30.649 29.762 0.025 0.000 1.463 22 H HN 0.300 nan 8.280 nan 0.000 0.515 23 F N 2.339 122.260 119.950 -0.048 0.000 2.343 23 F HA -0.087 4.422 4.527 -0.031 0.000 0.286 23 F C 2.368 178.068 175.800 -0.167 0.000 1.057 23 F CA 1.229 59.180 58.000 -0.082 0.000 1.365 23 F CB 0.087 39.031 39.000 -0.093 0.000 1.114 23 F HN 0.300 nan 8.300 nan 0.000 0.545 24 T N -1.600 112.687 114.554 -0.445 0.000 2.821 24 T HA 0.103 4.435 4.350 -0.030 0.000 0.267 24 T C 0.854 175.311 174.700 -0.404 0.000 1.046 24 T CA 0.795 62.339 62.100 -0.927 0.000 1.139 24 T CB -0.741 67.582 68.868 -0.909 0.000 0.871 24 T HN 0.373 nan 8.240 nan 0.000 0.454 25 S N -1.118 114.469 115.700 -0.188 0.000 2.611 25 S HA 0.727 5.179 4.470 -0.030 0.000 0.268 25 S C 0.870 175.463 174.600 -0.013 0.000 1.156 25 S CA -0.426 57.727 58.200 -0.078 0.000 0.817 25 S CB 1.089 64.252 63.200 -0.061 0.000 1.122 25 S HN 0.325 nan 8.310 nan 0.000 0.466 26 A N 0.431 123.237 122.820 -0.023 0.000 2.015 26 A HA 0.122 4.424 4.320 -0.030 0.000 0.219 26 A C 1.652 179.183 177.584 -0.090 0.000 1.163 26 A CA 1.637 53.644 52.037 -0.050 0.000 0.646 26 A CB -0.906 18.052 19.000 -0.071 0.000 0.806 26 A HN 0.835 nan 8.150 nan 0.000 0.448 27 E N 0.384 120.563 120.200 -0.036 0.000 2.250 27 E HA 0.032 4.364 4.350 -0.030 0.000 0.192 27 E C -0.162 176.463 176.600 0.042 0.000 0.986 27 E CA 0.735 57.120 56.400 -0.024 0.000 0.849 27 E CB 0.043 29.731 29.700 -0.020 0.000 0.797 27 E HN 0.852 nan 8.360 nan 0.000 0.482 28 D N -0.274 120.171 120.400 0.074 0.000 2.229 28 D HA 0.263 4.885 4.640 -0.030 0.000 0.249 28 D C -0.615 175.790 176.300 0.175 0.000 1.027 28 D CA -0.824 53.229 54.000 0.088 0.000 0.923 28 D CB 1.051 41.859 40.800 0.013 0.000 1.174 28 D HN -0.142 nan 8.370 nan 0.000 0.443 29 L N 1.893 123.169 121.223 0.088 0.000 2.265 29 L HA 0.383 4.705 4.340 -0.030 0.000 0.288 29 L C -0.986 175.847 176.870 -0.062 0.000 1.058 29 L CA -0.328 54.494 54.840 -0.029 0.000 0.809 29 L CB 0.194 42.245 42.059 -0.014 0.000 1.179 29 L HN 0.335 nan 8.230 nan 0.000 0.429 30 N N 4.783 123.417 118.700 -0.109 0.000 2.405 30 N HA 0.410 5.132 4.740 -0.030 0.000 0.299 30 N C -1.258 174.211 175.510 -0.068 0.000 1.075 30 N CA -0.551 52.464 53.050 -0.058 0.000 0.884 30 N CB 2.451 40.926 38.487 -0.020 0.000 1.194 30 N HN 0.466 nan 8.380 nan 0.000 0.491 31 L N 2.506 123.707 121.223 -0.037 0.000 2.305 31 L HA 0.489 4.811 4.340 -0.030 0.000 0.284 31 L C -1.507 175.341 176.870 -0.037 0.000 1.013 31 L CA -0.526 54.266 54.840 -0.080 0.000 0.819 31 L CB 0.778 42.728 42.059 -0.182 0.000 1.227 31 L HN 0.311 nan 8.230 nan 0.000 0.417 32 L N 6.588 127.758 121.223 -0.088 0.000 2.307 32 L HA 0.570 4.893 4.340 -0.030 0.000 0.284 32 L C -0.504 176.301 176.870 -0.108 0.000 1.023 32 L CA 0.047 54.829 54.840 -0.097 0.000 0.810 32 L CB 1.626 43.594 42.059 -0.151 0.000 1.231 32 L HN 0.501 nan 8.230 nan 0.000 0.423 33 I N 2.760 123.276 120.570 -0.091 0.000 2.447 33 I HA 0.570 4.722 4.170 -0.030 0.000 0.287 33 I C -0.199 175.884 176.117 -0.056 0.000 1.023 33 I CA -0.690 60.561 61.300 -0.081 0.000 1.083 33 I CB 1.926 39.858 38.000 -0.113 0.000 1.245 33 I HN 0.663 nan 8.210 nan 0.000 0.434 34 A N 6.338 129.132 122.820 -0.044 0.000 2.276 34 A HA 0.510 4.812 4.320 -0.030 0.000 0.300 34 A C -0.082 177.485 177.584 -0.028 0.000 1.235 34 A CA -0.437 51.569 52.037 -0.052 0.000 0.867 34 A CB 0.175 19.136 19.000 -0.066 0.000 1.137 34 A HN 0.714 nan 8.150 nan 0.000 0.527 35 K N 3.135 123.516 120.400 -0.032 0.000 2.533 35 K HA 0.177 4.479 4.320 -0.030 0.000 0.207 35 K C 0.307 176.889 176.600 -0.029 0.000 1.052 35 K CA -0.376 55.901 56.287 -0.017 0.000 1.030 35 K CB 0.197 32.695 32.500 -0.003 0.000 1.522 35 K HN 0.931 nan 8.250 nan 0.000 0.543 36 N N 0.530 119.203 118.700 -0.044 0.000 3.267 36 N HA -0.328 4.394 4.740 -0.030 0.000 0.194 36 N C 0.956 176.417 175.510 -0.081 0.000 0.368 36 N CA 3.237 56.251 53.050 -0.060 0.000 2.017 36 N CB -1.148 37.317 38.487 -0.037 0.000 1.401 36 N HN 0.458 nan 8.380 nan 0.000 0.383 37 T N -1.882 112.636 114.554 -0.059 0.000 3.086 37 T HA 0.349 4.681 4.350 -0.030 0.000 0.250 37 T C 0.602 175.241 174.700 -0.102 0.000 1.074 37 T CA 0.064 62.099 62.100 -0.109 0.000 0.988 37 T CB 0.056 68.895 68.868 -0.047 0.000 0.988 37 T HN 0.295 nan 8.240 nan 0.000 0.530 38 R N 1.116 121.574 120.500 -0.070 0.000 2.445 38 R HA 0.612 4.935 4.340 -0.030 0.000 0.308 38 R C -1.440 174.815 176.300 -0.075 0.000 0.961 38 R CA -0.895 55.168 56.100 -0.062 0.000 0.862 38 R CB 2.044 32.326 30.300 -0.031 0.000 1.144 38 R HN 0.246 nan 8.270 nan 0.000 0.447 39 L N 2.263 123.434 121.223 -0.085 0.000 2.325 39 L HA 0.407 4.729 4.340 -0.030 0.000 0.281 39 L C -0.654 176.160 176.870 -0.094 0.000 1.004 39 L CA -0.083 54.702 54.840 -0.092 0.000 0.823 39 L CB 1.521 43.518 42.059 -0.105 0.000 1.236 39 L HN 0.531 nan 8.230 nan 0.000 0.415 40 E N 6.031 126.169 120.200 -0.104 0.000 2.187 40 E HA 0.544 4.876 4.350 -0.030 0.000 0.268 40 E C -1.151 175.319 176.600 -0.217 0.000 0.896 40 E CA -0.504 55.788 56.400 -0.180 0.000 0.766 40 E CB 2.380 32.005 29.700 -0.125 0.000 1.142 40 E HN 0.537 nan 8.360 nan 0.000 0.408 41 I N 3.035 123.406 120.570 -0.331 0.000 2.406 41 I HA 0.367 4.519 4.170 -0.030 0.000 0.290 41 I C -1.020 174.833 176.117 -0.439 0.000 0.999 41 I CA -0.772 60.390 61.300 -0.229 0.000 1.124 41 I CB 0.738 38.712 38.000 -0.043 0.000 1.289 41 I HN 0.449 nan 8.210 nan 0.000 0.441 42 Y N 4.336 124.580 120.300 -0.094 0.000 2.570 42 Y HA 0.618 5.150 4.550 -0.029 0.000 0.345 42 Y C -0.070 175.778 175.900 -0.086 0.000 1.014 42 Y CA -1.219 56.829 58.100 -0.088 0.000 1.063 42 Y CB 1.984 40.367 38.460 -0.129 0.000 1.272 42 Y HN 0.303 nan 8.280 nan 0.000 0.477 43 V N -0.166 119.805 119.914 0.095 0.000 2.427 43 V HA 0.630 4.733 4.120 -0.030 0.000 0.286 43 V C -0.468 175.651 176.094 0.042 0.000 1.034 43 V CA -1.029 61.292 62.300 0.035 0.000 0.893 43 V CB 0.941 32.767 31.823 0.004 0.000 0.982 43 V HN 0.526 nan 8.190 nan 0.000 0.452 44 V N 5.592 125.510 119.914 0.006 0.000 2.470 44 V HA 0.390 4.492 4.120 -0.030 0.000 0.276 44 V C 1.071 177.166 176.094 0.002 0.000 1.040 44 V CA 0.704 62.997 62.300 -0.011 0.000 1.008 44 V CB 0.698 32.496 31.823 -0.041 0.000 0.990 44 V HN 1.237 nan 8.190 nan 0.000 0.477 45 T N 2.424 116.982 114.554 0.007 0.000 2.889 45 T HA 0.757 5.089 4.350 -0.030 0.000 0.278 45 T C 0.242 174.945 174.700 0.004 0.000 0.995 45 T CA -0.361 61.746 62.100 0.012 0.000 0.966 45 T CB 1.514 70.397 68.868 0.023 0.000 1.237 45 T HN 0.947 nan 8.240 nan 0.000 0.591 46 A N 0.870 123.696 122.820 0.009 0.000 2.515 46 A HA 0.384 4.686 4.320 -0.030 0.000 0.263 46 A C 0.523 178.110 177.584 0.006 0.000 1.096 46 A CA -0.119 51.922 52.037 0.007 0.000 0.769 46 A CB -1.303 17.704 19.000 0.011 0.000 1.040 46 A HN 0.993 nan 8.150 nan 0.000 0.505 47 E N 0.319 120.518 120.200 -0.001 0.000 2.103 47 E HA -0.142 4.190 4.350 -0.030 0.000 0.186 47 E C 0.482 177.086 176.600 0.007 0.000 1.392 47 E CA 1.789 58.188 56.400 -0.000 0.000 0.691 47 E CB -1.295 28.407 29.700 0.004 0.000 1.068 47 E HN 1.347 nan 8.360 nan 0.000 0.328 48 G N -1.163 107.640 108.800 0.006 0.000 2.489 48 G HA2 0.633 4.575 3.960 -0.030 0.000 0.305 48 G HA3 0.633 4.575 3.960 -0.030 0.000 0.305 48 G C -1.825 173.082 174.900 0.011 0.000 1.311 48 G CA -0.822 44.289 45.100 0.018 0.000 0.813 48 G HN 0.178 nan 8.290 nan 0.000 0.480 49 L N -0.047 121.192 121.223 0.027 0.000 2.543 49 L HA 0.676 4.998 4.340 -0.030 0.000 0.265 49 L C -0.438 176.500 176.870 0.113 0.000 0.945 49 L CA -0.448 54.401 54.840 0.015 0.000 0.869 49 L CB 2.272 44.256 42.059 -0.125 0.000 1.294 49 L HN 0.643 nan 8.230 nan 0.000 0.405 50 R N 5.768 126.372 120.500 0.174 0.000 2.360 50 R HA 0.600 4.922 4.340 -0.030 0.000 0.318 50 R C -2.581 173.878 176.300 0.264 0.000 0.950 50 R CA -1.758 54.457 56.100 0.192 0.000 0.837 50 R CB 1.705 32.075 30.300 0.117 0.000 1.165 50 R HN 0.289 nan 8.270 nan 0.000 0.458 51 P HA -0.010 nan 4.420 nan 0.000 0.276 51 P C 0.435 177.804 177.300 0.116 0.000 1.243 51 P CA -0.066 63.040 63.100 0.010 0.000 0.768 51 P CB 1.463 33.170 31.700 0.011 0.000 0.856 52 V N 0.611 120.501 119.914 -0.040 0.000 3.151 52 V HA 0.416 4.518 4.120 -0.030 0.000 0.241 52 V C 0.369 176.448 176.094 -0.024 0.000 1.173 52 V CA 0.866 63.161 62.300 -0.009 0.000 1.154 52 V CB -0.553 31.230 31.823 -0.066 0.000 0.898 52 V HN 0.435 nan 8.190 nan 0.000 0.473 53 K N 0.268 120.638 120.400 -0.049 0.000 2.583 53 K HA 0.459 4.761 4.320 -0.030 0.000 0.260 53 K C -1.629 174.925 176.600 -0.077 0.000 0.931 53 K CA -0.218 56.064 56.287 -0.009 0.000 0.849 53 K CB 1.817 34.361 32.500 0.074 0.000 1.347 53 K HN 0.318 nan 8.250 nan 0.000 0.425 54 E N 3.565 123.731 120.200 -0.056 0.000 2.224 54 E HA 0.510 4.842 4.350 -0.030 0.000 0.265 54 E C -1.254 175.316 176.600 -0.050 0.000 0.878 54 E CA -0.782 55.572 56.400 -0.078 0.000 0.759 54 E CB 1.619 31.268 29.700 -0.085 0.000 1.164 54 E HN 0.488 nan 8.360 nan 0.000 0.414 55 V N 0.609 120.489 119.914 -0.057 0.000 2.914 55 V HA 0.930 5.033 4.120 -0.030 0.000 0.314 55 V C 0.211 176.256 176.094 -0.083 0.000 1.084 55 V CA -0.713 61.548 62.300 -0.066 0.000 0.963 55 V CB 1.684 33.465 31.823 -0.070 0.000 1.025 55 V HN 0.595 nan 8.190 nan 0.000 0.432 56 G N 2.005 110.747 108.800 -0.096 0.000 2.434 56 G HA2 0.731 4.673 3.960 -0.030 0.000 0.330 56 G HA3 0.731 4.673 3.960 -0.030 0.000 0.330 56 G C -0.925 173.848 174.900 -0.212 0.000 1.155 56 G CA -0.928 44.105 45.100 -0.112 0.000 0.917 56 G HN 0.754 nan 8.290 nan 0.000 0.493 57 M N -0.029 119.419 119.600 -0.254 0.000 2.518 57 M HA 0.258 4.720 4.480 -0.030 0.000 0.300 57 M C -1.200 174.812 176.300 -0.481 0.000 1.175 57 M CA -0.769 54.307 55.300 -0.373 0.000 0.890 57 M CB 2.855 35.267 32.600 -0.314 0.000 1.710 57 M HN 0.459 nan 8.290 nan 0.000 0.453 58 Y N 1.218 121.166 120.300 -0.587 0.000 2.971 58 Y HA 0.528 5.060 4.550 -0.030 0.000 0.384 58 Y C 0.789 175.864 175.900 -1.375 0.000 1.166 58 Y CA -0.605 56.807 58.100 -1.145 0.000 1.973 58 Y CB -0.839 37.375 38.460 -0.411 0.000 2.082 58 Y HN 0.700 nan 8.280 nan 0.000 0.420 59 G N 0.119 108.036 108.800 -1.473 0.000 2.411 59 G HA2 0.296 4.238 3.960 -0.030 0.000 0.295 59 G HA3 0.296 4.238 3.960 -0.030 0.000 0.295 59 G C -1.466 173.084 174.900 -0.584 0.000 1.542 59 G CA -1.306 43.239 45.100 -0.923 0.000 0.814 59 G HN 0.067 nan 8.290 nan 0.000 0.557 60 K N 1.029 121.306 120.400 -0.205 0.000 2.316 60 K HA 0.316 4.618 4.320 -0.030 0.000 0.289 60 K C 0.251 176.755 176.600 -0.159 0.000 1.070 60 K CA -0.262 55.949 56.287 -0.126 0.000 0.928 60 K CB 1.367 33.820 32.500 -0.077 0.000 1.039 60 K HN 0.358 nan 8.250 nan 0.000 0.480 61 I N 3.381 123.852 120.570 -0.165 0.000 2.578 61 I HA -0.127 4.025 4.170 -0.030 0.000 0.286 61 I C 1.140 177.175 176.117 -0.136 0.000 1.126 61 I CA 0.273 61.476 61.300 -0.162 0.000 1.380 61 I CB 0.740 38.649 38.000 -0.152 0.000 1.408 61 I HN 0.804 nan 8.210 nan 0.000 0.532 62 A N 6.268 129.002 122.820 -0.143 0.000 1.993 62 A HA 0.319 4.621 4.320 -0.030 0.000 0.207 62 A C 0.668 178.199 177.584 -0.089 0.000 1.224 62 A CA 0.406 52.376 52.037 -0.112 0.000 0.749 62 A CB 0.506 19.432 19.000 -0.123 0.000 0.884 62 A HN 0.429 nan 8.150 nan 0.000 0.467 63 V N 0.316 120.156 119.914 -0.123 0.000 2.656 63 V HA 0.581 4.683 4.120 -0.030 0.000 0.307 63 V C -0.639 175.366 176.094 -0.148 0.000 1.051 63 V CA -0.217 62.030 62.300 -0.088 0.000 0.893 63 V CB 1.563 33.376 31.823 -0.017 0.000 0.999 63 V HN 0.519 nan 8.190 nan 0.000 0.426 64 M N 4.597 124.157 119.600 -0.065 0.000 2.122 64 M HA 0.535 4.997 4.480 -0.030 0.000 0.269 64 M C -1.751 174.559 176.300 0.017 0.000 0.954 64 M CA -0.200 55.056 55.300 -0.073 0.000 0.998 64 M CB 1.329 33.875 32.600 -0.091 0.000 1.755 64 M HN 0.602 nan 8.290 nan 0.000 0.459 65 E N 5.008 125.261 120.200 0.089 0.000 2.275 65 E HA 0.458 4.790 4.350 -0.030 0.000 0.270 65 E C -1.388 175.354 176.600 0.238 0.000 0.882 65 E CA -0.604 55.895 56.400 0.166 0.000 0.758 65 E CB 2.914 32.742 29.700 0.213 0.000 1.195 65 E HN 0.743 nan 8.360 nan 0.000 0.419 66 L N 3.297 124.629 121.223 0.183 0.000 2.375 66 L HA 0.544 4.866 4.340 -0.030 0.000 0.271 66 L C -0.148 176.948 176.870 0.376 0.000 1.107 66 L CA -0.619 54.346 54.840 0.208 0.000 0.806 66 L CB 0.261 42.363 42.059 0.072 0.000 1.146 66 L HN 0.507 nan 8.230 nan 0.000 0.447 67 F N 0.312 120.319 119.950 0.095 0.000 2.672 67 F HA 0.526 5.034 4.527 -0.031 0.000 0.311 67 F C -0.945 174.913 175.800 0.096 0.000 1.113 67 F CA -1.142 56.911 58.000 0.089 0.000 0.996 67 F CB 1.368 40.403 39.000 0.059 0.000 1.286 67 F HN 0.256 nan 8.300 nan 0.000 0.441 68 R N 3.547 124.075 120.500 0.048 0.000 2.272 68 R HA 0.525 4.848 4.340 -0.030 0.000 0.323 68 R C -2.802 173.513 176.300 0.025 0.000 1.002 68 R CA -1.826 54.247 56.100 -0.045 0.000 0.900 68 R CB 1.134 31.449 30.300 0.024 0.000 1.151 68 R HN 0.440 nan 8.270 nan 0.000 0.507 69 P HA -0.008 nan 4.420 nan 0.000 0.271 69 P C -0.982 176.338 177.300 0.034 0.000 1.216 69 P CA -0.299 62.843 63.100 0.068 0.000 0.776 69 P CB 0.590 32.329 31.700 0.064 0.000 0.881 70 K N 1.961 122.388 120.400 0.044 0.000 2.511 70 K HA 0.122 4.424 4.320 -0.030 0.000 0.277 70 K C 1.060 177.670 176.600 0.017 0.000 1.025 70 K CA 1.332 57.636 56.287 0.029 0.000 1.112 70 K CB -0.818 31.699 32.500 0.028 0.000 0.859 70 K HN 0.814 nan 8.250 nan 0.000 0.485 71 G N 2.784 111.590 108.800 0.009 0.000 2.160 71 G HA2 -0.205 3.737 3.960 -0.030 0.000 0.244 71 G HA3 -0.205 3.737 3.960 -0.030 0.000 0.244 71 G C -0.482 174.415 174.900 -0.005 0.000 1.022 71 G CA -0.053 45.049 45.100 0.003 0.000 0.741 71 G HN 0.601 nan 8.290 nan 0.000 0.508 72 E N -0.115 120.079 120.200 -0.011 0.000 2.199 72 E HA 0.482 4.814 4.350 -0.030 0.000 0.269 72 E C 1.316 177.902 176.600 -0.024 0.000 0.899 72 E CA 0.037 56.423 56.400 -0.024 0.000 0.772 72 E CB 1.552 31.225 29.700 -0.044 0.000 1.155 72 E HN 0.326 nan 8.360 nan 0.000 0.408 73 S N 2.323 118.007 115.700 -0.027 0.000 2.406 73 S HA -0.076 4.376 4.470 -0.030 0.000 0.228 73 S C 0.731 175.315 174.600 -0.028 0.000 1.020 73 S CA 0.718 58.902 58.200 -0.027 0.000 0.965 73 S CB -0.097 63.086 63.200 -0.028 0.000 0.798 73 S HN 0.524 nan 8.310 nan 0.000 0.488 74 K N -0.157 120.228 120.400 -0.026 0.000 2.522 74 K HA 0.488 4.791 4.320 -0.030 0.000 0.275 74 K C -2.119 174.482 176.600 0.002 0.000 1.006 74 K CA -1.019 55.265 56.287 -0.005 0.000 0.890 74 K CB 0.457 32.948 32.500 -0.016 0.000 1.475 74 K HN -0.227 nan 8.250 nan 0.000 0.441 75 D N 1.055 121.494 120.400 0.065 0.000 2.449 75 D HA 0.159 4.781 4.640 -0.030 0.000 0.236 75 D C -0.109 176.243 176.300 0.087 0.000 1.149 75 D CA 0.205 54.240 54.000 0.058 0.000 0.878 75 D CB 0.473 41.363 40.800 0.151 0.000 1.198 75 D HN 0.329 nan 8.370 nan 0.000 0.446 76 L N 1.135 122.260 121.223 -0.164 0.000 2.332 76 L HA 0.481 4.803 4.340 -0.030 0.000 0.269 76 L C -0.374 176.472 176.870 -0.040 0.000 1.016 76 L CA -1.197 53.577 54.840 -0.111 0.000 0.809 76 L CB 1.159 42.949 42.059 -0.449 0.000 1.280 76 L HN 0.148 nan 8.230 nan 0.000 0.447 77 L N 1.306 122.609 121.223 0.134 0.000 2.325 77 L HA 0.468 4.790 4.340 -0.030 0.000 0.281 77 L C -1.001 176.059 176.870 0.317 0.000 1.004 77 L CA -0.073 54.812 54.840 0.076 0.000 0.823 77 L CB 1.317 43.152 42.059 -0.375 0.000 1.236 77 L HN 0.298 nan 8.230 nan 0.000 0.415 78 F N 6.431 126.546 119.950 0.275 0.000 2.410 78 F HA 0.665 5.174 4.527 -0.031 0.000 0.349 78 F C -0.725 175.091 175.800 0.027 0.000 1.117 78 F CA -0.640 57.449 58.000 0.149 0.000 1.104 78 F CB 0.681 39.690 39.000 0.015 0.000 1.122 78 F HN 0.354 nan 8.300 nan 0.000 0.483 79 I N 7.292 127.373 120.570 -0.814 0.000 2.498 79 I HA 0.309 4.461 4.170 -0.030 0.000 0.290 79 I C -1.528 174.000 176.117 -0.982 0.000 1.032 79 I CA -1.090 59.758 61.300 -0.753 0.000 1.073 79 I CB 1.989 39.772 38.000 -0.363 0.000 1.251 79 I HN 0.460 nan 8.210 nan 0.000 0.426 80 L N 6.028 126.797 121.223 -0.757 0.000 2.322 80 L HA 0.562 4.884 4.340 -0.030 0.000 0.281 80 L C -0.048 176.673 176.870 -0.248 0.000 1.014 80 L CA 0.210 54.802 54.840 -0.413 0.000 0.815 80 L CB 1.879 43.817 42.059 -0.202 0.000 1.247 80 L HN 0.482 nan 8.230 nan 0.000 0.421 81 T N 3.099 117.543 114.554 -0.182 0.000 2.902 81 T HA 0.459 4.791 4.350 -0.030 0.000 0.280 81 T C 1.186 175.761 174.700 -0.207 0.000 0.992 81 T CA 0.280 62.282 62.100 -0.163 0.000 1.015 81 T CB 1.630 70.435 68.868 -0.106 0.000 1.044 81 T HN 0.781 nan 8.240 nan 0.000 0.520 82 A N 1.816 124.520 122.820 -0.194 0.000 2.015 82 A HA 0.004 4.306 4.320 -0.030 0.000 0.219 82 A C 1.796 179.102 177.584 -0.463 0.000 1.163 82 A CA 1.254 53.128 52.037 -0.272 0.000 0.646 82 A CB -0.252 18.683 19.000 -0.109 0.000 0.806 82 A HN 0.753 nan 8.150 nan 0.000 0.448 83 K N -1.595 118.652 120.400 -0.255 0.000 2.437 83 K HA 0.217 4.519 4.320 -0.030 0.000 0.198 83 K C -0.875 175.777 176.600 0.086 0.000 1.024 83 K CA -0.078 56.111 56.287 -0.163 0.000 1.148 83 K CB -0.132 32.333 32.500 -0.059 0.000 0.860 83 K HN 0.556 nan 8.250 nan 0.000 0.515 84 Y N -1.296 119.052 120.300 0.080 0.000 4.569 84 Y HA -0.270 4.262 4.550 -0.030 0.000 0.237 84 Y C -0.353 175.566 175.900 0.032 0.000 1.090 84 Y CA -0.211 57.921 58.100 0.053 0.000 2.052 84 Y CB -2.492 36.015 38.460 0.077 0.000 1.621 84 Y HN 0.222 nan 8.280 nan 0.000 0.682 85 N N 1.740 120.503 118.700 0.105 0.000 2.431 85 N HA 0.498 5.220 4.740 -0.030 0.000 0.265 85 N C 0.213 175.720 175.510 -0.005 0.000 1.184 85 N CA 0.724 53.791 53.050 0.028 0.000 0.943 85 N CB 1.287 39.780 38.487 0.009 0.000 1.080 85 N HN 0.400 nan 8.380 nan 0.000 0.477 86 A N 1.745 124.588 122.820 0.037 0.000 2.312 86 A HA 0.714 5.016 4.320 -0.030 0.000 0.328 86 A C 0.121 177.757 177.584 0.087 0.000 1.158 86 A CA -0.615 51.459 52.037 0.061 0.000 0.821 86 A CB 0.640 19.793 19.000 0.256 0.000 1.170 86 A HN 0.842 nan 8.150 nan 0.000 0.490 87 C N 0.491 119.821 119.300 0.050 0.000 3.171 87 C HA 0.757 5.199 4.460 -0.030 0.000 0.336 87 C C -0.974 174.139 174.990 0.206 0.000 1.198 87 C CA -0.833 58.260 59.018 0.125 0.000 1.319 87 C CB -0.187 27.580 27.740 0.044 0.000 1.682 87 C HN 0.738 nan 8.230 nan 0.000 0.497 88 I N 2.668 123.392 120.570 0.257 0.000 2.362 88 I HA 0.536 4.688 4.170 -0.030 0.000 0.289 88 I C -0.468 175.769 176.117 0.201 0.000 0.994 88 I CA -0.402 61.085 61.300 0.312 0.000 1.158 88 I CB 1.328 39.545 38.000 0.363 0.000 1.315 88 I HN 0.564 nan 8.210 nan 0.000 0.451 89 L N 6.062 127.405 121.223 0.200 0.000 2.346 89 L HA 0.596 4.918 4.340 -0.030 0.000 0.274 89 L C -0.285 176.764 176.870 0.298 0.000 1.007 89 L CA -0.575 54.381 54.840 0.193 0.000 0.818 89 L CB 2.101 44.261 42.059 0.169 0.000 1.284 89 L HN 0.584 nan 8.230 nan 0.000 0.424 90 E N 1.102 121.422 120.200 0.200 0.000 2.238 90 E HA 0.250 4.582 4.350 -0.030 0.000 0.267 90 E C -1.809 174.754 176.600 -0.063 0.000 0.887 90 E CA -0.783 55.674 56.400 0.095 0.000 0.769 90 E CB 2.122 31.826 29.700 0.008 0.000 1.187 90 E HN 0.480 nan 8.360 nan 0.000 0.416 91 Y N 4.027 123.984 120.300 -0.572 0.000 2.393 91 Y HA 0.243 4.776 4.550 -0.028 0.000 0.338 91 Y C -0.737 174.966 175.900 -0.329 0.000 1.029 91 Y CA -0.115 57.631 58.100 -0.591 0.000 1.239 91 Y CB 0.532 38.343 38.460 -1.082 0.000 1.170 91 Y HN 0.189 nan 8.280 nan 0.000 0.515 92 K N 6.450 126.487 120.400 -0.604 0.000 2.358 92 K HA 0.248 4.550 4.320 -0.030 0.000 0.260 92 K C -1.344 174.919 176.600 -0.562 0.000 0.956 92 K CA -0.649 55.386 56.287 -0.421 0.000 0.834 92 K CB 1.841 34.185 32.500 -0.259 0.000 1.102 92 K HN 0.790 nan 8.250 nan 0.000 0.431 93 Q N 1.019 120.625 119.800 -0.323 0.000 2.333 93 Q HA 0.326 4.648 4.340 -0.030 0.000 0.267 93 Q C -1.068 174.858 176.000 -0.123 0.000 1.012 93 Q CA -0.328 55.344 55.803 -0.218 0.000 0.824 93 Q CB 1.623 30.345 28.738 -0.027 0.000 1.290 93 Q HN 0.459 nan 8.270 nan 0.000 0.449 94 S N 3.079 118.709 115.700 -0.117 0.000 2.158 94 S HA 0.554 5.006 4.470 -0.030 0.000 0.160 94 S C 0.348 174.907 174.600 -0.067 0.000 1.693 94 S CA 0.402 58.553 58.200 -0.083 0.000 1.251 94 S CB -0.069 63.080 63.200 -0.086 0.000 1.153 94 S HN 1.081 nan 8.310 nan 0.000 0.439 95 G N 3.883 112.651 108.800 -0.053 0.000 2.687 95 G HA2 -0.280 3.662 3.960 -0.030 0.000 0.303 95 G HA3 -0.280 3.662 3.960 -0.030 0.000 0.303 95 G C 0.575 175.441 174.900 -0.056 0.000 1.209 95 G CA 0.544 45.616 45.100 -0.046 0.000 0.968 95 G HN 0.557 nan 8.290 nan 0.000 0.549 96 E N 1.384 121.548 120.200 -0.061 0.000 2.447 96 E HA 0.204 4.536 4.350 -0.030 0.000 0.195 96 E C 0.901 177.449 176.600 -0.085 0.000 1.028 96 E CA 0.509 56.866 56.400 -0.073 0.000 0.876 96 E CB 0.223 29.884 29.700 -0.066 0.000 0.885 96 E HN 0.311 nan 8.360 nan 0.000 0.500 97 S N 1.212 116.860 115.700 -0.087 0.000 2.481 97 S HA 0.273 4.726 4.470 -0.030 0.000 0.276 97 S C 0.326 174.833 174.600 -0.155 0.000 1.247 97 S CA -0.005 58.132 58.200 -0.105 0.000 1.053 97 S CB 0.490 63.633 63.200 -0.094 0.000 0.925 97 S HN 0.094 nan 8.310 nan 0.000 0.491 98 I N 3.430 123.894 120.570 -0.177 0.000 2.418 98 I HA 0.410 4.563 4.170 -0.030 0.000 0.287 98 I C -0.440 175.513 176.117 -0.274 0.000 1.008 98 I CA -0.337 60.795 61.300 -0.281 0.000 1.104 98 I CB 1.553 39.424 38.000 -0.215 0.000 1.264 98 I HN 0.440 nan 8.210 nan 0.000 0.438 99 D N 6.825 127.002 120.400 -0.372 0.000 2.964 99 D HA 0.363 4.985 4.640 -0.030 0.000 0.234 99 D C -0.823 175.301 176.300 -0.293 0.000 1.223 99 D CA -0.355 53.486 54.000 -0.266 0.000 0.889 99 D CB 3.072 43.757 40.800 -0.193 0.000 1.609 99 D HN 0.180 nan 8.370 nan 0.000 0.523 100 I N 3.768 124.237 120.570 -0.170 0.000 2.281 100 I HA 0.248 4.400 4.170 -0.030 0.000 0.293 100 I C 0.569 176.648 176.117 -0.063 0.000 1.085 100 I CA -0.413 60.841 61.300 -0.077 0.000 1.257 100 I CB 0.163 38.180 38.000 0.028 0.000 1.430 100 I HN 0.281 nan 8.210 nan 0.000 0.489 101 I N 5.698 126.228 120.570 -0.067 0.000 2.532 101 I HA 0.150 4.302 4.170 -0.030 0.000 0.292 101 I C 0.580 176.689 176.117 -0.014 0.000 1.014 101 I CA 0.390 61.657 61.300 -0.055 0.000 1.340 101 I CB 1.241 39.201 38.000 -0.067 0.000 1.422 101 I HN 0.443 nan 8.210 nan 0.000 0.528 102 T N 7.385 121.922 114.554 -0.028 0.000 2.747 102 T HA 0.291 4.623 4.350 -0.030 0.000 0.301 102 T C 1.263 175.980 174.700 0.027 0.000 0.952 102 T CA -0.503 61.593 62.100 -0.006 0.000 0.983 102 T CB 0.663 69.486 68.868 -0.074 0.000 0.930 102 T HN 0.453 nan 8.240 nan 0.000 0.494 103 R N 2.075 122.615 120.500 0.067 0.000 2.055 103 R HA 0.217 4.539 4.340 -0.030 0.000 0.228 103 R C 0.923 177.290 176.300 0.111 0.000 1.143 103 R CA 0.616 56.764 56.100 0.079 0.000 0.945 103 R CB -0.251 30.103 30.300 0.090 0.000 0.841 103 R HN 0.645 nan 8.270 nan 0.000 0.429 104 A N 1.383 124.293 122.820 0.149 0.000 2.435 104 A HA 0.604 4.906 4.320 -0.030 0.000 0.304 104 A C -1.051 176.673 177.584 0.233 0.000 1.064 104 A CA -0.656 51.484 52.037 0.171 0.000 0.727 104 A CB 1.506 20.586 19.000 0.132 0.000 1.284 104 A HN 0.539 nan 8.150 nan 0.000 0.415 105 H N -0.243 118.855 119.070 0.045 0.000 3.079 105 H HA 0.749 5.287 4.556 -0.030 0.000 0.356 105 H C -0.713 174.622 175.328 0.013 0.000 1.221 105 H CA -0.306 55.760 56.048 0.030 0.000 1.185 105 H CB 1.321 31.085 29.762 0.004 0.000 1.882 105 H HN 1.731 nan 8.280 nan 0.000 0.543 106 G N 1.612 110.331 108.800 -0.135 0.000 2.442 106 G HA2 0.097 4.039 3.960 -0.030 0.000 0.296 106 G HA3 0.097 4.039 3.960 -0.030 0.000 0.296 106 G C -1.819 173.041 174.900 -0.067 0.000 1.564 106 G CA -1.013 43.975 45.100 -0.187 0.000 0.828 106 G HN 0.682 nan 8.290 nan 0.000 0.571 107 N N 0.390 119.038 118.700 -0.086 0.000 2.434 107 N HA 0.273 4.995 4.740 -0.030 0.000 0.272 107 N C 1.068 176.582 175.510 0.007 0.000 1.040 107 N CA -0.066 52.962 53.050 -0.036 0.000 0.956 107 N CB 1.806 40.232 38.487 -0.102 0.000 1.108 107 N HN 0.811 nan 8.380 nan 0.000 0.481 108 V N 1.108 121.061 119.914 0.065 0.000 3.249 108 V HA 0.252 4.354 4.120 -0.030 0.000 0.338 108 V C 0.832 176.924 176.094 -0.004 0.000 1.363 108 V CA -0.464 61.857 62.300 0.036 0.000 1.205 108 V CB -0.697 31.155 31.823 0.049 0.000 1.164 108 V HN 0.550 nan 8.190 nan 0.000 0.458 109 Q N 1.508 121.303 119.800 -0.009 0.000 2.369 109 Q HA 0.062 4.384 4.340 -0.030 0.000 0.295 109 Q C -0.720 175.228 176.000 -0.087 0.000 1.075 109 Q CA 0.712 56.439 55.803 -0.126 0.000 0.941 109 Q CB 0.522 29.262 28.738 0.003 0.000 1.260 109 Q HN 0.548 nan 8.270 nan 0.000 0.417 110 D N 2.369 122.692 120.400 -0.128 0.000 2.349 110 D HA 0.121 4.743 4.640 -0.030 0.000 0.232 110 D C 0.689 176.847 176.300 -0.236 0.000 1.071 110 D CA -0.413 53.443 54.000 -0.240 0.000 0.832 110 D CB 1.106 41.600 40.800 -0.510 0.000 1.086 110 D HN 0.322 nan 8.370 nan 0.000 0.504 111 R N 1.291 121.715 120.500 -0.127 0.000 2.119 111 R HA -0.101 4.221 4.340 -0.030 0.000 0.246 111 R C 0.529 176.774 176.300 -0.092 0.000 1.146 111 R CA 0.917 56.979 56.100 -0.063 0.000 0.962 111 R CB -0.192 30.089 30.300 -0.033 0.000 0.863 111 R HN 0.411 nan 8.270 nan 0.000 0.442 112 I N -0.699 119.770 120.570 -0.169 0.000 2.466 112 I HA 0.488 4.640 4.170 -0.030 0.000 0.289 112 I C -0.506 175.417 176.117 -0.323 0.000 1.026 112 I CA -0.026 61.171 61.300 -0.172 0.000 1.078 112 I CB 2.095 40.034 38.000 -0.102 0.000 1.249 112 I HN 0.246 nan 8.210 nan 0.000 0.429 113 G N 5.550 114.157 108.800 -0.322 0.000 2.402 113 G HA2 0.278 4.220 3.960 -0.030 0.000 0.301 113 G HA3 0.278 4.220 3.960 -0.030 0.000 0.301 113 G C -1.803 173.028 174.900 -0.114 0.000 1.615 113 G CA -1.095 43.732 45.100 -0.455 0.000 0.889 113 G HN 0.612 nan 8.290 nan 0.000 0.647 114 R N 2.138 122.677 120.500 0.064 0.000 2.198 114 R HA 0.531 4.853 4.340 -0.030 0.000 0.339 114 R C -2.354 174.140 176.300 0.324 0.000 1.020 114 R CA -1.572 54.633 56.100 0.175 0.000 0.864 114 R CB 0.780 31.141 30.300 0.101 0.000 1.105 114 R HN 0.242 nan 8.270 nan 0.000 0.463 115 P HA 0.001 nan 4.420 nan 0.000 0.264 115 P C -0.691 176.684 177.300 0.125 0.000 1.193 115 P CA 0.213 63.439 63.100 0.210 0.000 0.763 115 P CB 1.056 32.868 31.700 0.187 0.000 0.810 116 S N 1.792 117.539 115.700 0.078 0.000 2.589 116 S HA 0.016 4.468 4.470 -0.030 0.000 0.265 116 S C 1.427 176.069 174.600 0.071 0.000 1.342 116 S CA -0.391 57.858 58.200 0.081 0.000 1.005 116 S CB 0.337 63.574 63.200 0.062 0.000 0.909 116 S HN 0.476 nan 8.310 nan 0.000 0.555 117 E N 0.753 121.003 120.200 0.082 0.000 2.112 117 E HA -0.098 4.234 4.350 -0.030 0.000 0.190 117 E C 1.714 178.345 176.600 0.051 0.000 0.979 117 E CA 1.377 57.814 56.400 0.062 0.000 0.814 117 E CB -0.156 29.584 29.700 0.066 0.000 0.762 117 E HN 0.823 nan 8.360 nan 0.000 0.460 118 T N -1.411 113.180 114.554 0.061 0.000 3.252 118 T HA 0.327 4.659 4.350 -0.030 0.000 0.250 118 T C 0.872 175.598 174.700 0.043 0.000 1.123 118 T CA 0.115 62.247 62.100 0.053 0.000 1.006 118 T CB 0.108 69.015 68.868 0.065 0.000 0.992 118 T HN 0.287 nan 8.240 nan 0.000 0.547 119 G N 1.574 110.396 108.800 0.038 0.000 2.782 119 G HA2 -0.157 3.785 3.960 -0.030 0.000 0.228 119 G HA3 -0.157 3.785 3.960 -0.030 0.000 0.228 119 G C -0.434 174.474 174.900 0.013 0.000 1.372 119 G CA -0.633 44.483 45.100 0.025 0.000 0.862 119 G HN 0.627 nan 8.290 nan 0.000 0.547 120 I N 0.461 121.029 120.570 -0.002 0.000 2.683 120 I HA 0.218 4.371 4.170 -0.030 0.000 0.286 120 I C 0.789 176.911 176.117 0.009 0.000 1.175 120 I CA 0.630 61.924 61.300 -0.010 0.000 1.429 120 I CB 0.131 38.114 38.000 -0.028 0.000 1.371 120 I HN 0.335 nan 8.210 nan 0.000 0.569 121 I N 5.593 126.172 120.570 0.015 0.000 2.436 121 I HA 0.474 4.626 4.170 -0.030 0.000 0.289 121 I C 0.324 176.467 176.117 0.043 0.000 1.010 121 I CA -0.429 60.896 61.300 0.041 0.000 1.098 121 I CB 1.899 39.935 38.000 0.060 0.000 1.266 121 I HN 0.605 nan 8.210 nan 0.000 0.434 122 G N 7.368 116.216 108.800 0.079 0.000 2.478 122 G HA2 0.799 4.741 3.960 -0.030 0.000 0.317 122 G HA3 0.799 4.741 3.960 -0.030 0.000 0.317 122 G C -0.820 174.155 174.900 0.125 0.000 1.259 122 G CA -0.466 44.703 45.100 0.114 0.000 0.933 122 G HN 0.647 nan 8.290 nan 0.000 0.478 123 I N -0.719 119.921 120.570 0.117 0.000 2.828 123 I HA 0.748 4.900 4.170 -0.030 0.000 0.302 123 I C -1.120 175.120 176.117 0.206 0.000 1.101 123 I CA -1.574 59.846 61.300 0.199 0.000 1.031 123 I CB 2.691 40.841 38.000 0.251 0.000 1.231 123 I HN 0.242 nan 8.210 nan 0.000 0.427 124 I N 3.377 124.031 120.570 0.139 0.000 2.466 124 I HA 0.255 4.407 4.170 -0.030 0.000 0.289 124 I C -0.636 175.320 176.117 -0.268 0.000 1.026 124 I CA -0.684 60.525 61.300 -0.152 0.000 1.078 124 I CB 1.924 39.748 38.000 -0.293 0.000 1.249 124 I HN 0.683 nan 8.210 nan 0.000 0.429 125 D N 6.497 126.383 120.400 -0.855 0.000 2.382 125 D HA 0.064 4.686 4.640 -0.030 0.000 0.240 125 D C -2.134 173.932 176.300 -0.391 0.000 1.146 125 D CA -1.349 52.097 54.000 -0.923 0.000 0.897 125 D CB 1.127 41.184 40.800 -1.238 0.000 1.197 125 D HN 0.197 nan 8.370 nan 0.000 0.432 126 P HA -0.102 nan 4.420 nan 0.000 0.221 126 P C 0.594 177.869 177.300 -0.042 0.000 1.145 126 P CA 1.150 64.155 63.100 -0.158 0.000 0.795 126 P CB 0.166 31.733 31.700 -0.221 0.000 0.775 127 E N -2.183 117.963 120.200 -0.090 0.000 2.479 127 E HA 0.093 4.426 4.350 -0.030 0.000 0.193 127 E C -0.043 176.537 176.600 -0.032 0.000 1.049 127 E CA -0.135 56.244 56.400 -0.036 0.000 0.870 127 E CB -0.410 29.267 29.700 -0.038 0.000 0.944 127 E HN 0.063 nan 8.360 nan 0.000 0.492 128 C N 1.090 120.350 119.300 -0.066 0.000 4.350 128 C HA -0.186 4.257 4.460 -0.030 0.000 0.302 128 C C 1.515 176.464 174.990 -0.068 0.000 1.390 128 C CA 0.418 59.417 59.018 -0.031 0.000 2.016 128 C CB -2.311 25.532 27.740 0.170 0.000 1.271 128 C HN 0.516 nan 8.230 nan 0.000 0.760 129 R N -0.055 120.359 120.500 -0.142 0.000 2.254 129 R HA 0.234 4.556 4.340 -0.030 0.000 0.195 129 R C 0.756 176.977 176.300 -0.132 0.000 0.957 129 R CA 1.243 57.280 56.100 -0.106 0.000 1.024 129 R CB 0.159 30.404 30.300 -0.091 0.000 0.952 129 R HN 0.858 nan 8.270 nan 0.000 0.484 130 M N -1.538 117.922 119.600 -0.232 0.000 2.732 130 M HA 0.377 4.839 4.480 -0.030 0.000 0.272 130 M C -1.784 174.316 176.300 -0.333 0.000 1.203 130 M CA -0.771 54.391 55.300 -0.231 0.000 0.841 130 M CB 1.822 34.346 32.600 -0.128 0.000 1.685 130 M HN -0.223 nan 8.290 nan 0.000 0.492 131 I N 1.665 122.033 120.570 -0.337 0.000 2.354 131 I HA 0.600 4.753 4.170 -0.030 0.000 0.292 131 I C 0.437 176.422 176.117 -0.220 0.000 0.989 131 I CA -0.579 60.489 61.300 -0.388 0.000 1.188 131 I CB 1.921 39.487 38.000 -0.723 0.000 1.342 131 I HN 0.868 nan 8.210 nan 0.000 0.457 132 G N 6.802 115.606 108.800 0.006 0.000 2.332 132 G HA2 0.628 4.570 3.960 -0.030 0.000 0.310 132 G HA3 0.628 4.570 3.960 -0.030 0.000 0.310 132 G C -1.128 173.535 174.900 -0.395 0.000 1.123 132 G CA -0.288 44.704 45.100 -0.181 0.000 0.873 132 G HN 0.274 nan 8.290 nan 0.000 0.460 133 L N 2.464 123.225 121.223 -0.771 0.000 2.372 133 L HA 0.488 4.810 4.340 -0.030 0.000 0.274 133 L C -0.114 176.465 176.870 -0.486 0.000 0.988 133 L CA -0.977 53.595 54.840 -0.447 0.000 0.833 133 L CB 1.869 43.752 42.059 -0.292 0.000 1.236 133 L HN 0.426 nan 8.230 nan 0.000 0.410 134 R N 4.538 124.920 120.500 -0.197 0.000 2.280 134 R HA 0.415 4.737 4.340 -0.030 0.000 0.326 134 R C -0.032 176.206 176.300 -0.103 0.000 1.080 134 R CA -0.065 55.993 56.100 -0.070 0.000 1.002 134 R CB 0.362 30.701 30.300 0.064 0.000 1.136 134 R HN 0.768 nan 8.270 nan 0.000 0.509 135 L N 3.527 124.632 121.223 -0.197 0.000 2.467 135 L HA 0.287 4.609 4.340 -0.030 0.000 0.213 135 L C -0.156 176.346 176.870 -0.614 0.000 1.053 135 L CA 0.346 54.917 54.840 -0.447 0.000 0.847 135 L CB 0.141 41.764 42.059 -0.726 0.000 1.075 135 L HN 0.386 nan 8.230 nan 0.000 0.479 136 Y N -1.086 119.221 120.300 0.010 0.000 2.576 136 Y HA 0.337 4.870 4.550 -0.029 0.000 0.346 136 Y C -0.409 175.496 175.900 0.008 0.000 1.018 136 Y CA -1.644 56.462 58.100 0.009 0.000 1.050 136 Y CB 0.892 39.338 38.460 -0.024 0.000 1.280 136 Y HN -0.170 nan 8.280 nan 0.000 0.474 137 D N 0.871 121.376 120.400 0.175 0.000 2.455 137 D HA 0.269 4.891 4.640 -0.030 0.000 0.241 137 D C 1.102 177.434 176.300 0.053 0.000 1.138 137 D CA 1.879 55.927 54.000 0.079 0.000 0.877 137 D CB 1.051 41.884 40.800 0.054 0.000 1.187 137 D HN 0.911 nan 8.370 nan 0.000 0.451 138 G N 1.603 110.410 108.800 0.011 0.000 2.179 138 G HA2 -0.245 3.697 3.960 -0.030 0.000 0.260 138 G HA3 -0.245 3.697 3.960 -0.030 0.000 0.260 138 G C 0.118 175.036 174.900 0.030 0.000 0.977 138 G CA 0.013 45.114 45.100 0.001 0.000 0.641 138 G HN 0.454 nan 8.290 nan 0.000 0.533 139 L N -0.944 120.320 121.223 0.068 0.000 2.431 139 L HA 0.728 5.051 4.340 -0.030 0.000 0.266 139 L C -1.022 175.928 176.870 0.134 0.000 0.978 139 L CA -1.138 53.751 54.840 0.082 0.000 0.822 139 L CB 2.125 44.230 42.059 0.077 0.000 1.310 139 L HN 0.050 nan 8.230 nan 0.000 0.409 140 F N 3.370 123.279 119.950 -0.068 0.000 2.403 140 F HA 0.428 4.937 4.527 -0.031 0.000 0.355 140 F C 0.069 175.768 175.800 -0.168 0.000 1.119 140 F CA -0.681 57.265 58.000 -0.090 0.000 1.007 140 F CB 1.215 40.209 39.000 -0.010 0.000 1.194 140 F HN 0.312 nan 8.300 nan 0.000 0.443 141 K N 4.825 124.914 120.400 -0.518 0.000 2.249 141 K HA 0.643 4.945 4.320 -0.030 0.000 0.280 141 K C -1.581 174.587 176.600 -0.720 0.000 1.033 141 K CA -0.414 55.575 56.287 -0.497 0.000 0.946 141 K CB 1.056 33.369 32.500 -0.312 0.000 1.005 141 K HN 0.503 nan 8.250 nan 0.000 0.469 142 V N 6.391 125.865 119.914 -0.732 0.000 2.483 142 V HA 0.344 4.446 4.120 -0.030 0.000 0.297 142 V C -0.481 175.260 176.094 -0.588 0.000 1.027 142 V CA -0.753 61.115 62.300 -0.719 0.000 0.855 142 V CB 1.467 32.732 31.823 -0.931 0.000 0.995 142 V HN 0.689 nan 8.190 nan 0.000 0.424 143 I N 7.221 127.570 120.570 -0.368 0.000 2.307 143 I HA 0.355 4.507 4.170 -0.030 0.000 0.289 143 I C -2.411 173.599 176.117 -0.178 0.000 1.021 143 I CA -1.953 59.201 61.300 -0.242 0.000 1.224 143 I CB 1.794 39.652 38.000 -0.236 0.000 1.376 143 I HN 0.382 nan 8.210 nan 0.000 0.470 144 P HA 0.134 nan 4.420 nan 0.000 0.271 144 P C -0.346 176.926 177.300 -0.046 0.000 1.216 144 P CA -0.139 62.950 63.100 -0.020 0.000 0.776 144 P CB 0.617 32.360 31.700 0.071 0.000 0.881 145 L N 3.126 124.318 121.223 -0.053 0.000 2.783 145 L HA 0.238 4.560 4.340 -0.030 0.000 0.235 145 L C 0.088 176.964 176.870 0.010 0.000 1.260 145 L CA -0.278 54.546 54.840 -0.028 0.000 1.184 145 L CB -0.355 41.679 42.059 -0.042 0.000 1.472 145 L HN 0.219 nan 8.230 nan 0.000 0.426 146 D N 0.363 120.771 120.400 0.014 0.000 2.264 146 D HA 0.140 4.762 4.640 -0.030 0.000 0.249 146 D C 1.108 177.424 176.300 0.027 0.000 1.070 146 D CA -0.537 53.475 54.000 0.020 0.000 0.912 146 D CB 1.510 42.320 40.800 0.017 0.000 1.193 146 D HN 0.094 nan 8.370 nan 0.000 0.427 147 R N 0.745 121.261 120.500 0.026 0.000 2.153 147 R HA -0.169 4.153 4.340 -0.030 0.000 0.252 147 R C 0.401 176.716 176.300 0.026 0.000 1.158 147 R CA 1.405 57.521 56.100 0.028 0.000 0.975 147 R CB 0.039 30.352 30.300 0.021 0.000 0.871 147 R HN 0.482 nan 8.270 nan 0.000 0.450 148 D N -0.417 119.995 120.400 0.020 0.000 2.339 148 D HA -0.042 4.580 4.640 -0.030 0.000 0.217 148 D C 0.299 176.609 176.300 0.017 0.000 1.050 148 D CA 0.177 54.188 54.000 0.017 0.000 0.856 148 D CB -0.283 40.523 40.800 0.011 0.000 0.922 148 D HN -0.005 nan 8.370 nan 0.000 0.518 149 N N 1.414 120.126 118.700 0.019 0.000 3.193 149 N HA -0.004 4.718 4.740 -0.030 0.000 0.312 149 N C 0.870 176.392 175.510 0.021 0.000 1.261 149 N CA 0.107 53.166 53.050 0.015 0.000 1.208 149 N CB -0.053 38.440 38.487 0.011 0.000 1.471 149 N HN 0.060 nan 8.380 nan 0.000 0.548 150 K N -0.114 120.298 120.400 0.021 0.000 2.366 150 K HA 0.029 4.331 4.320 -0.030 0.000 0.198 150 K C 0.475 177.080 176.600 0.008 0.000 1.044 150 K CA 0.745 57.053 56.287 0.035 0.000 0.973 150 K CB 0.429 32.954 32.500 0.042 0.000 0.767 150 K HN 0.416 nan 8.250 nan 0.000 0.475 151 E N 0.553 120.734 120.200 -0.033 0.000 2.476 151 E HA 0.125 4.457 4.350 -0.030 0.000 0.196 151 E C -0.408 176.138 176.600 -0.090 0.000 1.029 151 E CA -0.119 56.217 56.400 -0.107 0.000 0.896 151 E CB 0.224 29.865 29.700 -0.099 0.000 1.012 151 E HN 0.131 nan 8.360 nan 0.000 0.475 152 L N 1.657 122.859 121.223 -0.035 0.000 3.762 152 L HA -0.282 4.040 4.340 -0.030 0.000 0.460 152 L C -0.199 176.650 176.870 -0.034 0.000 1.255 152 L CA 0.613 55.441 54.840 -0.021 0.000 0.783 152 L CB -1.448 40.619 42.059 0.013 0.000 1.600 152 L HN 0.132 nan 8.230 nan 0.000 0.862 153 K N 0.560 120.944 120.400 -0.028 0.000 2.355 153 K HA 0.634 4.936 4.320 -0.030 0.000 0.270 153 K C 0.468 177.062 176.600 -0.010 0.000 1.003 153 K CA 0.435 56.712 56.287 -0.017 0.000 0.957 153 K CB 1.066 33.565 32.500 -0.002 0.000 0.939 153 K HN 0.378 nan 8.250 nan 0.000 0.482 154 A N 2.088 124.903 122.820 -0.008 0.000 2.527 154 A HA 0.759 5.061 4.320 -0.030 0.000 0.293 154 A C -1.377 176.233 177.584 0.044 0.000 1.117 154 A CA -0.855 51.151 52.037 -0.051 0.000 0.723 154 A CB 0.839 19.759 19.000 -0.133 0.000 1.313 154 A HN 0.648 nan 8.150 nan 0.000 0.411 155 F N -0.608 119.294 119.950 -0.080 0.000 2.588 155 F HA 0.721 5.230 4.527 -0.030 0.000 0.314 155 F C -0.583 175.158 175.800 -0.098 0.000 1.069 155 F CA -1.054 56.897 58.000 -0.083 0.000 0.931 155 F CB 1.270 40.221 39.000 -0.081 0.000 1.260 155 F HN 0.523 nan 8.300 nan 0.000 0.465 156 N N 1.637 120.378 118.700 0.067 0.000 2.473 156 N HA 0.628 5.350 4.740 -0.030 0.000 0.291 156 N C -1.247 174.296 175.510 0.054 0.000 1.083 156 N CA -0.694 52.343 53.050 -0.022 0.000 0.951 156 N CB 1.770 40.247 38.487 -0.017 0.000 1.164 156 N HN 0.495 nan 8.380 nan 0.000 0.480 157 I N 1.566 122.099 120.570 -0.062 0.000 2.433 157 I HA 0.334 4.486 4.170 -0.030 0.000 0.292 157 I C 0.125 176.164 176.117 -0.131 0.000 1.001 157 I CA -0.844 60.350 61.300 -0.176 0.000 1.119 157 I CB 1.640 39.291 38.000 -0.582 0.000 1.289 157 I HN 0.309 nan 8.210 nan 0.000 0.438 158 R N 5.504 125.943 120.500 -0.101 0.000 2.489 158 R HA 0.347 4.669 4.340 -0.030 0.000 0.287 158 R C -0.779 175.533 176.300 0.019 0.000 1.053 158 R CA -0.136 55.944 56.100 -0.033 0.000 1.036 158 R CB 0.595 30.877 30.300 -0.030 0.000 0.966 158 R HN 0.494 nan 8.270 nan 0.000 0.432 159 L N 3.334 124.584 121.223 0.046 0.000 2.316 159 L HA 0.156 4.478 4.340 -0.030 0.000 0.280 159 L C 0.811 177.677 176.870 -0.007 0.000 1.006 159 L CA -0.197 54.672 54.840 0.049 0.000 0.836 159 L CB 1.476 43.553 42.059 0.030 0.000 1.221 159 L HN 0.738 nan 8.230 nan 0.000 0.418 160 E N 1.707 121.906 120.200 -0.001 0.000 2.150 160 E HA -0.146 4.186 4.350 -0.030 0.000 0.193 160 E C -0.262 176.307 176.600 -0.053 0.000 0.985 160 E CA 0.846 57.238 56.400 -0.013 0.000 0.814 160 E CB 0.317 30.025 29.700 0.013 0.000 0.752 160 E HN 0.547 nan 8.360 nan 0.000 0.466 161 E N 0.614 120.760 120.200 -0.090 0.000 2.166 161 E HA 0.021 4.353 4.350 -0.030 0.000 0.279 161 E C 0.417 176.952 176.600 -0.108 0.000 1.095 161 E CA 0.056 56.364 56.400 -0.154 0.000 0.888 161 E CB 0.672 30.159 29.700 -0.355 0.000 1.041 161 E HN 0.149 nan 8.360 nan 0.000 0.414 162 L N 2.769 123.885 121.223 -0.178 0.000 2.375 162 L HA 0.017 4.339 4.340 -0.030 0.000 0.215 162 L C 0.421 177.058 176.870 -0.390 0.000 1.108 162 L CA 0.466 55.101 54.840 -0.342 0.000 0.830 162 L CB 0.110 41.857 42.059 -0.520 0.000 0.959 162 L HN 0.519 nan 8.230 nan 0.000 0.457 163 H N 0.149 119.307 119.070 0.147 0.000 2.418 163 H HA 0.324 4.862 4.556 -0.030 0.000 0.238 163 H C -0.600 174.852 175.328 0.207 0.000 1.403 163 H CA -0.437 55.703 56.048 0.153 0.000 1.419 163 H CB 0.510 30.359 29.762 0.145 0.000 1.463 163 H HN -0.173 nan 8.280 nan 0.000 0.515 164 V N 3.907 123.959 119.914 0.231 0.000 2.488 164 V HA -0.023 4.079 4.120 -0.030 0.000 0.277 164 V C 1.473 177.688 176.094 0.203 0.000 1.046 164 V CA -0.199 62.248 62.300 0.244 0.000 0.986 164 V CB 1.032 32.907 31.823 0.086 0.000 0.989 164 V HN 0.526 nan 8.190 nan 0.000 0.475 165 I N 2.194 122.892 120.570 0.214 0.000 2.270 165 I HA 0.179 4.331 4.170 -0.030 0.000 0.239 165 I C 0.693 176.886 176.117 0.126 0.000 1.080 165 I CA 1.223 62.608 61.300 0.142 0.000 1.383 165 I CB -0.344 37.719 38.000 0.104 0.000 1.097 165 I HN 0.666 nan 8.210 nan 0.000 0.420 166 D N -0.614 119.874 120.400 0.148 0.000 2.736 166 D HA 0.520 5.142 4.640 -0.030 0.000 0.223 166 D C -1.265 175.128 176.300 0.154 0.000 1.231 166 D CA -0.161 53.917 54.000 0.130 0.000 0.818 166 D CB 2.581 43.448 40.800 0.111 0.000 1.587 166 D HN -0.187 nan 8.370 nan 0.000 0.463 167 V N 2.176 122.162 119.914 0.121 0.000 2.789 167 V HA 0.716 4.818 4.120 -0.030 0.000 0.311 167 V C -0.433 175.694 176.094 0.055 0.000 1.073 167 V CA -0.881 61.473 62.300 0.090 0.000 0.921 167 V CB 2.020 33.866 31.823 0.038 0.000 1.009 167 V HN 0.399 nan 8.190 nan 0.000 0.426 168 K N 2.085 122.491 120.400 0.009 0.000 2.469 168 K HA 0.591 4.893 4.320 -0.030 0.000 0.254 168 K C -1.263 175.286 176.600 -0.086 0.000 0.939 168 K CA -0.546 55.752 56.287 0.018 0.000 0.812 168 K CB 2.703 35.261 32.500 0.097 0.000 1.301 168 K HN 0.539 nan 8.250 nan 0.000 0.433 169 F N 1.795 121.746 119.950 0.001 0.000 2.495 169 F HA 0.191 4.700 4.527 -0.031 0.000 0.365 169 F C 1.072 176.792 175.800 -0.133 0.000 1.090 169 F CA -0.327 57.630 58.000 -0.072 0.000 1.235 169 F CB 0.474 39.415 39.000 -0.098 0.000 1.119 169 F HN 0.124 nan 8.300 nan 0.000 0.562 170 L N 3.890 125.148 121.223 0.058 0.000 2.418 170 L HA 0.235 4.557 4.340 -0.030 0.000 0.265 170 L C -0.495 176.361 176.870 -0.024 0.000 1.143 170 L CA -0.571 54.284 54.840 0.025 0.000 0.809 170 L CB 0.571 42.594 42.059 -0.059 0.000 1.124 170 L HN 0.490 nan 8.230 nan 0.000 0.456 171 Y N -0.374 120.015 120.300 0.148 0.000 2.374 171 Y HA 0.413 4.949 4.550 -0.022 0.000 0.322 171 Y C 1.242 177.223 175.900 0.135 0.000 1.275 171 Y CA 0.314 58.497 58.100 0.138 0.000 1.307 171 Y CB 1.307 39.859 38.460 0.154 0.000 1.282 171 Y HN 0.745 nan 8.280 nan 0.000 0.509 172 G N -0.215 108.756 108.800 0.285 0.000 2.153 172 G HA2 -0.281 3.661 3.960 -0.030 0.000 0.252 172 G HA3 -0.281 3.661 3.960 -0.030 0.000 0.252 172 G C -0.374 174.618 174.900 0.154 0.000 0.994 172 G CA -0.037 45.185 45.100 0.204 0.000 0.698 172 G HN 0.653 nan 8.290 nan 0.000 0.521 173 C N -0.584 118.786 119.300 0.118 0.000 2.365 173 C HA 0.605 5.047 4.460 -0.030 0.000 0.349 173 C C 1.832 176.859 174.990 0.061 0.000 1.191 173 C CA -0.308 58.757 59.018 0.078 0.000 2.114 173 C CB 1.625 29.385 27.740 0.032 0.000 2.367 173 C HN 0.619 nan 8.230 nan 0.000 0.530 174 Q N 1.259 121.091 119.800 0.054 0.000 2.020 174 Q HA 0.100 4.422 4.340 -0.030 0.000 0.198 174 Q C 0.791 176.814 176.000 0.038 0.000 0.974 174 Q CA 1.477 57.307 55.803 0.046 0.000 0.829 174 Q CB -0.114 28.651 28.738 0.045 0.000 0.894 174 Q HN 0.880 nan 8.270 nan 0.000 0.433 175 A N 0.653 123.496 122.820 0.039 0.000 2.306 175 A HA 0.546 4.848 4.320 -0.030 0.000 0.330 175 A C -2.442 175.174 177.584 0.054 0.000 1.146 175 A CA -1.850 50.214 52.037 0.045 0.000 0.827 175 A CB 0.250 19.282 19.000 0.054 0.000 1.178 175 A HN -0.044 nan 8.150 nan 0.000 0.490 176 P HA 0.088 nan 4.420 nan 0.000 0.256 176 P C -0.567 176.858 177.300 0.209 0.000 1.173 176 P CA 1.032 64.204 63.100 0.120 0.000 0.768 176 P CB 0.205 31.969 31.700 0.107 0.000 0.758 177 T N 4.760 119.434 114.554 0.201 0.000 2.812 177 T HA 0.588 4.920 4.350 -0.030 0.000 0.282 177 T C 0.331 175.024 174.700 -0.011 0.000 0.990 177 T CA -0.574 61.554 62.100 0.046 0.000 0.960 177 T CB 0.581 69.385 68.868 -0.107 0.000 0.948 177 T HN 0.223 nan 8.240 nan 0.000 0.438 178 I N -0.207 120.261 120.570 -0.169 0.000 2.437 178 I HA 0.796 4.948 4.170 -0.030 0.000 0.298 178 I C -0.263 175.720 176.117 -0.223 0.000 0.984 178 I CA -0.786 60.323 61.300 -0.318 0.000 1.214 178 I CB 1.192 38.875 38.000 -0.529 0.000 1.365 178 I HN 0.627 nan 8.210 nan 0.000 0.469 179 C N 8.030 127.229 119.300 -0.169 0.000 2.346 179 C HA 0.821 5.263 4.460 -0.030 0.000 0.326 179 C C -0.525 174.468 174.990 0.005 0.000 1.224 179 C CA -0.611 58.306 59.018 -0.168 0.000 1.408 179 C CB -0.004 27.609 27.740 -0.212 0.000 2.089 179 C HN 0.811 nan 8.230 nan 0.000 0.456 180 F N 4.340 124.201 119.950 -0.147 0.000 2.599 180 F HA 0.841 5.350 4.527 -0.030 0.000 0.311 180 F C -1.147 174.662 175.800 0.016 0.000 1.076 180 F CA -1.124 56.839 58.000 -0.063 0.000 0.937 180 F CB 0.922 39.879 39.000 -0.072 0.000 1.282 180 F HN 0.265 nan 8.300 nan 0.000 0.460 181 V N 3.113 123.116 119.914 0.148 0.000 2.481 181 V HA 0.480 4.582 4.120 -0.030 0.000 0.286 181 V C -0.788 175.495 176.094 0.315 0.000 1.042 181 V CA -0.614 61.726 62.300 0.066 0.000 0.928 181 V CB 1.067 32.889 31.823 -0.002 0.000 0.986 181 V HN 0.873 nan 8.190 nan 0.000 0.462 182 Y N 1.596 121.972 120.300 0.126 0.000 2.581 182 Y HA 0.760 5.292 4.550 -0.030 0.000 0.345 182 Y C -0.658 175.335 175.900 0.155 0.000 1.036 182 Y CA -1.211 57.020 58.100 0.218 0.000 1.042 182 Y CB 1.729 40.396 38.460 0.346 0.000 1.289 182 Y HN 0.537 nan 8.280 nan 0.000 0.471 183 Q N 2.181 122.147 119.800 0.277 0.000 2.337 183 Q HA 0.492 4.815 4.340 -0.030 0.000 0.266 183 Q C -1.871 174.324 176.000 0.325 0.000 1.023 183 Q CA -0.727 55.158 55.803 0.138 0.000 0.829 183 Q CB 1.887 30.661 28.738 0.060 0.000 1.306 183 Q HN 0.926 nan 8.270 nan 0.000 0.449 184 D N 2.123 122.669 120.400 0.244 0.000 2.636 184 D HA 0.406 5.028 4.640 -0.030 0.000 0.275 184 D C -2.302 174.088 176.300 0.150 0.000 1.130 184 D CA -1.666 52.501 54.000 0.280 0.000 1.031 184 D CB 0.562 41.581 40.800 0.366 0.000 1.451 184 D HN 0.204 nan 8.370 nan 0.000 0.505 185 P HA -0.091 nan 4.420 nan 0.000 0.223 185 P C 0.450 177.791 177.300 0.068 0.000 1.144 185 P CA 1.246 64.391 63.100 0.077 0.000 0.783 185 P CB 0.129 31.874 31.700 0.075 0.000 0.771 186 Q N -0.963 118.908 119.800 0.118 0.000 2.247 186 Q HA 0.365 4.687 4.340 -0.030 0.000 0.205 186 Q C 1.109 177.118 176.000 0.014 0.000 0.896 186 Q CA 0.471 56.340 55.803 0.111 0.000 0.950 186 Q CB -0.241 28.612 28.738 0.191 0.000 1.054 186 Q HN 0.174 nan 8.270 nan 0.000 0.482 187 G N 0.896 109.657 108.800 -0.065 0.000 2.482 187 G HA2 -0.224 3.718 3.960 -0.030 0.000 0.214 187 G HA3 -0.224 3.718 3.960 -0.030 0.000 0.214 187 G C -1.001 173.639 174.900 -0.433 0.000 1.271 187 G CA -0.568 44.401 45.100 -0.218 0.000 0.944 187 G HN 0.332 nan 8.290 nan 0.000 0.568 188 R N 0.077 120.223 120.500 -0.590 0.000 2.778 188 R HA 0.846 5.168 4.340 -0.030 0.000 0.277 188 R C -0.671 175.036 176.300 -0.989 0.000 0.977 188 R CA -1.057 54.627 56.100 -0.694 0.000 0.950 188 R CB 1.808 31.914 30.300 -0.325 0.000 1.165 188 R HN 0.774 nan 8.270 nan 0.000 0.474 189 H N -0.199 118.508 119.070 -0.604 0.000 2.980 189 H HA 0.361 4.899 4.556 -0.030 0.000 0.367 189 H C -1.211 173.804 175.328 -0.521 0.000 1.206 189 H CA -0.986 54.721 56.048 -0.568 0.000 1.126 189 H CB 2.459 31.823 29.762 -0.663 0.000 1.838 189 H HN 0.330 nan 8.280 nan 0.000 0.552 190 V N 1.913 121.686 119.914 -0.236 0.000 2.398 190 V HA 0.357 4.459 4.120 -0.030 0.000 0.286 190 V C -0.508 175.417 176.094 -0.282 0.000 1.026 190 V CA -0.284 61.846 62.300 -0.284 0.000 0.868 190 V CB 1.076 32.698 31.823 -0.334 0.000 0.982 190 V HN 0.546 nan 8.190 nan 0.000 0.443 191 K N 3.207 123.277 120.400 -0.548 0.000 2.395 191 K HA 0.705 5.007 4.320 -0.030 0.000 0.247 191 K C -0.775 175.357 176.600 -0.781 0.000 0.973 191 K CA -0.427 55.453 56.287 -0.677 0.000 0.828 191 K CB 2.477 34.446 32.500 -0.885 0.000 1.272 191 K HN 0.845 nan 8.250 nan 0.000 0.439 192 T N -1.257 112.914 114.554 -0.639 0.000 2.900 192 T HA 0.642 4.974 4.350 -0.030 0.000 0.295 192 T C -0.862 173.469 174.700 -0.614 0.000 1.044 192 T CA -0.681 61.090 62.100 -0.549 0.000 0.995 192 T CB 0.951 69.501 68.868 -0.530 0.000 1.072 192 T HN 0.437 nan 8.240 nan 0.000 0.473 193 Y N -0.160 119.957 120.300 -0.304 0.000 2.512 193 Y HA 0.479 5.012 4.550 -0.030 0.000 0.348 193 Y C 0.387 176.160 175.900 -0.211 0.000 0.990 193 Y CA -1.219 56.671 58.100 -0.349 0.000 1.033 193 Y CB 2.243 40.196 38.460 -0.845 0.000 1.259 193 Y HN 0.667 nan 8.280 nan 0.000 0.461 194 E N 1.664 121.932 120.200 0.114 0.000 2.301 194 E HA 0.383 4.715 4.350 -0.030 0.000 0.275 194 E C -1.226 175.537 176.600 0.272 0.000 1.030 194 E CA -0.594 55.887 56.400 0.136 0.000 0.852 194 E CB 1.606 31.366 29.700 0.101 0.000 1.060 194 E HN 0.236 nan 8.360 nan 0.000 0.401 195 V N 2.673 122.756 119.914 0.281 0.000 2.350 195 V HA 0.151 4.253 4.120 -0.030 0.000 0.276 195 V C -0.037 176.185 176.094 0.214 0.000 1.028 195 V CA -0.439 62.061 62.300 0.333 0.000 0.860 195 V CB 1.374 33.444 31.823 0.412 0.000 0.990 195 V HN 0.511 nan 8.190 nan 0.000 0.453 196 S N 4.823 120.623 115.700 0.166 0.000 2.488 196 S HA 0.387 4.839 4.470 -0.030 0.000 0.310 196 S C 0.905 175.560 174.600 0.091 0.000 1.093 196 S CA -0.727 57.535 58.200 0.103 0.000 1.129 196 S CB 0.474 63.713 63.200 0.065 0.000 0.989 196 S HN 0.705 nan 8.310 nan 0.000 0.479 197 L N 3.489 124.781 121.223 0.114 0.000 2.395 197 L HA 0.253 4.575 4.340 -0.030 0.000 0.218 197 L C 2.223 179.084 176.870 -0.015 0.000 1.130 197 L CA 0.335 55.249 54.840 0.124 0.000 0.826 197 L CB -0.244 41.932 42.059 0.194 0.000 0.941 197 L HN 0.365 nan 8.230 nan 0.000 0.451 198 R N 1.463 121.957 120.500 -0.010 0.000 2.091 198 R HA -0.114 4.208 4.340 -0.030 0.000 0.238 198 R C 1.709 177.960 176.300 -0.081 0.000 1.136 198 R CA 1.865 57.941 56.100 -0.040 0.000 0.959 198 R CB -0.487 29.804 30.300 -0.016 0.000 0.856 198 R HN 0.655 nan 8.270 nan 0.000 0.437 199 E N 0.126 120.279 120.200 -0.077 0.000 2.452 199 E HA 0.068 4.400 4.350 -0.030 0.000 0.197 199 E C -0.262 176.229 176.600 -0.182 0.000 1.022 199 E CA -0.216 56.123 56.400 -0.101 0.000 0.890 199 E CB 0.284 29.953 29.700 -0.051 0.000 0.918 199 E HN 0.113 nan 8.360 nan 0.000 0.496 200 K N 1.185 121.428 120.400 -0.261 0.000 3.148 200 K HA -0.221 4.081 4.320 -0.030 0.000 0.267 200 K C -0.474 176.015 176.600 -0.186 0.000 0.996 200 K CA 0.553 56.542 56.287 -0.496 0.000 0.737 200 K CB -1.022 30.900 32.500 -0.962 0.000 1.308 200 K HN 0.089 nan 8.250 nan 0.000 0.470 201 E N -0.813 119.338 120.200 -0.082 0.000 2.423 201 E HA 0.525 4.857 4.350 -0.030 0.000 0.280 201 E C -1.068 175.467 176.600 -0.109 0.000 1.030 201 E CA -0.716 55.608 56.400 -0.126 0.000 0.812 201 E CB 1.067 30.722 29.700 -0.074 0.000 1.313 201 E HN 0.108 nan 8.360 nan 0.000 0.456 202 F N 1.344 121.244 119.950 -0.084 0.000 2.371 202 F HA 0.514 5.023 4.527 -0.030 0.000 0.329 202 F C 0.640 176.404 175.800 -0.059 0.000 1.107 202 F CA -0.513 57.399 58.000 -0.147 0.000 1.137 202 F CB 1.060 39.771 39.000 -0.482 0.000 1.214 202 F HN 0.216 nan 8.300 nan 0.000 0.536 203 N N 0.983 119.832 118.700 0.249 0.000 2.284 203 N HA 0.153 4.875 4.740 -0.030 0.000 0.289 203 N C -1.266 174.357 175.510 0.189 0.000 1.179 203 N CA -0.989 52.162 53.050 0.168 0.000 0.774 203 N CB 2.058 40.614 38.487 0.115 0.000 1.548 203 N HN 0.456 nan 8.380 nan 0.000 0.473 204 K N 0.450 120.934 120.400 0.140 0.000 2.511 204 K HA 0.014 4.316 4.320 -0.030 0.000 0.277 204 K C 0.555 177.181 176.600 0.044 0.000 1.025 204 K CA 0.184 56.531 56.287 0.098 0.000 1.112 204 K CB -0.008 32.527 32.500 0.059 0.000 0.859 204 K HN 0.619 nan 8.250 nan 0.000 0.485 205 G N 4.422 113.203 108.800 -0.033 0.000 2.569 205 G HA2 0.115 4.057 3.960 -0.030 0.000 0.249 205 G HA3 0.115 4.057 3.960 -0.030 0.000 0.249 205 G C -1.415 173.433 174.900 -0.087 0.000 1.216 205 G CA -1.182 43.846 45.100 -0.120 0.000 0.845 205 G HN 0.623 nan 8.290 nan 0.000 0.568 206 P HA 0.005 nan 4.420 nan 0.000 0.225 206 P C -0.324 177.101 177.300 0.208 0.000 1.156 206 P CA 0.773 63.875 63.100 0.004 0.000 0.787 206 P CB 0.312 31.989 31.700 -0.038 0.000 0.802 207 W N 1.355 122.623 121.300 -0.053 0.000 2.570 207 W HA 0.406 5.047 4.660 -0.031 0.000 0.337 207 W C 0.461 176.931 176.519 -0.083 0.000 1.067 207 W CA -1.704 55.606 57.345 -0.058 0.000 1.229 207 W CB 0.323 29.744 29.460 -0.066 0.000 1.355 207 W HN -0.259 nan 8.180 nan 0.000 0.555 208 K N 1.633 122.132 120.400 0.166 0.000 2.401 208 K HA 0.009 4.311 4.320 -0.030 0.000 0.278 208 K C 0.371 176.993 176.600 0.037 0.000 1.018 208 K CA -0.273 56.047 56.287 0.056 0.000 0.981 208 K CB 0.797 33.309 32.500 0.019 0.000 0.933 208 K HN 0.402 nan 8.250 nan 0.000 0.477 209 Q N 2.625 122.412 119.800 -0.022 0.000 2.330 209 Q HA -0.058 4.264 4.340 -0.030 0.000 0.279 209 Q C -0.714 175.263 176.000 -0.039 0.000 1.024 209 Q CA 0.784 56.555 55.803 -0.053 0.000 0.900 209 Q CB 0.606 29.296 28.738 -0.080 0.000 1.221 209 Q HN 0.461 nan 8.270 nan 0.000 0.396 210 E N 2.617 122.792 120.200 -0.041 0.000 2.336 210 E HA 0.325 4.657 4.350 -0.030 0.000 0.267 210 E C -1.158 175.439 176.600 -0.005 0.000 0.906 210 E CA -1.064 55.320 56.400 -0.027 0.000 0.781 210 E CB 1.320 31.028 29.700 0.013 0.000 1.261 210 E HN 0.552 nan 8.360 nan 0.000 0.436 211 N N 0.893 119.599 118.700 0.011 0.000 2.499 211 N HA 0.277 4.999 4.740 -0.030 0.000 0.281 211 N C -0.578 174.907 175.510 -0.042 0.000 1.098 211 N CA -0.217 52.839 53.050 0.011 0.000 0.979 211 N CB 1.375 39.871 38.487 0.015 0.000 1.121 211 N HN 0.284 nan 8.380 nan 0.000 0.466 212 V N -1.306 118.537 119.914 -0.119 0.000 3.155 212 V HA 0.544 4.646 4.120 -0.030 0.000 0.313 212 V C 0.426 176.457 176.094 -0.104 0.000 1.162 212 V CA -1.099 61.154 62.300 -0.079 0.000 1.048 212 V CB 1.529 33.288 31.823 -0.106 0.000 1.092 212 V HN 0.623 nan 8.190 nan 0.000 0.447 213 E N 0.401 120.567 120.200 -0.057 0.000 2.459 213 E HA 0.135 4.467 4.350 -0.030 0.000 0.264 213 E C 1.284 177.827 176.600 -0.094 0.000 1.055 213 E CA 0.505 56.869 56.400 -0.061 0.000 0.957 213 E CB 1.429 31.107 29.700 -0.037 0.000 0.952 213 E HN 1.001 nan 8.360 nan 0.000 0.448 214 A N 4.295 127.065 122.820 -0.084 0.000 2.015 214 A HA -0.122 4.180 4.320 -0.030 0.000 0.219 214 A C 1.172 178.713 177.584 -0.073 0.000 1.163 214 A CA 1.160 53.143 52.037 -0.090 0.000 0.646 214 A CB 0.056 19.015 19.000 -0.069 0.000 0.806 214 A HN 0.593 nan 8.150 nan 0.000 0.448 215 E N -0.303 119.863 120.200 -0.057 0.000 2.736 215 E HA 0.357 4.689 4.350 -0.030 0.000 0.208 215 E C -0.176 176.401 176.600 -0.038 0.000 0.996 215 E CA 0.054 56.428 56.400 -0.042 0.000 1.104 215 E CB 0.241 29.922 29.700 -0.033 0.000 1.111 215 E HN 0.464 nan 8.360 nan 0.000 0.455 216 A N 1.380 124.170 122.820 -0.050 0.000 2.491 216 A HA 0.193 4.495 4.320 -0.030 0.000 0.261 216 A C 1.246 178.816 177.584 -0.023 0.000 1.101 216 A CA 0.369 52.381 52.037 -0.042 0.000 0.772 216 A CB 0.128 19.090 19.000 -0.063 0.000 1.043 216 A HN 0.185 nan 8.150 nan 0.000 0.501 217 S N 1.815 117.513 115.700 -0.003 0.000 2.589 217 S HA 0.413 4.865 4.470 -0.030 0.000 0.235 217 S C 0.249 174.877 174.600 0.047 0.000 1.051 217 S CA -0.094 58.119 58.200 0.022 0.000 0.978 217 S CB -0.041 63.173 63.200 0.024 0.000 0.929 217 S HN 0.597 nan 8.310 nan 0.000 0.523 218 M N 1.961 121.584 119.600 0.039 0.000 2.386 218 M HA 0.548 5.010 4.480 -0.030 0.000 0.293 218 M C -1.818 174.491 176.300 0.015 0.000 1.120 218 M CA -0.436 54.905 55.300 0.068 0.000 0.909 218 M CB 2.840 35.514 32.600 0.123 0.000 1.661 218 M HN -0.043 nan 8.290 nan 0.000 0.452 219 V N 4.418 124.352 119.914 0.033 0.000 2.459 219 V HA 0.568 4.670 4.120 -0.030 0.000 0.295 219 V C -0.553 175.508 176.094 -0.054 0.000 1.029 219 V CA -0.551 61.745 62.300 -0.005 0.000 0.874 219 V CB 1.806 33.650 31.823 0.036 0.000 0.985 219 V HN 0.695 nan 8.190 nan 0.000 0.438 220 I N 3.769 124.258 120.570 -0.134 0.000 2.382 220 I HA 0.576 4.728 4.170 -0.030 0.000 0.286 220 I C 0.450 176.577 176.117 0.017 0.000 1.002 220 I CA -0.607 60.583 61.300 -0.183 0.000 1.135 220 I CB 1.828 39.522 38.000 -0.510 0.000 1.288 220 I HN 0.672 nan 8.210 nan 0.000 0.448 221 A N 7.174 130.092 122.820 0.162 0.000 2.376 221 A HA 0.468 4.770 4.320 -0.030 0.000 0.298 221 A C -0.023 177.802 177.584 0.402 0.000 1.271 221 A CA -0.339 51.884 52.037 0.310 0.000 0.926 221 A CB -0.143 19.073 19.000 0.360 0.000 1.141 221 A HN 0.495 nan 8.150 nan 0.000 0.539 222 V N 6.385 126.511 119.914 0.352 0.000 2.521 222 V HA 0.176 4.278 4.120 -0.030 0.000 0.286 222 V C -1.554 174.690 176.094 0.250 0.000 1.034 222 V CA -1.043 61.463 62.300 0.344 0.000 1.045 222 V CB 0.539 32.606 31.823 0.406 0.000 0.974 222 V HN 0.816 nan 8.190 nan 0.000 0.480 223 P HA 0.166 nan 4.420 nan 0.000 0.275 223 P C -0.242 177.036 177.300 -0.038 0.000 1.266 223 P CA -0.553 62.286 63.100 -0.436 0.000 0.793 223 P CB 0.614 31.952 31.700 -0.604 0.000 1.074 224 E N 0.382 120.559 120.200 -0.039 0.000 2.392 224 E HA 0.131 4.463 4.350 -0.030 0.000 0.259 224 E C -1.809 174.736 176.600 -0.092 0.000 1.108 224 E CA -1.633 54.766 56.400 -0.001 0.000 0.916 224 E CB -0.677 29.039 29.700 0.027 0.000 0.989 224 E HN 0.262 nan 8.360 nan 0.000 0.432 225 P HA -0.092 nan 4.420 nan 0.000 0.218 225 P C 0.630 177.772 177.300 -0.265 0.000 1.149 225 P CA 1.196 64.085 63.100 -0.352 0.000 0.817 225 P CB -0.002 31.300 31.700 -0.663 0.000 0.785 226 F N -0.619 119.375 119.950 0.074 0.000 2.234 226 F HA 0.196 4.694 4.527 -0.048 0.000 0.296 226 F C 1.907 177.838 175.800 0.219 0.000 1.089 226 F CA 0.822 58.890 58.000 0.113 0.000 1.343 226 F CB -1.182 37.850 39.000 0.053 0.000 1.040 226 F HN -0.002 nan 8.300 nan 0.000 0.498 227 G N 0.202 109.238 108.800 0.394 0.000 2.633 227 G HA2 0.174 4.116 3.960 -0.030 0.000 0.263 227 G HA3 0.174 4.116 3.960 -0.030 0.000 0.263 227 G C 0.414 175.605 174.900 0.485 0.000 1.310 227 G CA -0.213 45.130 45.100 0.404 0.000 0.914 227 G HN 1.324 nan 8.290 nan 0.000 0.569 228 G N -2.041 107.047 108.800 0.480 0.000 2.681 228 G HA2 0.476 4.418 3.960 -0.030 0.000 0.220 228 G HA3 0.476 4.418 3.960 -0.030 0.000 0.220 228 G C 0.112 175.222 174.900 0.350 0.000 1.353 228 G CA 1.047 46.395 45.100 0.414 0.000 0.872 228 G HN 2.856 nan 8.290 nan 0.000 0.557 229 A N -0.881 122.016 122.820 0.128 0.000 2.393 229 A HA 0.812 5.114 4.320 -0.030 0.000 0.306 229 A C -0.250 177.333 177.584 -0.002 0.000 1.050 229 A CA -0.456 51.659 52.037 0.130 0.000 0.724 229 A CB 1.208 20.348 19.000 0.233 0.000 1.248 229 A HN 1.207 nan 8.150 nan 0.000 0.424 230 I N 2.072 122.656 120.570 0.023 0.000 2.385 230 I HA 0.395 4.547 4.170 -0.030 0.000 0.294 230 I C -0.710 175.378 176.117 -0.050 0.000 0.988 230 I CA -0.293 61.000 61.300 -0.011 0.000 1.265 230 I CB 1.497 39.426 38.000 -0.118 0.000 1.388 230 I HN 0.491 nan 8.210 nan 0.000 0.480 231 I N 7.198 127.760 120.570 -0.013 0.000 2.418 231 I HA 0.385 4.537 4.170 -0.030 0.000 0.287 231 I C -0.520 175.574 176.117 -0.039 0.000 1.008 231 I CA -0.309 60.973 61.300 -0.030 0.000 1.104 231 I CB 1.591 39.576 38.000 -0.026 0.000 1.264 231 I HN 0.356 nan 8.210 nan 0.000 0.438 232 I N 5.593 126.132 120.570 -0.051 0.000 2.321 232 I HA 0.529 4.682 4.170 -0.030 0.000 0.291 232 I C 0.757 176.853 176.117 -0.035 0.000 0.998 232 I CA -0.009 61.261 61.300 -0.050 0.000 1.227 232 I CB 1.412 39.384 38.000 -0.046 0.000 1.368 232 I HN 0.658 nan 8.210 nan 0.000 0.466 233 G N 3.377 112.151 108.800 -0.043 0.000 3.107 233 G HA2 0.259 4.201 3.960 -0.030 0.000 0.232 233 G HA3 0.259 4.201 3.960 -0.030 0.000 0.232 233 G C 0.060 174.932 174.900 -0.047 0.000 1.339 233 G CA -0.210 44.867 45.100 -0.039 0.000 1.033 233 G HN 0.550 nan 8.290 nan 0.000 0.567 234 Q N -1.382 118.392 119.800 -0.044 0.000 2.204 234 Q HA 0.052 4.374 4.340 -0.030 0.000 0.198 234 Q C 2.001 177.968 176.000 -0.055 0.000 0.946 234 Q CA 0.866 56.641 55.803 -0.046 0.000 0.859 234 Q CB 0.199 28.916 28.738 -0.036 0.000 0.946 234 Q HN 0.561 nan 8.270 nan 0.000 0.474 235 E N -0.163 120.007 120.200 -0.049 0.000 2.216 235 E HA 0.048 4.380 4.350 -0.030 0.000 0.192 235 E C 0.401 176.966 176.600 -0.058 0.000 0.973 235 E CA 0.561 56.931 56.400 -0.049 0.000 0.851 235 E CB 0.855 30.534 29.700 -0.036 0.000 0.804 235 E HN 0.206 nan 8.360 nan 0.000 0.477 236 S N -0.012 115.654 115.700 -0.058 0.000 2.627 236 S HA 0.699 5.151 4.470 -0.030 0.000 0.283 236 S C -0.463 174.095 174.600 -0.070 0.000 1.127 236 S CA -0.889 57.275 58.200 -0.060 0.000 0.863 236 S CB 1.782 64.961 63.200 -0.035 0.000 1.121 236 S HN 0.031 nan 8.310 nan 0.000 0.479 237 I N 1.885 122.407 120.570 -0.081 0.000 2.468 237 I HA 0.443 4.595 4.170 -0.030 0.000 0.285 237 I C -0.351 175.712 176.117 -0.090 0.000 1.039 237 I CA -0.342 60.908 61.300 -0.084 0.000 1.074 237 I CB 2.265 40.202 38.000 -0.105 0.000 1.228 237 I HN 0.921 nan 8.210 nan 0.000 0.436 238 T N 1.820 116.340 114.554 -0.056 0.000 2.912 238 T HA 0.567 4.899 4.350 -0.030 0.000 0.288 238 T C -1.003 173.683 174.700 -0.024 0.000 1.030 238 T CA -0.817 61.223 62.100 -0.100 0.000 1.020 238 T CB 2.090 70.960 68.868 0.003 0.000 1.056 238 T HN 0.358 nan 8.240 nan 0.000 0.480 239 Y N 1.321 121.429 120.300 -0.320 0.000 2.393 239 Y HA 0.527 5.064 4.550 -0.021 0.000 0.341 239 Y C -0.564 175.126 175.900 -0.351 0.000 0.988 239 Y CA -0.839 57.124 58.100 -0.228 0.000 1.078 239 Y CB 1.365 39.677 38.460 -0.247 0.000 1.203 239 Y HN 0.790 nan 8.280 nan 0.000 0.453 240 H N 5.479 123.998 119.070 -0.917 0.000 2.667 240 H HA 0.311 4.849 4.556 -0.030 0.000 0.353 240 H C -1.220 173.301 175.328 -1.345 0.000 1.072 240 H CA -0.891 54.674 56.048 -0.805 0.000 1.214 240 H CB 1.988 31.484 29.762 -0.444 0.000 1.600 240 H HN 0.787 nan 8.280 nan 0.000 0.527 241 N N 2.364 120.400 118.700 -1.106 0.000 2.969 241 N HA 0.168 4.890 4.740 -0.030 0.000 0.230 241 N C 0.750 175.728 175.510 -0.886 0.000 1.397 241 N CA 0.427 52.791 53.050 -1.144 0.000 0.762 241 N CB 0.640 38.902 38.487 -0.374 0.000 1.495 241 N HN 0.951 nan 8.380 nan 0.000 0.583 242 G N 2.489 110.431 108.800 -1.429 0.000 2.774 242 G HA2 -0.433 3.509 3.960 -0.030 0.000 0.342 242 G HA3 -0.433 3.509 3.960 -0.030 0.000 0.342 242 G C 0.567 175.287 174.900 -0.299 0.000 1.185 242 G CA 1.153 45.892 45.100 -0.602 0.000 0.956 242 G HN 0.599 nan 8.290 nan 0.000 0.561 243 D N 1.149 121.450 120.400 -0.165 0.000 2.271 243 D HA 0.085 4.708 4.640 -0.030 0.000 0.206 243 D C 1.346 177.605 176.300 -0.068 0.000 0.967 243 D CA 0.804 54.751 54.000 -0.089 0.000 0.867 243 D CB 0.113 40.890 40.800 -0.038 0.000 0.960 243 D HN 0.259 nan 8.370 nan 0.000 0.509 244 K N 0.574 120.929 120.400 -0.074 0.000 2.298 244 K HA 0.091 4.393 4.320 -0.030 0.000 0.280 244 K C -1.257 175.339 176.600 -0.006 0.000 1.032 244 K CA -0.207 56.079 56.287 -0.001 0.000 0.958 244 K CB 0.130 32.684 32.500 0.091 0.000 0.978 244 K HN -0.105 nan 8.250 nan 0.000 0.472 245 Y N 4.268 124.494 120.300 -0.123 0.000 2.401 245 Y HA 0.456 4.990 4.550 -0.026 0.000 0.330 245 Y C -1.996 173.830 175.900 -0.124 0.000 1.071 245 Y CA -0.862 57.108 58.100 -0.216 0.000 1.049 245 Y CB 1.089 39.384 38.460 -0.275 0.000 1.239 245 Y HN 0.491 nan 8.280 nan 0.000 0.437 246 L N 5.730 126.534 121.223 -0.698 0.000 2.408 246 L HA 0.979 5.301 4.340 -0.030 0.000 0.268 246 L C -0.903 175.521 176.870 -0.744 0.000 0.986 246 L CA -1.047 53.455 54.840 -0.564 0.000 0.820 246 L CB 2.179 44.068 42.059 -0.284 0.000 1.303 246 L HN 0.795 nan 8.230 nan 0.000 0.411 247 A N 4.198 126.700 122.820 -0.530 0.000 2.422 247 A HA 0.926 5.228 4.320 -0.030 0.000 0.302 247 A C -1.018 176.456 177.584 -0.184 0.000 1.041 247 A CA -0.465 51.360 52.037 -0.353 0.000 0.708 247 A CB 1.568 20.410 19.000 -0.265 0.000 1.257 247 A HN 0.695 nan 8.150 nan 0.000 0.414 248 I N -1.343 119.143 120.570 -0.140 0.000 2.769 248 I HA 0.874 5.026 4.170 -0.030 0.000 0.298 248 I C -0.206 175.861 176.117 -0.082 0.000 1.128 248 I CA -1.041 60.199 61.300 -0.101 0.000 1.031 248 I CB 2.620 40.559 38.000 -0.101 0.000 1.235 248 I HN 0.685 nan 8.210 nan 0.000 0.423 249 A N 4.754 127.534 122.820 -0.066 0.000 3.030 249 A HA 0.721 5.023 4.320 -0.030 0.000 0.335 249 A C -2.639 174.912 177.584 -0.056 0.000 1.089 249 A CA -1.259 50.742 52.037 -0.060 0.000 0.807 249 A CB -0.448 18.526 19.000 -0.043 0.000 1.099 249 A HN 0.601 nan 8.150 nan 0.000 0.474 250 P HA 0.199 nan 4.420 nan 0.000 0.267 250 P C -1.801 175.468 177.300 -0.051 0.000 1.205 250 P CA -0.991 62.076 63.100 -0.056 0.000 0.765 250 P CB 0.808 32.464 31.700 -0.073 0.000 0.828 251 P HA -0.105 nan 4.420 nan 0.000 0.221 251 P C 1.469 178.763 177.300 -0.010 0.000 1.150 251 P CA 0.778 63.867 63.100 -0.018 0.000 0.800 251 P CB 0.140 31.836 31.700 -0.007 0.000 0.787 252 I N -0.805 119.769 120.570 0.006 0.000 2.335 252 I HA -0.243 3.909 4.170 -0.030 0.000 0.251 252 I C 2.004 178.131 176.117 0.015 0.000 1.129 252 I CA 1.236 62.566 61.300 0.050 0.000 1.402 252 I CB -0.211 37.869 38.000 0.133 0.000 1.069 252 I HN -0.226 nan 8.210 nan 0.000 0.424 253 I N 1.121 121.631 120.570 -0.100 0.000 2.394 253 I HA -0.275 3.877 4.170 -0.030 0.000 0.251 253 I C 2.313 178.376 176.117 -0.090 0.000 1.136 253 I CA 1.353 62.540 61.300 -0.189 0.000 1.425 253 I CB -0.532 37.305 38.000 -0.272 0.000 1.079 253 I HN 0.170 nan 8.210 nan 0.000 0.425 254 K N 0.676 121.042 120.400 -0.056 0.000 2.160 254 K HA -0.236 4.066 4.320 -0.030 0.000 0.206 254 K C 1.962 178.550 176.600 -0.021 0.000 1.047 254 K CA 1.647 57.912 56.287 -0.036 0.000 0.930 254 K CB -0.152 32.332 32.500 -0.026 0.000 0.720 254 K HN 0.418 nan 8.250 nan 0.000 0.450 255 Q N -0.730 119.068 119.800 -0.004 0.000 2.224 255 Q HA 0.009 4.331 4.340 -0.030 0.000 0.203 255 Q C 0.172 176.172 176.000 0.001 0.000 0.970 255 Q CA 0.771 56.578 55.803 0.006 0.000 0.865 255 Q CB 0.251 29.005 28.738 0.027 0.000 0.922 255 Q HN 0.164 nan 8.270 nan 0.000 0.445 256 S N -0.703 115.002 115.700 0.007 0.000 2.533 256 S HA 0.248 4.700 4.470 -0.030 0.000 0.271 256 S C -1.012 173.586 174.600 -0.003 0.000 1.143 256 S CA -0.754 57.447 58.200 0.001 0.000 0.891 256 S CB 1.878 65.096 63.200 0.030 0.000 1.105 256 S HN -0.006 nan 8.310 nan 0.000 0.468 257 T N 4.518 119.062 114.554 -0.017 0.000 2.779 257 T HA 0.331 4.664 4.350 -0.030 0.000 0.296 257 T C 0.374 175.079 174.700 0.008 0.000 0.938 257 T CA 0.029 62.120 62.100 -0.014 0.000 1.119 257 T CB -0.270 68.587 68.868 -0.018 0.000 0.891 257 T HN 0.506 nan 8.240 nan 0.000 0.526 258 I N 3.658 124.229 120.570 0.002 0.000 2.533 258 I HA 0.045 4.197 4.170 -0.030 0.000 0.284 258 I C 1.052 177.196 176.117 0.045 0.000 1.109 258 I CA 0.062 61.380 61.300 0.031 0.000 1.412 258 I CB 0.921 38.918 38.000 -0.005 0.000 1.396 258 I HN 0.461 nan 8.210 nan 0.000 0.543 259 V N 5.590 125.542 119.914 0.064 0.000 3.484 259 V HA 0.051 4.153 4.120 -0.030 0.000 0.252 259 V C 0.212 176.341 176.094 0.058 0.000 1.282 259 V CA 0.408 62.741 62.300 0.055 0.000 1.104 259 V CB 0.871 32.721 31.823 0.045 0.000 0.868 259 V HN 0.991 nan 8.190 nan 0.000 0.457 260 C N -0.269 119.074 119.300 0.072 0.000 3.291 260 C HA 0.921 5.363 4.460 -0.030 0.000 0.316 260 C C -0.753 174.303 174.990 0.110 0.000 1.391 260 C CA -0.675 58.362 59.018 0.032 0.000 1.394 260 C CB 1.267 29.007 27.740 -0.001 0.000 1.744 260 C HN 0.691 nan 8.230 nan 0.000 0.461 261 H N -0.186 118.946 119.070 0.102 0.000 3.046 261 H HA 0.793 5.331 4.556 -0.031 0.000 0.361 261 H C -1.488 173.945 175.328 0.175 0.000 1.235 261 H CA -0.538 55.590 56.048 0.133 0.000 1.146 261 H CB 1.152 30.971 29.762 0.096 0.000 1.859 261 H HN 0.998 nan 8.280 nan 0.000 0.548 262 N N 1.085 120.025 118.700 0.400 0.000 2.331 262 N HA 0.230 4.952 4.740 -0.030 0.000 0.280 262 N C -1.358 174.385 175.510 0.389 0.000 1.155 262 N CA -0.806 52.460 53.050 0.360 0.000 0.822 262 N CB 2.982 41.603 38.487 0.224 0.000 1.619 262 N HN 0.770 nan 8.380 nan 0.000 0.476 263 R N 2.342 123.018 120.500 0.293 0.000 2.340 263 R HA 0.298 4.620 4.340 -0.030 0.000 0.300 263 R C 0.450 176.686 176.300 -0.107 0.000 1.069 263 R CA -0.282 55.779 56.100 -0.063 0.000 0.984 263 R CB 0.932 31.229 30.300 -0.005 0.000 1.003 263 R HN 0.369 nan 8.270 nan 0.000 0.459 264 V N 2.598 122.333 119.914 -0.299 0.000 2.326 264 V HA -0.013 4.089 4.120 -0.030 0.000 0.238 264 V C 0.261 176.180 176.094 -0.291 0.000 1.038 264 V CA 1.178 63.265 62.300 -0.355 0.000 1.032 264 V CB -0.095 31.419 31.823 -0.515 0.000 0.675 264 V HN 0.764 nan 8.190 nan 0.000 0.467 265 D N 0.282 120.508 120.400 -0.290 0.000 2.177 265 D HA 0.270 4.892 4.640 -0.030 0.000 0.247 265 D C -1.889 174.329 176.300 -0.137 0.000 1.063 265 D CA -1.757 52.136 54.000 -0.179 0.000 0.867 265 D CB 1.552 42.253 40.800 -0.165 0.000 1.168 265 D HN 0.046 nan 8.370 nan 0.000 0.445 266 P HA -0.149 nan 4.420 nan 0.000 0.220 266 P C 0.816 178.074 177.300 -0.069 0.000 1.144 266 P CA 1.033 64.106 63.100 -0.044 0.000 0.800 266 P CB 0.186 31.883 31.700 -0.005 0.000 0.772 267 N N -1.144 117.519 118.700 -0.061 0.000 2.398 267 N HA 0.063 4.785 4.740 -0.030 0.000 0.188 267 N C 1.122 176.637 175.510 0.008 0.000 1.122 267 N CA 0.712 53.743 53.050 -0.032 0.000 0.866 267 N CB -1.209 37.273 38.487 -0.010 0.000 0.970 267 N HN 0.113 nan 8.380 nan 0.000 0.462 268 G N -0.449 108.305 108.800 -0.077 0.000 2.221 268 G HA2 -0.316 3.626 3.960 -0.030 0.000 0.265 268 G HA3 -0.316 3.626 3.960 -0.030 0.000 0.265 268 G C 0.772 175.650 174.900 -0.037 0.000 1.041 268 G CA 0.555 45.600 45.100 -0.092 0.000 0.807 268 G HN 0.376 nan 8.290 nan 0.000 0.502 269 S N -0.737 114.912 115.700 -0.084 0.000 2.387 269 S HA 0.122 4.574 4.470 -0.030 0.000 0.226 269 S C 1.331 175.870 174.600 -0.102 0.000 1.026 269 S CA 1.054 59.221 58.200 -0.055 0.000 0.972 269 S CB 0.177 63.350 63.200 -0.046 0.000 0.814 269 S HN 0.689 nan 8.310 nan 0.000 0.477 270 R N -0.562 119.798 120.500 -0.234 0.000 2.686 270 R HA 0.581 4.903 4.340 -0.030 0.000 0.283 270 R C -1.860 174.206 176.300 -0.391 0.000 0.978 270 R CA -0.485 55.494 56.100 -0.202 0.000 0.897 270 R CB 1.616 31.806 30.300 -0.184 0.000 1.192 270 R HN 0.171 nan 8.270 nan 0.000 0.457 271 Y N 1.248 121.537 120.300 -0.019 0.000 2.512 271 Y HA 0.448 4.985 4.550 -0.022 0.000 0.348 271 Y C -0.327 175.603 175.900 0.050 0.000 0.990 271 Y CA -0.892 57.224 58.100 0.026 0.000 1.033 271 Y CB 1.916 40.399 38.460 0.038 0.000 1.259 271 Y HN 0.229 nan 8.280 nan 0.000 0.461 272 L N 4.139 125.512 121.223 0.250 0.000 2.309 272 L HA 0.590 4.912 4.340 -0.030 0.000 0.282 272 L C -1.016 176.004 176.870 0.250 0.000 1.036 272 L CA -0.527 54.439 54.840 0.211 0.000 0.806 272 L CB 1.027 43.190 42.059 0.173 0.000 1.220 272 L HN 0.407 nan 8.230 nan 0.000 0.429 273 L N 2.355 123.726 121.223 0.247 0.000 2.386 273 L HA 0.787 5.109 4.340 -0.030 0.000 0.271 273 L C 0.091 177.124 176.870 0.272 0.000 0.993 273 L CA -0.620 54.369 54.840 0.249 0.000 0.819 273 L CB 1.994 44.179 42.059 0.210 0.000 1.294 273 L HN 0.626 nan 8.230 nan 0.000 0.414 274 G N 0.478 109.402 108.800 0.207 0.000 2.495 274 G HA2 0.613 4.555 3.960 -0.030 0.000 0.318 274 G HA3 0.613 4.555 3.960 -0.030 0.000 0.318 274 G C -1.570 173.427 174.900 0.161 0.000 1.257 274 G CA -0.263 44.941 45.100 0.173 0.000 0.962 274 G HN 0.635 nan 8.290 nan 0.000 0.483 275 D N 1.002 121.504 120.400 0.170 0.000 2.621 275 D HA 0.318 4.940 4.640 -0.030 0.000 0.255 275 D C 1.348 177.688 176.300 0.067 0.000 1.122 275 D CA -1.015 53.061 54.000 0.126 0.000 1.096 275 D CB 0.780 41.690 40.800 0.183 0.000 1.282 275 D HN 0.120 nan 8.370 nan 0.000 0.619 276 M N -0.448 119.167 119.600 0.024 0.000 2.460 276 M HA 0.001 4.463 4.480 -0.030 0.000 0.263 276 M C 0.715 176.988 176.300 -0.045 0.000 1.071 276 M CA 1.040 56.323 55.300 -0.028 0.000 1.096 276 M CB -0.692 31.847 32.600 -0.102 0.000 1.408 276 M HN 0.470 nan 8.290 nan 0.000 0.463 277 E N -0.611 119.581 120.200 -0.013 0.000 2.463 277 E HA 0.241 4.573 4.350 -0.030 0.000 0.193 277 E C 1.151 177.761 176.600 0.017 0.000 1.041 277 E CA 0.320 56.716 56.400 -0.006 0.000 0.879 277 E CB 0.052 29.748 29.700 -0.006 0.000 0.997 277 E HN 0.562 nan 8.360 nan 0.000 0.478 278 G N 2.229 111.046 108.800 0.027 0.000 2.148 278 G HA2 -0.353 3.589 3.960 -0.030 0.000 0.254 278 G HA3 -0.353 3.589 3.960 -0.030 0.000 0.254 278 G C 0.357 175.250 174.900 -0.011 0.000 0.981 278 G CA 0.285 45.396 45.100 0.018 0.000 0.670 278 G HN 0.207 nan 8.290 nan 0.000 0.528 279 R N -0.722 119.770 120.500 -0.014 0.000 2.491 279 R HA 0.522 4.844 4.340 -0.030 0.000 0.283 279 R C 0.111 176.311 176.300 -0.167 0.000 1.072 279 R CA -0.362 55.652 56.100 -0.142 0.000 1.048 279 R CB 0.566 30.761 30.300 -0.174 0.000 0.983 279 R HN 0.238 nan 8.270 nan 0.000 0.450 280 L N 4.762 125.811 121.223 -0.290 0.000 2.305 280 L HA 0.476 4.798 4.340 -0.030 0.000 0.284 280 L C -1.468 175.210 176.870 -0.320 0.000 1.013 280 L CA 0.019 54.764 54.840 -0.159 0.000 0.819 280 L CB 0.738 42.764 42.059 -0.055 0.000 1.227 280 L HN 0.426 nan 8.230 nan 0.000 0.417 281 F N 4.608 124.588 119.950 0.050 0.000 2.492 281 F HA 0.605 5.111 4.527 -0.035 0.000 0.327 281 F C 0.080 175.907 175.800 0.044 0.000 1.079 281 F CA -0.703 57.323 58.000 0.043 0.000 0.967 281 F CB 1.926 40.948 39.000 0.036 0.000 1.169 281 F HN 0.378 nan 8.300 nan 0.000 0.472 282 M N 3.850 123.576 119.600 0.210 0.000 2.180 282 M HA 0.499 4.961 4.480 -0.030 0.000 0.350 282 M C -1.724 174.652 176.300 0.126 0.000 1.125 282 M CA -0.718 54.656 55.300 0.122 0.000 1.031 282 M CB 1.091 33.707 32.600 0.027 0.000 1.623 282 M HN 0.503 nan 8.290 nan 0.000 0.451 283 L N 6.773 128.074 121.223 0.129 0.000 2.272 283 L HA 0.669 4.992 4.340 -0.030 0.000 0.289 283 L C -1.933 174.988 176.870 0.085 0.000 1.032 283 L CA -0.146 54.752 54.840 0.098 0.000 0.810 283 L CB 0.786 42.908 42.059 0.105 0.000 1.205 283 L HN 0.750 nan 8.230 nan 0.000 0.422 284 L N 5.842 127.077 121.223 0.020 0.000 2.329 284 L HA 0.517 4.839 4.340 -0.030 0.000 0.279 284 L C -0.865 175.970 176.870 -0.059 0.000 1.014 284 L CA -0.425 54.404 54.840 -0.018 0.000 0.814 284 L CB 1.674 43.707 42.059 -0.044 0.000 1.257 284 L HN 0.442 nan 8.230 nan 0.000 0.424 285 L N 2.942 124.112 121.223 -0.087 0.000 2.277 285 L HA 0.364 4.686 4.340 -0.030 0.000 0.284 285 L C 0.009 176.733 176.870 -0.243 0.000 1.028 285 L CA -0.041 54.677 54.840 -0.203 0.000 0.835 285 L CB 0.941 42.852 42.059 -0.246 0.000 1.215 285 L HN 0.512 nan 8.230 nan 0.000 0.425 286 E N 3.592 123.650 120.200 -0.236 0.000 2.223 286 E HA 0.213 4.545 4.350 -0.030 0.000 0.282 286 E C -0.528 175.938 176.600 -0.223 0.000 1.046 286 E CA -0.341 55.949 56.400 -0.184 0.000 0.857 286 E CB 0.894 30.511 29.700 -0.137 0.000 1.055 286 E HN 0.368 nan 8.360 nan 0.000 0.409 287 K N 2.615 122.932 120.400 -0.139 0.000 2.144 287 K HA 0.275 4.577 4.320 -0.030 0.000 0.270 287 K C -0.126 176.458 176.600 -0.027 0.000 1.005 287 K CA -0.358 55.892 56.287 -0.063 0.000 0.932 287 K CB 1.126 33.679 32.500 0.087 0.000 1.021 287 K HN 0.428 nan 8.250 nan 0.000 0.462 288 E N 2.996 123.200 120.200 0.006 0.000 2.317 288 E HA 0.031 4.363 4.350 -0.030 0.000 0.270 288 E C -1.203 175.418 176.600 0.035 0.000 0.899 288 E CA -0.396 56.008 56.400 0.006 0.000 0.814 288 E CB 1.205 30.892 29.700 -0.022 0.000 1.296 288 E HN 0.689 nan 8.360 nan 0.000 0.404 289 E N 3.281 123.501 120.200 0.033 0.000 2.392 289 E HA 0.187 4.519 4.350 -0.030 0.000 0.256 289 E C -0.159 176.454 176.600 0.021 0.000 1.145 289 E CA -0.484 55.936 56.400 0.033 0.000 0.929 289 E CB 1.037 30.751 29.700 0.023 0.000 0.998 289 E HN 0.288 nan 8.360 nan 0.000 0.442 296 T N 4.052 118.706 114.554 0.166 0.000 2.942 296 T HA 0.769 5.101 4.350 -0.030 0.000 0.289 296 T C -0.600 174.102 174.700 0.003 0.000 1.044 296 T CA -0.752 61.430 62.100 0.137 0.000 1.023 296 T CB 1.865 70.756 68.868 0.038 0.000 1.123 296 T HN 0.856 nan 8.240 nan 0.000 0.512 297 L N 2.279 123.382 121.223 -0.201 0.000 2.295 297 L HA 0.398 4.720 4.340 -0.030 0.000 0.288 297 L C 1.490 178.175 176.870 -0.308 0.000 1.079 297 L CA -0.023 54.517 54.840 -0.499 0.000 0.830 297 L CB 0.322 41.905 42.059 -0.792 0.000 1.200 297 L HN 0.867 nan 8.230 nan 0.000 0.438 298 K N 1.946 122.201 120.400 -0.241 0.000 1.991 298 K HA -0.014 4.288 4.320 -0.030 0.000 0.207 298 K C 0.199 176.693 176.600 -0.177 0.000 1.045 298 K CA 1.070 57.259 56.287 -0.163 0.000 0.937 298 K CB 0.291 32.721 32.500 -0.117 0.000 0.720 298 K HN 0.672 nan 8.250 nan 0.000 0.438 299 D N -1.741 118.538 120.400 -0.201 0.000 2.677 299 D HA 0.333 4.955 4.640 -0.030 0.000 0.298 299 D C -1.720 174.460 176.300 -0.200 0.000 1.250 299 D CA -0.561 53.330 54.000 -0.183 0.000 0.888 299 D CB 1.293 42.016 40.800 -0.129 0.000 1.397 299 D HN -0.003 nan 8.370 nan 0.000 0.461 300 L N 1.390 122.512 121.223 -0.168 0.000 2.322 300 L HA 0.606 4.928 4.340 -0.030 0.000 0.281 300 L C 0.131 176.940 176.870 -0.101 0.000 1.014 300 L CA -0.724 54.029 54.840 -0.145 0.000 0.815 300 L CB 1.962 43.934 42.059 -0.145 0.000 1.247 300 L HN 0.171 nan 8.230 nan 0.000 0.421 301 R N 2.040 122.492 120.500 -0.079 0.000 2.637 301 R HA 0.786 5.109 4.340 -0.030 0.000 0.291 301 R C -1.604 174.683 176.300 -0.023 0.000 0.963 301 R CA -0.564 55.507 56.100 -0.050 0.000 0.901 301 R CB 2.203 32.476 30.300 -0.045 0.000 1.160 301 R HN 0.412 nan 8.270 nan 0.000 0.457 302 V N 3.933 123.844 119.914 -0.005 0.000 2.531 302 V HA 0.416 4.518 4.120 -0.030 0.000 0.301 302 V C -0.789 175.366 176.094 0.103 0.000 1.034 302 V CA -0.743 61.581 62.300 0.040 0.000 0.865 302 V CB 1.867 33.677 31.823 -0.021 0.000 0.995 302 V HN 0.759 nan 8.190 nan 0.000 0.424 303 E N 3.600 123.894 120.200 0.158 0.000 2.238 303 E HA 0.449 4.781 4.350 -0.030 0.000 0.267 303 E C -0.955 175.775 176.600 0.217 0.000 0.887 303 E CA -0.744 55.748 56.400 0.153 0.000 0.769 303 E CB 3.168 32.899 29.700 0.052 0.000 1.187 303 E HN 0.497 nan 8.360 nan 0.000 0.416 304 L N 3.891 125.202 121.223 0.147 0.000 2.319 304 L HA 0.184 4.507 4.340 -0.030 0.000 0.280 304 L C 0.749 177.619 176.870 0.001 0.000 1.099 304 L CA 0.024 54.814 54.840 -0.082 0.000 0.828 304 L CB 0.402 42.410 42.059 -0.085 0.000 1.150 304 L HN 0.554 nan 8.230 nan 0.000 0.442 305 L N 4.649 125.832 121.223 -0.066 0.000 2.470 305 L HA 0.386 4.708 4.340 -0.030 0.000 0.219 305 L C 0.964 177.880 176.870 0.077 0.000 1.071 305 L CA 0.536 55.440 54.840 0.107 0.000 0.850 305 L CB 0.088 42.172 42.059 0.042 0.000 1.040 305 L HN 0.860 nan 8.230 nan 0.000 0.475 306 G N -0.108 108.645 108.800 -0.079 0.000 2.334 306 G HA2 -0.006 3.936 3.960 -0.030 0.000 0.249 306 G HA3 -0.006 3.936 3.960 -0.030 0.000 0.249 306 G C -1.734 173.096 174.900 -0.116 0.000 1.327 306 G CA -0.664 44.387 45.100 -0.081 0.000 0.979 306 G HN -0.050 nan 8.290 nan 0.000 0.471 307 E N -0.155 120.001 120.200 -0.073 0.000 2.248 307 E HA 0.683 5.015 4.350 -0.030 0.000 0.267 307 E C -0.086 176.491 176.600 -0.038 0.000 0.877 307 E CA -0.163 56.200 56.400 -0.062 0.000 0.759 307 E CB 1.952 31.624 29.700 -0.048 0.000 1.182 307 E HN 0.889 nan 8.360 nan 0.000 0.418 308 T N -0.269 114.266 114.554 -0.031 0.000 2.831 308 T HA 0.469 4.801 4.350 -0.030 0.000 0.287 308 T C -0.070 174.620 174.700 -0.017 0.000 1.070 308 T CA -0.862 61.221 62.100 -0.027 0.000 1.010 308 T CB 1.175 70.023 68.868 -0.032 0.000 1.264 308 T HN 0.262 nan 8.240 nan 0.000 0.532 309 S N 0.380 116.064 115.700 -0.027 0.000 2.566 309 S HA 0.227 4.679 4.470 -0.030 0.000 0.280 309 S C 0.575 175.172 174.600 -0.005 0.000 1.343 309 S CA -0.558 57.633 58.200 -0.016 0.000 1.036 309 S CB -0.478 62.699 63.200 -0.038 0.000 0.866 309 S HN 0.562 nan 8.310 nan 0.000 0.526 310 I N 2.180 122.763 120.570 0.022 0.000 2.752 310 I HA 0.048 4.200 4.170 -0.030 0.000 0.286 310 I C 0.710 176.838 176.117 0.019 0.000 1.180 310 I CA -0.002 61.321 61.300 0.038 0.000 1.404 310 I CB -0.219 37.831 38.000 0.084 0.000 1.389 310 I HN 0.593 nan 8.210 nan 0.000 0.549 311 A N 6.609 129.439 122.820 0.016 0.000 2.274 311 A HA 0.265 4.567 4.320 -0.030 0.000 0.309 311 A C 0.991 178.584 177.584 0.015 0.000 1.226 311 A CA -0.511 51.525 52.037 -0.001 0.000 0.853 311 A CB 0.877 19.875 19.000 -0.003 0.000 1.146 311 A HN 0.775 nan 8.150 nan 0.000 0.518 312 E N 0.392 120.597 120.200 0.008 0.000 2.230 312 E HA 0.003 4.335 4.350 -0.030 0.000 0.192 312 E C 0.153 176.760 176.600 0.011 0.000 0.987 312 E CA 1.358 57.767 56.400 0.015 0.000 0.841 312 E CB 0.056 29.766 29.700 0.016 0.000 0.783 312 E HN 0.869 nan 8.360 nan 0.000 0.481 313 C N -1.057 118.251 119.300 0.014 0.000 3.239 313 C HA 0.706 5.148 4.460 -0.030 0.000 0.329 313 C C -1.142 173.872 174.990 0.040 0.000 1.252 313 C CA -1.479 57.553 59.018 0.023 0.000 1.323 313 C CB 0.784 28.549 27.740 0.042 0.000 1.663 313 C HN 0.019 nan 8.230 nan 0.000 0.487 314 L N 2.385 123.646 121.223 0.063 0.000 2.381 314 L HA 0.910 5.232 4.340 -0.030 0.000 0.268 314 L C 0.271 177.230 176.870 0.148 0.000 0.997 314 L CA 0.152 55.050 54.840 0.097 0.000 0.818 314 L CB 2.203 44.324 42.059 0.104 0.000 1.310 314 L HN 1.150 nan 8.230 nan 0.000 0.416 315 T N -0.385 114.285 114.554 0.192 0.000 3.011 315 T HA 0.373 4.705 4.350 -0.030 0.000 0.303 315 T C -0.662 174.156 174.700 0.196 0.000 0.997 315 T CA -0.623 61.591 62.100 0.190 0.000 1.007 315 T CB 0.828 69.788 68.868 0.154 0.000 1.017 315 T HN 0.289 nan 8.240 nan 0.000 0.443 316 Y N 3.349 123.698 120.300 0.083 0.000 2.497 316 Y HA 0.405 4.948 4.550 -0.012 0.000 0.334 316 Y C 0.384 176.313 175.900 0.049 0.000 1.199 316 Y CA -0.439 57.697 58.100 0.060 0.000 1.425 316 Y CB 0.439 38.921 38.460 0.037 0.000 1.291 316 Y HN 0.751 nan 8.280 nan 0.000 0.562 317 L N 2.148 123.017 121.223 -0.589 0.000 2.783 317 L HA 0.355 4.677 4.340 -0.030 0.000 0.174 317 L C -0.477 176.140 176.870 -0.421 0.000 1.235 317 L CA 0.152 54.776 54.840 -0.360 0.000 0.862 317 L CB 0.246 42.162 42.059 -0.238 0.000 1.249 317 L HN 0.497 nan 8.230 nan 0.000 0.518 318 D N -1.459 118.587 120.400 -0.590 0.000 2.751 318 D HA 0.105 4.727 4.640 -0.030 0.000 0.236 318 D C -1.393 174.782 176.300 -0.208 0.000 1.196 318 D CA -0.490 53.347 54.000 -0.271 0.000 0.741 318 D CB 0.890 41.641 40.800 -0.081 0.000 1.474 318 D HN 0.203 nan 8.370 nan 0.000 0.452 319 N N 1.634 120.336 118.700 0.004 0.000 2.725 319 N HA -0.154 4.568 4.740 -0.030 0.000 0.251 319 N C 0.933 176.471 175.510 0.045 0.000 1.031 319 N CA 1.571 54.649 53.050 0.047 0.000 0.720 319 N CB -1.493 37.002 38.487 0.014 0.000 0.930 319 N HN 1.030 nan 8.380 nan 0.000 0.543 320 G N -2.429 106.464 108.800 0.155 0.000 2.168 320 G HA2 -0.345 3.597 3.960 -0.030 0.000 0.263 320 G HA3 -0.345 3.597 3.960 -0.030 0.000 0.263 320 G C 0.094 175.025 174.900 0.051 0.000 0.977 320 G CA 0.470 45.688 45.100 0.197 0.000 0.659 320 G HN 0.521 nan 8.290 nan 0.000 0.533 321 V N 0.834 120.649 119.914 -0.164 0.000 2.432 321 V HA 0.578 4.680 4.120 -0.030 0.000 0.275 321 V C 0.519 176.489 176.094 -0.207 0.000 1.043 321 V CA -0.619 61.597 62.300 -0.140 0.000 0.925 321 V CB 1.719 33.474 31.823 -0.113 0.000 0.985 321 V HN 0.245 nan 8.190 nan 0.000 0.466 322 V N 5.598 125.497 119.914 -0.025 0.000 2.555 322 V HA 0.445 4.547 4.120 -0.030 0.000 0.302 322 V C -0.495 175.661 176.094 0.102 0.000 1.038 322 V CA -0.706 61.625 62.300 0.051 0.000 0.887 322 V CB 1.786 33.678 31.823 0.116 0.000 0.991 322 V HN 0.701 nan 8.190 nan 0.000 0.434 323 F N 5.014 124.958 119.950 -0.010 0.000 2.404 323 F HA 0.644 5.152 4.527 -0.032 0.000 0.345 323 F C -0.145 175.674 175.800 0.030 0.000 1.110 323 F CA -0.380 57.623 58.000 0.006 0.000 1.130 323 F CB 1.332 40.309 39.000 -0.037 0.000 1.129 323 F HN 0.249 nan 8.300 nan 0.000 0.500 324 V N 6.161 125.607 119.914 -0.781 0.000 2.313 324 V HA 0.442 4.544 4.120 -0.030 0.000 0.278 324 V C 0.444 176.034 176.094 -0.840 0.000 1.017 324 V CA -0.674 61.296 62.300 -0.549 0.000 0.823 324 V CB 0.914 32.574 31.823 -0.273 0.000 1.010 324 V HN 0.988 nan 8.190 nan 0.000 0.443 325 G N 2.748 111.255 108.800 -0.488 0.000 2.338 325 G HA2 0.456 4.398 3.960 -0.030 0.000 0.295 325 G HA3 0.456 4.398 3.960 -0.030 0.000 0.295 325 G C -0.202 174.642 174.900 -0.094 0.000 1.132 325 G CA -0.116 44.859 45.100 -0.208 0.000 0.922 325 G HN 0.614 nan 8.290 nan 0.000 0.427 326 S N 1.568 117.226 115.700 -0.069 0.000 2.482 326 S HA 0.459 4.911 4.470 -0.030 0.000 0.303 326 S C 1.117 175.718 174.600 0.001 0.000 1.091 326 S CA -0.840 57.342 58.200 -0.029 0.000 1.057 326 S CB 1.519 64.697 63.200 -0.036 0.000 1.031 326 S HN 0.625 nan 8.310 nan 0.000 0.485 327 R N 2.649 123.153 120.500 0.007 0.000 2.195 327 R HA 0.333 4.655 4.340 -0.030 0.000 0.197 327 R C 1.153 177.453 176.300 -0.001 0.000 0.990 327 R CA 0.426 56.530 56.100 0.006 0.000 1.048 327 R CB 0.009 30.314 30.300 0.008 0.000 0.997 327 R HN 0.578 nan 8.270 nan 0.000 0.502 328 L N -0.550 120.676 121.223 0.005 0.000 2.585 328 L HA 0.282 4.604 4.340 -0.030 0.000 0.226 328 L C 0.958 177.816 176.870 -0.021 0.000 1.113 328 L CA -0.104 54.732 54.840 -0.007 0.000 0.876 328 L CB 0.815 42.897 42.059 0.038 0.000 1.072 328 L HN 0.140 nan 8.230 nan 0.000 0.468 329 G N -1.784 107.008 108.800 -0.014 0.000 2.782 329 G HA2 0.246 4.188 3.960 -0.030 0.000 0.304 329 G HA3 0.246 4.188 3.960 -0.030 0.000 0.304 329 G C -1.698 173.190 174.900 -0.021 0.000 1.315 329 G CA -0.573 44.511 45.100 -0.027 0.000 0.791 329 G HN -0.232 nan 8.290 nan 0.000 0.519 330 D N 0.694 121.077 120.400 -0.028 0.000 2.455 330 D HA 0.410 5.032 4.640 -0.030 0.000 0.241 330 D C 0.606 176.904 176.300 -0.002 0.000 1.138 330 D CA 0.536 54.532 54.000 -0.008 0.000 0.877 330 D CB 1.285 42.065 40.800 -0.032 0.000 1.187 330 D HN 0.155 nan 8.370 nan 0.000 0.451 331 S N 1.403 117.138 115.700 0.060 0.000 2.617 331 S HA 0.295 4.747 4.470 -0.030 0.000 0.269 331 S C 0.118 174.769 174.600 0.085 0.000 1.292 331 S CA -0.568 57.649 58.200 0.028 0.000 1.010 331 S CB 0.926 64.183 63.200 0.095 0.000 0.944 331 S HN 0.296 nan 8.310 nan 0.000 0.536 332 Q N 0.684 120.432 119.800 -0.086 0.000 2.389 332 Q HA 0.506 4.828 4.340 -0.030 0.000 0.277 332 Q C -1.716 174.284 176.000 -0.001 0.000 1.082 332 Q CA -0.858 54.903 55.803 -0.070 0.000 0.810 332 Q CB 2.054 30.725 28.738 -0.110 0.000 1.374 332 Q HN 0.337 nan 8.270 nan 0.000 0.422 333 L N 2.122 123.390 121.223 0.075 0.000 2.272 333 L HA 0.542 4.864 4.340 -0.030 0.000 0.289 333 L C -1.228 175.653 176.870 0.019 0.000 1.032 333 L CA -0.395 54.524 54.840 0.133 0.000 0.810 333 L CB 1.646 43.818 42.059 0.189 0.000 1.205 333 L HN 0.432 nan 8.230 nan 0.000 0.422 334 V N 4.326 124.254 119.914 0.023 0.000 2.735 334 V HA 0.543 4.645 4.120 -0.030 0.000 0.310 334 V C -0.559 175.548 176.094 0.022 0.000 1.061 334 V CA -0.919 61.385 62.300 0.007 0.000 0.913 334 V CB 2.324 34.145 31.823 -0.003 0.000 1.005 334 V HN 0.706 nan 8.190 nan 0.000 0.428 335 K N 4.610 125.024 120.400 0.023 0.000 2.206 335 K HA 0.616 4.918 4.320 -0.030 0.000 0.264 335 K C -1.250 175.387 176.600 0.062 0.000 0.967 335 K CA -0.237 56.072 56.287 0.036 0.000 0.844 335 K CB 1.184 33.699 32.500 0.026 0.000 1.099 335 K HN 0.589 nan 8.250 nan 0.000 0.441 336 L N 4.962 126.237 121.223 0.087 0.000 2.287 336 L HA 0.372 4.694 4.340 -0.030 0.000 0.280 336 L C -0.297 176.636 176.870 0.106 0.000 1.055 336 L CA -0.817 54.088 54.840 0.108 0.000 0.863 336 L CB 0.668 42.800 42.059 0.121 0.000 1.245 336 L HN 0.618 nan 8.230 nan 0.000 0.432 337 N N 1.018 119.795 118.700 0.128 0.000 2.515 337 N HA 0.111 4.833 4.740 -0.030 0.000 0.279 337 N C 1.150 176.769 175.510 0.181 0.000 1.164 337 N CA -0.319 52.808 53.050 0.128 0.000 0.982 337 N CB 2.301 40.853 38.487 0.109 0.000 1.170 337 N HN 0.370 nan 8.380 nan 0.000 0.474 338 V N -1.851 118.137 119.914 0.124 0.000 2.970 338 V HA 0.028 4.130 4.120 -0.030 0.000 0.260 338 V C 0.163 176.411 176.094 0.257 0.000 1.100 338 V CA 1.068 63.436 62.300 0.114 0.000 1.122 338 V CB -0.531 31.322 31.823 0.051 0.000 0.721 338 V HN 0.361 nan 8.190 nan 0.000 0.483 339 D N 1.789 122.320 120.400 0.218 0.000 2.274 339 D HA 0.480 5.102 4.640 -0.030 0.000 0.239 339 D C 0.333 176.667 176.300 0.055 0.000 1.104 339 D CA 0.279 54.371 54.000 0.153 0.000 0.840 339 D CB 1.352 42.191 40.800 0.064 0.000 1.100 339 D HN 0.595 nan 8.370 nan 0.000 0.477 340 S N 2.280 117.858 115.700 -0.203 0.000 2.580 340 S HA 0.278 4.730 4.470 -0.030 0.000 0.274 340 S C 0.534 174.977 174.600 -0.261 0.000 1.329 340 S CA -0.938 56.913 58.200 -0.582 0.000 1.036 340 S CB 0.989 63.583 63.200 -1.010 0.000 0.919 340 S HN 0.500 nan 8.310 nan 0.000 0.515 341 N N 1.414 119.981 118.700 -0.222 0.000 2.452 341 N HA 0.170 4.892 4.740 -0.030 0.000 0.296 341 N C 0.735 176.173 175.510 -0.119 0.000 1.304 341 N CA -0.567 52.406 53.050 -0.128 0.000 0.956 341 N CB -0.351 38.079 38.487 -0.095 0.000 1.106 341 N HN 0.651 nan 8.380 nan 0.000 0.555 342 E N -0.807 119.342 120.200 -0.085 0.000 2.153 342 E HA -0.139 4.193 4.350 -0.030 0.000 0.194 342 E C 1.322 177.875 176.600 -0.077 0.000 0.988 342 E CA 1.113 57.471 56.400 -0.071 0.000 0.811 342 E CB -0.071 29.597 29.700 -0.053 0.000 0.746 342 E HN 0.532 nan 8.360 nan 0.000 0.466 343 Q N -0.823 118.925 119.800 -0.087 0.000 2.331 343 Q HA 0.058 4.380 4.340 -0.030 0.000 0.203 343 Q C 1.380 177.314 176.000 -0.109 0.000 0.944 343 Q CA 0.932 56.684 55.803 -0.086 0.000 0.892 343 Q CB 0.554 29.244 28.738 -0.080 0.000 0.983 343 Q HN 0.407 nan 8.270 nan 0.000 0.482 344 G N 1.090 109.796 108.800 -0.156 0.000 2.134 344 G HA2 -0.220 3.722 3.960 -0.030 0.000 0.209 344 G HA3 -0.220 3.722 3.960 -0.030 0.000 0.209 344 G C 0.044 174.758 174.900 -0.310 0.000 0.993 344 G CA 0.415 45.381 45.100 -0.223 0.000 0.669 344 G HN 0.327 nan 8.290 nan 0.000 0.519 345 S N -0.870 114.672 115.700 -0.264 0.000 2.525 345 S HA 0.658 5.110 4.470 -0.030 0.000 0.278 345 S C 1.039 175.463 174.600 -0.293 0.000 1.234 345 S CA -0.417 57.652 58.200 -0.219 0.000 1.058 345 S CB 0.806 63.940 63.200 -0.111 0.000 0.983 345 S HN 0.306 nan 8.310 nan 0.000 0.495 346 Y N 2.836 123.117 120.300 -0.032 0.000 2.466 346 Y HA 0.273 4.816 4.550 -0.012 0.000 0.272 346 Y C 0.556 176.447 175.900 -0.014 0.000 1.169 346 Y CA -0.215 57.874 58.100 -0.018 0.000 1.285 346 Y CB 0.454 38.907 38.460 -0.013 0.000 1.078 346 Y HN 0.352 nan 8.280 nan 0.000 0.523 347 V N 1.279 121.243 119.914 0.084 0.000 2.439 347 V HA 0.349 4.451 4.120 -0.030 0.000 0.282 347 V C -0.369 175.732 176.094 0.013 0.000 1.039 347 V CA -0.857 61.471 62.300 0.047 0.000 0.913 347 V CB 1.642 33.477 31.823 0.019 0.000 0.983 347 V HN -0.138 nan 8.190 nan 0.000 0.460 348 V N 4.773 124.696 119.914 0.014 0.000 2.686 348 V HA 0.842 4.944 4.120 -0.030 0.000 0.306 348 V C 0.190 176.279 176.094 -0.010 0.000 1.065 348 V CA -0.435 61.863 62.300 -0.003 0.000 0.894 348 V CB 1.867 33.689 31.823 -0.001 0.000 1.004 348 V HN 1.101 nan 8.190 nan 0.000 0.424 349 A N 6.706 129.512 122.820 -0.024 0.000 2.450 349 A HA 0.570 4.872 4.320 -0.030 0.000 0.255 349 A C 0.504 178.061 177.584 -0.045 0.000 1.096 349 A CA -0.065 51.949 52.037 -0.040 0.000 0.778 349 A CB 0.674 19.642 19.000 -0.053 0.000 1.031 349 A HN 0.993 nan 8.150 nan 0.000 0.494 350 M N 0.608 120.177 119.600 -0.052 0.000 2.718 350 M HA 0.190 4.652 4.480 -0.030 0.000 0.259 350 M C 0.207 176.446 176.300 -0.101 0.000 1.240 350 M CA 1.133 56.401 55.300 -0.053 0.000 1.210 350 M CB 0.327 32.912 32.600 -0.026 0.000 1.281 350 M HN 0.746 nan 8.290 nan 0.000 0.515 351 E N 0.340 120.440 120.200 -0.166 0.000 2.343 351 E HA 0.288 4.620 4.350 -0.030 0.000 0.278 351 E C -1.119 175.173 176.600 -0.512 0.000 0.910 351 E CA -0.468 55.724 56.400 -0.347 0.000 0.757 351 E CB 2.617 32.064 29.700 -0.421 0.000 1.218 351 E HN 0.094 nan 8.360 nan 0.000 0.435 352 T N -0.491 113.730 114.554 -0.555 0.000 2.856 352 T HA 0.681 5.014 4.350 -0.030 0.000 0.283 352 T C -0.846 173.474 174.700 -0.632 0.000 1.008 352 T CA -0.594 61.217 62.100 -0.481 0.000 0.997 352 T CB 0.393 69.129 68.868 -0.220 0.000 0.992 352 T HN 0.258 nan 8.240 nan 0.000 0.454 353 F N 1.262 121.206 119.950 -0.010 0.000 2.467 353 F HA 0.405 4.913 4.527 -0.031 0.000 0.336 353 F C 1.028 176.823 175.800 -0.008 0.000 1.123 353 F CA -0.998 57.009 58.000 0.012 0.000 0.964 353 F CB 1.883 40.919 39.000 0.061 0.000 1.136 353 F HN 0.510 nan 8.300 nan 0.000 0.447 354 T N 2.745 117.384 114.554 0.141 0.000 2.829 354 T HA 0.010 4.342 4.350 -0.030 0.000 0.293 354 T C -0.186 174.548 174.700 0.058 0.000 0.970 354 T CA 0.184 62.315 62.100 0.052 0.000 1.168 354 T CB -0.208 68.667 68.868 0.012 0.000 0.911 354 T HN 0.433 nan 8.240 nan 0.000 0.535 355 N N 3.386 122.099 118.700 0.022 0.000 2.399 355 N HA 0.274 4.996 4.740 -0.030 0.000 0.280 355 N C 0.464 175.960 175.510 -0.022 0.000 1.008 355 N CA -0.719 52.337 53.050 0.011 0.000 0.894 355 N CB 0.845 39.341 38.487 0.015 0.000 1.273 355 N HN 0.441 nan 8.380 nan 0.000 0.486 356 L N 1.189 122.398 121.223 -0.023 0.000 2.558 356 L HA 0.370 4.693 4.340 -0.030 0.000 0.225 356 L C 1.281 178.127 176.870 -0.039 0.000 1.128 356 L CA -0.103 54.712 54.840 -0.042 0.000 0.868 356 L CB -0.188 41.847 42.059 -0.040 0.000 1.006 356 L HN 0.494 nan 8.230 nan 0.000 0.454 357 G N -0.141 108.643 108.800 -0.027 0.000 2.441 357 G HA2 0.526 4.468 3.960 -0.030 0.000 0.334 357 G HA3 0.526 4.468 3.960 -0.030 0.000 0.334 357 G C -2.836 172.042 174.900 -0.036 0.000 1.161 357 G CA -1.283 43.803 45.100 -0.022 0.000 0.935 357 G HN -0.199 nan 8.290 nan 0.000 0.488 358 P HA 0.216 nan 4.420 nan 0.000 0.275 358 P C -0.225 177.060 177.300 -0.026 0.000 1.227 358 P CA -0.184 62.902 63.100 -0.024 0.000 0.781 358 P CB 0.957 32.637 31.700 -0.034 0.000 0.906 359 I N 3.300 123.868 120.570 -0.005 0.000 2.308 359 I HA 0.032 4.184 4.170 -0.030 0.000 0.293 359 I C 1.375 177.498 176.117 0.011 0.000 1.078 359 I CA 0.114 61.409 61.300 -0.009 0.000 1.292 359 I CB 0.742 38.737 38.000 -0.009 0.000 1.423 359 I HN 0.173 nan 8.210 nan 0.000 0.493 360 V N 4.893 124.809 119.914 0.002 0.000 3.565 360 V HA 0.145 4.247 4.120 -0.030 0.000 0.260 360 V C -0.076 176.043 176.094 0.041 0.000 1.231 360 V CA 1.052 63.367 62.300 0.026 0.000 1.100 360 V CB 0.068 31.893 31.823 0.003 0.000 0.807 360 V HN 0.856 nan 8.190 nan 0.000 0.454 361 D N -0.809 119.607 120.400 0.026 0.000 2.742 361 D HA 0.452 5.074 4.640 -0.030 0.000 0.262 361 D C -0.965 175.352 176.300 0.028 0.000 1.240 361 D CA -0.360 53.666 54.000 0.043 0.000 0.752 361 D CB 1.449 42.289 40.800 0.067 0.000 1.290 361 D HN 0.130 nan 8.370 nan 0.000 0.420 362 M N -0.131 119.498 119.600 0.049 0.000 2.732 362 M HA 0.692 5.154 4.480 -0.030 0.000 0.272 362 M C -1.635 174.718 176.300 0.088 0.000 1.203 362 M CA -0.830 54.496 55.300 0.043 0.000 0.841 362 M CB 1.839 34.449 32.600 0.017 0.000 1.685 362 M HN 0.727 nan 8.290 nan 0.000 0.492 363 C N -0.083 119.277 119.300 0.100 0.000 3.173 363 C HA 0.913 5.356 4.460 -0.030 0.000 0.310 363 C C -0.762 174.300 174.990 0.119 0.000 1.306 363 C CA -0.780 58.324 59.018 0.144 0.000 1.426 363 C CB 1.434 29.311 27.740 0.228 0.000 1.800 363 C HN 0.815 nan 8.230 nan 0.000 0.470 364 V N 2.301 122.281 119.914 0.110 0.000 2.370 364 V HA 0.658 4.760 4.120 -0.030 0.000 0.279 364 V C -0.100 176.021 176.094 0.046 0.000 1.029 364 V CA -0.123 62.222 62.300 0.075 0.000 0.870 364 V CB 1.152 33.017 31.823 0.070 0.000 0.984 364 V HN 0.826 nan 8.190 nan 0.000 0.451 365 V N 3.240 123.158 119.914 0.006 0.000 2.656 365 V HA 0.378 4.480 4.120 -0.030 0.000 0.307 365 V C -0.157 175.892 176.094 -0.074 0.000 1.051 365 V CA -0.648 61.573 62.300 -0.131 0.000 0.893 365 V CB 2.210 33.825 31.823 -0.346 0.000 0.999 365 V HN 0.822 nan 8.190 nan 0.000 0.426 366 D N 3.852 124.204 120.400 -0.080 0.000 2.608 366 D HA 0.224 4.846 4.640 -0.030 0.000 0.224 366 D C 0.856 177.140 176.300 -0.027 0.000 1.123 366 D CA 0.282 54.266 54.000 -0.026 0.000 1.030 366 D CB 0.254 41.051 40.800 -0.005 0.000 1.093 366 D HN 0.455 nan 8.370 nan 0.000 0.497 367 L N 0.917 122.136 121.223 -0.008 0.000 1.882 367 L HA -0.101 4.221 4.340 -0.030 0.000 0.222 367 L C 2.353 179.277 176.870 0.089 0.000 1.095 367 L CA 0.890 55.746 54.840 0.026 0.000 0.794 367 L CB -0.190 41.933 42.059 0.106 0.000 0.886 367 L HN 0.239 nan 8.230 nan 0.000 0.429 368 E N -0.601 119.674 120.200 0.126 0.000 2.077 368 E HA -0.136 4.196 4.350 -0.030 0.000 0.193 368 E C 1.523 178.180 176.600 0.096 0.000 0.989 368 E CA 0.988 57.474 56.400 0.143 0.000 0.800 368 E CB 0.222 30.007 29.700 0.142 0.000 0.746 368 E HN 0.367 nan 8.360 nan 0.000 0.452 369 R N -0.542 119.998 120.500 0.067 0.000 2.702 369 R HA 0.322 4.644 4.340 -0.030 0.000 0.166 369 R C 0.316 176.639 176.300 0.038 0.000 1.402 369 R CA -0.568 55.559 56.100 0.045 0.000 1.077 369 R CB 0.519 30.837 30.300 0.031 0.000 1.947 369 R HN -0.108 nan 8.270 nan 0.000 0.494 370 Q N -0.747 119.069 119.800 0.026 0.000 2.320 370 Q HA 0.256 4.578 4.340 -0.030 0.000 0.272 370 Q C -0.513 175.496 176.000 0.014 0.000 1.023 370 Q CA 0.507 56.323 55.803 0.021 0.000 0.855 370 Q CB 2.183 30.934 28.738 0.020 0.000 1.367 370 Q HN 0.818 nan 8.270 nan 0.000 0.406 371 G N 2.472 111.280 108.800 0.012 0.000 2.199 371 G HA2 -0.357 3.585 3.960 -0.030 0.000 0.254 371 G HA3 -0.357 3.585 3.960 -0.030 0.000 0.254 371 G C 0.553 175.458 174.900 0.009 0.000 0.982 371 G CA 0.921 46.026 45.100 0.008 0.000 0.632 371 G HN 0.561 nan 8.290 nan 0.000 0.529 372 Q N 0.060 119.868 119.800 0.014 0.000 1.775 372 Q HA 0.456 4.778 4.340 -0.030 0.000 0.303 372 Q C 1.259 177.271 176.000 0.019 0.000 0.954 372 Q CA 1.856 57.669 55.803 0.016 0.000 0.883 372 Q CB -0.013 28.738 28.738 0.023 0.000 0.916 372 Q HN 1.958 nan 8.270 nan 0.000 0.427 373 G N 0.722 109.536 108.800 0.023 0.000 3.367 373 G HA2 -0.081 3.861 3.960 -0.030 0.000 0.686 373 G HA3 -0.081 3.861 3.960 -0.030 0.000 0.686 373 G C -1.452 173.468 174.900 0.033 0.000 1.146 373 G CA -0.520 44.595 45.100 0.025 0.000 0.913 373 G HN 0.330 nan 8.290 nan 0.000 0.554 374 Q N 1.227 121.049 119.800 0.037 0.000 2.347 374 Q HA 0.577 4.899 4.340 -0.030 0.000 0.271 374 Q C -0.257 175.766 176.000 0.039 0.000 1.064 374 Q CA -0.950 54.880 55.803 0.045 0.000 0.800 374 Q CB 3.031 31.810 28.738 0.068 0.000 1.304 374 Q HN 0.583 nan 8.270 nan 0.000 0.438 375 L N 2.552 123.787 121.223 0.021 0.000 2.290 375 L HA 0.378 4.700 4.340 -0.030 0.000 0.284 375 L C -0.755 176.100 176.870 -0.025 0.000 1.078 375 L CA -0.636 54.208 54.840 0.007 0.000 0.815 375 L CB 1.049 43.102 42.059 -0.009 0.000 1.162 375 L HN 0.361 nan 8.230 nan 0.000 0.435 376 V N 2.353 122.249 119.914 -0.030 0.000 2.384 376 V HA 0.434 4.536 4.120 -0.030 0.000 0.287 376 V C 0.246 176.280 176.094 -0.100 0.000 1.020 376 V CA -0.625 61.602 62.300 -0.122 0.000 0.850 376 V CB 1.604 33.264 31.823 -0.271 0.000 0.987 376 V HN 0.834 nan 8.190 nan 0.000 0.436 377 T N 0.804 115.287 114.554 -0.119 0.000 2.885 377 T HA 0.465 4.797 4.350 -0.030 0.000 0.285 377 T C -0.342 174.302 174.700 -0.093 0.000 1.019 377 T CA -0.618 61.433 62.100 -0.082 0.000 1.010 377 T CB 1.397 70.220 68.868 -0.074 0.000 1.022 377 T HN 0.578 nan 8.240 nan 0.000 0.466 378 C N 3.305 122.569 119.300 -0.059 0.000 2.349 378 C HA 0.699 5.141 4.460 -0.030 0.000 0.348 378 C C 0.656 175.605 174.990 -0.069 0.000 1.223 378 C CA -0.360 58.621 59.018 -0.062 0.000 1.746 378 C CB -1.187 26.534 27.740 -0.032 0.000 2.360 378 C HN 0.942 nan 8.230 nan 0.000 0.533 379 S N 1.729 117.373 115.700 -0.093 0.000 2.536 379 S HA 0.889 5.341 4.470 -0.030 0.000 0.298 379 S C 0.312 174.846 174.600 -0.111 0.000 1.083 379 S CA 0.496 58.641 58.200 -0.093 0.000 0.995 379 S CB 1.735 64.877 63.200 -0.097 0.000 1.058 379 S HN 1.484 nan 8.310 nan 0.000 0.488 380 G N 1.138 109.874 108.800 -0.106 0.000 2.750 380 G HA2 0.326 4.268 3.960 -0.030 0.000 0.228 380 G HA3 0.326 4.268 3.960 -0.030 0.000 0.228 380 G C -0.395 174.388 174.900 -0.196 0.000 1.367 380 G CA -0.254 44.771 45.100 -0.126 0.000 0.871 380 G HN 1.541 nan 8.290 nan 0.000 0.560 381 A N -1.578 121.087 122.820 -0.258 0.000 2.594 381 A HA 1.058 5.360 4.320 -0.030 0.000 0.291 381 A C 0.242 177.591 177.584 -0.392 0.000 1.105 381 A CA 0.446 52.165 52.037 -0.530 0.000 0.694 381 A CB 0.501 18.933 19.000 -0.946 0.000 1.291 381 A HN 2.357 nan 8.150 nan 0.000 0.410 382 F N -0.497 119.436 119.950 -0.029 0.000 2.157 382 F HA -0.412 4.097 4.527 -0.030 0.000 0.312 382 F C 2.174 177.970 175.800 -0.008 0.000 0.144 382 F CA 1.473 59.463 58.000 -0.017 0.000 0.896 382 F CB -0.642 38.354 39.000 -0.006 0.000 4.054 382 F HN 0.831 nan 8.300 nan 0.000 0.189 383 K N 0.550 121.100 120.400 0.250 0.000 2.442 383 K HA -0.169 4.133 4.320 -0.030 0.000 0.199 383 K C 1.151 177.806 176.600 0.092 0.000 1.044 383 K CA 2.222 58.614 56.287 0.174 0.000 0.941 383 K CB -0.233 32.365 32.500 0.164 0.000 0.759 383 K HN 0.541 nan 8.250 nan 0.000 0.472 384 E N 0.829 121.058 120.200 0.050 0.000 2.474 384 E HA 0.152 4.484 4.350 -0.030 0.000 0.195 384 E C 0.253 176.789 176.600 -0.107 0.000 1.039 384 E CA 0.025 56.406 56.400 -0.032 0.000 0.881 384 E CB 0.494 30.195 29.700 0.001 0.000 0.970 384 E HN 0.474 nan 8.360 nan 0.000 0.486 385 G N 0.452 109.185 108.800 -0.111 0.000 2.414 385 G HA2 0.301 4.243 3.960 -0.030 0.000 0.236 385 G HA3 0.301 4.243 3.960 -0.030 0.000 0.236 385 G C -0.143 174.647 174.900 -0.183 0.000 1.293 385 G CA 0.486 45.500 45.100 -0.144 0.000 0.869 385 G HN 0.203 nan 8.290 nan 0.000 0.556 386 S N 0.803 116.403 115.700 -0.167 0.000 2.615 386 S HA 0.629 5.081 4.470 -0.030 0.000 0.269 386 S C -0.956 173.548 174.600 -0.159 0.000 1.161 386 S CA -1.070 57.019 58.200 -0.185 0.000 0.817 386 S CB 1.220 64.301 63.200 -0.199 0.000 1.131 386 S HN 0.574 nan 8.310 nan 0.000 0.467 387 L N 1.410 122.526 121.223 -0.178 0.000 2.322 387 L HA 0.682 5.005 4.340 -0.030 0.000 0.279 387 L C -0.072 176.652 176.870 -0.244 0.000 1.036 387 L CA -0.951 53.768 54.840 -0.201 0.000 0.807 387 L CB 1.202 43.132 42.059 -0.215 0.000 1.226 387 L HN 0.559 nan 8.230 nan 0.000 0.433 388 R N 3.288 123.654 120.500 -0.223 0.000 2.494 388 R HA 0.588 4.910 4.340 -0.030 0.000 0.305 388 R C -1.105 175.056 176.300 -0.233 0.000 0.959 388 R CA -0.843 55.125 56.100 -0.221 0.000 0.864 388 R CB 2.080 32.286 30.300 -0.156 0.000 1.159 388 R HN 0.406 nan 8.270 nan 0.000 0.446 389 I N 4.077 124.489 120.570 -0.262 0.000 2.339 389 I HA 0.401 4.553 4.170 -0.030 0.000 0.290 389 I C 0.019 176.062 176.117 -0.123 0.000 0.994 389 I CA -0.213 60.966 61.300 -0.202 0.000 1.191 389 I CB 1.191 39.037 38.000 -0.258 0.000 1.343 389 I HN 0.401 nan 8.210 nan 0.000 0.458 390 I N 6.324 126.856 120.570 -0.064 0.000 2.433 390 I HA 0.561 4.713 4.170 -0.030 0.000 0.292 390 I C -0.126 176.003 176.117 0.021 0.000 1.001 390 I CA -0.597 60.684 61.300 -0.032 0.000 1.119 390 I CB 1.337 39.315 38.000 -0.037 0.000 1.289 390 I HN 0.430 nan 8.210 nan 0.000 0.438 391 R N 5.130 125.667 120.500 0.060 0.000 2.628 391 R HA 0.405 4.727 4.340 -0.030 0.000 0.288 391 R C -1.061 175.287 176.300 0.081 0.000 0.980 391 R CA -0.722 55.430 56.100 0.086 0.000 0.891 391 R CB 1.963 32.348 30.300 0.142 0.000 1.188 391 R HN 0.684 nan 8.270 nan 0.000 0.450 392 N N 1.005 119.738 118.700 0.054 0.000 2.497 392 N HA 0.249 4.972 4.740 -0.030 0.000 0.268 392 N C 0.277 175.807 175.510 0.033 0.000 1.171 392 N CA 1.270 54.346 53.050 0.044 0.000 0.948 392 N CB 0.784 39.287 38.487 0.027 0.000 1.069 392 N HN 0.823 nan 8.380 nan 0.000 0.460 393 G N 1.631 110.451 108.800 0.033 0.000 2.698 393 G HA2 -0.223 3.719 3.960 -0.030 0.000 0.225 393 G HA3 -0.223 3.719 3.960 -0.030 0.000 0.225 393 G C -0.733 174.164 174.900 -0.006 0.000 1.345 393 G CA -0.791 44.314 45.100 0.008 0.000 0.871 393 G HN 0.521 nan 8.290 nan 0.000 0.540 394 I N 1.467 122.013 120.570 -0.040 0.000 2.378 394 I HA 0.604 4.756 4.170 -0.030 0.000 0.291 394 I C 1.050 177.103 176.117 -0.107 0.000 0.992 394 I CA -0.223 61.035 61.300 -0.069 0.000 1.154 394 I CB 1.755 39.721 38.000 -0.057 0.000 1.315 394 I HN 0.869 nan 8.210 nan 0.000 0.448 395 G N 6.710 115.398 108.800 -0.187 0.000 2.437 395 G HA2 0.688 4.630 3.960 -0.030 0.000 0.319 395 G HA3 0.688 4.630 3.960 -0.030 0.000 0.319 395 G C -0.619 174.072 174.900 -0.348 0.000 1.158 395 G CA -0.386 44.562 45.100 -0.253 0.000 0.899 395 G HN 0.515 nan 8.290 nan 0.000 0.502 396 I N -1.185 119.175 120.570 -0.349 0.000 2.569 396 I HA 0.486 4.638 4.170 -0.030 0.000 0.296 396 I C -1.277 174.588 176.117 -0.420 0.000 1.028 396 I CA -1.370 59.722 61.300 -0.347 0.000 1.082 396 I CB 1.733 39.651 38.000 -0.135 0.000 1.264 396 I HN 0.411 nan 8.210 nan 0.000 0.429 397 H N 4.912 123.970 119.070 -0.020 0.000 2.690 397 H HA 0.411 4.949 4.556 -0.030 0.000 0.280 397 H C -0.557 174.699 175.328 -0.120 0.000 1.138 397 H CA -0.453 55.551 56.048 -0.074 0.000 1.241 397 H CB 0.676 30.406 29.762 -0.053 0.000 1.394 397 H HN 0.612 nan 8.280 nan 0.000 0.489 398 E N 1.513 121.683 120.200 -0.049 0.000 2.376 398 E HA 0.011 4.343 4.350 -0.030 0.000 0.266 398 E C 0.075 176.581 176.600 -0.156 0.000 1.009 398 E CA 0.222 56.593 56.400 -0.049 0.000 0.902 398 E CB 0.850 30.527 29.700 -0.037 0.000 0.972 398 E HN 0.653 nan 8.360 nan 0.000 0.439 399 H N 0.626 119.751 119.070 0.092 0.000 3.046 399 H HA 0.386 4.924 4.556 -0.030 0.000 0.262 399 H C -0.498 174.933 175.328 0.171 0.000 1.044 399 H CA 0.270 56.417 56.048 0.165 0.000 1.209 399 H CB 1.254 31.197 29.762 0.302 0.000 1.507 399 H HN 0.461 nan 8.280 nan 0.000 0.507 400 A N -0.072 122.839 122.820 0.152 0.000 2.547 400 A HA 0.639 4.941 4.320 -0.030 0.000 0.297 400 A C -1.103 176.483 177.584 0.003 0.000 1.056 400 A CA -0.595 51.486 52.037 0.074 0.000 0.688 400 A CB 1.689 20.688 19.000 -0.003 0.000 1.282 400 A HN 0.013 nan 8.150 nan 0.000 0.400 401 S N 1.802 117.509 115.700 0.011 0.000 2.736 401 S HA 0.633 5.085 4.470 -0.030 0.000 0.285 401 S C -1.202 173.401 174.600 0.006 0.000 1.163 401 S CA -0.506 57.693 58.200 -0.002 0.000 1.025 401 S CB 0.198 63.399 63.200 0.002 0.000 1.030 401 S HN 0.568 nan 8.310 nan 0.000 0.486 402 I N 3.477 124.047 120.570 0.000 0.000 2.433 402 I HA 0.402 4.554 4.170 -0.030 0.000 0.292 402 I C -0.619 175.511 176.117 0.022 0.000 1.001 402 I CA -0.831 60.477 61.300 0.014 0.000 1.119 402 I CB 1.768 39.778 38.000 0.016 0.000 1.289 402 I HN 0.508 nan 8.210 nan 0.000 0.438 403 D N 7.549 127.966 120.400 0.027 0.000 2.402 403 D HA 0.401 5.023 4.640 -0.030 0.000 0.235 403 D C -0.232 176.099 176.300 0.052 0.000 1.226 403 D CA 0.274 54.294 54.000 0.033 0.000 0.918 403 D CB 0.613 41.429 40.800 0.026 0.000 1.043 403 D HN 0.301 nan 8.370 nan 0.000 0.506 404 L N 4.718 125.986 121.223 0.075 0.000 2.485 404 L HA 0.311 4.634 4.340 -0.030 0.000 0.260 404 L C -2.344 174.628 176.870 0.170 0.000 0.998 404 L CA -1.755 53.166 54.840 0.135 0.000 0.883 404 L CB 2.443 44.617 42.059 0.192 0.000 1.196 404 L HN 0.024 nan 8.230 nan 0.000 0.443 405 P HA 0.166 nan 4.420 nan 0.000 0.274 405 P C 0.752 178.213 177.300 0.267 0.000 1.246 405 P CA 0.316 63.510 63.100 0.156 0.000 0.795 405 P CB 1.208 32.970 31.700 0.103 0.000 1.006 406 G N 0.689 109.615 108.800 0.209 0.000 2.153 406 G HA2 -0.253 3.689 3.960 -0.030 0.000 0.252 406 G HA3 -0.253 3.689 3.960 -0.030 0.000 0.252 406 G C 0.188 175.194 174.900 0.177 0.000 0.994 406 G CA -0.200 45.050 45.100 0.251 0.000 0.698 406 G HN 0.497 nan 8.290 nan 0.000 0.521 407 I N 0.291 120.849 120.570 -0.020 0.000 2.598 407 I HA 0.108 4.260 4.170 -0.030 0.000 0.284 407 I C 1.281 177.207 176.117 -0.319 0.000 1.140 407 I CA 0.292 61.346 61.300 -0.409 0.000 1.420 407 I CB 0.740 38.556 38.000 -0.306 0.000 1.387 407 I HN -0.071 nan 8.210 nan 0.000 0.553 408 K N 4.809 124.889 120.400 -0.533 0.000 2.374 408 K HA 0.371 4.674 4.320 -0.030 0.000 0.202 408 K C 0.262 176.157 176.600 -1.174 0.000 1.040 408 K CA -0.067 55.856 56.287 -0.606 0.000 1.085 408 K CB 1.299 33.704 32.500 -0.158 0.000 0.873 408 K HN 0.863 nan 8.250 nan 0.000 0.539 409 G N 0.783 108.893 108.800 -1.150 0.000 2.429 409 G HA2 0.400 4.342 3.960 -0.030 0.000 0.300 409 G HA3 0.400 4.342 3.960 -0.030 0.000 0.300 409 G C -1.878 172.297 174.900 -1.208 0.000 1.598 409 G CA -0.851 43.484 45.100 -1.276 0.000 0.863 409 G HN -0.010 nan 8.290 nan 0.000 0.614 410 L N 0.752 121.142 121.223 -1.388 0.000 2.410 410 L HA 0.735 5.057 4.340 -0.030 0.000 0.270 410 L C -0.930 175.310 176.870 -1.050 0.000 0.983 410 L CA -0.750 53.563 54.840 -0.879 0.000 0.822 410 L CB 2.310 44.090 42.059 -0.466 0.000 1.285 410 L HN 0.546 nan 8.230 nan 0.000 0.409 411 W N 3.013 124.259 121.300 -0.090 0.000 3.097 411 W HA 0.363 5.005 4.660 -0.030 0.000 0.335 411 W C -2.690 173.782 176.519 -0.078 0.000 1.114 411 W CA -1.547 55.739 57.345 -0.097 0.000 1.231 411 W CB 2.232 31.570 29.460 -0.203 0.000 1.388 411 W HN 0.114 nan 8.180 nan 0.000 0.485 412 P HA 0.469 nan 4.420 nan 0.000 0.282 412 P C -1.083 176.264 177.300 0.079 0.000 1.249 412 P CA -0.277 62.871 63.100 0.080 0.000 0.806 412 P CB 2.360 34.097 31.700 0.062 0.000 0.984 413 L N 2.136 123.388 121.223 0.048 0.000 2.455 413 L HA 0.520 4.842 4.340 -0.030 0.000 0.264 413 L C -0.132 176.746 176.870 0.013 0.000 0.968 413 L CA -0.805 54.051 54.840 0.027 0.000 0.827 413 L CB 2.532 44.591 42.059 -0.000 0.000 1.317 413 L HN 0.217 nan 8.230 nan 0.000 0.407 414 R N 1.992 122.502 120.500 0.016 0.000 2.666 414 R HA 0.223 4.545 4.340 -0.030 0.000 0.275 414 R C 0.699 176.996 176.300 -0.004 0.000 1.266 414 R CA 0.052 56.159 56.100 0.012 0.000 1.401 414 R CB 0.996 31.312 30.300 0.027 0.000 1.145 414 R HN 0.771 nan 8.270 nan 0.000 0.581 415 S N 1.705 117.390 115.700 -0.025 0.000 2.423 415 S HA -0.095 4.357 4.470 -0.030 0.000 0.231 415 S C 0.531 175.116 174.600 -0.026 0.000 1.014 415 S CA 0.832 59.004 58.200 -0.046 0.000 0.965 415 S CB 0.098 63.255 63.200 -0.072 0.000 0.785 415 S HN 0.595 nan 8.310 nan 0.000 0.495 416 D N 1.062 121.455 120.400 -0.012 0.000 2.373 416 D HA 0.266 4.888 4.640 -0.030 0.000 0.227 416 D C -1.792 174.510 176.300 0.004 0.000 1.091 416 D CA -2.167 51.830 54.000 -0.005 0.000 0.840 416 D CB 1.888 42.686 40.800 -0.003 0.000 1.060 416 D HN 0.139 nan 8.370 nan 0.000 0.502 417 P HA -0.043 nan 4.420 nan 0.000 0.230 417 P C 0.618 177.927 177.300 0.014 0.000 1.158 417 P CA 0.509 63.618 63.100 0.014 0.000 0.769 417 P CB 0.718 32.428 31.700 0.018 0.000 0.807 418 N N 0.130 118.837 118.700 0.011 0.000 2.387 418 N HA 0.008 4.730 4.740 -0.030 0.000 0.176 418 N C 1.052 176.568 175.510 0.010 0.000 1.022 418 N CA 0.343 53.399 53.050 0.010 0.000 0.883 418 N CB 0.121 38.613 38.487 0.008 0.000 1.019 418 N HN 0.357 nan 8.380 nan 0.000 0.435 419 R N 1.777 122.282 120.500 0.009 0.000 2.312 419 R HA 0.232 4.554 4.340 -0.030 0.000 0.311 419 R C 0.202 176.510 176.300 0.013 0.000 1.004 419 R CA -0.312 55.794 56.100 0.009 0.000 0.902 419 R CB 0.494 30.798 30.300 0.006 0.000 1.073 419 R HN 0.150 nan 8.270 nan 0.000 0.457 420 E N 1.025 121.234 120.200 0.015 0.000 2.476 420 E HA -0.001 4.331 4.350 -0.030 0.000 0.191 420 E C -0.366 176.248 176.600 0.024 0.000 1.064 420 E CA -0.115 56.297 56.400 0.020 0.000 0.866 420 E CB 0.293 30.005 29.700 0.020 0.000 0.952 420 E HN 0.717 nan 8.360 nan 0.000 0.492 421 T N -1.086 113.481 114.554 0.022 0.000 2.929 421 T HA 0.213 4.545 4.350 -0.030 0.000 0.284 421 T C 0.001 174.717 174.700 0.028 0.000 1.014 421 T CA -1.058 61.057 62.100 0.026 0.000 1.051 421 T CB 1.609 70.490 68.868 0.022 0.000 1.028 421 T HN -0.099 nan 8.240 nan 0.000 0.485 422 D N 1.742 122.163 120.400 0.035 0.000 2.378 422 D HA 0.193 4.815 4.640 -0.030 0.000 0.238 422 D C 0.309 176.628 176.300 0.032 0.000 1.180 422 D CA 0.234 54.254 54.000 0.034 0.000 0.895 422 D CB 0.920 41.745 40.800 0.041 0.000 1.192 422 D HN 0.918 nan 8.370 nan 0.000 0.438 423 D N -2.576 117.838 120.400 0.022 0.000 2.530 423 D HA 0.042 4.664 4.640 -0.030 0.000 0.290 423 D C -0.565 175.742 176.300 0.012 0.000 1.398 423 D CA -0.175 53.838 54.000 0.022 0.000 0.848 423 D CB 0.118 40.924 40.800 0.010 0.000 1.279 423 D HN 0.114 nan 8.370 nan 0.000 0.483 424 T N 0.660 115.217 114.554 0.005 0.000 2.886 424 T HA 0.601 4.933 4.350 -0.030 0.000 0.292 424 T C -1.538 173.168 174.700 0.010 0.000 1.012 424 T CA -0.645 61.450 62.100 -0.008 0.000 0.982 424 T CB 2.282 71.121 68.868 -0.048 0.000 1.018 424 T HN 0.084 nan 8.240 nan 0.000 0.451 425 L N 3.498 124.730 121.223 0.015 0.000 2.376 425 L HA 0.719 5.041 4.340 -0.030 0.000 0.275 425 L C -1.250 175.656 176.870 0.060 0.000 0.987 425 L CA -0.590 54.266 54.840 0.027 0.000 0.828 425 L CB 1.583 43.637 42.059 -0.009 0.000 1.249 425 L HN 0.508 nan 8.230 nan 0.000 0.409 426 V N 5.987 125.980 119.914 0.131 0.000 2.394 426 V HA 0.512 4.614 4.120 -0.030 0.000 0.282 426 V C -0.202 176.040 176.094 0.247 0.000 1.031 426 V CA -0.527 61.900 62.300 0.212 0.000 0.881 426 V CB 1.429 33.421 31.823 0.281 0.000 0.982 426 V HN 0.539 nan 8.190 nan 0.000 0.451 427 L N 3.500 124.822 121.223 0.165 0.000 2.330 427 L HA 0.682 5.004 4.340 -0.030 0.000 0.271 427 L C 0.200 177.090 176.870 0.034 0.000 1.013 427 L CA 0.361 55.196 54.840 -0.009 0.000 0.816 427 L CB 2.056 44.060 42.059 -0.092 0.000 1.287 427 L HN 0.690 nan 8.230 nan 0.000 0.435 428 S N 0.665 116.237 115.700 -0.212 0.000 2.536 428 S HA 0.859 5.311 4.470 -0.030 0.000 0.298 428 S C -1.168 173.117 174.600 -0.524 0.000 1.083 428 S CA -0.303 57.835 58.200 -0.102 0.000 0.995 428 S CB 0.570 63.871 63.200 0.168 0.000 1.058 428 S HN 0.272 nan 8.310 nan 0.000 0.488 429 F N 0.943 120.928 119.950 0.059 0.000 2.650 429 F HA 0.470 4.979 4.527 -0.030 0.000 0.320 429 F C -0.226 175.612 175.800 0.064 0.000 1.091 429 F CA -1.101 56.927 58.000 0.045 0.000 0.962 429 F CB 1.015 40.038 39.000 0.038 0.000 1.363 429 F HN 0.200 nan 8.300 nan 0.000 0.482 430 V N 2.192 122.269 119.914 0.271 0.000 2.486 430 V HA 0.238 4.340 4.120 -0.030 0.000 0.290 430 V C 0.977 177.166 176.094 0.159 0.000 0.991 430 V CA 1.243 63.655 62.300 0.186 0.000 1.142 430 V CB -0.400 31.515 31.823 0.154 0.000 0.926 430 V HN 1.092 nan 8.190 nan 0.000 0.472 431 G N 3.704 112.585 108.800 0.134 0.000 2.175 431 G HA2 -0.251 3.691 3.960 -0.030 0.000 0.265 431 G HA3 -0.251 3.691 3.960 -0.030 0.000 0.265 431 G C 0.082 175.026 174.900 0.074 0.000 0.979 431 G CA 0.760 45.913 45.100 0.088 0.000 0.663 431 G HN 1.069 nan 8.290 nan 0.000 0.533 432 Q N -2.246 117.628 119.800 0.122 0.000 2.648 432 Q HA 0.768 5.090 4.340 -0.030 0.000 0.300 432 Q C -1.243 174.881 176.000 0.207 0.000 0.954 432 Q CA -0.871 55.008 55.803 0.126 0.000 0.757 432 Q CB 1.314 30.113 28.738 0.102 0.000 1.482 432 Q HN 0.216 nan 8.270 nan 0.000 0.437 433 T N 0.973 115.639 114.554 0.187 0.000 2.971 433 T HA 0.581 4.913 4.350 -0.030 0.000 0.304 433 T C -1.245 173.593 174.700 0.229 0.000 1.038 433 T CA -0.885 61.345 62.100 0.217 0.000 1.007 433 T CB 1.199 70.132 68.868 0.109 0.000 1.055 433 T HN 0.366 nan 8.240 nan 0.000 0.451 434 R N 1.807 122.485 120.500 0.297 0.000 2.599 434 R HA 0.689 5.012 4.340 -0.030 0.000 0.295 434 R C -0.983 175.426 176.300 0.182 0.000 0.963 434 R CA -0.761 55.478 56.100 0.231 0.000 0.883 434 R CB 1.923 32.398 30.300 0.292 0.000 1.171 434 R HN 0.435 nan 8.270 nan 0.000 0.450 435 V N 4.420 124.404 119.914 0.116 0.000 2.427 435 V HA 0.500 4.602 4.120 -0.030 0.000 0.286 435 V C 0.197 176.321 176.094 0.049 0.000 1.034 435 V CA -0.744 61.596 62.300 0.067 0.000 0.893 435 V CB 1.541 33.364 31.823 0.000 0.000 0.982 435 V HN 0.464 nan 8.190 nan 0.000 0.452 436 L N 5.694 126.940 121.223 0.039 0.000 2.356 436 L HA 0.658 4.981 4.340 -0.030 0.000 0.277 436 L C -0.140 176.738 176.870 0.014 0.000 0.996 436 L CA -0.572 54.286 54.840 0.031 0.000 0.822 436 L CB 1.799 43.882 42.059 0.039 0.000 1.256 436 L HN 0.736 nan 8.230 nan 0.000 0.413 437 M N 2.930 122.537 119.600 0.012 0.000 2.409 437 M HA 0.657 5.119 4.480 -0.030 0.000 0.329 437 M C -1.399 174.919 176.300 0.030 0.000 1.180 437 M CA -0.352 54.953 55.300 0.009 0.000 1.053 437 M CB 1.597 34.195 32.600 -0.002 0.000 1.586 437 M HN 0.445 nan 8.290 nan 0.000 0.461 438 L N 3.339 124.584 121.223 0.037 0.000 2.353 438 L HA 0.469 4.791 4.340 -0.030 0.000 0.270 438 L C -0.834 176.065 176.870 0.049 0.000 1.003 438 L CA -0.468 54.414 54.840 0.070 0.000 0.862 438 L CB 0.827 42.947 42.059 0.101 0.000 1.221 438 L HN 0.744 nan 8.230 nan 0.000 0.430 439 N N 3.292 122.018 118.700 0.042 0.000 2.558 439 N HA 0.370 5.092 4.740 -0.030 0.000 0.242 439 N C 0.691 176.202 175.510 0.002 0.000 0.979 439 N CA 0.423 53.483 53.050 0.017 0.000 0.931 439 N CB 2.198 40.691 38.487 0.011 0.000 1.122 439 N HN 0.854 nan 8.380 nan 0.000 0.508 440 G N 2.691 111.476 108.800 -0.024 0.000 2.622 440 G HA2 -0.391 3.551 3.960 -0.030 0.000 0.307 440 G HA3 -0.391 3.551 3.960 -0.030 0.000 0.307 440 G C 0.719 175.543 174.900 -0.128 0.000 1.226 440 G CA 0.594 45.647 45.100 -0.078 0.000 0.997 440 G HN 0.577 nan 8.290 nan 0.000 0.551 441 E N 0.698 120.817 120.200 -0.135 0.000 2.427 441 E HA 0.122 4.455 4.350 -0.030 0.000 0.196 441 E C 0.864 177.510 176.600 0.077 0.000 1.028 441 E CA 0.610 56.920 56.400 -0.149 0.000 0.864 441 E CB 0.077 29.712 29.700 -0.108 0.000 0.813 441 E HN 0.367 nan 8.360 nan 0.000 0.514 442 E N -0.108 120.130 120.200 0.065 0.000 2.331 442 E HA 0.191 4.524 4.350 -0.030 0.000 0.272 442 E C -1.443 175.224 176.600 0.111 0.000 1.036 442 E CA -0.344 56.107 56.400 0.084 0.000 0.864 442 E CB 1.510 31.236 29.700 0.044 0.000 1.035 442 E HN -0.142 nan 8.360 nan 0.000 0.408 443 V N 3.814 123.785 119.914 0.095 0.000 2.524 443 V HA 0.502 4.604 4.120 -0.030 0.000 0.297 443 V C -0.526 175.596 176.094 0.048 0.000 1.035 443 V CA -0.738 61.606 62.300 0.073 0.000 0.867 443 V CB 1.505 33.365 31.823 0.062 0.000 1.004 443 V HN 0.742 nan 8.190 nan 0.000 0.426 444 E N 2.133 122.355 120.200 0.038 0.000 2.390 444 E HA 0.439 4.771 4.350 -0.030 0.000 0.277 444 E C -0.842 175.773 176.600 0.026 0.000 0.939 444 E CA -0.736 55.682 56.400 0.030 0.000 0.769 444 E CB 2.268 31.982 29.700 0.024 0.000 1.251 444 E HN 0.759 nan 8.360 nan 0.000 0.450 445 E N 0.748 120.963 120.200 0.026 0.000 2.437 445 E HA 0.148 4.480 4.350 -0.030 0.000 0.263 445 E C -1.004 175.604 176.600 0.014 0.000 1.030 445 E CA 0.832 57.247 56.400 0.025 0.000 0.934 445 E CB 0.669 30.383 29.700 0.023 0.000 0.943 445 E HN 0.450 nan 8.360 nan 0.000 0.444 446 T N 2.984 117.544 114.554 0.010 0.000 2.821 446 T HA 0.229 4.561 4.350 -0.030 0.000 0.306 446 T C -1.267 173.429 174.700 -0.007 0.000 1.313 446 T CA -1.018 61.080 62.100 -0.004 0.000 1.012 446 T CB 1.402 70.260 68.868 -0.017 0.000 1.298 446 T HN 0.315 nan 8.240 nan 0.000 0.502 447 E N 0.842 121.034 120.200 -0.013 0.000 2.277 447 E HA 0.552 4.884 4.350 -0.030 0.000 0.274 447 E C -1.068 175.506 176.600 -0.045 0.000 1.022 447 E CA -0.761 55.632 56.400 -0.012 0.000 0.853 447 E CB 1.969 31.667 29.700 -0.003 0.000 1.086 447 E HN 0.340 nan 8.360 nan 0.000 0.397 448 L N 3.452 124.644 121.223 -0.053 0.000 2.415 448 L HA 0.265 4.587 4.340 -0.030 0.000 0.268 448 L C -0.795 176.055 176.870 -0.034 0.000 0.984 448 L CA -0.461 54.303 54.840 -0.127 0.000 0.853 448 L CB 1.312 43.151 42.059 -0.366 0.000 1.215 448 L HN 0.410 nan 8.230 nan 0.000 0.419 449 M N 4.103 123.693 119.600 -0.017 0.000 2.356 449 M HA 0.304 4.766 4.480 -0.030 0.000 0.348 449 M C 1.240 177.591 176.300 0.084 0.000 1.595 449 M CA 1.339 56.658 55.300 0.031 0.000 1.095 449 M CB -0.369 32.239 32.600 0.015 0.000 1.963 449 M HN 0.882 nan 8.290 nan 0.000 0.459 450 G N 4.153 113.032 108.800 0.132 0.000 2.391 450 G HA2 -0.204 3.738 3.960 -0.030 0.000 0.204 450 G HA3 -0.204 3.738 3.960 -0.030 0.000 0.204 450 G C -0.199 174.870 174.900 0.281 0.000 1.012 450 G CA -0.667 44.548 45.100 0.193 0.000 0.651 450 G HN 0.499 nan 8.290 nan 0.000 0.494 451 F N 2.271 122.206 119.950 -0.024 0.000 2.394 451 F HA 0.606 5.115 4.527 -0.030 0.000 0.340 451 F C 1.061 176.844 175.800 -0.030 0.000 1.105 451 F CA -1.069 56.910 58.000 -0.036 0.000 1.124 451 F CB 1.599 40.575 39.000 -0.040 0.000 1.145 451 F HN 0.344 nan 8.300 nan 0.000 0.505 452 V N 0.448 120.398 119.914 0.061 0.000 2.785 452 V HA 0.425 4.527 4.120 -0.030 0.000 0.300 452 V C 0.258 176.381 176.094 0.049 0.000 1.062 452 V CA -0.612 61.706 62.300 0.031 0.000 1.029 452 V CB 1.699 33.507 31.823 -0.025 0.000 1.024 452 V HN 0.801 nan 8.190 nan 0.000 0.477 453 D N 0.451 120.877 120.400 0.043 0.000 2.469 453 D HA 0.021 4.643 4.640 -0.030 0.000 0.213 453 D C 0.456 176.778 176.300 0.036 0.000 1.135 453 D CA 0.556 54.589 54.000 0.054 0.000 0.834 453 D CB 0.255 41.089 40.800 0.057 0.000 1.009 453 D HN 0.807 nan 8.370 nan 0.000 0.507 454 D N -0.139 120.270 120.400 0.014 0.000 2.479 454 D HA 0.035 4.657 4.640 -0.030 0.000 0.218 454 D C 0.056 176.352 176.300 -0.007 0.000 1.177 454 D CA -0.091 53.913 54.000 0.007 0.000 0.830 454 D CB 0.480 41.281 40.800 0.002 0.000 1.014 454 D HN -0.027 nan 8.370 nan 0.000 0.503 455 Q N 0.551 120.335 119.800 -0.027 0.000 2.399 455 Q HA 0.303 4.625 4.340 -0.030 0.000 0.276 455 Q C -0.638 175.316 176.000 -0.077 0.000 1.098 455 Q CA -0.665 55.100 55.803 -0.063 0.000 0.827 455 Q CB 2.345 31.017 28.738 -0.111 0.000 1.386 455 Q HN 0.182 nan 8.270 nan 0.000 0.443 456 Q N 0.607 120.340 119.800 -0.112 0.000 2.304 456 Q HA 0.233 4.555 4.340 -0.030 0.000 0.260 456 Q C -0.822 174.975 176.000 -0.338 0.000 0.965 456 Q CA 0.167 55.903 55.803 -0.112 0.000 0.898 456 Q CB 0.776 29.512 28.738 -0.004 0.000 1.196 456 Q HN 0.437 nan 8.270 nan 0.000 0.402 457 T N 4.790 119.226 114.554 -0.197 0.000 2.856 457 T HA 0.218 4.550 4.350 -0.030 0.000 0.292 457 T C -0.033 174.600 174.700 -0.112 0.000 0.980 457 T CA -0.343 61.555 62.100 -0.335 0.000 1.091 457 T CB 0.379 69.004 68.868 -0.406 0.000 0.936 457 T HN 0.456 nan 8.240 nan 0.000 0.503 458 F N 1.096 120.977 119.950 -0.115 0.000 2.653 458 F HA 0.490 4.999 4.527 -0.030 0.000 0.288 458 F C 0.200 176.042 175.800 0.069 0.000 1.121 458 F CA -0.869 57.187 58.000 0.092 0.000 1.384 458 F CB 0.112 39.188 39.000 0.126 0.000 1.115 458 F HN 0.484 nan 8.300 nan 0.000 0.599 459 F N 0.481 120.208 119.950 -0.372 0.000 2.650 459 F HA 0.501 5.010 4.527 -0.030 0.000 0.310 459 F C -1.104 174.202 175.800 -0.823 0.000 1.112 459 F CA -1.677 55.901 58.000 -0.705 0.000 0.986 459 F CB 1.100 40.006 39.000 -0.156 0.000 1.285 459 F HN 0.007 nan 8.300 nan 0.000 0.440 460 C N 2.536 120.655 119.300 -1.969 0.000 3.173 460 C HA 1.098 5.540 4.460 -0.030 0.000 0.310 460 C C -0.267 174.061 174.990 -1.105 0.000 1.306 460 C CA -0.095 58.234 59.018 -1.148 0.000 1.426 460 C CB 1.246 28.631 27.740 -0.592 0.000 1.800 460 C HN 1.800 nan 8.230 nan 0.000 0.470 461 G N 1.578 110.142 108.800 -0.393 0.000 2.327 461 G HA2 0.412 4.354 3.960 -0.030 0.000 0.291 461 G HA3 0.412 4.354 3.960 -0.030 0.000 0.291 461 G C -2.129 172.815 174.900 0.073 0.000 1.290 461 G CA -0.984 44.045 45.100 -0.117 0.000 0.857 461 G HN 0.971 nan 8.290 nan 0.000 0.520 462 N N -0.393 118.368 118.700 0.102 0.000 2.514 462 N HA 0.578 5.301 4.740 -0.030 0.000 0.277 462 N C 0.450 176.029 175.510 0.115 0.000 1.126 462 N CA 0.104 53.214 53.050 0.100 0.000 0.978 462 N CB 2.068 40.599 38.487 0.074 0.000 1.106 462 N HN 0.900 nan 8.380 nan 0.000 0.461 463 V N -1.345 118.621 119.914 0.088 0.000 3.145 463 V HA 0.912 5.014 4.120 -0.030 0.000 0.311 463 V C 0.143 176.238 176.094 0.002 0.000 1.238 463 V CA -1.422 60.915 62.300 0.061 0.000 1.066 463 V CB 0.863 32.732 31.823 0.077 0.000 1.144 463 V HN 0.660 nan 8.190 nan 0.000 0.465 464 A N -0.713 122.067 122.820 -0.066 0.000 2.448 464 A HA 0.505 4.807 4.320 -0.030 0.000 0.239 464 A C 0.535 178.021 177.584 -0.163 0.000 1.080 464 A CA 0.814 52.704 52.037 -0.244 0.000 0.779 464 A CB -1.149 17.576 19.000 -0.458 0.000 1.026 464 A HN 1.945 nan 8.150 nan 0.000 0.499 465 H N -1.274 117.805 119.070 0.016 0.000 2.819 465 H HA -0.108 4.430 4.556 -0.030 0.000 0.315 465 H C -0.096 175.249 175.328 0.029 0.000 1.242 465 H CA 0.621 56.683 56.048 0.024 0.000 1.157 465 H CB -2.186 27.592 29.762 0.028 0.000 1.451 465 H HN 0.823 nan 8.280 nan 0.000 0.430 466 Q N -1.274 118.575 119.800 0.082 0.000 2.453 466 Q HA -0.215 4.107 4.340 -0.030 0.000 0.330 466 Q C -0.361 175.684 176.000 0.075 0.000 1.417 466 Q CA 1.590 57.433 55.803 0.067 0.000 0.902 466 Q CB -0.770 28.006 28.738 0.063 0.000 1.154 466 Q HN 0.823 nan 8.270 nan 0.000 0.395 467 Q N -0.736 119.110 119.800 0.077 0.000 2.495 467 Q HA 0.766 5.088 4.340 -0.030 0.000 0.287 467 Q C -1.114 174.942 176.000 0.094 0.000 1.078 467 Q CA -1.214 54.642 55.803 0.088 0.000 0.793 467 Q CB 1.614 30.414 28.738 0.103 0.000 1.459 467 Q HN 0.139 nan 8.270 nan 0.000 0.422 468 L N 1.172 122.468 121.223 0.123 0.000 2.333 468 L HA 0.632 4.954 4.340 -0.030 0.000 0.269 468 L C -0.956 176.015 176.870 0.167 0.000 1.010 468 L CA -0.447 54.497 54.840 0.174 0.000 0.818 468 L CB 1.870 44.078 42.059 0.248 0.000 1.306 468 L HN 0.606 nan 8.230 nan 0.000 0.430 469 I N 1.371 122.020 120.570 0.131 0.000 2.647 469 I HA 0.445 4.597 4.170 -0.030 0.000 0.295 469 I C -1.133 174.849 176.117 -0.225 0.000 1.078 469 I CA -0.295 61.009 61.300 0.007 0.000 1.048 469 I CB 1.773 39.824 38.000 0.085 0.000 1.239 469 I HN 0.624 nan 8.210 nan 0.000 0.421 470 Q N 7.618 127.161 119.800 -0.429 0.000 2.292 470 Q HA 0.533 4.855 4.340 -0.030 0.000 0.270 470 Q C -1.877 173.911 176.000 -0.354 0.000 1.024 470 Q CA -0.681 54.729 55.803 -0.655 0.000 0.768 470 Q CB 2.007 29.972 28.738 -1.287 0.000 1.250 470 Q HN 0.637 nan 8.270 nan 0.000 0.447 471 I N 3.750 124.159 120.570 -0.269 0.000 2.355 471 I HA 0.313 4.465 4.170 -0.030 0.000 0.288 471 I C 0.475 176.438 176.117 -0.257 0.000 0.999 471 I CA -0.401 60.818 61.300 -0.136 0.000 1.163 471 I CB 1.703 39.730 38.000 0.046 0.000 1.316 471 I HN 0.643 nan 8.210 nan 0.000 0.454 472 T N 0.481 114.869 114.554 -0.277 0.000 2.870 472 T HA 0.263 4.595 4.350 -0.030 0.000 0.277 472 T C 1.168 175.575 174.700 -0.488 0.000 1.000 472 T CA -0.117 61.713 62.100 -0.450 0.000 0.982 472 T CB 1.476 70.162 68.868 -0.302 0.000 1.249 472 T HN 0.532 nan 8.240 nan 0.000 0.589 473 S N -0.277 115.084 115.700 -0.566 0.000 2.453 473 S HA 0.087 4.539 4.470 -0.030 0.000 0.231 473 S C 2.147 176.716 174.600 -0.052 0.000 1.005 473 S CA 0.438 58.503 58.200 -0.225 0.000 0.949 473 S CB -0.903 62.232 63.200 -0.108 0.000 0.774 473 S HN 0.975 nan 8.310 nan 0.000 0.510 474 A N 1.476 124.239 122.820 -0.095 0.000 1.911 474 A HA 0.483 4.785 4.320 -0.030 0.000 0.212 474 A C 1.348 178.905 177.584 -0.044 0.000 1.189 474 A CA 0.806 52.808 52.037 -0.059 0.000 0.639 474 A CB -0.204 18.752 19.000 -0.072 0.000 0.839 474 A HN 0.897 nan 8.150 nan 0.000 0.449 475 S N -2.716 112.963 115.700 -0.035 0.000 2.661 475 S HA 0.480 4.932 4.470 -0.030 0.000 0.268 475 S C -1.192 173.442 174.600 0.057 0.000 1.162 475 S CA 0.012 58.228 58.200 0.026 0.000 0.817 475 S CB 0.950 64.136 63.200 -0.023 0.000 1.141 475 S HN 1.302 nan 8.310 nan 0.000 0.477 476 V N 1.213 121.219 119.914 0.152 0.000 2.417 476 V HA 0.751 4.853 4.120 -0.030 0.000 0.291 476 V C -1.030 175.091 176.094 0.046 0.000 1.024 476 V CA -0.536 61.814 62.300 0.083 0.000 0.861 476 V CB 1.039 32.929 31.823 0.113 0.000 0.985 476 V HN 0.916 nan 8.190 nan 0.000 0.436 477 R N 5.662 126.132 120.500 -0.050 0.000 2.437 477 R HA 0.606 4.928 4.340 -0.030 0.000 0.310 477 R C -1.292 174.982 176.300 -0.044 0.000 0.955 477 R CA -0.773 55.292 56.100 -0.057 0.000 0.851 477 R CB 2.007 32.229 30.300 -0.131 0.000 1.161 477 R HN 0.663 nan 8.270 nan 0.000 0.446 478 L N 3.391 124.624 121.223 0.016 0.000 2.307 478 L HA 0.486 4.808 4.340 -0.030 0.000 0.282 478 L C -0.998 175.912 176.870 0.066 0.000 1.051 478 L CA -0.479 54.388 54.840 0.045 0.000 0.804 478 L CB 1.961 44.056 42.059 0.061 0.000 1.197 478 L HN 0.359 nan 8.230 nan 0.000 0.431 479 V N 3.570 123.546 119.914 0.102 0.000 2.623 479 V HA 0.474 4.576 4.120 -0.030 0.000 0.304 479 V C -0.169 175.989 176.094 0.107 0.000 1.054 479 V CA -0.689 61.688 62.300 0.128 0.000 0.882 479 V CB 1.957 33.924 31.823 0.240 0.000 1.002 479 V HN 0.903 nan 8.190 nan 0.000 0.424 480 S N 3.163 118.910 115.700 0.079 0.000 2.593 480 S HA 0.296 4.748 4.470 -0.030 0.000 0.269 480 S C 0.515 175.146 174.600 0.053 0.000 1.334 480 S CA -0.062 58.177 58.200 0.064 0.000 1.015 480 S CB 1.965 65.195 63.200 0.049 0.000 0.912 480 S HN 0.712 nan 8.310 nan 0.000 0.541 481 Q N 0.740 120.566 119.800 0.044 0.000 2.141 481 Q HA -0.022 4.300 4.340 -0.030 0.000 0.194 481 Q C 2.247 178.258 176.000 0.018 0.000 0.975 481 Q CA 1.163 56.983 55.803 0.028 0.000 0.834 481 Q CB -0.206 28.551 28.738 0.031 0.000 0.916 481 Q HN 0.893 nan 8.270 nan 0.000 0.484 482 E N 0.449 120.662 120.200 0.022 0.000 2.031 482 E HA -0.133 4.199 4.350 -0.030 0.000 0.193 482 E C -0.693 175.915 176.600 0.012 0.000 0.994 482 E CA 1.452 57.862 56.400 0.016 0.000 0.800 482 E CB -1.932 27.779 29.700 0.018 0.000 0.752 482 E HN 0.472 nan 8.360 nan 0.000 0.447 483 P HA 0.097 nan 4.420 nan 0.000 0.230 483 P C -0.375 176.932 177.300 0.012 0.000 1.168 483 P CA 0.354 63.461 63.100 0.013 0.000 0.793 483 P CB 0.244 31.953 31.700 0.015 0.000 0.851 484 K N -0.489 119.921 120.400 0.017 0.000 4.215 484 K HA 0.044 4.346 4.320 -0.030 0.000 0.318 484 K C -1.018 175.598 176.600 0.027 0.000 1.077 484 K CA 0.700 56.997 56.287 0.017 0.000 0.979 484 K CB -1.763 30.736 32.500 -0.003 0.000 1.497 484 K HN 0.448 nan 8.250 nan 0.000 0.436 485 A N 1.650 124.495 122.820 0.041 0.000 2.594 485 A HA 0.727 5.029 4.320 -0.030 0.000 0.291 485 A C -1.283 176.336 177.584 0.059 0.000 1.105 485 A CA -0.785 51.279 52.037 0.045 0.000 0.694 485 A CB 1.075 20.094 19.000 0.031 0.000 1.291 485 A HN 0.581 nan 8.150 nan 0.000 0.410 486 L N 2.196 123.453 121.223 0.056 0.000 2.530 486 L HA 0.307 4.629 4.340 -0.030 0.000 0.273 486 L C 1.065 177.959 176.870 0.040 0.000 1.141 486 L CA 0.714 55.585 54.840 0.051 0.000 0.905 486 L CB 0.537 42.619 42.059 0.038 0.000 1.202 486 L HN 0.846 nan 8.230 nan 0.000 0.473 487 V N 1.149 121.090 119.914 0.045 0.000 2.949 487 V HA 0.354 4.456 4.120 -0.030 0.000 0.245 487 V C 0.868 176.985 176.094 0.038 0.000 1.086 487 V CA 0.741 63.065 62.300 0.040 0.000 1.097 487 V CB -0.052 31.798 31.823 0.046 0.000 0.762 487 V HN 0.736 nan 8.190 nan 0.000 0.470 488 S N -0.519 115.208 115.700 0.044 0.000 2.537 488 S HA 0.602 5.054 4.470 -0.030 0.000 0.270 488 S C -1.444 173.187 174.600 0.053 0.000 1.142 488 S CA -0.521 57.709 58.200 0.050 0.000 0.870 488 S CB 2.113 65.353 63.200 0.065 0.000 1.112 488 S HN 0.656 nan 8.310 nan 0.000 0.466 489 E N 2.411 122.646 120.200 0.058 0.000 2.274 489 E HA 0.347 4.679 4.350 -0.030 0.000 0.269 489 E C -1.988 174.670 176.600 0.096 0.000 0.891 489 E CA -0.528 55.908 56.400 0.060 0.000 0.784 489 E CB 1.018 30.723 29.700 0.008 0.000 1.225 489 E HN 0.626 nan 8.360 nan 0.000 0.412 490 W N 5.511 126.779 121.300 -0.053 0.000 2.433 490 W HA 0.456 5.098 4.660 -0.030 0.000 0.315 490 W C -1.006 175.458 176.519 -0.092 0.000 1.087 490 W CA -0.348 56.955 57.345 -0.071 0.000 1.205 490 W CB 0.892 30.314 29.460 -0.065 0.000 1.288 490 W HN 0.331 nan 8.180 nan 0.000 0.504 491 K N 4.014 123.884 120.400 -0.885 0.000 2.426 491 K HA 0.164 4.466 4.320 -0.030 0.000 0.251 491 K C -0.523 175.146 176.600 -1.552 0.000 0.941 491 K CA -1.186 54.551 56.287 -0.917 0.000 0.808 491 K CB 2.083 34.311 32.500 -0.454 0.000 1.265 491 K HN 0.352 nan 8.250 nan 0.000 0.432 492 E N 3.790 123.253 120.200 -1.228 0.000 2.452 492 E HA -0.011 4.321 4.350 -0.030 0.000 0.261 492 E C -1.561 174.717 176.600 -0.538 0.000 0.987 492 E CA -1.259 54.602 56.400 -0.899 0.000 0.926 492 E CB 0.710 30.195 29.700 -0.359 0.000 0.934 492 E HN 0.293 nan 8.360 nan 0.000 0.452 493 P HA -0.172 nan 4.420 nan 0.000 0.221 493 P C 0.266 177.467 177.300 -0.165 0.000 1.141 493 P CA 1.396 64.350 63.100 -0.244 0.000 0.794 493 P CB 0.281 31.898 31.700 -0.137 0.000 0.764 494 Q N -2.071 117.645 119.800 -0.139 0.000 2.159 494 Q HA 0.484 4.806 4.340 -0.030 0.000 0.217 494 Q C 0.707 176.649 176.000 -0.096 0.000 0.818 494 Q CA 0.206 55.954 55.803 -0.092 0.000 1.008 494 Q CB 0.381 29.090 28.738 -0.048 0.000 1.148 494 Q HN 0.076 nan 8.270 nan 0.000 0.491 495 A N 0.762 123.495 122.820 -0.146 0.000 2.847 495 A HA -0.260 4.042 4.320 -0.030 0.000 0.263 495 A C -0.025 177.510 177.584 -0.080 0.000 1.391 495 A CA 0.927 52.884 52.037 -0.133 0.000 0.866 495 A CB -1.730 17.207 19.000 -0.106 0.000 1.057 495 A HN 0.302 nan 8.150 nan 0.000 0.673 496 K N 0.161 120.527 120.400 -0.057 0.000 2.319 496 K HA 0.189 4.491 4.320 -0.030 0.000 0.265 496 K C 0.278 176.889 176.600 0.018 0.000 1.000 496 K CA 0.043 56.328 56.287 -0.004 0.000 0.943 496 K CB 0.210 32.727 32.500 0.029 0.000 0.950 496 K HN 0.621 nan 8.250 nan 0.000 0.485 497 N N 1.299 120.029 118.700 0.051 0.000 2.492 497 N HA 0.055 4.777 4.740 -0.030 0.000 0.262 497 N C -0.246 175.359 175.510 0.160 0.000 1.202 497 N CA -0.224 52.881 53.050 0.092 0.000 0.926 497 N CB 0.452 39.002 38.487 0.105 0.000 1.078 497 N HN 0.312 nan 8.380 nan 0.000 0.454 498 I N 1.569 122.265 120.570 0.211 0.000 2.618 498 I HA -0.090 4.063 4.170 -0.030 0.000 0.284 498 I C 1.421 177.775 176.117 0.394 0.000 1.146 498 I CA 0.161 61.647 61.300 0.310 0.000 1.425 498 I CB 0.813 39.018 38.000 0.343 0.000 1.383 498 I HN 0.714 nan 8.210 nan 0.000 0.562 499 S N 4.909 120.779 115.700 0.284 0.000 2.506 499 S HA 0.199 4.651 4.470 -0.030 0.000 0.230 499 S C 0.435 175.033 174.600 -0.004 0.000 1.066 499 S CA -0.159 58.149 58.200 0.180 0.000 0.940 499 S CB 0.311 63.590 63.200 0.132 0.000 0.818 499 S HN 0.374 nan 8.310 nan 0.000 0.518 500 V N 1.202 121.155 119.914 0.066 0.000 2.876 500 V HA 0.877 4.979 4.120 -0.030 0.000 0.312 500 V C -0.518 175.643 176.094 0.111 0.000 1.085 500 V CA -0.539 61.760 62.300 -0.002 0.000 0.945 500 V CB 1.508 33.360 31.823 0.047 0.000 1.017 500 V HN 0.658 nan 8.190 nan 0.000 0.428 501 A N 2.326 125.210 122.820 0.106 0.000 2.449 501 A HA 0.967 5.269 4.320 -0.030 0.000 0.302 501 A C -0.483 177.150 177.584 0.082 0.000 1.048 501 A CA -0.292 51.837 52.037 0.154 0.000 0.708 501 A CB 2.054 21.224 19.000 0.284 0.000 1.274 501 A HN 1.324 nan 8.150 nan 0.000 0.410 502 S N -0.348 115.360 115.700 0.013 0.000 2.546 502 S HA 0.781 5.233 4.470 -0.030 0.000 0.274 502 S C -0.924 173.563 174.600 -0.188 0.000 1.121 502 S CA -0.704 57.443 58.200 -0.088 0.000 0.887 502 S CB 1.232 64.408 63.200 -0.040 0.000 1.094 502 S HN 2.001 nan 8.310 nan 0.000 0.474 503 C N 3.119 122.177 119.300 -0.404 0.000 3.006 503 C HA 0.785 5.227 4.460 -0.030 0.000 0.359 503 C C -0.952 173.783 174.990 -0.425 0.000 1.103 503 C CA -0.318 58.435 59.018 -0.441 0.000 1.286 503 C CB 0.483 27.841 27.740 -0.637 0.000 1.694 503 C HN 1.240 nan 8.230 nan 0.000 0.511 504 N N 1.521 120.109 118.700 -0.187 0.000 3.100 504 N HA 0.455 5.177 4.740 -0.030 0.000 0.344 504 N C 0.903 176.399 175.510 -0.023 0.000 1.413 504 N CA 0.052 53.046 53.050 -0.094 0.000 0.752 504 N CB 0.530 38.981 38.487 -0.060 0.000 1.519 504 N HN 0.583 nan 8.380 nan 0.000 0.620 505 S N -1.298 114.404 115.700 0.002 0.000 2.400 505 S HA -0.176 4.276 4.470 -0.030 0.000 0.232 505 S C 1.177 175.761 174.600 -0.027 0.000 1.025 505 S CA 1.595 59.800 58.200 0.008 0.000 0.993 505 S CB -0.948 62.248 63.200 -0.007 0.000 0.808 505 S HN 0.792 nan 8.310 nan 0.000 0.478 506 S N -1.096 114.579 115.700 -0.042 0.000 2.733 506 S HA 0.398 4.850 4.470 -0.030 0.000 0.247 506 S C 0.038 174.612 174.600 -0.043 0.000 1.043 506 S CA -0.761 57.398 58.200 -0.069 0.000 1.066 506 S CB 0.119 63.261 63.200 -0.097 0.000 1.045 506 S HN 0.541 nan 8.310 nan 0.000 0.586 507 Q N 0.729 120.526 119.800 -0.006 0.000 2.397 507 Q HA 0.724 5.046 4.340 -0.030 0.000 0.275 507 Q C -1.774 174.243 176.000 0.028 0.000 1.090 507 Q CA -0.846 54.994 55.803 0.061 0.000 0.809 507 Q CB 2.864 31.681 28.738 0.131 0.000 1.362 507 Q HN 0.202 nan 8.270 nan 0.000 0.431 508 V N 1.918 121.869 119.914 0.062 0.000 2.531 508 V HA 0.491 4.593 4.120 -0.030 0.000 0.301 508 V C -0.848 175.308 176.094 0.103 0.000 1.034 508 V CA -0.739 61.570 62.300 0.016 0.000 0.865 508 V CB 1.980 33.770 31.823 -0.056 0.000 0.995 508 V HN 0.511 nan 8.190 nan 0.000 0.424 509 V N 5.551 125.509 119.914 0.073 0.000 2.444 509 V HA 0.649 4.751 4.120 -0.030 0.000 0.294 509 V C -0.323 175.824 176.094 0.089 0.000 1.022 509 V CA -0.547 61.828 62.300 0.126 0.000 0.850 509 V CB 1.988 33.887 31.823 0.127 0.000 0.992 509 V HN 0.765 nan 8.190 nan 0.000 0.426 510 V N 2.213 122.189 119.914 0.104 0.000 2.864 510 V HA 1.042 5.144 4.120 -0.030 0.000 0.314 510 V C -0.003 176.214 176.094 0.205 0.000 1.073 510 V CA -0.886 61.496 62.300 0.138 0.000 0.956 510 V CB 1.827 33.723 31.823 0.121 0.000 1.023 510 V HN 0.982 nan 8.190 nan 0.000 0.435 511 A N 2.683 125.623 122.820 0.200 0.000 2.325 511 A HA 0.881 5.183 4.320 -0.030 0.000 0.333 511 A C -0.588 177.148 177.584 0.254 0.000 1.155 511 A CA -0.704 51.451 52.037 0.197 0.000 0.814 511 A CB 1.715 20.794 19.000 0.133 0.000 1.206 511 A HN 1.481 nan 8.150 nan 0.000 0.482 512 V N 2.930 123.005 119.914 0.269 0.000 2.385 512 V HA 0.555 4.657 4.120 -0.030 0.000 0.277 512 V C 1.102 177.293 176.094 0.161 0.000 1.012 512 V CA 0.397 62.846 62.300 0.248 0.000 0.832 512 V CB -0.113 31.913 31.823 0.338 0.000 1.028 512 V HN 1.959 nan 8.190 nan 0.000 0.436 513 G N 5.728 114.592 108.800 0.108 0.000 2.686 513 G HA2 -0.372 3.570 3.960 -0.030 0.000 0.329 513 G HA3 -0.372 3.570 3.960 -0.030 0.000 0.329 513 G C 0.984 175.911 174.900 0.045 0.000 1.187 513 G CA 1.283 46.412 45.100 0.048 0.000 0.965 513 G HN 0.605 nan 8.290 nan 0.000 0.549 514 R N 1.270 121.786 120.500 0.027 0.000 2.265 514 R HA 0.580 4.902 4.340 -0.030 0.000 0.194 514 R C 1.535 177.805 176.300 -0.049 0.000 0.931 514 R CA 0.574 56.671 56.100 -0.006 0.000 1.032 514 R CB 0.185 30.470 30.300 -0.026 0.000 0.980 514 R HN 0.717 nan 8.270 nan 0.000 0.497 515 A N 1.319 124.138 122.820 -0.001 0.000 2.407 515 A HA 0.370 4.672 4.320 -0.030 0.000 0.248 515 A C -0.688 176.828 177.584 -0.114 0.000 1.082 515 A CA -0.027 51.974 52.037 -0.059 0.000 0.785 515 A CB 0.403 19.507 19.000 0.173 0.000 1.020 515 A HN 0.084 nan 8.150 nan 0.000 0.489 516 L N 1.353 122.328 121.223 -0.413 0.000 2.436 516 L HA 0.609 4.931 4.340 -0.030 0.000 0.268 516 L C -1.553 175.038 176.870 -0.464 0.000 0.974 516 L CA -0.112 54.514 54.840 -0.357 0.000 0.826 516 L CB 1.707 43.432 42.059 -0.557 0.000 1.291 516 L HN 0.656 nan 8.230 nan 0.000 0.406 517 Y N 3.307 123.645 120.300 0.064 0.000 2.391 517 Y HA 0.414 4.946 4.550 -0.030 0.000 0.341 517 Y C -1.143 174.878 175.900 0.202 0.000 0.965 517 Y CA -0.499 57.678 58.100 0.129 0.000 1.067 517 Y CB 1.943 40.371 38.460 -0.054 0.000 1.199 517 Y HN 0.513 nan 8.280 nan 0.000 0.450 518 Y N 5.215 125.700 120.300 0.308 0.000 2.356 518 Y HA 0.698 5.230 4.550 -0.030 0.000 0.334 518 Y C -1.546 174.371 175.900 0.028 0.000 0.958 518 Y CA -0.948 57.249 58.100 0.162 0.000 1.196 518 Y CB 0.559 39.097 38.460 0.131 0.000 1.137 518 Y HN 0.503 nan 8.280 nan 0.000 0.485 519 L N 6.013 127.114 121.223 -0.202 0.000 2.334 519 L HA 0.525 4.847 4.340 -0.030 0.000 0.276 519 L C -0.686 175.986 176.870 -0.329 0.000 1.014 519 L CA -1.002 53.636 54.840 -0.337 0.000 0.815 519 L CB 2.056 43.919 42.059 -0.328 0.000 1.268 519 L HN 0.601 nan 8.230 nan 0.000 0.428 520 Q N 1.973 121.607 119.800 -0.276 0.000 2.235 520 Q HA 0.571 4.893 4.340 -0.030 0.000 0.256 520 Q C -1.002 174.948 176.000 -0.084 0.000 0.951 520 Q CA -0.679 55.026 55.803 -0.164 0.000 0.890 520 Q CB 2.880 31.560 28.738 -0.097 0.000 1.279 520 Q HN 0.489 nan 8.270 nan 0.000 0.444 521 I N 3.321 123.799 120.570 -0.154 0.000 2.312 521 I HA 0.220 4.372 4.170 -0.030 0.000 0.291 521 I C -0.010 176.007 176.117 -0.168 0.000 1.031 521 I CA -0.168 61.085 61.300 -0.077 0.000 1.293 521 I CB 0.203 38.191 38.000 -0.021 0.000 1.403 521 I HN 0.433 nan 8.210 nan 0.000 0.484 522 H N 5.984 125.115 119.070 0.101 0.000 2.812 522 H HA 0.410 4.948 4.556 -0.030 0.000 0.355 522 H C -2.419 172.889 175.328 -0.033 0.000 1.207 522 H CA -2.204 53.864 56.048 0.033 0.000 1.217 522 H CB 1.725 31.462 29.762 -0.041 0.000 1.874 522 H HN 0.183 nan 8.280 nan 0.000 0.581 523 P HA -0.016 nan 4.420 nan 0.000 0.258 523 P C -0.194 177.111 177.300 0.009 0.000 1.187 523 P CA 0.822 63.874 63.100 -0.080 0.000 0.767 523 P CB 0.242 31.840 31.700 -0.169 0.000 0.770 524 Q N -0.274 119.552 119.800 0.042 0.000 2.284 524 Q HA -0.271 4.051 4.340 -0.030 0.000 0.205 524 Q C 0.081 176.110 176.000 0.049 0.000 0.682 524 Q CA 2.161 57.989 55.803 0.042 0.000 1.401 524 Q CB -1.882 26.869 28.738 0.023 0.000 1.643 524 Q HN 0.760 nan 8.270 nan 0.000 0.717 525 E N -0.289 119.951 120.200 0.067 0.000 2.248 525 E HA 0.582 4.914 4.350 -0.030 0.000 0.267 525 E C -1.021 175.642 176.600 0.106 0.000 0.877 525 E CA -0.934 55.510 56.400 0.074 0.000 0.759 525 E CB 1.390 31.118 29.700 0.046 0.000 1.182 525 E HN 0.160 nan 8.360 nan 0.000 0.418 526 L N 3.551 124.831 121.223 0.096 0.000 2.259 526 L HA 0.402 4.724 4.340 -0.030 0.000 0.288 526 L C 0.293 177.213 176.870 0.084 0.000 1.051 526 L CA -0.481 54.411 54.840 0.087 0.000 0.824 526 L CB 0.720 42.837 42.059 0.096 0.000 1.206 526 L HN 0.512 nan 8.230 nan 0.000 0.429 527 R N 3.445 123.990 120.500 0.074 0.000 2.221 527 R HA 0.185 4.508 4.340 -0.030 0.000 0.327 527 R C -0.222 176.057 176.300 -0.034 0.000 1.033 527 R CA -0.516 55.609 56.100 0.042 0.000 0.887 527 R CB 0.840 31.174 30.300 0.056 0.000 1.057 527 R HN 0.541 nan 8.270 nan 0.000 0.455 528 Q N 5.546 125.356 119.800 0.016 0.000 2.307 528 Q HA 0.054 4.376 4.340 -0.030 0.000 0.261 528 Q C 0.645 176.645 176.000 -0.000 0.000 1.051 528 Q CA -0.313 55.499 55.803 0.015 0.000 0.911 528 Q CB 0.733 29.589 28.738 0.196 0.000 1.227 528 Q HN 0.680 nan 8.270 nan 0.000 0.418 529 I N 1.511 122.013 120.570 -0.114 0.000 2.270 529 I HA -0.022 4.131 4.170 -0.030 0.000 0.239 529 I C 1.006 177.175 176.117 0.085 0.000 1.080 529 I CA 0.976 62.213 61.300 -0.105 0.000 1.383 529 I CB -0.890 36.856 38.000 -0.423 0.000 1.097 529 I HN 0.667 nan 8.210 nan 0.000 0.420 530 S N -0.448 115.382 115.700 0.217 0.000 2.643 530 S HA 0.495 4.947 4.470 -0.030 0.000 0.270 530 S C -0.960 173.948 174.600 0.513 0.000 1.166 530 S CA -0.751 57.666 58.200 0.361 0.000 0.815 530 S CB 2.936 66.358 63.200 0.370 0.000 1.139 530 S HN 0.449 nan 8.310 nan 0.000 0.472 531 H N -0.135 119.084 119.070 0.248 0.000 2.996 531 H HA 0.708 5.246 4.556 -0.030 0.000 0.368 531 H C -1.748 173.410 175.328 -0.284 0.000 1.185 531 H CA -0.125 55.845 56.048 -0.131 0.000 1.160 531 H CB 2.127 31.757 29.762 -0.220 0.000 1.820 531 H HN 0.888 nan 8.280 nan 0.000 0.547 532 T N 2.009 115.729 114.554 -1.390 0.000 2.812 532 T HA 0.361 4.694 4.350 -0.030 0.000 0.294 532 T C -1.366 172.696 174.700 -1.064 0.000 1.159 532 T CA -0.594 60.850 62.100 -1.093 0.000 1.008 532 T CB 2.063 70.441 68.868 -0.817 0.000 1.289 532 T HN 0.683 nan 8.240 nan 0.000 0.514 533 E N 1.413 121.266 120.200 -0.579 0.000 2.210 533 E HA 0.516 4.848 4.350 -0.030 0.000 0.266 533 E C -0.564 175.880 176.600 -0.259 0.000 0.883 533 E CA -0.686 55.503 56.400 -0.352 0.000 0.761 533 E CB 1.069 30.651 29.700 -0.198 0.000 1.156 533 E HN 0.420 nan 8.360 nan 0.000 0.412 534 M N 2.181 121.659 119.600 -0.202 0.000 2.368 534 M HA 0.229 4.691 4.480 -0.030 0.000 0.311 534 M C 1.012 177.223 176.300 -0.149 0.000 1.168 534 M CA 0.169 55.381 55.300 -0.147 0.000 1.044 534 M CB 0.734 33.281 32.600 -0.088 0.000 1.506 534 M HN 0.630 nan 8.290 nan 0.000 0.475 535 E N 0.290 120.376 120.200 -0.189 0.000 2.118 535 E HA -0.147 4.185 4.350 -0.030 0.000 0.195 535 E C 0.023 176.270 176.600 -0.589 0.000 0.992 535 E CA 1.242 57.410 56.400 -0.387 0.000 0.804 535 E CB 0.169 29.601 29.700 -0.447 0.000 0.741 535 E HN 0.481 nan 8.360 nan 0.000 0.458 536 H N -0.818 118.259 119.070 0.012 0.000 2.906 536 H HA 0.273 4.811 4.556 -0.030 0.000 0.337 536 H C -0.642 174.715 175.328 0.049 0.000 1.257 536 H CA -0.949 55.121 56.048 0.037 0.000 1.192 536 H CB 0.669 30.479 29.762 0.080 0.000 1.912 536 H HN -0.120 nan 8.280 nan 0.000 0.573 537 E N 0.874 121.189 120.200 0.191 0.000 2.452 537 E HA 0.090 4.422 4.350 -0.030 0.000 0.261 537 E C -0.664 176.112 176.600 0.295 0.000 0.987 537 E CA -0.048 56.420 56.400 0.114 0.000 0.926 537 E CB 0.507 30.103 29.700 -0.173 0.000 0.934 537 E HN 0.206 nan 8.360 nan 0.000 0.452 538 V N 4.588 124.636 119.914 0.224 0.000 2.508 538 V HA 0.210 4.312 4.120 -0.030 0.000 0.281 538 V C 0.951 177.248 176.094 0.337 0.000 1.041 538 V CA 0.715 63.152 62.300 0.229 0.000 1.016 538 V CB 0.990 32.891 31.823 0.129 0.000 0.984 538 V HN 0.918 nan 8.190 nan 0.000 0.478 539 A N 4.213 127.181 122.820 0.246 0.000 1.942 539 A HA 0.278 4.581 4.320 -0.030 0.000 0.209 539 A C 0.919 178.543 177.584 0.067 0.000 1.214 539 A CA 1.011 53.121 52.037 0.122 0.000 0.686 539 A CB 0.098 19.003 19.000 -0.158 0.000 0.871 539 A HN 1.020 nan 8.150 nan 0.000 0.460 540 C N -2.703 116.632 119.300 0.058 0.000 3.285 540 C HA 0.822 5.264 4.460 -0.030 0.000 0.325 540 C C -1.032 173.992 174.990 0.056 0.000 1.304 540 C CA -1.288 57.760 59.018 0.050 0.000 1.319 540 C CB 0.467 28.231 27.740 0.040 0.000 1.640 540 C HN 0.359 nan 8.230 nan 0.000 0.477 541 L N 0.954 122.210 121.223 0.056 0.000 2.393 541 L HA 0.813 5.135 4.340 -0.030 0.000 0.260 541 L C -1.354 175.540 176.870 0.041 0.000 1.002 541 L CA -0.037 54.833 54.840 0.049 0.000 0.818 541 L CB 2.271 44.361 42.059 0.052 0.000 1.369 541 L HN 0.949 nan 8.230 nan 0.000 0.412 542 D N 0.959 121.373 120.400 0.024 0.000 2.886 542 D HA 0.465 5.087 4.640 -0.030 0.000 0.216 542 D C -0.618 175.669 176.300 -0.021 0.000 1.256 542 D CA -0.405 53.600 54.000 0.008 0.000 0.844 542 D CB 1.707 42.525 40.800 0.031 0.000 1.669 542 D HN 0.467 nan 8.370 nan 0.000 0.513 543 I N 0.086 120.628 120.570 -0.046 0.000 3.426 543 I HA 0.346 4.498 4.170 -0.030 0.000 0.329 543 I C -0.367 175.711 176.117 -0.066 0.000 1.553 543 I CA -0.558 60.701 61.300 -0.069 0.000 1.019 543 I CB 0.836 38.785 38.000 -0.086 0.000 1.376 543 I HN 0.084 nan 8.210 nan 0.000 0.525 544 T N 5.308 119.835 114.554 -0.045 0.000 2.829 544 T HA 0.179 4.511 4.350 -0.030 0.000 0.293 544 T C -2.236 172.433 174.700 -0.052 0.000 0.970 544 T CA -0.367 61.712 62.100 -0.036 0.000 1.168 544 T CB 0.036 68.896 68.868 -0.013 0.000 0.911 544 T HN 0.295 nan 8.240 nan 0.000 0.535 545 P HA 0.390 nan 4.420 nan 0.000 0.279 545 P C -0.849 176.411 177.300 -0.068 0.000 1.239 545 P CA -0.501 62.560 63.100 -0.065 0.000 0.789 545 P CB 0.793 32.462 31.700 -0.051 0.000 0.933 546 L N 2.251 123.407 121.223 -0.110 0.000 2.341 546 L HA 0.615 4.937 4.340 -0.030 0.000 0.278 546 L C 1.235 178.034 176.870 -0.119 0.000 1.005 546 L CA -0.433 54.327 54.840 -0.133 0.000 0.818 546 L CB 1.477 43.357 42.059 -0.299 0.000 1.259 546 L HN 0.719 nan 8.230 nan 0.000 0.418 547 G N 2.983 111.780 108.800 -0.003 0.000 2.564 547 G HA2 -0.287 3.655 3.960 -0.030 0.000 0.273 547 G HA3 -0.287 3.655 3.960 -0.030 0.000 0.273 547 G C -0.433 174.463 174.900 -0.006 0.000 1.242 547 G CA 0.330 45.444 45.100 0.023 0.000 0.951 547 G HN 0.866 nan 8.290 nan 0.000 0.564 552 L N 1.915 123.124 121.223 -0.023 0.000 2.281 552 L HA 0.686 5.008 4.340 -0.030 0.000 0.285 552 L C 0.857 177.703 176.870 -0.041 0.000 1.074 552 L CA -0.248 54.581 54.840 -0.019 0.000 0.817 552 L CB 1.575 43.635 42.059 0.002 0.000 1.168 552 L HN 0.511 nan 8.230 nan 0.000 0.434 553 S N 5.973 121.638 115.700 -0.059 0.000 2.489 553 S HA 0.454 4.906 4.470 -0.030 0.000 0.277 553 S C -1.716 172.803 174.600 -0.135 0.000 1.230 553 S CA -1.213 56.930 58.200 -0.095 0.000 1.053 553 S CB 0.914 64.053 63.200 -0.102 0.000 0.955 553 S HN 0.558 nan 8.310 nan 0.000 0.488 554 P HA 0.202 nan 4.420 nan 0.000 0.240 554 P C -0.463 176.721 177.300 -0.192 0.000 1.190 554 P CA 0.457 63.464 63.100 -0.155 0.000 0.781 554 P CB 0.102 31.734 31.700 -0.113 0.000 0.931 555 L N -0.995 120.125 121.223 -0.172 0.000 2.330 555 L HA 0.550 4.872 4.340 -0.030 0.000 0.271 555 L C -0.288 176.486 176.870 -0.159 0.000 1.013 555 L CA -1.099 53.647 54.840 -0.156 0.000 0.816 555 L CB 2.129 44.117 42.059 -0.118 0.000 1.287 555 L HN -0.189 nan 8.230 nan 0.000 0.435 556 C N 2.371 121.592 119.300 -0.132 0.000 2.442 556 C HA 0.789 5.231 4.460 -0.030 0.000 0.335 556 C C 0.315 175.283 174.990 -0.036 0.000 1.134 556 C CA -0.535 58.429 59.018 -0.090 0.000 1.344 556 C CB 0.145 27.827 27.740 -0.097 0.000 1.956 556 C HN 0.883 nan 8.230 nan 0.000 0.438 557 A N 6.096 128.903 122.820 -0.022 0.000 2.363 557 A HA 0.768 5.070 4.320 -0.030 0.000 0.270 557 A C -0.582 177.013 177.584 0.018 0.000 1.121 557 A CA -0.278 51.757 52.037 -0.003 0.000 0.800 557 A CB 0.399 19.404 19.000 0.009 0.000 1.052 557 A HN 1.166 nan 8.150 nan 0.000 0.493 558 I N 1.397 121.979 120.570 0.020 0.000 2.692 558 I HA 0.650 4.802 4.170 -0.030 0.000 0.293 558 I C -0.011 176.123 176.117 0.028 0.000 1.200 558 I CA -0.426 60.894 61.300 0.034 0.000 1.036 558 I CB 2.158 40.184 38.000 0.044 0.000 1.258 558 I HN 0.744 nan 8.210 nan 0.000 0.421 559 G N 7.387 116.209 108.800 0.036 0.000 2.452 559 G HA2 0.688 4.630 3.960 -0.030 0.000 0.324 559 G HA3 0.688 4.630 3.960 -0.030 0.000 0.324 559 G C -1.481 173.446 174.900 0.045 0.000 1.214 559 G CA -0.582 44.532 45.100 0.024 0.000 0.947 559 G HN 0.512 nan 8.290 nan 0.000 0.478 560 L N 0.837 122.089 121.223 0.049 0.000 2.342 560 L HA 0.488 4.810 4.340 -0.030 0.000 0.271 560 L C -0.161 176.766 176.870 0.095 0.000 1.008 560 L CA -1.027 53.888 54.840 0.125 0.000 0.818 560 L CB 1.973 44.135 42.059 0.173 0.000 1.296 560 L HN 0.563 nan 8.230 nan 0.000 0.427 561 W N 1.716 123.026 121.300 0.017 0.000 2.005 561 W HA 0.109 4.751 4.660 -0.030 0.000 0.358 561 W C 1.664 178.119 176.519 -0.107 0.000 1.343 561 W CA 1.346 58.682 57.345 -0.015 0.000 1.355 561 W CB 0.067 29.535 29.460 0.012 0.000 1.263 561 W HN 0.761 nan 8.180 nan 0.000 0.643 562 T N -0.550 114.101 114.554 0.163 0.000 13.132 562 T HA -0.395 3.937 4.350 -0.030 0.000 0.419 562 T C 0.755 175.326 174.700 -0.216 0.000 1.442 562 T CA 1.937 63.994 62.100 -0.072 0.000 2.366 562 T CB -1.373 67.360 68.868 -0.224 0.000 2.813 562 T HN 0.782 nan 8.240 nan 0.000 0.650 563 D N 3.416 123.591 120.400 -0.374 0.000 2.339 563 D HA 0.244 4.866 4.640 -0.030 0.000 0.217 563 D C 0.632 176.871 176.300 -0.102 0.000 1.050 563 D CA 0.105 53.965 54.000 -0.234 0.000 0.856 563 D CB -0.708 39.962 40.800 -0.216 0.000 0.922 563 D HN 0.722 nan 8.370 nan 0.000 0.518 564 I N 1.367 121.885 120.570 -0.086 0.000 6.399 564 I HA -0.280 3.872 4.170 -0.030 0.000 0.126 564 I C -0.306 175.770 176.117 -0.069 0.000 1.513 564 I CA 0.823 62.080 61.300 -0.071 0.000 2.479 564 I CB -1.690 36.271 38.000 -0.064 0.000 2.875 564 I HN 0.265 nan 8.210 nan 0.000 0.285 565 S N 2.188 117.860 115.700 -0.047 0.000 2.548 565 S HA 0.945 5.397 4.470 -0.030 0.000 0.286 565 S C -0.335 174.239 174.600 -0.044 0.000 1.098 565 S CA -0.372 57.799 58.200 -0.048 0.000 0.930 565 S CB 2.433 65.625 63.200 -0.014 0.000 1.070 565 S HN 0.905 nan 8.310 nan 0.000 0.480 566 A N 3.171 125.944 122.820 -0.078 0.000 2.258 566 A HA 0.764 5.066 4.320 -0.030 0.000 0.316 566 A C 0.108 177.645 177.584 -0.077 0.000 1.279 566 A CA -0.990 51.001 52.037 -0.076 0.000 0.876 566 A CB 0.512 19.441 19.000 -0.119 0.000 1.170 566 A HN 0.853 nan 8.150 nan 0.000 0.520 567 R N 2.884 123.363 120.500 -0.035 0.000 2.686 567 R HA 0.641 4.963 4.340 -0.030 0.000 0.286 567 R C -1.390 174.901 176.300 -0.014 0.000 0.969 567 R CA -0.771 55.320 56.100 -0.015 0.000 0.898 567 R CB 1.252 31.553 30.300 0.002 0.000 1.183 567 R HN 0.417 nan 8.270 nan 0.000 0.456 568 I N 4.355 124.920 120.570 -0.008 0.000 2.312 568 I HA 0.343 4.496 4.170 -0.030 0.000 0.290 568 I C 0.173 176.284 176.117 -0.010 0.000 1.008 568 I CA -0.710 60.578 61.300 -0.020 0.000 1.226 568 I CB 1.055 39.035 38.000 -0.035 0.000 1.371 568 I HN 0.494 nan 8.210 nan 0.000 0.468 569 L N 5.434 126.647 121.223 -0.018 0.000 2.330 569 L HA 0.541 4.863 4.340 -0.030 0.000 0.271 569 L C 0.220 177.036 176.870 -0.089 0.000 1.013 569 L CA -0.959 53.871 54.840 -0.016 0.000 0.816 569 L CB 1.923 44.019 42.059 0.063 0.000 1.287 569 L HN 0.476 nan 8.230 nan 0.000 0.435 570 K N 1.512 121.845 120.400 -0.112 0.000 2.118 570 K HA 0.620 4.922 4.320 -0.030 0.000 0.267 570 K C -1.225 175.177 176.600 -0.330 0.000 0.991 570 K CA -0.530 55.651 56.287 -0.176 0.000 0.916 570 K CB 1.106 33.534 32.500 -0.119 0.000 1.041 570 K HN 0.463 nan 8.250 nan 0.000 0.455 571 L N 5.377 126.366 121.223 -0.390 0.000 2.317 571 L HA 0.402 4.724 4.340 -0.030 0.000 0.281 571 L C -1.503 175.175 176.870 -0.320 0.000 1.024 571 L CA -1.752 52.737 54.840 -0.586 0.000 0.810 571 L CB 1.830 43.399 42.059 -0.817 0.000 1.240 571 L HN 0.696 nan 8.230 nan 0.000 0.427 572 P HA 0.010 nan 4.420 nan 0.000 0.257 572 P C 1.093 178.218 177.300 -0.290 0.000 1.241 572 P CA 0.221 63.171 63.100 -0.251 0.000 0.816 572 P CB 0.465 32.242 31.700 0.129 0.000 1.150 573 S N -0.546 115.050 115.700 -0.173 0.000 2.474 573 S HA -0.100 4.353 4.470 -0.030 0.000 0.235 573 S C 0.940 175.582 174.600 0.069 0.000 0.997 573 S CA 0.078 58.261 58.200 -0.029 0.000 0.949 573 S CB -1.532 61.659 63.200 -0.014 0.000 0.766 573 S HN 0.097 nan 8.310 nan 0.000 0.517 574 F N 0.921 120.832 119.950 -0.065 0.000 3.034 574 F HA -0.192 4.317 4.527 -0.030 0.000 0.286 574 F C 0.500 176.257 175.800 -0.071 0.000 0.804 574 F CA 0.777 58.727 58.000 -0.083 0.000 1.161 574 F CB -1.958 36.985 39.000 -0.094 0.000 1.317 574 F HN 0.483 nan 8.300 nan 0.000 0.453 575 E N 1.975 122.203 120.200 0.046 0.000 2.324 575 E HA 0.213 4.545 4.350 -0.030 0.000 0.271 575 E C 0.149 176.752 176.600 0.005 0.000 1.028 575 E CA -0.475 55.936 56.400 0.019 0.000 0.890 575 E CB 0.685 30.380 29.700 -0.007 0.000 1.004 575 E HN 0.380 nan 8.360 nan 0.000 0.431 576 L N 5.954 127.179 121.223 0.004 0.000 2.455 576 L HA -0.023 4.299 4.340 -0.030 0.000 0.272 576 L C 0.640 177.502 176.870 -0.013 0.000 1.174 576 L CA 0.215 55.052 54.840 -0.005 0.000 0.869 576 L CB 0.460 42.509 42.059 -0.016 0.000 1.130 576 L HN 0.848 nan 8.230 nan 0.000 0.474 577 L N 4.085 125.306 121.223 -0.004 0.000 2.653 577 L HA 0.252 4.574 4.340 -0.030 0.000 0.230 577 L C 0.164 177.063 176.870 0.047 0.000 1.055 577 L CA -0.115 54.730 54.840 0.007 0.000 0.880 577 L CB 0.239 42.299 42.059 0.002 0.000 1.195 577 L HN 0.579 nan 8.230 nan 0.000 0.492 578 H N 0.757 119.787 119.070 -0.066 0.000 3.099 578 H HA 0.287 4.825 4.556 -0.030 0.000 0.342 578 H C -1.630 173.639 175.328 -0.098 0.000 1.054 578 H CA -0.507 55.490 56.048 -0.085 0.000 1.328 578 H CB 2.232 31.930 29.762 -0.107 0.000 1.876 578 H HN -0.123 nan 8.280 nan 0.000 0.495 579 K N 3.834 124.131 120.400 -0.173 0.000 2.367 579 K HA 0.246 4.548 4.320 -0.030 0.000 0.263 579 K C -0.947 175.607 176.600 -0.075 0.000 1.000 579 K CA -0.581 55.661 56.287 -0.075 0.000 0.891 579 K CB 1.067 33.513 32.500 -0.090 0.000 1.117 579 K HN 0.466 nan 8.250 nan 0.000 0.443 580 E N 4.924 125.121 120.200 -0.004 0.000 2.129 580 E HA 0.191 4.523 4.350 -0.030 0.000 0.268 580 E C -0.736 175.807 176.600 -0.096 0.000 0.900 580 E CA -0.642 55.727 56.400 -0.052 0.000 0.755 580 E CB 0.737 30.305 29.700 -0.219 0.000 1.117 580 E HN 0.461 nan 8.360 nan 0.000 0.410 581 M N 5.662 125.218 119.600 -0.074 0.000 2.188 581 M HA 0.154 4.616 4.480 -0.030 0.000 0.354 581 M C 0.426 176.645 176.300 -0.135 0.000 1.342 581 M CA 0.162 55.412 55.300 -0.082 0.000 1.117 581 M CB 0.486 33.055 32.600 -0.051 0.000 1.670 581 M HN 0.734 nan 8.290 nan 0.000 0.466 582 L N 1.906 123.010 121.223 -0.197 0.000 2.529 582 L HA 0.254 4.576 4.340 -0.030 0.000 0.223 582 L C 1.159 177.910 176.870 -0.197 0.000 1.113 582 L CA 0.048 54.650 54.840 -0.396 0.000 0.861 582 L CB -0.382 41.380 42.059 -0.496 0.000 1.012 582 L HN 1.011 nan 8.230 nan 0.000 0.461 583 G N -0.111 108.643 108.800 -0.078 0.000 2.819 583 G HA2 0.173 4.115 3.960 -0.030 0.000 0.682 583 G HA3 0.173 4.115 3.960 -0.030 0.000 0.682 583 G C 0.205 175.119 174.900 0.024 0.000 1.481 583 G CA -0.406 44.691 45.100 -0.004 0.000 0.904 583 G HN 0.739 nan 8.290 nan 0.000 0.563 584 G N -0.504 108.312 108.800 0.028 0.000 2.698 584 G HA2 0.241 4.183 3.960 -0.030 0.000 0.225 584 G HA3 0.241 4.183 3.960 -0.030 0.000 0.225 584 G C 0.265 175.171 174.900 0.010 0.000 1.345 584 G CA 0.787 45.905 45.100 0.030 0.000 0.871 584 G HN 1.593 nan 8.290 nan 0.000 0.540 585 E N -0.543 119.662 120.200 0.008 0.000 2.583 585 E HA 0.194 4.526 4.350 -0.030 0.000 0.213 585 E C 0.617 177.206 176.600 -0.018 0.000 0.989 585 E CA -0.038 56.362 56.400 -0.001 0.000 0.991 585 E CB 0.867 30.573 29.700 0.009 0.000 1.040 585 E HN 0.462 nan 8.360 nan 0.000 0.481 586 I N 3.197 123.754 120.570 -0.021 0.000 2.321 586 I HA 0.294 4.446 4.170 -0.030 0.000 0.291 586 I C 0.867 176.930 176.117 -0.090 0.000 0.998 586 I CA -1.144 60.126 61.300 -0.049 0.000 1.227 586 I CB 0.591 38.581 38.000 -0.017 0.000 1.368 586 I HN -0.050 nan 8.210 nan 0.000 0.466 587 I N 5.231 125.681 120.570 -0.200 0.000 2.696 587 I HA 0.348 4.500 4.170 -0.030 0.000 0.284 587 I C -2.336 173.661 176.117 -0.200 0.000 1.129 587 I CA -1.763 59.358 61.300 -0.298 0.000 1.410 587 I CB 0.003 37.583 38.000 -0.700 0.000 1.399 587 I HN 0.279 nan 8.210 nan 0.000 0.579 588 P HA 0.184 nan 4.420 nan 0.000 0.271 588 P C -0.320 176.925 177.300 -0.092 0.000 1.220 588 P CA -0.265 62.801 63.100 -0.058 0.000 0.768 588 P CB 0.622 32.311 31.700 -0.018 0.000 0.848 589 R N 0.515 120.990 120.500 -0.041 0.000 2.307 589 R HA 0.276 4.598 4.340 -0.030 0.000 0.200 589 R C 0.397 176.708 176.300 0.018 0.000 0.893 589 R CA 0.360 56.438 56.100 -0.036 0.000 1.042 589 R CB 0.246 30.526 30.300 -0.033 0.000 1.059 589 R HN 0.399 nan 8.270 nan 0.000 0.530 590 S N -0.027 115.700 115.700 0.046 0.000 2.533 590 S HA 0.628 5.080 4.470 -0.030 0.000 0.271 590 S C -1.609 173.051 174.600 0.100 0.000 1.143 590 S CA -0.604 57.643 58.200 0.078 0.000 0.891 590 S CB 1.274 64.527 63.200 0.088 0.000 1.105 590 S HN 0.154 nan 8.310 nan 0.000 0.468 591 I N 3.881 124.513 120.570 0.103 0.000 2.722 591 I HA 0.779 4.931 4.170 -0.030 0.000 0.295 591 I C -2.135 174.050 176.117 0.113 0.000 1.161 591 I CA -0.892 60.477 61.300 0.116 0.000 1.032 591 I CB 1.781 39.836 38.000 0.091 0.000 1.244 591 I HN 0.667 nan 8.210 nan 0.000 0.421 592 L N 7.259 128.562 121.223 0.132 0.000 2.513 592 L HA 0.575 4.897 4.340 -0.030 0.000 0.261 592 L C -1.755 175.188 176.870 0.121 0.000 0.945 592 L CA -0.281 54.629 54.840 0.118 0.000 0.848 592 L CB 2.211 44.349 42.059 0.133 0.000 1.334 592 L HN 0.579 nan 8.230 nan 0.000 0.407 593 M N 3.707 123.353 119.600 0.077 0.000 2.238 593 M HA 0.676 5.138 4.480 -0.030 0.000 0.350 593 M C -0.720 175.601 176.300 0.035 0.000 1.138 593 M CA -0.233 55.107 55.300 0.068 0.000 1.040 593 M CB 1.806 34.417 32.600 0.018 0.000 1.639 593 M HN 0.691 nan 8.290 nan 0.000 0.451 594 T N 0.386 114.965 114.554 0.042 0.000 2.883 594 T HA 0.498 4.830 4.350 -0.030 0.000 0.301 594 T C -0.777 173.885 174.700 -0.063 0.000 1.158 594 T CA -0.814 61.218 62.100 -0.113 0.000 1.007 594 T CB 2.071 70.729 68.868 -0.350 0.000 1.186 594 T HN 0.512 nan 8.240 nan 0.000 0.499 595 T N 2.206 116.641 114.554 -0.198 0.000 2.833 595 T HA 0.597 4.929 4.350 -0.030 0.000 0.297 595 T C -1.000 173.527 174.700 -0.288 0.000 1.015 595 T CA -0.397 61.659 62.100 -0.073 0.000 0.963 595 T CB -0.097 68.816 68.868 0.074 0.000 0.955 595 T HN 0.372 nan 8.240 nan 0.000 0.449 596 F N 1.383 121.437 119.950 0.173 0.000 2.443 596 F HA 0.363 4.872 4.527 -0.030 0.000 0.335 596 F C 1.147 176.991 175.800 0.074 0.000 1.104 596 F CA -1.092 56.954 58.000 0.077 0.000 1.013 596 F CB 0.998 39.998 39.000 -0.000 0.000 1.136 596 F HN 0.566 nan 8.300 nan 0.000 0.470 597 E N 1.707 122.022 120.200 0.192 0.000 2.165 597 E HA -0.311 4.021 4.350 -0.030 0.000 0.203 597 E C 0.461 177.125 176.600 0.107 0.000 1.335 597 E CA 0.785 57.241 56.400 0.094 0.000 0.708 597 E CB -1.182 28.497 29.700 -0.036 0.000 1.105 597 E HN 0.844 nan 8.360 nan 0.000 0.346 598 S N -2.398 113.328 115.700 0.043 0.000 2.929 598 S HA -0.224 4.228 4.470 -0.030 0.000 0.271 598 S C 0.364 174.833 174.600 -0.219 0.000 1.295 598 S CA 1.337 59.507 58.200 -0.050 0.000 1.277 598 S CB -0.566 62.636 63.200 0.002 0.000 1.557 598 S HN 0.453 nan 8.310 nan 0.000 0.666 599 S N 1.492 117.115 115.700 -0.128 0.000 2.525 599 S HA 0.546 4.998 4.470 -0.030 0.000 0.290 599 S C -0.356 174.049 174.600 -0.325 0.000 1.152 599 S CA -0.625 57.408 58.200 -0.277 0.000 1.072 599 S CB 0.475 63.611 63.200 -0.107 0.000 1.027 599 S HN 0.372 nan 8.310 nan 0.000 0.500 600 H N 2.037 120.995 119.070 -0.186 0.000 2.458 600 H HA 0.446 4.984 4.556 -0.030 0.000 0.330 600 H C -1.130 174.038 175.328 -0.267 0.000 1.111 600 H CA -0.064 55.911 56.048 -0.122 0.000 1.245 600 H CB 0.667 30.383 29.762 -0.077 0.000 1.456 600 H HN 0.536 nan 8.280 nan 0.000 0.488 601 Y N 0.600 121.025 120.300 0.208 0.000 2.576 601 Y HA 0.247 4.779 4.550 -0.030 0.000 0.346 601 Y C -0.246 175.776 175.900 0.203 0.000 1.018 601 Y CA -0.945 57.293 58.100 0.231 0.000 1.050 601 Y CB 2.271 40.910 38.460 0.298 0.000 1.280 601 Y HN 0.344 nan 8.280 nan 0.000 0.474 602 L N 4.488 125.974 121.223 0.437 0.000 2.305 602 L HA 0.572 4.894 4.340 -0.030 0.000 0.284 602 L C -1.544 175.614 176.870 0.480 0.000 1.013 602 L CA -0.521 54.536 54.840 0.363 0.000 0.819 602 L CB 0.823 43.036 42.059 0.257 0.000 1.227 602 L HN 0.632 nan 8.230 nan 0.000 0.417 603 L N 5.204 126.649 121.223 0.369 0.000 2.329 603 L HA 0.524 4.846 4.340 -0.030 0.000 0.279 603 L C -0.544 176.516 176.870 0.318 0.000 1.014 603 L CA -0.523 54.536 54.840 0.365 0.000 0.814 603 L CB 2.065 44.298 42.059 0.290 0.000 1.257 603 L HN 0.622 nan 8.230 nan 0.000 0.424 604 C N 3.330 122.843 119.300 0.355 0.000 2.522 604 C HA 0.795 5.237 4.460 -0.030 0.000 0.344 604 C C 0.071 175.231 174.990 0.283 0.000 1.104 604 C CA -0.398 58.799 59.018 0.299 0.000 1.317 604 C CB 0.418 28.349 27.740 0.319 0.000 1.896 604 C HN 0.904 nan 8.230 nan 0.000 0.443 605 A N 6.837 129.768 122.820 0.185 0.000 2.292 605 A HA 0.785 5.087 4.320 -0.030 0.000 0.319 605 A C -0.475 177.168 177.584 0.099 0.000 1.206 605 A CA -0.410 51.705 52.037 0.129 0.000 0.835 605 A CB 0.536 19.588 19.000 0.087 0.000 1.164 605 A HN 0.934 nan 8.150 nan 0.000 0.505 606 L N 1.778 123.054 121.223 0.089 0.000 2.448 606 L HA 0.469 4.791 4.340 -0.030 0.000 0.258 606 L C 1.762 178.631 176.870 -0.002 0.000 1.104 606 L CA -0.428 54.442 54.840 0.049 0.000 0.800 606 L CB 0.724 42.836 42.059 0.088 0.000 1.241 606 L HN 0.826 nan 8.230 nan 0.000 0.472 607 G N -1.194 107.587 108.800 -0.032 0.000 2.776 607 G HA2 -0.154 3.788 3.960 -0.030 0.000 0.209 607 G HA3 -0.154 3.788 3.960 -0.030 0.000 0.209 607 G C 0.787 175.669 174.900 -0.029 0.000 1.145 607 G CA 0.146 45.222 45.100 -0.040 0.000 0.791 607 G HN 0.648 nan 8.290 nan 0.000 0.530 608 D N 0.010 120.397 120.400 -0.022 0.000 2.194 608 D HA 0.137 4.759 4.640 -0.030 0.000 0.204 608 D C 2.246 178.520 176.300 -0.043 0.000 0.964 608 D CA 1.441 55.424 54.000 -0.027 0.000 0.846 608 D CB 0.022 40.809 40.800 -0.023 0.000 0.962 608 D HN 0.354 nan 8.370 nan 0.000 0.490 609 G N -0.351 108.421 108.800 -0.047 0.000 2.232 609 G HA2 -0.185 3.757 3.960 -0.030 0.000 0.226 609 G HA3 -0.185 3.757 3.960 -0.030 0.000 0.226 609 G C 0.576 175.417 174.900 -0.098 0.000 0.996 609 G CA 0.235 45.296 45.100 -0.066 0.000 0.626 609 G HN 0.612 nan 8.290 nan 0.000 0.509 610 A N -0.045 122.711 122.820 -0.106 0.000 2.498 610 A HA 0.628 4.930 4.320 -0.030 0.000 0.239 610 A C -0.036 177.447 177.584 -0.168 0.000 1.068 610 A CA 1.106 53.029 52.037 -0.191 0.000 0.766 610 A CB 0.732 19.605 19.000 -0.212 0.000 1.003 610 A HN 1.675 nan 8.150 nan 0.000 0.497 611 L N 2.563 123.630 121.223 -0.260 0.000 2.441 611 L HA 0.691 5.013 4.340 -0.030 0.000 0.270 611 L C -1.387 175.379 176.870 -0.172 0.000 0.973 611 L CA -0.227 54.549 54.840 -0.107 0.000 0.842 611 L CB 1.014 43.050 42.059 -0.037 0.000 1.239 611 L HN 0.580 nan 8.230 nan 0.000 0.406 612 F N 4.848 124.837 119.950 0.066 0.000 2.385 612 F HA 0.576 5.085 4.527 -0.030 0.000 0.336 612 F C -0.275 175.550 175.800 0.041 0.000 1.100 612 F CA 0.020 57.981 58.000 -0.065 0.000 1.116 612 F CB 1.083 40.070 39.000 -0.022 0.000 1.166 612 F HN 0.472 nan 8.300 nan 0.000 0.511 613 Y N 0.039 120.241 120.300 -0.164 0.000 2.524 613 Y HA 0.808 5.340 4.550 -0.030 0.000 0.347 613 Y C -1.893 173.808 175.900 -0.332 0.000 1.005 613 Y CA -2.140 55.924 58.100 -0.059 0.000 1.025 613 Y CB 1.302 39.820 38.460 0.097 0.000 1.275 613 Y HN 0.386 nan 8.280 nan 0.000 0.460 614 F N 0.670 120.839 119.950 0.364 0.000 2.588 614 F HA 0.711 5.220 4.527 -0.030 0.000 0.310 614 F C 0.603 176.542 175.800 0.232 0.000 1.082 614 F CA -1.364 56.755 58.000 0.199 0.000 0.929 614 F CB 2.317 41.356 39.000 0.065 0.000 1.254 614 F HN 0.898 nan 8.300 nan 0.000 0.455 615 G N 1.731 110.685 108.800 0.258 0.000 2.406 615 G HA2 0.431 4.373 3.960 -0.030 0.000 0.251 615 G HA3 0.431 4.373 3.960 -0.030 0.000 0.251 615 G C -1.543 173.376 174.900 0.031 0.000 1.271 615 G CA -0.135 44.974 45.100 0.015 0.000 0.859 615 G HN 0.522 nan 8.290 nan 0.000 0.540 616 L N 2.038 123.247 121.223 -0.022 0.000 2.356 616 L HA 0.522 4.844 4.340 -0.030 0.000 0.277 616 L C -0.726 176.150 176.870 0.010 0.000 0.996 616 L CA -1.172 53.668 54.840 0.000 0.000 0.822 616 L CB 1.970 44.053 42.059 0.039 0.000 1.256 616 L HN 0.454 nan 8.230 nan 0.000 0.413 617 N N 4.563 123.255 118.700 -0.014 0.000 2.439 617 N HA 0.233 4.955 4.740 -0.030 0.000 0.249 617 N C 0.996 176.488 175.510 -0.031 0.000 1.003 617 N CA -0.414 52.636 53.050 0.001 0.000 0.942 617 N CB 0.722 39.205 38.487 -0.006 0.000 1.115 617 N HN 0.754 nan 8.380 nan 0.000 0.505 618 I N 0.097 120.635 120.570 -0.053 0.000 2.830 618 I HA 0.010 4.162 4.170 -0.030 0.000 0.263 618 I C 0.981 177.047 176.117 -0.085 0.000 1.230 618 I CA 0.927 62.150 61.300 -0.129 0.000 1.480 618 I CB 0.097 37.925 38.000 -0.288 0.000 1.095 618 I HN 0.391 nan 8.210 nan 0.000 0.455 619 E N 1.401 121.573 120.200 -0.047 0.000 2.122 619 E HA -0.082 4.250 4.350 -0.030 0.000 0.190 619 E C 1.976 178.556 176.600 -0.033 0.000 0.977 619 E CA 1.643 58.021 56.400 -0.037 0.000 0.820 619 E CB 0.152 29.840 29.700 -0.020 0.000 0.770 619 E HN 0.719 nan 8.360 nan 0.000 0.462 620 T N -4.038 110.500 114.554 -0.026 0.000 2.971 620 T HA 0.276 4.608 4.350 -0.030 0.000 0.252 620 T C 1.504 176.196 174.700 -0.014 0.000 1.022 620 T CA 0.334 62.424 62.100 -0.016 0.000 0.980 620 T CB 0.922 69.789 68.868 -0.003 0.000 1.044 620 T HN 0.207 nan 8.240 nan 0.000 0.501 621 G N 1.544 110.327 108.800 -0.028 0.000 2.147 621 G HA2 -0.196 3.746 3.960 -0.030 0.000 0.244 621 G HA3 -0.196 3.746 3.960 -0.030 0.000 0.244 621 G C -0.163 174.721 174.900 -0.027 0.000 1.005 621 G CA 0.183 45.262 45.100 -0.035 0.000 0.713 621 G HN 0.789 nan 8.290 nan 0.000 0.515 622 L N 0.624 121.836 121.223 -0.018 0.000 2.380 622 L HA 0.691 5.013 4.340 -0.030 0.000 0.273 622 L C 0.418 177.163 176.870 -0.210 0.000 1.138 622 L CA -0.515 54.320 54.840 -0.008 0.000 0.832 622 L CB 0.671 42.761 42.059 0.052 0.000 1.124 622 L HN 0.146 nan 8.230 nan 0.000 0.454 623 L N 5.453 126.297 121.223 -0.632 0.000 2.272 623 L HA 0.532 4.854 4.340 -0.030 0.000 0.289 623 L C 0.109 176.882 176.870 -0.161 0.000 1.032 623 L CA -0.354 54.161 54.840 -0.541 0.000 0.810 623 L CB 1.265 42.693 42.059 -1.052 0.000 1.205 623 L HN 0.853 nan 8.230 nan 0.000 0.422 624 S N -0.093 115.630 115.700 0.039 0.000 2.715 624 S HA 0.520 4.972 4.470 -0.030 0.000 0.307 624 S C -0.543 174.156 174.600 0.164 0.000 1.119 624 S CA -0.807 57.454 58.200 0.101 0.000 0.937 624 S CB 1.926 65.154 63.200 0.047 0.000 1.150 624 S HN 0.677 nan 8.310 nan 0.000 0.521 625 D N 0.306 120.763 120.400 0.095 0.000 2.737 625 D HA -0.147 4.475 4.640 -0.030 0.000 0.238 625 D C -0.083 176.179 176.300 -0.064 0.000 1.157 625 D CA 0.789 54.806 54.000 0.028 0.000 0.694 625 D CB -0.996 39.826 40.800 0.036 0.000 1.021 625 D HN 0.608 nan 8.370 nan 0.000 0.420 626 R N 1.158 121.632 120.500 -0.042 0.000 2.537 626 R HA 0.132 4.454 4.340 -0.030 0.000 0.281 626 R C -0.167 175.915 176.300 -0.363 0.000 0.988 626 R CA 0.584 56.515 56.100 -0.281 0.000 1.077 626 R CB 0.443 30.759 30.300 0.027 0.000 0.932 626 R HN 0.132 nan 8.270 nan 0.000 0.409 627 K N 3.194 123.214 120.400 -0.634 0.000 2.523 627 K HA 0.259 4.561 4.320 -0.030 0.000 0.257 627 K C -1.436 174.782 176.600 -0.636 0.000 0.932 627 K CA -0.844 55.048 56.287 -0.658 0.000 0.812 627 K CB 2.278 34.163 32.500 -1.025 0.000 1.326 627 K HN 0.419 nan 8.250 nan 0.000 0.433 628 K N 2.361 122.502 120.400 -0.430 0.000 2.397 628 K HA 0.524 4.827 4.320 -0.030 0.000 0.253 628 K C -1.003 175.402 176.600 -0.326 0.000 0.932 628 K CA -0.694 55.285 56.287 -0.513 0.000 0.795 628 K CB 1.612 33.713 32.500 -0.665 0.000 1.159 628 K HN 0.448 nan 8.250 nan 0.000 0.424 629 V N -0.501 119.220 119.914 -0.322 0.000 3.126 629 V HA 0.663 4.765 4.120 -0.030 0.000 0.314 629 V C -0.711 175.184 176.094 -0.330 0.000 1.138 629 V CA -0.700 61.407 62.300 -0.321 0.000 1.034 629 V CB 1.808 33.322 31.823 -0.514 0.000 1.075 629 V HN 0.730 nan 8.190 nan 0.000 0.442 630 T N 3.217 117.602 114.554 -0.281 0.000 2.797 630 T HA 0.710 5.042 4.350 -0.030 0.000 0.279 630 T C -0.349 174.219 174.700 -0.220 0.000 0.991 630 T CA -0.157 61.811 62.100 -0.220 0.000 0.979 630 T CB 0.931 69.706 68.868 -0.156 0.000 0.943 630 T HN 0.654 nan 8.240 nan 0.000 0.444 631 L N 3.351 124.464 121.223 -0.183 0.000 2.556 631 L HA 0.574 4.896 4.340 -0.030 0.000 0.243 631 L C 0.963 177.772 176.870 -0.103 0.000 1.331 631 L CA -0.598 54.150 54.840 -0.154 0.000 0.927 631 L CB 0.080 42.046 42.059 -0.155 0.000 1.219 631 L HN 1.019 nan 8.230 nan 0.000 0.490 632 G N 1.097 109.842 108.800 -0.091 0.000 2.681 632 G HA2 -0.268 3.674 3.960 -0.030 0.000 0.220 632 G HA3 -0.268 3.674 3.960 -0.030 0.000 0.220 632 G C 0.415 175.278 174.900 -0.062 0.000 1.353 632 G CA 0.076 45.136 45.100 -0.068 0.000 0.872 632 G HN 0.466 nan 8.290 nan 0.000 0.557 633 T N -2.785 111.739 114.554 -0.049 0.000 2.955 633 T HA 0.344 4.676 4.350 -0.030 0.000 0.251 633 T C 0.950 175.629 174.700 -0.035 0.000 1.002 633 T CA 0.934 63.010 62.100 -0.040 0.000 0.970 633 T CB 0.300 69.149 68.868 -0.032 0.000 1.091 633 T HN 0.661 nan 8.240 nan 0.000 0.495 634 Q N 2.489 122.267 119.800 -0.037 0.000 2.382 634 Q HA 0.338 4.660 4.340 -0.030 0.000 0.229 634 Q C -2.474 173.503 176.000 -0.038 0.000 1.006 634 Q CA -2.125 53.657 55.803 -0.035 0.000 0.916 634 Q CB 0.193 28.907 28.738 -0.041 0.000 1.235 634 Q HN 0.255 nan 8.270 nan 0.000 0.512 635 P HA 0.032 nan 4.420 nan 0.000 0.268 635 P C -0.756 176.520 177.300 -0.040 0.000 1.205 635 P CA 0.124 63.204 63.100 -0.033 0.000 0.771 635 P CB 0.398 32.081 31.700 -0.028 0.000 0.858 636 T N 2.220 116.760 114.554 -0.022 0.000 2.767 636 T HA 0.308 4.640 4.350 -0.030 0.000 0.284 636 T C 0.170 174.876 174.700 0.009 0.000 0.973 636 T CA -0.447 61.645 62.100 -0.013 0.000 0.996 636 T CB 0.799 69.667 68.868 0.001 0.000 0.927 636 T HN 0.073 nan 8.240 nan 0.000 0.456 637 V N 5.127 125.039 119.914 -0.005 0.000 2.439 637 V HA 0.419 4.521 4.120 -0.030 0.000 0.282 637 V C -0.086 176.069 176.094 0.102 0.000 1.039 637 V CA -0.735 61.585 62.300 0.033 0.000 0.913 637 V CB 1.044 32.842 31.823 -0.043 0.000 0.983 637 V HN 0.703 nan 8.190 nan 0.000 0.460 638 L N 5.489 126.793 121.223 0.135 0.000 2.322 638 L HA 0.754 5.076 4.340 -0.030 0.000 0.281 638 L C -0.202 176.787 176.870 0.198 0.000 1.014 638 L CA -0.593 54.355 54.840 0.181 0.000 0.815 638 L CB 1.632 43.795 42.059 0.174 0.000 1.247 638 L HN 0.563 nan 8.230 nan 0.000 0.421 639 R N 1.353 122.003 120.500 0.250 0.000 2.538 639 R HA 0.375 4.697 4.340 -0.030 0.000 0.292 639 R C -0.651 175.854 176.300 0.342 0.000 1.008 639 R CA -0.305 55.942 56.100 0.245 0.000 0.896 639 R CB 1.892 32.291 30.300 0.166 0.000 1.187 639 R HN 0.586 nan 8.270 nan 0.000 0.440 640 T N 4.244 118.963 114.554 0.275 0.000 2.898 640 T HA 0.560 4.893 4.350 -0.030 0.000 0.301 640 T C -0.712 174.218 174.700 0.383 0.000 1.049 640 T CA 0.152 62.409 62.100 0.261 0.000 1.095 640 T CB 0.058 68.998 68.868 0.119 0.000 0.976 640 T HN 0.437 nan 8.240 nan 0.000 0.539 641 F N 1.645 121.660 119.950 0.110 0.000 2.719 641 F HA 0.702 5.211 4.527 -0.030 0.000 0.309 641 F C -1.128 174.723 175.800 0.085 0.000 1.138 641 F CA -1.520 56.536 58.000 0.094 0.000 0.943 641 F CB 1.150 40.209 39.000 0.099 0.000 1.304 641 F HN 0.266 nan 8.300 nan 0.000 0.445 642 R N 1.919 122.489 120.500 0.117 0.000 2.460 642 R HA 0.689 5.011 4.340 -0.030 0.000 0.303 642 R C -1.241 175.116 176.300 0.095 0.000 0.968 642 R CA -0.700 55.405 56.100 0.008 0.000 0.889 642 R CB 1.697 32.027 30.300 0.051 0.000 1.123 642 R HN 0.932 nan 8.270 nan 0.000 0.455 643 S N 0.991 116.694 115.700 0.005 0.000 2.614 643 S HA 0.333 4.785 4.470 -0.030 0.000 0.275 643 S C 0.018 174.634 174.600 0.026 0.000 1.161 643 S CA -0.932 57.312 58.200 0.074 0.000 0.969 643 S CB 1.109 64.392 63.200 0.137 0.000 1.059 643 S HN 0.680 nan 8.310 nan 0.000 0.482 644 L N 2.291 123.540 121.223 0.042 0.000 3.762 644 L HA -0.272 4.050 4.340 -0.030 0.000 0.460 644 L C 1.065 177.947 176.870 0.020 0.000 1.255 644 L CA 0.497 55.354 54.840 0.029 0.000 0.783 644 L CB -2.436 39.637 42.059 0.023 0.000 1.600 644 L HN 1.638 nan 8.230 nan 0.000 0.862 645 S N -2.671 113.043 115.700 0.023 0.000 3.419 645 S HA -0.250 4.202 4.470 -0.030 0.000 0.350 645 S C 0.423 175.030 174.600 0.011 0.000 1.128 645 S CA 1.584 59.796 58.200 0.019 0.000 0.999 645 S CB -2.161 61.052 63.200 0.022 0.000 0.923 645 S HN 1.181 nan 8.310 nan 0.000 0.522 646 T N -1.670 112.882 114.554 -0.003 0.000 2.912 646 T HA 0.691 5.023 4.350 -0.030 0.000 0.288 646 T C -0.238 174.430 174.700 -0.053 0.000 1.030 646 T CA -0.096 61.999 62.100 -0.009 0.000 1.020 646 T CB 1.819 70.690 68.868 0.005 0.000 1.056 646 T HN 0.853 nan 8.240 nan 0.000 0.480 647 T N 1.668 116.199 114.554 -0.039 0.000 2.771 647 T HA 0.536 4.868 4.350 -0.030 0.000 0.291 647 T C -0.577 174.086 174.700 -0.061 0.000 0.954 647 T CA -0.522 61.516 62.100 -0.103 0.000 1.045 647 T CB -0.449 68.345 68.868 -0.124 0.000 0.917 647 T HN 0.746 nan 8.240 nan 0.000 0.484 648 N N 1.998 120.528 118.700 -0.284 0.000 2.469 648 N HA 0.706 5.428 4.740 -0.030 0.000 0.286 648 N C -1.634 173.801 175.510 -0.125 0.000 1.275 648 N CA -0.873 52.038 53.050 -0.232 0.000 0.790 648 N CB 2.251 40.258 38.487 -0.800 0.000 1.446 648 N HN 0.428 nan 8.380 nan 0.000 0.501 649 V N 1.401 121.439 119.914 0.207 0.000 2.483 649 V HA 0.369 4.471 4.120 -0.030 0.000 0.297 649 V C -1.181 175.213 176.094 0.500 0.000 1.027 649 V CA -0.677 61.846 62.300 0.371 0.000 0.855 649 V CB 0.995 33.026 31.823 0.346 0.000 0.995 649 V HN 0.569 nan 8.190 nan 0.000 0.424 650 F N 3.988 124.249 119.950 0.519 0.000 2.410 650 F HA 0.677 5.186 4.527 -0.030 0.000 0.348 650 F C 0.553 176.445 175.800 0.153 0.000 1.106 650 F CA -0.177 57.994 58.000 0.285 0.000 1.163 650 F CB 1.027 40.039 39.000 0.019 0.000 1.129 650 F HN 0.555 nan 8.300 nan 0.000 0.516 651 A N 5.756 128.605 122.820 0.047 0.000 2.285 651 A HA 0.540 4.842 4.320 -0.030 0.000 0.310 651 A C -1.136 176.517 177.584 0.114 0.000 1.266 651 A CA -0.548 51.551 52.037 0.103 0.000 0.832 651 A CB 0.021 19.041 19.000 0.033 0.000 1.163 651 A HN 0.822 nan 8.150 nan 0.000 0.499 652 C N 2.977 122.387 119.300 0.184 0.000 2.347 652 C HA 0.834 5.276 4.460 -0.030 0.000 0.353 652 C C 0.967 175.954 174.990 -0.005 0.000 1.273 652 C CA 0.221 59.312 59.018 0.122 0.000 1.861 652 C CB -0.819 26.923 27.740 0.004 0.000 2.420 652 C HN 1.106 nan 8.230 nan 0.000 0.542 653 S N 1.439 117.131 115.700 -0.014 0.000 2.680 653 S HA 0.270 4.722 4.470 -0.030 0.000 0.276 653 S C 0.171 174.749 174.600 -0.037 0.000 1.189 653 S CA -0.151 58.023 58.200 -0.044 0.000 0.909 653 S CB 0.445 63.618 63.200 -0.044 0.000 1.227 653 S HN 0.653 nan 8.310 nan 0.000 0.501 654 D N 0.470 120.845 120.400 -0.041 0.000 2.312 654 D HA -0.078 4.544 4.640 -0.030 0.000 0.211 654 D C 0.716 176.994 176.300 -0.036 0.000 0.964 654 D CA 0.484 54.463 54.000 -0.035 0.000 0.877 654 D CB -0.241 40.539 40.800 -0.033 0.000 0.924 654 D HN 0.707 nan 8.370 nan 0.000 0.515 655 R N 0.641 121.115 120.500 -0.044 0.000 2.513 655 R HA 0.399 4.721 4.340 -0.030 0.000 0.283 655 R C -3.049 173.214 176.300 -0.061 0.000 1.535 655 R CA -1.643 54.427 56.100 -0.050 0.000 1.315 655 R CB 0.965 31.231 30.300 -0.057 0.000 1.163 655 R HN -0.159 nan 8.270 nan 0.000 0.573 656 P HA 0.065 nan 4.420 nan 0.000 0.267 656 P C -0.713 176.468 177.300 -0.199 0.000 1.200 656 P CA 0.190 63.232 63.100 -0.097 0.000 0.772 656 P CB 1.100 32.797 31.700 -0.006 0.000 0.855 657 T N 0.842 115.195 114.554 -0.335 0.000 2.956 657 T HA 0.304 4.636 4.350 -0.030 0.000 0.312 657 T C -0.634 173.839 174.700 -0.378 0.000 1.151 657 T CA -0.454 61.498 62.100 -0.246 0.000 1.024 657 T CB 1.331 70.164 68.868 -0.059 0.000 1.140 657 T HN 0.063 nan 8.240 nan 0.000 0.473 658 V N 3.456 123.241 119.914 -0.215 0.000 2.427 658 V HA 0.525 4.627 4.120 -0.030 0.000 0.286 658 V C -0.198 175.937 176.094 0.068 0.000 1.034 658 V CA -0.717 61.542 62.300 -0.068 0.000 0.893 658 V CB 1.140 32.963 31.823 -0.001 0.000 0.982 658 V HN 0.722 nan 8.190 nan 0.000 0.452 659 I N 6.615 127.212 120.570 0.044 0.000 2.377 659 I HA 0.618 4.770 4.170 -0.030 0.000 0.293 659 I C -0.352 175.608 176.117 -0.261 0.000 0.987 659 I CA -0.346 60.821 61.300 -0.221 0.000 1.185 659 I CB 0.963 38.836 38.000 -0.213 0.000 1.341 659 I HN 0.803 nan 8.210 nan 0.000 0.455 660 Y N 2.633 122.399 120.300 -0.889 0.000 2.853 660 Y HA 0.683 5.215 4.550 -0.030 0.000 0.326 660 Y C -0.994 174.290 175.900 -1.028 0.000 1.384 660 Y CA -1.197 56.343 58.100 -0.933 0.000 1.077 660 Y CB 1.384 39.606 38.460 -0.396 0.000 1.395 660 Y HN 0.353 nan 8.280 nan 0.000 0.451 661 S N 0.912 116.210 115.700 -0.669 0.000 2.500 661 S HA 0.745 5.197 4.470 -0.030 0.000 0.301 661 S C -1.360 173.038 174.600 -0.338 0.000 1.092 661 S CA -0.335 57.529 58.200 -0.562 0.000 1.030 661 S CB 1.378 64.411 63.200 -0.279 0.000 1.031 661 S HN 0.872 nan 8.310 nan 0.000 0.483 662 S N 3.120 118.607 115.700 -0.355 0.000 2.546 662 S HA 0.492 4.944 4.470 -0.030 0.000 0.272 662 S C -0.442 174.051 174.600 -0.178 0.000 1.140 662 S CA -0.400 57.671 58.200 -0.214 0.000 0.920 662 S CB 0.885 63.988 63.200 -0.162 0.000 1.083 662 S HN 1.004 nan 8.310 nan 0.000 0.476 663 N N 3.275 121.887 118.700 -0.147 0.000 2.735 663 N HA -0.192 4.530 4.740 -0.030 0.000 0.248 663 N C -0.403 175.140 175.510 0.055 0.000 1.083 663 N CA 1.576 54.599 53.050 -0.045 0.000 0.703 663 N CB -2.138 36.334 38.487 -0.024 0.000 1.005 663 N HN 0.886 nan 8.380 nan 0.000 0.550 664 H N -2.423 116.628 119.070 -0.032 0.000 2.692 664 H HA -0.220 4.318 4.556 -0.030 0.000 0.316 664 H C 0.231 175.569 175.328 0.016 0.000 1.176 664 H CA 1.575 57.629 56.048 0.010 0.000 1.142 664 H CB -1.243 28.528 29.762 0.016 0.000 1.475 664 H HN 0.679 nan 8.280 nan 0.000 0.423 665 K N 0.771 121.159 120.400 -0.020 0.000 2.543 665 K HA 0.389 4.691 4.320 -0.030 0.000 0.255 665 K C -0.547 175.865 176.600 -0.312 0.000 0.934 665 K CA -0.773 55.473 56.287 -0.069 0.000 0.810 665 K CB 1.867 34.336 32.500 -0.051 0.000 1.315 665 K HN 0.066 nan 8.250 nan 0.000 0.433 666 L N 3.861 124.830 121.223 -0.423 0.000 2.367 666 L HA 0.315 4.637 4.340 -0.030 0.000 0.275 666 L C -0.299 176.022 176.870 -0.916 0.000 1.129 666 L CA -0.593 53.719 54.840 -0.881 0.000 0.839 666 L CB 1.137 42.498 42.059 -1.163 0.000 1.133 666 L HN 0.356 nan 8.230 nan 0.000 0.453 667 V N 3.452 122.626 119.914 -1.233 0.000 2.769 667 V HA 0.465 4.567 4.120 -0.030 0.000 0.312 667 V C -0.682 174.691 176.094 -1.201 0.000 1.061 667 V CA -0.566 61.105 62.300 -1.049 0.000 0.931 667 V CB 2.115 33.340 31.823 -0.997 0.000 1.010 667 V HN 0.375 nan 8.190 nan 0.000 0.433 668 F N 1.834 121.589 119.950 -0.324 0.000 2.445 668 F HA 0.581 5.091 4.527 -0.029 0.000 0.348 668 F C 0.388 176.155 175.800 -0.055 0.000 1.125 668 F CA -0.283 57.611 58.000 -0.176 0.000 0.983 668 F CB 1.958 40.850 39.000 -0.179 0.000 1.198 668 F HN 0.407 nan 8.300 nan 0.000 0.436 669 S N 2.960 118.767 115.700 0.179 0.000 2.472 669 S HA 0.461 4.913 4.470 -0.030 0.000 0.303 669 S C -0.331 174.289 174.600 0.033 0.000 1.099 669 S CA -0.710 57.569 58.200 0.132 0.000 1.077 669 S CB 0.582 63.899 63.200 0.195 0.000 1.031 669 S HN 0.698 nan 8.310 nan 0.000 0.487 670 N N 1.702 120.404 118.700 0.003 0.000 2.508 670 N HA 0.285 5.007 4.740 -0.030 0.000 0.264 670 N C -1.042 174.429 175.510 -0.063 0.000 1.216 670 N CA -0.354 52.673 53.050 -0.040 0.000 0.943 670 N CB 0.809 39.276 38.487 -0.034 0.000 1.113 670 N HN 0.314 nan 8.380 nan 0.000 0.447 671 V N 2.323 122.181 119.914 -0.093 0.000 2.398 671 V HA 0.168 4.270 4.120 -0.030 0.000 0.286 671 V C -0.091 175.975 176.094 -0.047 0.000 1.026 671 V CA -0.920 61.331 62.300 -0.081 0.000 0.868 671 V CB 1.292 33.045 31.823 -0.116 0.000 0.982 671 V HN 0.638 nan 8.190 nan 0.000 0.443 672 N N 5.969 124.643 118.700 -0.044 0.000 3.050 672 N HA 0.379 5.102 4.740 -0.030 0.000 0.289 672 N C -0.794 174.699 175.510 -0.029 0.000 1.209 672 N CA 0.274 53.302 53.050 -0.037 0.000 1.154 672 N CB 0.122 38.583 38.487 -0.043 0.000 1.444 672 N HN 0.554 nan 8.380 nan 0.000 0.529 673 L N 0.310 121.523 121.223 -0.017 0.000 2.434 673 L HA 0.294 4.616 4.340 -0.030 0.000 0.260 673 L C 1.206 178.070 176.870 -0.010 0.000 0.983 673 L CA -0.752 54.083 54.840 -0.010 0.000 0.820 673 L CB 2.284 44.347 42.059 0.007 0.000 1.361 673 L HN -0.061 nan 8.230 nan 0.000 0.410 674 K N 0.499 120.893 120.400 -0.010 0.000 2.044 674 K HA -0.084 4.218 4.320 -0.030 0.000 0.210 674 K C 0.024 176.617 176.600 -0.012 0.000 1.049 674 K CA 1.569 57.849 56.287 -0.012 0.000 0.927 674 K CB 0.153 32.647 32.500 -0.010 0.000 0.713 674 K HN 0.522 nan 8.250 nan 0.000 0.443 675 E N -1.128 119.067 120.200 -0.008 0.000 2.378 675 E HA 0.300 4.632 4.350 -0.030 0.000 0.283 675 E C -1.953 174.644 176.600 -0.006 0.000 0.979 675 E CA -0.570 55.824 56.400 -0.011 0.000 0.795 675 E CB 1.827 31.517 29.700 -0.017 0.000 1.221 675 E HN -0.180 nan 8.360 nan 0.000 0.428 676 V N 4.117 124.027 119.914 -0.006 0.000 2.686 676 V HA 0.339 4.441 4.120 -0.030 0.000 0.306 676 V C -0.033 176.007 176.094 -0.089 0.000 1.065 676 V CA -0.771 61.520 62.300 -0.015 0.000 0.894 676 V CB 1.839 33.708 31.823 0.076 0.000 1.004 676 V HN 0.722 nan 8.190 nan 0.000 0.424 677 N N 1.944 120.547 118.700 -0.162 0.000 2.428 677 N HA 0.182 4.904 4.740 -0.030 0.000 0.181 677 N C -0.506 174.539 175.510 -0.776 0.000 1.028 677 N CA 1.021 53.825 53.050 -0.410 0.000 0.877 677 N CB 0.392 38.707 38.487 -0.287 0.000 1.064 677 N HN 0.660 nan 8.380 nan 0.000 0.434 678 Y N -0.600 119.625 120.300 -0.124 0.000 2.553 678 Y HA 0.587 5.119 4.550 -0.030 0.000 0.347 678 Y C -0.087 175.649 175.900 -0.273 0.000 1.019 678 Y CA -0.985 57.000 58.100 -0.192 0.000 1.032 678 Y CB 2.201 40.510 38.460 -0.252 0.000 1.284 678 Y HN -0.214 nan 8.280 nan 0.000 0.466 679 M N 3.551 123.050 119.600 -0.168 0.000 2.365 679 M HA 0.617 5.079 4.480 -0.030 0.000 0.288 679 M C -2.030 174.097 176.300 -0.288 0.000 1.152 679 M CA -0.542 54.541 55.300 -0.363 0.000 0.948 679 M CB 1.470 33.622 32.600 -0.747 0.000 1.729 679 M HN 0.941 nan 8.290 nan 0.000 0.487 680 C N 3.172 122.303 119.300 -0.283 0.000 2.898 680 C HA 0.958 5.400 4.460 -0.030 0.000 0.304 680 C C -2.787 172.102 174.990 -0.169 0.000 1.237 680 C CA -1.461 57.450 59.018 -0.179 0.000 1.529 680 C CB 2.148 29.800 27.740 -0.148 0.000 2.021 680 C HN 0.725 nan 8.230 nan 0.000 0.474 681 P HA 0.330 nan 4.420 nan 0.000 0.271 681 P C -1.077 176.215 177.300 -0.013 0.000 1.216 681 P CA 0.111 63.193 63.100 -0.031 0.000 0.776 681 P CB 0.914 32.670 31.700 0.094 0.000 0.881 682 L N 3.133 124.347 121.223 -0.015 0.000 2.410 682 L HA 0.434 4.756 4.340 -0.030 0.000 0.270 682 L C -0.411 176.482 176.870 0.039 0.000 0.983 682 L CA -0.587 54.254 54.840 0.002 0.000 0.822 682 L CB 2.094 44.130 42.059 -0.038 0.000 1.285 682 L HN 0.311 nan 8.230 nan 0.000 0.409 683 N N 2.148 120.879 118.700 0.052 0.000 2.750 683 N HA 0.218 4.940 4.740 -0.030 0.000 0.253 683 N C -1.034 174.511 175.510 0.058 0.000 1.408 683 N CA -0.312 52.773 53.050 0.059 0.000 0.780 683 N CB 1.006 39.526 38.487 0.055 0.000 1.191 683 N HN 0.556 nan 8.380 nan 0.000 0.511 684 S N 0.237 115.985 115.700 0.080 0.000 2.690 684 S HA 0.335 4.787 4.470 -0.030 0.000 0.291 684 S C 0.822 175.445 174.600 0.038 0.000 1.138 684 S CA -0.572 57.671 58.200 0.071 0.000 1.013 684 S CB 1.394 64.665 63.200 0.117 0.000 1.053 684 S HN 0.325 nan 8.310 nan 0.000 0.539 685 D N 0.968 121.370 120.400 0.005 0.000 2.219 685 D HA 0.024 4.646 4.640 -0.030 0.000 0.205 685 D C 1.714 177.956 176.300 -0.097 0.000 0.970 685 D CA 1.276 55.256 54.000 -0.034 0.000 0.851 685 D CB -0.962 39.821 40.800 -0.030 0.000 0.943 685 D HN 0.676 nan 8.370 nan 0.000 0.488 686 G N -1.384 107.338 108.800 -0.129 0.000 2.464 686 G HA2 -0.081 3.861 3.960 -0.030 0.000 0.217 686 G HA3 -0.081 3.861 3.960 -0.030 0.000 0.217 686 G C -0.156 174.338 174.900 -0.677 0.000 1.138 686 G CA 0.143 45.020 45.100 -0.371 0.000 0.793 686 G HN 0.328 nan 8.290 nan 0.000 0.539 687 Y N 0.555 120.818 120.300 -0.062 0.000 2.544 687 Y HA 0.355 4.887 4.550 -0.030 0.000 0.347 687 Y C -2.552 173.309 175.900 -0.065 0.000 1.089 687 Y CA -2.626 55.420 58.100 -0.090 0.000 1.230 687 Y CB 1.724 40.146 38.460 -0.065 0.000 1.101 687 Y HN -0.051 nan 8.280 nan 0.000 0.641 688 P HA 0.099 nan 4.420 nan 0.000 0.276 688 P C -0.121 177.205 177.300 0.042 0.000 1.230 688 P CA 0.131 63.245 63.100 0.023 0.000 0.776 688 P CB 0.695 32.389 31.700 -0.009 0.000 0.888 689 D N -0.379 120.053 120.400 0.053 0.000 2.686 689 D HA -0.132 4.490 4.640 -0.030 0.000 0.235 689 D C -0.192 176.149 176.300 0.069 0.000 1.160 689 D CA 1.105 55.144 54.000 0.066 0.000 0.645 689 D CB -1.257 39.583 40.800 0.067 0.000 1.039 689 D HN 0.279 nan 8.370 nan 0.000 0.423 690 S N -0.765 114.970 115.700 0.057 0.000 2.745 690 S HA 0.757 5.209 4.470 -0.030 0.000 0.292 690 S C 0.129 174.713 174.600 -0.026 0.000 1.127 690 S CA -0.733 57.490 58.200 0.037 0.000 1.007 690 S CB 1.670 64.907 63.200 0.060 0.000 1.165 690 S HN 0.146 nan 8.310 nan 0.000 0.544 691 L N 0.727 121.902 121.223 -0.081 0.000 2.408 691 L HA 0.677 5.000 4.340 -0.030 0.000 0.268 691 L C -0.463 176.290 176.870 -0.195 0.000 0.986 691 L CA -0.369 54.363 54.840 -0.180 0.000 0.820 691 L CB 1.596 43.499 42.059 -0.261 0.000 1.303 691 L HN 0.737 nan 8.230 nan 0.000 0.411 692 A N 4.648 127.335 122.820 -0.221 0.000 2.249 692 A HA 0.828 5.131 4.320 -0.030 0.000 0.314 692 A C -0.864 176.567 177.584 -0.254 0.000 1.290 692 A CA -0.314 51.592 52.037 -0.219 0.000 0.893 692 A CB 0.095 18.981 19.000 -0.191 0.000 1.165 692 A HN 0.622 nan 8.150 nan 0.000 0.530 693 L N 1.772 122.860 121.223 -0.225 0.000 2.333 693 L HA 0.871 5.193 4.340 -0.030 0.000 0.269 693 L C 0.252 177.036 176.870 -0.144 0.000 1.010 693 L CA -0.581 54.123 54.840 -0.226 0.000 0.818 693 L CB 2.194 44.123 42.059 -0.217 0.000 1.306 693 L HN 0.741 nan 8.230 nan 0.000 0.430 694 A N 1.590 124.345 122.820 -0.109 0.000 2.427 694 A HA 0.719 5.021 4.320 -0.030 0.000 0.298 694 A C -1.171 176.401 177.584 -0.020 0.000 1.036 694 A CA -0.695 51.313 52.037 -0.049 0.000 0.701 694 A CB 1.405 20.387 19.000 -0.030 0.000 1.250 694 A HN 0.847 nan 8.150 nan 0.000 0.412 695 N N 0.416 119.111 118.700 -0.008 0.000 2.741 695 N HA 0.372 5.094 4.740 -0.030 0.000 0.310 695 N C 0.317 175.848 175.510 0.034 0.000 1.295 695 N CA -0.478 52.574 53.050 0.003 0.000 0.893 695 N CB 0.263 38.746 38.487 -0.005 0.000 1.247 695 N HN 0.386 nan 8.380 nan 0.000 0.596 696 N N -1.493 117.229 118.700 0.037 0.000 2.571 696 N HA -0.080 4.642 4.740 -0.030 0.000 0.189 696 N C 0.348 175.895 175.510 0.062 0.000 1.154 696 N CA 0.933 54.019 53.050 0.060 0.000 0.907 696 N CB -0.350 38.170 38.487 0.056 0.000 0.977 696 N HN 0.642 nan 8.380 nan 0.000 0.449 697 S N -2.357 113.372 115.700 0.047 0.000 2.663 697 S HA 0.136 4.588 4.470 -0.030 0.000 0.247 697 S C 0.641 175.268 174.600 0.046 0.000 1.074 697 S CA 0.192 58.421 58.200 0.049 0.000 0.955 697 S CB -0.033 63.188 63.200 0.035 0.000 0.901 697 S HN 0.360 nan 8.310 nan 0.000 0.505 698 T N 0.415 114.988 114.554 0.031 0.000 2.901 698 T HA 0.696 5.028 4.350 -0.030 0.000 0.293 698 T C -1.275 173.427 174.700 0.004 0.000 1.084 698 T CA -0.828 61.285 62.100 0.020 0.000 1.008 698 T CB 1.916 70.789 68.868 0.009 0.000 1.170 698 T HN 0.300 nan 8.240 nan 0.000 0.509 699 L N 3.263 124.482 121.223 -0.006 0.000 2.381 699 L HA 0.727 5.049 4.340 -0.030 0.000 0.274 699 L C -0.610 176.228 176.870 -0.053 0.000 0.988 699 L CA -0.233 54.585 54.840 -0.036 0.000 0.824 699 L CB 1.393 43.434 42.059 -0.031 0.000 1.263 699 L HN 1.233 nan 8.230 nan 0.000 0.410 700 T N 3.034 117.540 114.554 -0.080 0.000 2.907 700 T HA 0.763 5.095 4.350 -0.030 0.000 0.292 700 T C -0.352 174.267 174.700 -0.134 0.000 1.043 700 T CA -0.657 61.391 62.100 -0.087 0.000 1.003 700 T CB 2.140 70.969 68.868 -0.065 0.000 1.084 700 T HN 0.470 nan 8.240 nan 0.000 0.483 701 I N 1.101 121.579 120.570 -0.153 0.000 2.569 701 I HA 0.793 4.945 4.170 -0.030 0.000 0.296 701 I C 0.609 176.690 176.117 -0.059 0.000 1.028 701 I CA -0.710 60.461 61.300 -0.215 0.000 1.082 701 I CB 2.134 39.818 38.000 -0.526 0.000 1.264 701 I HN 1.123 nan 8.210 nan 0.000 0.429 702 G N 2.477 111.282 108.800 0.008 0.000 2.428 702 G HA2 0.525 4.468 3.960 -0.030 0.000 0.304 702 G HA3 0.525 4.468 3.960 -0.030 0.000 0.304 702 G C -1.081 173.918 174.900 0.166 0.000 1.303 702 G CA -0.348 44.879 45.100 0.211 0.000 0.825 702 G HN 0.582 nan 8.290 nan 0.000 0.484 703 T N -1.944 112.757 114.554 0.247 0.000 2.936 703 T HA 0.776 5.109 4.350 -0.030 0.000 0.282 703 T C -0.270 174.484 174.700 0.092 0.000 1.003 703 T CA -0.671 61.538 62.100 0.183 0.000 1.005 703 T CB 1.996 71.028 68.868 0.274 0.000 1.097 703 T HN 0.841 nan 8.240 nan 0.000 0.532 704 I N 0.544 121.163 120.570 0.081 0.000 2.608 704 I HA 0.379 4.531 4.170 -0.030 0.000 0.295 704 I C -0.816 175.340 176.117 0.064 0.000 1.049 704 I CA -0.966 60.350 61.300 0.027 0.000 1.063 704 I CB 1.887 39.914 38.000 0.045 0.000 1.248 704 I HN 0.671 nan 8.210 nan 0.000 0.424 705 D N 5.491 125.891 120.400 -0.001 0.000 2.363 705 D HA 0.070 4.692 4.640 -0.030 0.000 0.240 705 D C -0.159 176.179 176.300 0.064 0.000 1.236 705 D CA 0.053 54.077 54.000 0.040 0.000 0.927 705 D CB 0.529 41.281 40.800 -0.081 0.000 1.150 705 D HN 0.470 nan 8.370 nan 0.000 0.458 706 E N -0.112 120.144 120.200 0.094 0.000 2.568 706 E HA -0.063 4.269 4.350 -0.030 0.000 0.262 706 E C -0.213 176.378 176.600 -0.015 0.000 0.961 706 E CA 0.093 56.524 56.400 0.051 0.000 0.945 706 E CB 0.407 30.148 29.700 0.068 0.000 0.924 706 E HN 0.173 nan 8.360 nan 0.000 0.467 707 I N 4.056 124.561 120.570 -0.107 0.000 2.347 707 I HA 0.027 4.179 4.170 -0.030 0.000 0.294 707 I C 0.182 176.049 176.117 -0.416 0.000 1.090 707 I CA 1.012 62.126 61.300 -0.311 0.000 1.314 707 I CB 0.173 37.906 38.000 -0.445 0.000 1.423 707 I HN 0.393 nan 8.210 nan 0.000 0.503 708 Q N 4.011 123.662 119.800 -0.248 0.000 2.522 708 Q HA 0.345 4.667 4.340 -0.030 0.000 0.285 708 Q C 0.441 176.471 176.000 0.051 0.000 0.982 708 Q CA -0.923 54.846 55.803 -0.057 0.000 0.805 708 Q CB 2.015 30.763 28.738 0.017 0.000 1.457 708 Q HN 0.247 nan 8.270 nan 0.000 0.394 709 K N 0.145 120.631 120.400 0.142 0.000 2.057 709 K HA 0.031 4.333 4.320 -0.030 0.000 0.207 709 K C 0.247 176.896 176.600 0.082 0.000 1.049 709 K CA 1.246 57.603 56.287 0.118 0.000 0.931 709 K CB 0.117 32.688 32.500 0.117 0.000 0.714 709 K HN 0.451 nan 8.250 nan 0.000 0.440 710 L N 0.594 121.864 121.223 0.078 0.000 2.365 710 L HA 0.252 4.574 4.340 -0.030 0.000 0.273 710 L C -0.426 176.499 176.870 0.091 0.000 1.000 710 L CA -0.976 53.908 54.840 0.074 0.000 0.819 710 L CB 1.721 43.809 42.059 0.049 0.000 1.284 710 L HN 0.067 nan 8.230 nan 0.000 0.418 711 H N 3.300 122.372 119.070 0.004 0.000 2.562 711 H HA 0.574 5.112 4.556 -0.030 0.000 0.314 711 H C -1.014 174.308 175.328 -0.011 0.000 1.079 711 H CA -0.082 55.966 56.048 0.000 0.000 1.349 711 H CB 0.898 30.665 29.762 0.008 0.000 1.432 711 H HN 0.398 nan 8.280 nan 0.000 0.479 712 I N 5.507 125.782 120.570 -0.492 0.000 2.410 712 I HA 0.280 4.432 4.170 -0.030 0.000 0.286 712 I C -0.407 175.427 176.117 -0.472 0.000 1.009 712 I CA -0.853 60.229 61.300 -0.363 0.000 1.111 712 I CB 1.491 39.374 38.000 -0.194 0.000 1.262 712 I HN 0.510 nan 8.210 nan 0.000 0.443 713 R N 4.385 124.667 120.500 -0.363 0.000 2.346 713 R HA 0.568 4.890 4.340 -0.030 0.000 0.311 713 R C -1.050 175.089 176.300 -0.268 0.000 0.983 713 R CA -0.022 55.907 56.100 -0.285 0.000 0.880 713 R CB 1.332 31.502 30.300 -0.217 0.000 1.100 713 R HN 0.546 nan 8.270 nan 0.000 0.453 714 T N 4.050 118.470 114.554 -0.224 0.000 2.779 714 T HA 0.359 4.691 4.350 -0.030 0.000 0.280 714 T C -0.935 173.636 174.700 -0.214 0.000 0.987 714 T CA -0.606 61.367 62.100 -0.213 0.000 0.966 714 T CB 1.448 70.216 68.868 -0.166 0.000 0.933 714 T HN 0.344 nan 8.240 nan 0.000 0.442 715 V N 6.754 126.522 119.914 -0.243 0.000 2.266 715 V HA 0.301 4.403 4.120 -0.030 0.000 0.271 715 V C -2.158 173.811 176.094 -0.208 0.000 1.032 715 V CA -2.107 60.073 62.300 -0.201 0.000 0.806 715 V CB 0.745 32.438 31.823 -0.216 0.000 1.052 715 V HN 0.693 nan 8.190 nan 0.000 0.449 716 P HA 0.159 nan 4.420 nan 0.000 0.268 716 P C 0.390 177.427 177.300 -0.438 0.000 1.204 716 P CA 0.242 63.054 63.100 -0.479 0.000 0.768 716 P CB 1.402 32.667 31.700 -0.724 0.000 0.842 717 L N 2.068 123.049 121.223 -0.403 0.000 2.575 717 L HA 0.138 4.460 4.340 -0.030 0.000 0.228 717 L C 0.479 177.335 176.870 -0.024 0.000 1.075 717 L CA -0.009 54.740 54.840 -0.151 0.000 0.867 717 L CB -0.459 41.543 42.059 -0.096 0.000 1.097 717 L HN 0.317 nan 8.230 nan 0.000 0.485 718 Y N 0.596 120.882 120.300 -0.023 0.000 4.604 718 Y HA -0.316 4.215 4.550 -0.030 0.000 0.230 718 Y C 0.579 176.477 175.900 -0.003 0.000 1.066 718 Y CA 0.806 58.900 58.100 -0.011 0.000 1.990 718 Y CB -2.253 36.200 38.460 -0.011 0.000 1.619 718 Y HN 0.531 nan 8.280 nan 0.000 0.649 719 E N -2.171 118.062 120.200 0.054 0.000 2.447 719 E HA 0.682 5.014 4.350 -0.030 0.000 0.279 719 E C -1.076 175.493 176.600 -0.051 0.000 1.053 719 E CA -1.040 55.376 56.400 0.027 0.000 0.840 719 E CB 1.244 30.954 29.700 0.016 0.000 1.409 719 E HN -0.093 nan 8.360 nan 0.000 0.461 720 S N 2.500 118.147 115.700 -0.087 0.000 2.448 720 S HA 0.317 4.769 4.470 -0.030 0.000 0.279 720 S C -2.161 172.358 174.600 -0.136 0.000 1.195 720 S CA -0.868 57.234 58.200 -0.164 0.000 1.051 720 S CB 0.308 63.364 63.200 -0.241 0.000 0.948 720 S HN 0.316 nan 8.310 nan 0.000 0.493 721 P HA 0.404 nan 4.420 nan 0.000 0.281 721 P C -0.176 177.083 177.300 -0.067 0.000 1.249 721 P CA -0.607 62.443 63.100 -0.082 0.000 0.810 721 P CB 1.393 33.049 31.700 -0.075 0.000 1.008 722 R N 0.437 120.920 120.500 -0.028 0.000 2.428 722 R HA 0.259 4.581 4.340 -0.030 0.000 0.193 722 R C 0.258 176.589 176.300 0.051 0.000 0.852 722 R CA 0.174 56.279 56.100 0.009 0.000 1.055 722 R CB 0.390 30.699 30.300 0.015 0.000 1.343 722 R HN 0.374 nan 8.270 nan 0.000 0.655 723 K N 0.732 121.167 120.400 0.057 0.000 2.508 723 K HA 0.468 4.770 4.320 -0.030 0.000 0.260 723 K C -1.530 175.125 176.600 0.091 0.000 0.949 723 K CA -0.592 55.748 56.287 0.089 0.000 0.834 723 K CB 2.973 35.541 32.500 0.113 0.000 1.365 723 K HN -0.050 nan 8.250 nan 0.000 0.437 724 I N 0.206 120.850 120.570 0.124 0.000 2.656 724 I HA 0.446 4.598 4.170 -0.030 0.000 0.292 724 I C -1.585 174.679 176.117 0.244 0.000 1.144 724 I CA -0.455 60.946 61.300 0.167 0.000 1.038 724 I CB 1.564 39.638 38.000 0.122 0.000 1.244 724 I HN 0.611 nan 8.210 nan 0.000 0.420 725 C N 5.781 125.278 119.300 0.327 0.000 2.609 725 C HA 0.450 4.892 4.460 -0.030 0.000 0.313 725 C C -0.917 174.340 174.990 0.445 0.000 1.175 725 C CA -0.544 58.689 59.018 0.357 0.000 1.434 725 C CB 1.609 29.537 27.740 0.314 0.000 2.005 725 C HN 0.651 nan 8.230 nan 0.000 0.471 726 Y N 2.535 122.950 120.300 0.193 0.000 2.308 726 Y HA 0.474 5.006 4.550 -0.030 0.000 0.329 726 Y C 0.205 176.040 175.900 -0.107 0.000 1.111 726 Y CA 0.084 58.134 58.100 -0.084 0.000 1.179 726 Y CB 0.724 39.094 38.460 -0.150 0.000 1.201 726 Y HN 0.708 nan 8.280 nan 0.000 0.483 727 Q N 5.795 125.057 119.800 -0.898 0.000 2.523 727 Q HA 0.178 4.500 4.340 -0.030 0.000 0.251 727 Q C 0.654 176.014 176.000 -1.066 0.000 1.033 727 Q CA -0.446 54.863 55.803 -0.823 0.000 0.746 727 Q CB 0.770 29.119 28.738 -0.649 0.000 1.189 727 Q HN 0.893 nan 8.270 nan 0.000 0.508 728 E N 1.014 120.568 120.200 -1.076 0.000 2.119 728 E HA -0.269 4.063 4.350 -0.030 0.000 0.221 728 E C 1.577 177.973 176.600 -0.341 0.000 1.062 728 E CA 2.551 58.601 56.400 -0.584 0.000 0.894 728 E CB -0.102 29.468 29.700 -0.218 0.000 0.785 728 E HN 0.656 nan 8.360 nan 0.000 0.472 729 V N -1.918 117.831 119.914 -0.275 0.000 3.078 729 V HA -0.044 4.058 4.120 -0.030 0.000 0.265 729 V C 1.694 177.708 176.094 -0.135 0.000 1.122 729 V CA 1.848 64.045 62.300 -0.172 0.000 1.141 729 V CB 0.147 31.871 31.823 -0.164 0.000 0.735 729 V HN 0.006 nan 8.190 nan 0.000 0.498 730 S N -0.793 114.808 115.700 -0.164 0.000 2.539 730 S HA 0.196 4.648 4.470 -0.030 0.000 0.221 730 S C 0.468 175.040 174.600 -0.048 0.000 0.987 730 S CA -0.067 58.115 58.200 -0.029 0.000 0.929 730 S CB -0.035 63.224 63.200 0.098 0.000 0.832 730 S HN 0.703 nan 8.310 nan 0.000 0.492 731 Q N -0.085 119.614 119.800 -0.169 0.000 2.451 731 Q HA -0.198 4.124 4.340 -0.030 0.000 0.305 731 Q C -0.626 175.262 176.000 -0.186 0.000 1.345 731 Q CA 0.511 56.220 55.803 -0.157 0.000 0.854 731 Q CB -2.448 26.256 28.738 -0.057 0.000 1.162 731 Q HN 0.564 nan 8.270 nan 0.000 0.440 732 C N -0.791 118.343 119.300 -0.277 0.000 3.173 732 C HA 0.748 5.190 4.460 -0.030 0.000 0.310 732 C C -0.232 174.608 174.990 -0.250 0.000 1.306 732 C CA -0.819 58.077 59.018 -0.203 0.000 1.426 732 C CB 1.746 29.399 27.740 -0.145 0.000 1.800 732 C HN 0.407 nan 8.230 nan 0.000 0.470 733 F N 0.892 120.856 119.950 0.024 0.000 2.458 733 F HA 0.615 5.125 4.527 -0.029 0.000 0.330 733 F C 0.909 176.692 175.800 -0.029 0.000 1.082 733 F CA -0.057 58.009 58.000 0.109 0.000 0.995 733 F CB 1.307 40.373 39.000 0.110 0.000 1.170 733 F HN 0.701 nan 8.300 nan 0.000 0.478 734 G N 1.330 110.238 108.800 0.180 0.000 2.343 734 G HA2 0.575 4.517 3.960 -0.030 0.000 0.319 734 G HA3 0.575 4.517 3.960 -0.030 0.000 0.319 734 G C -1.705 173.194 174.900 -0.002 0.000 1.126 734 G CA -0.540 44.418 45.100 -0.237 0.000 0.889 734 G HN 0.479 nan 8.290 nan 0.000 0.457 735 V N 3.708 123.585 119.914 -0.061 0.000 2.483 735 V HA 0.343 4.445 4.120 -0.030 0.000 0.297 735 V C 0.106 176.197 176.094 -0.005 0.000 1.027 735 V CA -0.676 61.625 62.300 0.002 0.000 0.855 735 V CB 1.579 33.404 31.823 0.003 0.000 0.995 735 V HN 0.640 nan 8.190 nan 0.000 0.424 736 L N 4.656 125.900 121.223 0.035 0.000 2.380 736 L HA 0.663 4.985 4.340 -0.030 0.000 0.273 736 L C 0.474 177.350 176.870 0.010 0.000 1.138 736 L CA 0.352 55.227 54.840 0.059 0.000 0.832 736 L CB 1.410 43.517 42.059 0.080 0.000 1.124 736 L HN 0.875 nan 8.230 nan 0.000 0.454 737 S N 1.213 116.908 115.700 -0.008 0.000 2.607 737 S HA 0.818 5.270 4.470 -0.030 0.000 0.273 737 S C -0.797 173.679 174.600 -0.208 0.000 1.148 737 S CA -0.672 57.474 58.200 -0.090 0.000 0.833 737 S CB 2.171 65.333 63.200 -0.064 0.000 1.130 737 S HN 0.631 nan 8.310 nan 0.000 0.470 738 S N 0.474 115.992 115.700 -0.303 0.000 2.540 738 S HA 0.826 5.278 4.470 -0.030 0.000 0.275 738 S C -0.818 173.657 174.600 -0.208 0.000 1.123 738 S CA -1.104 56.825 58.200 -0.453 0.000 0.907 738 S CB 1.556 64.144 63.200 -1.020 0.000 1.081 738 S HN 1.204 nan 8.310 nan 0.000 0.476 739 R N 1.315 121.735 120.500 -0.135 0.000 2.803 739 R HA 0.759 5.081 4.340 -0.030 0.000 0.276 739 R C -1.262 175.032 176.300 -0.011 0.000 0.978 739 R CA -0.989 55.091 56.100 -0.033 0.000 0.939 739 R CB 1.031 31.323 30.300 -0.012 0.000 1.179 739 R HN 0.635 nan 8.270 nan 0.000 0.472 740 I N 1.611 122.199 120.570 0.029 0.000 2.396 740 I HA 0.225 4.378 4.170 -0.030 0.000 0.292 740 I C -0.037 176.087 176.117 0.013 0.000 0.999 740 I CA -0.252 61.063 61.300 0.025 0.000 1.310 740 I CB 1.519 39.530 38.000 0.019 0.000 1.404 740 I HN 0.594 nan 8.210 nan 0.000 0.496 741 E N 5.147 125.355 120.200 0.014 0.000 2.317 741 E HA 0.494 4.826 4.350 -0.030 0.000 0.270 741 E C -1.267 175.339 176.600 0.010 0.000 0.885 741 E CA -0.880 55.526 56.400 0.010 0.000 0.760 741 E CB 2.928 32.635 29.700 0.013 0.000 1.227 741 E HN 0.371 nan 8.360 nan 0.000 0.434 742 V N -0.054 119.863 119.914 0.005 0.000 2.612 742 V HA 0.364 4.466 4.120 -0.030 0.000 0.301 742 V C -0.033 176.067 176.094 0.009 0.000 1.046 742 V CA -1.107 61.196 62.300 0.005 0.000 0.946 742 V CB 1.440 33.263 31.823 -0.000 0.000 1.003 742 V HN 0.589 nan 8.190 nan 0.000 0.459 743 Q N 2.256 122.063 119.800 0.011 0.000 2.247 743 Q HA 0.129 4.451 4.340 -0.030 0.000 0.288 743 Q C -0.462 175.544 176.000 0.010 0.000 1.079 743 Q CA 0.800 56.611 55.803 0.013 0.000 0.932 743 Q CB 0.093 28.840 28.738 0.014 0.000 1.133 743 Q HN 0.917 nan 8.270 nan 0.000 0.377 744 D N 1.279 121.686 120.400 0.010 0.000 2.225 744 D HA 0.085 4.707 4.640 -0.030 0.000 0.248 744 D C 0.718 177.022 176.300 0.008 0.000 1.096 744 D CA 0.096 54.100 54.000 0.007 0.000 0.863 744 D CB 1.234 42.038 40.800 0.007 0.000 1.156 744 D HN 0.675 nan 8.370 nan 0.000 0.450 745 T N 0.206 114.763 114.554 0.006 0.000 2.778 745 T HA -0.247 4.085 4.350 -0.030 0.000 0.269 745 T C 1.861 176.564 174.700 0.006 0.000 1.050 745 T CA 1.701 63.804 62.100 0.006 0.000 1.137 745 T CB -0.450 68.420 68.868 0.004 0.000 0.860 745 T HN 0.357 nan 8.240 nan 0.000 0.468 746 S N 1.019 116.722 115.700 0.006 0.000 2.399 746 S HA 0.265 4.717 4.470 -0.030 0.000 0.231 746 S C 1.979 176.585 174.600 0.009 0.000 1.022 746 S CA 1.246 59.450 58.200 0.007 0.000 0.983 746 S CB -0.701 62.502 63.200 0.005 0.000 0.803 746 S HN 1.119 nan 8.310 nan 0.000 0.480 747 G N -0.034 108.772 108.800 0.011 0.000 3.967 747 G HA2 0.193 4.135 3.960 -0.030 0.000 0.210 747 G HA3 0.193 4.135 3.960 -0.030 0.000 0.210 747 G C 0.496 175.406 174.900 0.017 0.000 1.127 747 G CA 0.077 45.185 45.100 0.014 0.000 0.887 747 G HN 0.873 nan 8.290 nan 0.000 0.367 748 G N 0.128 108.938 108.800 0.016 0.000 2.666 748 G HA2 0.578 4.520 3.960 -0.030 0.000 0.207 748 G HA3 0.578 4.520 3.960 -0.030 0.000 0.207 748 G C 0.292 175.202 174.900 0.017 0.000 1.481 748 G CA 1.076 46.186 45.100 0.018 0.000 1.071 748 G HN 1.405 nan 8.290 nan 0.000 0.572 749 T N -2.726 111.838 114.554 0.016 0.000 2.893 749 T HA 0.656 4.988 4.350 -0.030 0.000 0.291 749 T C -0.382 174.323 174.700 0.009 0.000 1.028 749 T CA -0.235 61.873 62.100 0.014 0.000 0.995 749 T CB 1.717 70.597 68.868 0.020 0.000 1.051 749 T HN 0.944 nan 8.240 nan 0.000 0.470 750 T N -0.717 113.840 114.554 0.005 0.000 2.907 750 T HA 0.807 5.139 4.350 -0.030 0.000 0.292 750 T C 0.096 174.795 174.700 -0.002 0.000 1.043 750 T CA -0.875 61.225 62.100 0.000 0.000 1.003 750 T CB 1.424 70.291 68.868 -0.003 0.000 1.084 750 T HN 1.138 nan 8.240 nan 0.000 0.483 751 A N 1.730 124.547 122.820 -0.005 0.000 2.351 751 A HA 0.617 4.919 4.320 -0.030 0.000 0.257 751 A C 1.314 178.893 177.584 -0.009 0.000 1.087 751 A CA -0.836 51.198 52.037 -0.006 0.000 0.798 751 A CB -0.131 18.864 19.000 -0.009 0.000 1.033 751 A HN 0.956 nan 8.150 nan 0.000 0.488 752 L N 0.389 121.609 121.223 -0.006 0.000 2.156 752 L HA 0.065 4.387 4.340 -0.030 0.000 0.208 752 L C 1.324 178.183 176.870 -0.018 0.000 1.095 752 L CA 1.200 56.034 54.840 -0.009 0.000 0.770 752 L CB -0.462 41.594 42.059 -0.005 0.000 0.914 752 L HN 0.896 nan 8.230 nan 0.000 0.439 753 R N -1.587 118.900 120.500 -0.021 0.000 2.716 753 R HA 0.498 4.820 4.340 -0.030 0.000 0.271 753 R C -3.023 173.246 176.300 -0.051 0.000 1.028 753 R CA -1.676 54.397 56.100 -0.045 0.000 0.883 753 R CB 0.130 30.401 30.300 -0.048 0.000 1.250 753 R HN -0.339 nan 8.270 nan 0.000 0.465 754 P HA 0.202 nan 4.420 nan 0.000 0.271 754 P C -0.916 176.344 177.300 -0.068 0.000 1.218 754 P CA -0.224 62.828 63.100 -0.081 0.000 0.780 754 P CB 1.113 32.744 31.700 -0.114 0.000 0.901 755 S N -0.267 115.431 115.700 -0.003 0.000 2.752 755 S HA 0.652 5.105 4.470 -0.030 0.000 0.284 755 S C 0.981 175.626 174.600 0.074 0.000 1.189 755 S CA -0.213 58.040 58.200 0.087 0.000 0.835 755 S CB 0.888 64.146 63.200 0.097 0.000 1.192 755 S HN 0.308 nan 8.310 nan 0.000 0.506 756 A N 1.537 124.416 122.820 0.098 0.000 1.917 756 A HA -0.084 4.218 4.320 -0.030 0.000 0.219 756 A C 2.316 179.904 177.584 0.006 0.000 1.182 756 A CA 2.729 54.798 52.037 0.054 0.000 0.633 756 A CB -1.691 17.331 19.000 0.036 0.000 0.819 756 A HN 1.578 nan 8.150 nan 0.000 0.448 757 S N -0.808 114.887 115.700 -0.010 0.000 2.428 757 S HA -0.112 4.340 4.470 -0.030 0.000 0.230 757 S C 1.766 176.335 174.600 -0.051 0.000 1.014 757 S CA 1.678 59.853 58.200 -0.042 0.000 0.957 757 S CB -1.046 62.127 63.200 -0.044 0.000 0.784 757 S HN 0.838 nan 8.310 nan 0.000 0.499 758 T N -1.414 113.121 114.554 -0.031 0.000 3.081 758 T HA 0.233 4.565 4.350 -0.030 0.000 0.250 758 T C 1.180 175.860 174.700 -0.033 0.000 1.100 758 T CA -0.014 62.065 62.100 -0.036 0.000 1.038 758 T CB -0.234 68.617 68.868 -0.029 0.000 0.962 758 T HN 0.484 nan 8.240 nan 0.000 0.516 759 Q N 0.660 120.447 119.800 -0.022 0.000 2.157 759 Q HA 0.562 4.884 4.340 -0.030 0.000 0.229 759 Q C 0.207 176.201 176.000 -0.010 0.000 0.827 759 Q CA -0.549 55.246 55.803 -0.013 0.000 1.055 759 Q CB 1.065 29.804 28.738 0.002 0.000 1.157 759 Q HN 0.620 nan 8.270 nan 0.000 0.482 760 A N 0.366 123.167 122.820 -0.032 0.000 2.351 760 A HA 0.202 4.504 4.320 -0.030 0.000 0.257 760 A C 1.039 178.611 177.584 -0.019 0.000 1.087 760 A CA -0.287 51.730 52.037 -0.033 0.000 0.798 760 A CB 0.414 19.359 19.000 -0.091 0.000 1.033 760 A HN 0.467 nan 8.150 nan 0.000 0.488 761 L N 0.909 122.141 121.223 0.015 0.000 2.012 761 L HA -0.134 4.188 4.340 -0.030 0.000 0.210 761 L C 1.329 178.219 176.870 0.033 0.000 1.073 761 L CA 1.959 56.821 54.840 0.036 0.000 0.748 761 L CB -0.300 41.801 42.059 0.070 0.000 0.891 761 L HN 0.913 nan 8.230 nan 0.000 0.431 762 S N -1.897 113.826 115.700 0.038 0.000 2.599 762 S HA 0.675 5.127 4.470 -0.030 0.000 0.287 762 S C -0.543 173.888 174.600 -0.281 0.000 1.105 762 S CA -0.437 57.779 58.200 0.027 0.000 0.899 762 S CB 2.322 65.656 63.200 0.223 0.000 1.100 762 S HN 0.184 nan 8.310 nan 0.000 0.482 763 S N 0.202 115.740 115.700 -0.270 0.000 2.618 763 S HA 0.923 5.376 4.470 -0.030 0.000 0.277 763 S C -0.880 173.631 174.600 -0.148 0.000 1.138 763 S CA -0.511 57.420 58.200 -0.449 0.000 0.844 763 S CB 1.348 64.399 63.200 -0.250 0.000 1.127 763 S HN 1.905 nan 8.310 nan 0.000 0.474 764 S N -0.271 115.375 115.700 -0.090 0.000 2.541 764 S HA 0.772 5.224 4.470 -0.030 0.000 0.271 764 S C -0.644 173.903 174.600 -0.088 0.000 1.133 764 S CA -0.481 57.776 58.200 0.096 0.000 0.876 764 S CB 0.836 64.272 63.200 0.392 0.000 1.105 764 S HN 2.029 nan 8.310 nan 0.000 0.470 765 V N -0.533 119.336 119.914 -0.074 0.000 2.715 765 V HA 0.798 4.900 4.120 -0.030 0.000 0.310 765 V C 0.090 176.142 176.094 -0.070 0.000 1.054 765 V CA -0.655 61.528 62.300 -0.195 0.000 0.928 765 V CB 1.461 33.227 31.823 -0.095 0.000 1.007 765 V HN 0.918 nan 8.190 nan 0.000 0.437 766 S N 3.170 118.793 115.700 -0.127 0.000 2.533 766 S HA 0.403 4.855 4.470 -0.030 0.000 0.282 766 S C 0.425 175.097 174.600 0.119 0.000 1.304 766 S CA 0.058 58.336 58.200 0.130 0.000 1.063 766 S CB 0.228 63.548 63.200 0.199 0.000 0.881 766 S HN 1.303 nan 8.310 nan 0.000 0.493 767 S N 2.616 118.398 115.700 0.137 0.000 2.478 767 S HA 0.734 5.186 4.470 -0.030 0.000 0.312 767 S C -0.510 174.151 174.600 0.103 0.000 1.094 767 S CA -0.738 57.524 58.200 0.103 0.000 1.081 767 S CB 1.593 64.841 63.200 0.080 0.000 1.007 767 S HN 0.437 nan 8.310 nan 0.000 0.475 768 S N 1.209 116.968 115.700 0.099 0.000 2.566 768 S HA 0.429 4.881 4.470 -0.030 0.000 0.273 768 S C 0.174 174.802 174.600 0.048 0.000 1.157 768 S CA -0.759 57.485 58.200 0.073 0.000 0.938 768 S CB 1.743 65.015 63.200 0.120 0.000 1.087 768 S HN 0.898 nan 8.310 nan 0.000 0.474 769 K N 4.087 124.484 120.400 -0.006 0.000 2.314 769 K HA 0.265 4.567 4.320 -0.030 0.000 0.198 769 K C 1.424 177.974 176.600 -0.083 0.000 1.045 769 K CA 0.588 56.864 56.287 -0.018 0.000 0.988 769 K CB -0.187 32.301 32.500 -0.021 0.000 0.783 769 K HN 0.739 nan 8.250 nan 0.000 0.484 770 L N 0.484 121.579 121.223 -0.214 0.000 2.103 770 L HA -0.177 4.145 4.340 -0.030 0.000 0.215 770 L C 0.635 177.148 176.870 -0.594 0.000 1.080 770 L CA 1.294 55.831 54.840 -0.506 0.000 0.764 770 L CB -0.531 41.023 42.059 -0.842 0.000 0.890 770 L HN 0.086 nan 8.230 nan 0.000 0.435 785 E N 1.605 121.811 120.200 0.011 0.000 2.283 785 E HA 0.442 4.774 4.350 -0.030 0.000 0.278 785 E C -1.307 175.311 176.600 0.030 0.000 1.027 785 E CA -0.433 55.974 56.400 0.012 0.000 0.843 785 E CB 1.279 30.978 29.700 -0.002 0.000 1.062 785 E HN 0.157 nan 8.360 nan 0.000 0.401 786 V N 4.208 124.143 119.914 0.035 0.000 2.709 786 V HA 0.229 4.331 4.120 -0.030 0.000 0.308 786 V C -0.566 175.564 176.094 0.061 0.000 1.062 786 V CA -0.835 61.497 62.300 0.053 0.000 0.901 786 V CB 2.002 33.854 31.823 0.048 0.000 1.003 786 V HN 0.750 nan 8.190 nan 0.000 0.425 787 E N 2.201 122.457 120.200 0.093 0.000 2.301 787 E HA 0.584 4.916 4.350 -0.030 0.000 0.275 787 E C -1.299 175.377 176.600 0.128 0.000 1.030 787 E CA -0.408 56.050 56.400 0.097 0.000 0.852 787 E CB 2.183 31.979 29.700 0.159 0.000 1.060 787 E HN 0.401 nan 8.360 nan 0.000 0.401 788 V N 4.237 124.189 119.914 0.065 0.000 2.483 788 V HA 0.193 4.295 4.120 -0.030 0.000 0.297 788 V C -0.493 175.627 176.094 0.043 0.000 1.027 788 V CA -0.704 61.654 62.300 0.097 0.000 0.855 788 V CB 1.352 33.202 31.823 0.043 0.000 0.995 788 V HN 0.663 nan 8.190 nan 0.000 0.424 789 H N 4.124 123.217 119.070 0.038 0.000 2.479 789 H HA 0.569 5.107 4.556 -0.030 0.000 0.335 789 H C -0.770 174.714 175.328 0.260 0.000 1.142 789 H CA -0.633 55.464 56.048 0.081 0.000 1.234 789 H CB 2.136 31.891 29.762 -0.011 0.000 1.503 789 H HN 0.588 nan 8.280 nan 0.000 0.510 790 N N 1.486 120.376 118.700 0.317 0.000 2.329 790 N HA 0.144 4.866 4.740 -0.030 0.000 0.282 790 N C -1.503 174.162 175.510 0.259 0.000 1.198 790 N CA -0.751 52.421 53.050 0.203 0.000 0.790 790 N CB 3.131 41.625 38.487 0.011 0.000 1.579 790 N HN 0.241 nan 8.380 nan 0.000 0.475 791 L N 2.035 123.323 121.223 0.109 0.000 2.287 791 L HA 0.544 4.866 4.340 -0.030 0.000 0.287 791 L C -1.296 175.500 176.870 -0.124 0.000 1.022 791 L CA -0.337 54.503 54.840 -0.001 0.000 0.814 791 L CB 0.618 42.594 42.059 -0.139 0.000 1.217 791 L HN 0.392 nan 8.230 nan 0.000 0.420 792 L N 5.942 127.091 121.223 -0.124 0.000 2.309 792 L HA 0.514 4.836 4.340 -0.030 0.000 0.282 792 L C -0.591 176.150 176.870 -0.215 0.000 1.036 792 L CA -0.739 54.024 54.840 -0.128 0.000 0.806 792 L CB 1.598 43.616 42.059 -0.069 0.000 1.220 792 L HN 0.431 nan 8.230 nan 0.000 0.429 793 I N 4.545 124.986 120.570 -0.214 0.000 2.330 793 I HA 0.357 4.510 4.170 -0.030 0.000 0.286 793 I C -0.111 175.904 176.117 -0.170 0.000 1.025 793 I CA -0.367 60.737 61.300 -0.327 0.000 1.197 793 I CB 1.111 38.777 38.000 -0.558 0.000 1.358 793 I HN 0.430 nan 8.210 nan 0.000 0.467 794 I N 5.334 125.849 120.570 -0.091 0.000 2.354 794 I HA 0.203 4.355 4.170 -0.030 0.000 0.292 794 I C 0.659 176.751 176.117 -0.042 0.000 0.989 794 I CA -0.350 60.945 61.300 -0.009 0.000 1.188 794 I CB 1.235 39.284 38.000 0.082 0.000 1.342 794 I HN 0.455 nan 8.210 nan 0.000 0.457 795 D N 5.459 125.814 120.400 -0.075 0.000 2.455 795 D HA -0.039 4.583 4.640 -0.030 0.000 0.241 795 D C 0.939 177.033 176.300 -0.343 0.000 1.138 795 D CA 0.019 53.946 54.000 -0.122 0.000 0.877 795 D CB 1.160 41.943 40.800 -0.030 0.000 1.187 795 D HN 0.736 nan 8.370 nan 0.000 0.451 796 Q N 3.210 122.798 119.800 -0.354 0.000 2.369 796 Q HA -0.152 4.170 4.340 -0.030 0.000 0.206 796 Q C 0.711 176.363 176.000 -0.580 0.000 0.963 796 Q CA 1.153 56.655 55.803 -0.502 0.000 0.894 796 Q CB 0.113 28.633 28.738 -0.364 0.000 0.965 796 Q HN 0.548 nan 8.270 nan 0.000 0.475 797 H N 0.726 119.703 119.070 -0.155 0.000 2.334 797 H HA 0.051 4.589 4.556 -0.030 0.000 0.315 797 H C 2.266 177.666 175.328 0.119 0.000 1.056 797 H CA 1.995 58.057 56.048 0.023 0.000 1.418 797 H CB -0.319 29.469 29.762 0.043 0.000 1.464 797 H HN 0.526 nan 8.280 nan 0.000 0.587 798 T N -1.630 113.045 114.554 0.202 0.000 3.023 798 T HA -0.054 4.279 4.350 -0.030 0.000 0.266 798 T C 0.714 175.591 174.700 0.295 0.000 1.093 798 T CA 0.250 62.478 62.100 0.214 0.000 1.129 798 T CB -0.521 68.433 68.868 0.143 0.000 0.899 798 T HN 0.252 nan 8.240 nan 0.000 0.491 799 F N 1.205 121.217 119.950 0.104 0.000 3.069 799 F HA -0.163 4.346 4.527 -0.029 0.000 0.285 799 F C 0.489 176.319 175.800 0.050 0.000 0.827 799 F CA 0.388 58.431 58.000 0.071 0.000 1.108 799 F CB -2.244 36.775 39.000 0.033 0.000 1.252 799 F HN 0.352 nan 8.300 nan 0.000 0.483 800 E N -0.436 119.853 120.200 0.148 0.000 2.349 800 E HA 0.399 4.731 4.350 -0.030 0.000 0.262 800 E C -0.101 176.543 176.600 0.074 0.000 1.088 800 E CA -0.526 55.939 56.400 0.108 0.000 0.899 800 E CB 1.077 30.831 29.700 0.090 0.000 1.044 800 E HN 0.016 nan 8.360 nan 0.000 0.420 801 V N 5.002 124.953 119.914 0.062 0.000 2.338 801 V HA -0.007 4.095 4.120 -0.030 0.000 0.255 801 V C 1.179 177.295 176.094 0.037 0.000 1.082 801 V CA 0.226 62.547 62.300 0.035 0.000 0.951 801 V CB -0.192 31.645 31.823 0.022 0.000 1.102 801 V HN 0.678 nan 8.190 nan 0.000 0.489 802 L N 2.682 123.932 121.223 0.044 0.000 2.109 802 L HA 0.071 4.393 4.340 -0.030 0.000 0.207 802 L C 0.914 177.882 176.870 0.163 0.000 1.086 802 L CA 1.276 56.177 54.840 0.101 0.000 0.760 802 L CB -0.182 41.952 42.059 0.124 0.000 0.910 802 L HN 0.696 nan 8.230 nan 0.000 0.437 803 H N -1.454 117.609 119.070 -0.012 0.000 3.038 803 H HA 0.622 5.161 4.556 -0.030 0.000 0.362 803 H C -1.450 173.839 175.328 -0.065 0.000 1.167 803 H CA -0.476 55.568 56.048 -0.006 0.000 1.197 803 H CB 1.672 31.467 29.762 0.056 0.000 1.840 803 H HN -0.032 nan 8.280 nan 0.000 0.540 804 A N 3.440 125.993 122.820 -0.445 0.000 2.332 804 A HA 0.386 4.688 4.320 -0.030 0.000 0.300 804 A C -1.571 175.836 177.584 -0.293 0.000 1.153 804 A CA -0.566 51.310 52.037 -0.268 0.000 0.764 804 A CB 0.274 19.155 19.000 -0.198 0.000 1.174 804 A HN 0.820 nan 8.150 nan 0.000 0.467 805 H N 1.780 120.692 119.070 -0.263 0.000 2.556 805 H HA 0.453 4.991 4.556 -0.030 0.000 0.310 805 H C 0.081 175.167 175.328 -0.404 0.000 1.057 805 H CA 0.057 55.917 56.048 -0.312 0.000 1.264 805 H CB 0.782 30.284 29.762 -0.434 0.000 1.404 805 H HN 0.736 nan 8.280 nan 0.000 0.462 806 Q N 4.661 124.027 119.800 -0.723 0.000 2.288 806 Q HA 0.220 4.542 4.340 -0.030 0.000 0.254 806 Q C -0.813 174.786 176.000 -0.668 0.000 0.932 806 Q CA -0.544 54.960 55.803 -0.497 0.000 0.902 806 Q CB 0.669 29.254 28.738 -0.256 0.000 1.203 806 Q HN 0.565 nan 8.270 nan 0.000 0.415 807 F N 1.628 121.533 119.950 -0.075 0.000 2.348 807 F HA 0.297 4.806 4.527 -0.030 0.000 0.308 807 F C 0.465 176.287 175.800 0.035 0.000 1.175 807 F CA -0.757 57.273 58.000 0.049 0.000 1.080 807 F CB 0.446 39.518 39.000 0.120 0.000 1.341 807 F HN 0.396 nan 8.300 nan 0.000 0.518 808 L N 0.533 121.936 121.223 0.299 0.000 2.473 808 L HA 0.089 4.411 4.340 -0.030 0.000 0.268 808 L C 0.422 177.367 176.870 0.124 0.000 1.215 808 L CA -0.363 54.588 54.840 0.185 0.000 0.823 808 L CB 0.020 42.208 42.059 0.215 0.000 1.099 808 L HN 0.468 nan 8.230 nan 0.000 0.483 809 Q N 2.320 122.179 119.800 0.098 0.000 2.269 809 Q HA -0.105 4.217 4.340 -0.030 0.000 0.300 809 Q C 0.053 176.067 176.000 0.024 0.000 1.070 809 Q CA 0.465 56.311 55.803 0.072 0.000 0.957 809 Q CB 0.156 28.944 28.738 0.084 0.000 1.131 809 Q HN 0.594 nan 8.270 nan 0.000 0.377 810 N N 1.543 120.241 118.700 -0.002 0.000 2.800 810 N HA -0.205 4.517 4.740 -0.030 0.000 0.250 810 N C -0.655 174.737 175.510 -0.195 0.000 1.078 810 N CA 1.114 54.103 53.050 -0.102 0.000 0.804 810 N CB -0.698 37.680 38.487 -0.182 0.000 1.135 810 N HN 0.664 nan 8.380 nan 0.000 0.565 811 E N 0.122 120.252 120.200 -0.117 0.000 2.146 811 E HA 0.233 4.565 4.350 -0.030 0.000 0.282 811 E C -1.115 175.293 176.600 -0.320 0.000 0.989 811 E CA -0.513 55.785 56.400 -0.170 0.000 0.799 811 E CB 0.570 30.253 29.700 -0.028 0.000 1.088 811 E HN 0.191 nan 8.360 nan 0.000 0.397 812 Y N 3.281 123.225 120.300 -0.593 0.000 2.353 812 Y HA 0.464 4.996 4.550 -0.030 0.000 0.340 812 Y C -0.456 175.040 175.900 -0.674 0.000 0.972 812 Y CA -0.777 56.739 58.100 -0.974 0.000 1.157 812 Y CB 1.151 39.274 38.460 -0.562 0.000 1.157 812 Y HN 0.620 nan 8.280 nan 0.000 0.495 813 A N 6.969 129.451 122.820 -0.563 0.000 2.309 813 A HA 0.413 4.715 4.320 -0.030 0.000 0.290 813 A C -0.211 177.348 177.584 -0.043 0.000 1.206 813 A CA -0.312 51.516 52.037 -0.348 0.000 0.850 813 A CB 0.297 19.001 19.000 -0.493 0.000 1.118 813 A HN 1.077 nan 8.150 nan 0.000 0.523 814 L N 1.937 123.155 121.223 -0.008 0.000 2.577 814 L HA 0.166 4.488 4.340 -0.030 0.000 0.225 814 L C 0.840 177.770 176.870 0.100 0.000 1.053 814 L CA 0.717 55.615 54.840 0.098 0.000 0.866 814 L CB 0.357 42.439 42.059 0.038 0.000 1.132 814 L HN 0.791 nan 8.230 nan 0.000 0.486 815 S N -0.261 115.480 115.700 0.067 0.000 2.569 815 S HA 0.753 5.205 4.470 -0.030 0.000 0.280 815 S C -1.121 173.548 174.600 0.115 0.000 1.111 815 S CA -0.669 57.593 58.200 0.103 0.000 0.887 815 S CB 2.850 66.111 63.200 0.102 0.000 1.095 815 S HN 0.000 nan 8.310 nan 0.000 0.476 816 L N 1.564 122.873 121.223 0.144 0.000 2.493 816 L HA 0.832 5.154 4.340 -0.030 0.000 0.265 816 L C -1.811 175.172 176.870 0.187 0.000 0.954 816 L CA -0.304 54.644 54.840 0.180 0.000 0.844 816 L CB 1.890 44.057 42.059 0.180 0.000 1.302 816 L HN 0.756 nan 8.230 nan 0.000 0.405 817 V N 2.298 122.332 119.914 0.200 0.000 2.962 817 V HA 0.767 4.869 4.120 -0.030 0.000 0.313 817 V C -0.614 175.584 176.094 0.174 0.000 1.099 817 V CA -0.652 61.749 62.300 0.168 0.000 0.971 817 V CB 2.101 33.994 31.823 0.117 0.000 1.028 817 V HN 0.785 nan 8.190 nan 0.000 0.430 818 S N 2.035 117.788 115.700 0.088 0.000 2.552 818 S HA 0.827 5.279 4.470 -0.030 0.000 0.314 818 S C -0.683 173.856 174.600 -0.101 0.000 1.099 818 S CA -0.144 58.005 58.200 -0.085 0.000 1.070 818 S CB 0.584 63.668 63.200 -0.194 0.000 0.998 818 S HN 1.536 nan 8.310 nan 0.000 0.474 819 C N 3.334 122.554 119.300 -0.133 0.000 3.231 819 C HA 0.691 5.133 4.460 -0.030 0.000 0.343 819 C C -1.674 173.232 174.990 -0.140 0.000 1.349 819 C CA -1.191 57.760 59.018 -0.111 0.000 1.209 819 C CB 0.750 28.463 27.740 -0.045 0.000 1.475 819 C HN 0.894 nan 8.230 nan 0.000 0.460 820 K N 1.408 121.730 120.400 -0.129 0.000 2.156 820 K HA 0.897 5.199 4.320 -0.030 0.000 0.250 820 K C -1.376 175.186 176.600 -0.064 0.000 0.955 820 K CA -0.518 55.690 56.287 -0.133 0.000 0.855 820 K CB 1.726 34.139 32.500 -0.145 0.000 1.101 820 K HN 0.783 nan 8.250 nan 0.000 0.434 821 L N 0.583 121.781 121.223 -0.041 0.000 2.371 821 L HA 0.465 4.787 4.340 -0.030 0.000 0.262 821 L C 0.661 177.650 176.870 0.199 0.000 1.006 821 L CA -0.422 54.433 54.840 0.025 0.000 0.818 821 L CB 1.967 43.961 42.059 -0.109 0.000 1.354 821 L HN 1.102 nan 8.230 nan 0.000 0.415 822 G N 1.693 110.615 108.800 0.203 0.000 2.574 822 G HA2 -0.273 3.669 3.960 -0.030 0.000 0.286 822 G HA3 -0.273 3.669 3.960 -0.030 0.000 0.286 822 G C 0.337 175.330 174.900 0.154 0.000 1.212 822 G CA 0.043 45.273 45.100 0.217 0.000 0.979 822 G HN 0.569 nan 8.290 nan 0.000 0.557 823 K N 1.576 122.068 120.400 0.152 0.000 2.437 823 K HA 0.223 4.525 4.320 -0.030 0.000 0.205 823 K C 0.302 176.975 176.600 0.122 0.000 1.026 823 K CA -0.029 56.319 56.287 0.102 0.000 1.153 823 K CB 0.125 32.664 32.500 0.066 0.000 0.863 823 K HN 0.510 nan 8.250 nan 0.000 0.502 824 D N 1.994 122.519 120.400 0.208 0.000 2.277 824 D HA 0.088 4.710 4.640 -0.030 0.000 0.249 824 D C -1.641 174.714 176.300 0.091 0.000 1.134 824 D CA -1.720 52.417 54.000 0.229 0.000 0.863 824 D CB 1.783 42.898 40.800 0.525 0.000 1.143 824 D HN -0.045 nan 8.370 nan 0.000 0.458 825 P HA 0.049 nan 4.420 nan 0.000 0.251 825 P C -0.141 177.078 177.300 -0.135 0.000 1.223 825 P CA -0.226 62.848 63.100 -0.044 0.000 0.796 825 P CB 0.482 32.166 31.700 -0.028 0.000 1.068 826 N N 0.819 119.397 118.700 -0.204 0.000 2.518 826 N HA 0.092 4.814 4.740 -0.030 0.000 0.266 826 N C 0.091 175.175 175.510 -0.710 0.000 1.196 826 N CA 0.663 53.441 53.050 -0.453 0.000 0.947 826 N CB 0.255 38.402 38.487 -0.566 0.000 1.098 826 N HN -0.055 nan 8.380 nan 0.000 0.450 827 T N 2.523 116.715 114.554 -0.603 0.000 2.767 827 T HA 0.374 4.706 4.350 -0.030 0.000 0.288 827 T C -0.322 174.010 174.700 -0.613 0.000 0.963 827 T CA -0.190 61.583 62.100 -0.545 0.000 1.019 827 T CB 0.122 68.767 68.868 -0.372 0.000 0.923 827 T HN 0.227 nan 8.240 nan 0.000 0.468 828 Y N 0.920 121.072 120.300 -0.246 0.000 2.468 828 Y HA 0.563 5.095 4.550 -0.030 0.000 0.342 828 Y C -0.189 175.569 175.900 -0.236 0.000 1.021 828 Y CA -1.551 56.431 58.100 -0.197 0.000 1.079 828 Y CB 1.261 39.598 38.460 -0.204 0.000 1.226 828 Y HN 0.498 nan 8.280 nan 0.000 0.460 829 F N 3.112 123.200 119.950 0.230 0.000 2.420 829 F HA 0.443 4.952 4.527 -0.030 0.000 0.352 829 F C -0.143 175.808 175.800 0.251 0.000 1.108 829 F CA -0.618 57.499 58.000 0.196 0.000 1.162 829 F CB 0.502 39.603 39.000 0.169 0.000 1.118 829 F HN 0.145 nan 8.300 nan 0.000 0.510 830 I N 4.277 125.058 120.570 0.353 0.000 2.436 830 I HA 0.457 4.609 4.170 -0.030 0.000 0.289 830 I C -1.063 175.209 176.117 0.259 0.000 1.010 830 I CA -0.917 60.514 61.300 0.217 0.000 1.098 830 I CB 1.809 39.834 38.000 0.042 0.000 1.266 830 I HN 0.122 nan 8.210 nan 0.000 0.434 831 V N 4.518 124.604 119.914 0.287 0.000 2.448 831 V HA 0.635 4.737 4.120 -0.030 0.000 0.295 831 V C 0.444 176.609 176.094 0.118 0.000 1.025 831 V CA -0.560 61.896 62.300 0.260 0.000 0.859 831 V CB 1.719 33.827 31.823 0.474 0.000 0.988 831 V HN 0.893 nan 8.190 nan 0.000 0.431 832 G N 2.412 111.244 108.800 0.053 0.000 2.343 832 G HA2 0.655 4.597 3.960 -0.030 0.000 0.319 832 G HA3 0.655 4.597 3.960 -0.030 0.000 0.319 832 G C -0.108 174.746 174.900 -0.076 0.000 1.126 832 G CA -0.008 45.091 45.100 -0.001 0.000 0.889 832 G HN 0.836 nan 8.290 nan 0.000 0.457 833 T N -1.207 113.283 114.554 -0.106 0.000 2.858 833 T HA 0.855 5.187 4.350 -0.030 0.000 0.285 833 T C -0.339 174.251 174.700 -0.182 0.000 1.052 833 T CA -0.434 61.557 62.100 -0.182 0.000 1.009 833 T CB 2.122 70.852 68.868 -0.230 0.000 1.241 833 T HN 1.544 nan 8.240 nan 0.000 0.542 834 A N 1.251 123.939 122.820 -0.220 0.000 2.486 834 A HA 0.695 4.997 4.320 -0.030 0.000 0.300 834 A C -0.709 176.690 177.584 -0.308 0.000 1.048 834 A CA -0.992 50.888 52.037 -0.262 0.000 0.696 834 A CB 1.545 20.347 19.000 -0.330 0.000 1.278 834 A HN 0.740 nan 8.150 nan 0.000 0.405 835 M N 2.279 121.647 119.600 -0.387 0.000 2.108 835 M HA 0.327 4.789 4.480 -0.030 0.000 0.354 835 M C -0.560 175.362 176.300 -0.630 0.000 1.229 835 M CA -0.502 54.441 55.300 -0.595 0.000 1.081 835 M CB 0.551 32.689 32.600 -0.771 0.000 1.606 835 M HN 0.326 nan 8.290 nan 0.000 0.467 836 V N 6.146 125.690 119.914 -0.616 0.000 2.328 836 V HA 0.370 4.472 4.120 -0.030 0.000 0.278 836 V C -0.747 175.059 176.094 -0.480 0.000 1.021 836 V CA -0.564 61.482 62.300 -0.422 0.000 0.838 836 V CB 0.197 31.897 31.823 -0.205 0.000 0.999 836 V HN 0.655 nan 8.190 nan 0.000 0.447 837 Y N 5.595 125.864 120.300 -0.052 0.000 2.446 837 Y HA 0.543 5.075 4.550 -0.030 0.000 0.338 837 Y C -1.781 174.110 175.900 -0.015 0.000 1.055 837 Y CA -2.860 55.222 58.100 -0.030 0.000 1.101 837 Y CB 1.557 39.996 38.460 -0.035 0.000 1.221 837 Y HN 0.443 nan 8.280 nan 0.000 0.460 838 P HA -0.083 nan 4.420 nan 0.000 0.266 838 P C -0.478 176.868 177.300 0.076 0.000 1.195 838 P CA 0.252 63.405 63.100 0.089 0.000 0.768 838 P CB 0.611 32.356 31.700 0.076 0.000 0.838 839 E N -0.439 119.792 120.200 0.051 0.000 2.210 839 E HA -0.239 4.093 4.350 -0.030 0.000 0.201 839 E C -0.256 176.371 176.600 0.046 0.000 1.339 839 E CA 1.155 57.579 56.400 0.040 0.000 0.699 839 E CB -1.487 28.232 29.700 0.031 0.000 1.126 839 E HN 0.679 nan 8.360 nan 0.000 0.355 840 E N -1.103 119.126 120.200 0.049 0.000 2.409 840 E HA 0.488 4.820 4.350 -0.030 0.000 0.259 840 E C 0.744 177.360 176.600 0.028 0.000 0.932 840 E CA 0.386 56.816 56.400 0.049 0.000 0.809 840 E CB 0.725 30.477 29.700 0.087 0.000 1.341 840 E HN 0.148 nan 8.360 nan 0.000 0.405 841 A N 4.257 127.092 122.820 0.026 0.000 1.877 841 A HA -0.098 4.204 4.320 -0.030 0.000 0.216 841 A C 0.668 178.264 177.584 0.019 0.000 1.186 841 A CA 1.195 53.246 52.037 0.023 0.000 0.620 841 A CB 0.020 19.037 19.000 0.028 0.000 0.822 841 A HN 0.612 nan 8.150 nan 0.000 0.443 842 E N -0.278 119.936 120.200 0.023 0.000 2.199 842 E HA 0.417 4.749 4.350 -0.030 0.000 0.269 842 E C -2.779 173.823 176.600 0.003 0.000 0.899 842 E CA -2.471 53.943 56.400 0.023 0.000 0.772 842 E CB 1.389 31.115 29.700 0.044 0.000 1.155 842 E HN 0.123 nan 8.360 nan 0.000 0.408 843 P HA 0.063 nan 4.420 nan 0.000 0.271 843 P C 0.013 177.301 177.300 -0.020 0.000 1.216 843 P CA -0.156 62.905 63.100 -0.065 0.000 0.776 843 P CB 0.768 32.369 31.700 -0.165 0.000 0.881 844 K N 0.601 121.012 120.400 0.019 0.000 2.354 844 K HA 0.163 4.466 4.320 -0.030 0.000 0.194 844 K C 0.297 176.932 176.600 0.059 0.000 1.038 844 K CA 0.672 56.986 56.287 0.046 0.000 1.052 844 K CB 0.404 32.945 32.500 0.069 0.000 0.861 844 K HN 0.497 nan 8.250 nan 0.000 0.535 845 Q N -1.498 118.317 119.800 0.024 0.000 2.397 845 Q HA 0.708 5.030 4.340 -0.030 0.000 0.275 845 Q C -0.554 175.405 176.000 -0.067 0.000 1.090 845 Q CA -0.862 54.965 55.803 0.041 0.000 0.809 845 Q CB 2.538 31.291 28.738 0.024 0.000 1.362 845 Q HN 0.163 nan 8.270 nan 0.000 0.431 846 G N 0.730 109.559 108.800 0.050 0.000 2.600 846 G HA2 0.694 4.636 3.960 -0.030 0.000 0.293 846 G HA3 0.694 4.636 3.960 -0.030 0.000 0.293 846 G C -1.569 173.434 174.900 0.171 0.000 1.408 846 G CA -0.680 44.426 45.100 0.011 0.000 0.782 846 G HN 0.357 nan 8.290 nan 0.000 0.482 847 R N -1.006 119.557 120.500 0.104 0.000 2.771 847 R HA 0.587 4.909 4.340 -0.030 0.000 0.274 847 R C -1.259 175.070 176.300 0.048 0.000 0.987 847 R CA -0.849 55.328 56.100 0.128 0.000 0.908 847 R CB 2.624 33.043 30.300 0.198 0.000 1.213 847 R HN 0.386 nan 8.270 nan 0.000 0.468 848 I N 2.231 122.809 120.570 0.012 0.000 2.382 848 I HA 0.319 4.471 4.170 -0.030 0.000 0.286 848 I C -0.684 175.392 176.117 -0.068 0.000 1.002 848 I CA -0.876 60.401 61.300 -0.038 0.000 1.135 848 I CB 2.007 39.935 38.000 -0.120 0.000 1.288 848 I HN 0.139 nan 8.210 nan 0.000 0.448 849 V N 7.092 126.971 119.914 -0.059 0.000 2.495 849 V HA 0.397 4.499 4.120 -0.030 0.000 0.298 849 V C -0.058 175.830 176.094 -0.342 0.000 1.031 849 V CA -0.779 61.381 62.300 -0.233 0.000 0.871 849 V CB 2.125 33.785 31.823 -0.272 0.000 0.988 849 V HN 0.350 nan 8.190 nan 0.000 0.432 850 V N 5.657 125.307 119.914 -0.440 0.000 2.350 850 V HA 0.502 4.604 4.120 -0.030 0.000 0.276 850 V C -0.484 175.336 176.094 -0.457 0.000 1.028 850 V CA -0.226 61.824 62.300 -0.416 0.000 0.860 850 V CB 0.919 32.402 31.823 -0.566 0.000 0.990 850 V HN 0.653 nan 8.190 nan 0.000 0.453 851 F N 2.828 122.781 119.950 0.005 0.000 2.507 851 F HA 0.614 5.123 4.527 -0.030 0.000 0.327 851 F C 0.272 176.218 175.800 0.243 0.000 1.068 851 F CA -0.561 57.490 58.000 0.086 0.000 0.965 851 F CB 1.742 40.810 39.000 0.113 0.000 1.192 851 F HN 0.358 nan 8.300 nan 0.000 0.476 852 Q N 1.951 122.016 119.800 0.442 0.000 2.340 852 Q HA 0.324 4.646 4.340 -0.030 0.000 0.268 852 Q C -2.041 174.145 176.000 0.310 0.000 1.031 852 Q CA -0.848 55.188 55.803 0.387 0.000 0.804 852 Q CB 1.821 30.757 28.738 0.330 0.000 1.286 852 Q HN 0.709 nan 8.270 nan 0.000 0.448 853 Y N 2.372 122.770 120.300 0.162 0.000 2.341 853 Y HA 0.466 4.999 4.550 -0.030 0.000 0.337 853 Y C -0.845 175.068 175.900 0.022 0.000 1.014 853 Y CA -0.330 57.829 58.100 0.098 0.000 1.111 853 Y CB 1.651 40.242 38.460 0.220 0.000 1.194 853 Y HN 0.592 nan 8.280 nan 0.000 0.462 854 S N 5.047 120.346 115.700 -0.669 0.000 2.440 854 S HA 0.257 4.709 4.470 -0.030 0.000 0.142 854 S C -1.480 172.735 174.600 -0.642 0.000 1.578 854 S CA -0.751 57.139 58.200 -0.516 0.000 1.260 854 S CB 0.038 63.097 63.200 -0.235 0.000 1.407 854 S HN 0.850 nan 8.310 nan 0.000 0.392 855 D N 1.148 120.969 120.400 -0.965 0.000 5.864 855 D HA -0.127 4.495 4.640 -0.030 0.000 0.244 855 D C 1.328 177.402 176.300 -0.377 0.000 1.511 855 D CA 2.285 55.992 54.000 -0.489 0.000 1.451 855 D CB -0.957 39.741 40.800 -0.169 0.000 0.732 855 D HN 1.578 nan 8.370 nan 0.000 0.394 856 G N 3.202 111.941 108.800 -0.102 0.000 2.609 856 G HA2 -0.381 3.561 3.960 -0.030 0.000 0.235 856 G HA3 -0.381 3.561 3.960 -0.030 0.000 0.235 856 G C 0.453 175.344 174.900 -0.014 0.000 1.177 856 G CA 1.318 46.463 45.100 0.075 0.000 0.707 856 G HN 0.775 nan 8.290 nan 0.000 0.513 857 K N 0.720 120.972 120.400 -0.247 0.000 2.206 857 K HA 0.748 5.050 4.320 -0.030 0.000 0.264 857 K C -0.426 176.008 176.600 -0.276 0.000 0.967 857 K CA -0.711 55.422 56.287 -0.257 0.000 0.844 857 K CB 0.936 33.349 32.500 -0.144 0.000 1.099 857 K HN 0.200 nan 8.250 nan 0.000 0.441 858 L N 5.436 126.445 121.223 -0.357 0.000 2.276 858 L HA 0.341 4.663 4.340 -0.030 0.000 0.286 858 L C -0.425 176.476 176.870 0.050 0.000 1.024 858 L CA -0.601 54.184 54.840 -0.090 0.000 0.826 858 L CB 1.452 43.409 42.059 -0.170 0.000 1.211 858 L HN 0.666 nan 8.230 nan 0.000 0.422 859 Q N 2.187 122.054 119.800 0.111 0.000 2.256 859 Q HA 0.277 4.599 4.340 -0.030 0.000 0.254 859 Q C -0.393 175.703 176.000 0.158 0.000 0.916 859 Q CA -0.516 55.356 55.803 0.116 0.000 0.932 859 Q CB 1.469 30.259 28.738 0.087 0.000 1.207 859 Q HN 0.436 nan 8.270 nan 0.000 0.426 860 T N 2.487 117.091 114.554 0.084 0.000 2.738 860 T HA 0.085 4.417 4.350 -0.030 0.000 0.293 860 T C 1.139 175.795 174.700 -0.075 0.000 0.913 860 T CA -0.296 61.753 62.100 -0.086 0.000 1.103 860 T CB 0.690 69.491 68.868 -0.111 0.000 0.880 860 T HN 0.386 nan 8.240 nan 0.000 0.526 861 V N 2.353 122.197 119.914 -0.116 0.000 2.331 861 V HA 0.297 4.399 4.120 -0.030 0.000 0.242 861 V C 1.137 177.201 176.094 -0.049 0.000 1.034 861 V CA 1.054 63.322 62.300 -0.055 0.000 1.027 861 V CB -0.316 31.451 31.823 -0.092 0.000 0.667 861 V HN 0.955 nan 8.190 nan 0.000 0.457 862 A N -0.372 122.389 122.820 -0.099 0.000 2.427 862 A HA 0.651 4.953 4.320 -0.030 0.000 0.298 862 A C -0.830 176.688 177.584 -0.110 0.000 1.036 862 A CA -0.520 51.492 52.037 -0.042 0.000 0.701 862 A CB 1.283 20.365 19.000 0.137 0.000 1.250 862 A HN 0.321 nan 8.150 nan 0.000 0.412 863 E N 0.788 120.940 120.200 -0.081 0.000 2.191 863 E HA 0.503 4.835 4.350 -0.030 0.000 0.278 863 E C -0.787 175.780 176.600 -0.054 0.000 0.972 863 E CA -0.561 55.796 56.400 -0.072 0.000 0.804 863 E CB 1.885 31.554 29.700 -0.051 0.000 1.110 863 E HN 0.492 nan 8.360 nan 0.000 0.394 864 K N 2.573 122.944 120.400 -0.048 0.000 2.541 864 K HA 0.152 4.454 4.320 -0.030 0.000 0.250 864 K C -1.182 175.425 176.600 0.012 0.000 0.950 864 K CA -0.533 55.732 56.287 -0.036 0.000 0.805 864 K CB 1.463 33.906 32.500 -0.095 0.000 1.166 864 K HN 0.404 nan 8.250 nan 0.000 0.430 865 E N 3.591 123.804 120.200 0.021 0.000 2.313 865 E HA 0.317 4.649 4.350 -0.030 0.000 0.276 865 E C -0.784 175.887 176.600 0.118 0.000 1.031 865 E CA -0.753 55.693 56.400 0.076 0.000 0.857 865 E CB 0.965 30.657 29.700 -0.014 0.000 1.040 865 E HN 0.432 nan 8.360 nan 0.000 0.408 866 V N 1.273 121.283 119.914 0.159 0.000 3.040 866 V HA 0.484 4.586 4.120 -0.030 0.000 0.312 866 V C -0.612 175.567 176.094 0.142 0.000 1.115 866 V CA -1.196 61.194 62.300 0.150 0.000 0.998 866 V CB 1.814 33.727 31.823 0.150 0.000 1.042 866 V HN 0.548 nan 8.190 nan 0.000 0.433 867 K N 2.121 122.593 120.400 0.120 0.000 2.758 867 K HA 0.721 5.023 4.320 -0.030 0.000 0.250 867 K C 0.264 176.907 176.600 0.072 0.000 1.268 867 K CA 0.905 57.254 56.287 0.102 0.000 1.228 867 K CB 0.098 32.654 32.500 0.094 0.000 1.715 867 K HN 1.382 nan 8.250 nan 0.000 0.334 868 G N -0.763 108.063 108.800 0.043 0.000 2.356 868 G HA2 0.341 4.284 3.960 -0.030 0.000 0.288 868 G HA3 0.341 4.284 3.960 -0.030 0.000 0.288 868 G C -1.596 173.244 174.900 -0.099 0.000 1.302 868 G CA -0.586 44.505 45.100 -0.015 0.000 0.887 868 G HN 0.245 nan 8.290 nan 0.000 0.521 869 A N -0.484 122.201 122.820 -0.224 0.000 2.320 869 A HA 0.612 4.914 4.320 -0.030 0.000 0.287 869 A C 0.389 177.690 177.584 -0.471 0.000 1.181 869 A CA -0.226 51.536 52.037 -0.459 0.000 0.831 869 A CB 0.723 19.224 19.000 -0.831 0.000 1.102 869 A HN 1.633 nan 8.150 nan 0.000 0.513 870 V N 4.893 124.623 119.914 -0.306 0.000 2.313 870 V HA 0.032 4.134 4.120 -0.030 0.000 0.252 870 V C 0.513 176.518 176.094 -0.149 0.000 1.112 870 V CA 0.212 62.423 62.300 -0.148 0.000 0.984 870 V CB -1.550 30.249 31.823 -0.039 0.000 1.157 870 V HN 0.969 nan 8.190 nan 0.000 0.493 871 Y N 1.975 122.267 120.300 -0.013 0.000 2.200 871 Y HA -0.025 4.507 4.550 -0.030 0.000 0.290 871 Y C 1.666 177.566 175.900 0.001 0.000 1.137 871 Y CA 1.499 59.581 58.100 -0.031 0.000 1.163 871 Y CB 0.434 38.839 38.460 -0.092 0.000 0.988 871 Y HN 0.592 nan 8.280 nan 0.000 0.518 872 S N -0.167 115.633 115.700 0.167 0.000 2.537 872 S HA 0.708 5.160 4.470 -0.030 0.000 0.270 872 S C -1.174 173.495 174.600 0.114 0.000 1.142 872 S CA -0.890 57.391 58.200 0.136 0.000 0.870 872 S CB 0.874 64.146 63.200 0.120 0.000 1.112 872 S HN 0.196 nan 8.310 nan 0.000 0.466 873 M N 2.551 122.222 119.600 0.119 0.000 2.534 873 M HA 0.813 5.275 4.480 -0.030 0.000 0.280 873 M C -1.774 174.600 176.300 0.123 0.000 1.217 873 M CA -0.996 54.373 55.300 0.115 0.000 0.893 873 M CB 1.715 34.382 32.600 0.112 0.000 1.730 873 M HN 0.483 nan 8.290 nan 0.000 0.483 874 V N 0.517 120.506 119.914 0.126 0.000 2.969 874 V HA 0.418 4.521 4.120 -0.030 0.000 0.304 874 V C -1.060 175.131 176.094 0.162 0.000 1.192 874 V CA -0.297 62.088 62.300 0.142 0.000 0.962 874 V CB 2.254 34.168 31.823 0.153 0.000 1.045 874 V HN 1.022 nan 8.190 nan 0.000 0.428 875 E N 4.114 124.401 120.200 0.144 0.000 2.417 875 E HA 0.090 4.422 4.350 -0.030 0.000 0.261 875 E C -1.747 174.984 176.600 0.218 0.000 1.000 875 E CA 0.215 56.699 56.400 0.139 0.000 0.919 875 E CB 0.689 30.434 29.700 0.075 0.000 0.955 875 E HN 0.582 nan 8.360 nan 0.000 0.455 876 F N 4.999 124.967 119.950 0.030 0.000 2.676 876 F HA 0.220 4.729 4.527 -0.030 0.000 0.371 876 F C -0.274 175.524 175.800 -0.003 0.000 1.141 876 F CA -0.671 57.342 58.000 0.022 0.000 1.133 876 F CB -0.034 38.980 39.000 0.022 0.000 1.376 876 F HN 0.599 nan 8.300 nan 0.000 0.491 877 N N 3.364 121.897 118.700 -0.279 0.000 2.714 877 N HA -0.195 4.527 4.740 -0.030 0.000 0.253 877 N C 0.932 176.401 175.510 -0.067 0.000 1.024 877 N CA 0.784 53.701 53.050 -0.221 0.000 0.726 877 N CB -1.078 37.200 38.487 -0.348 0.000 0.908 877 N HN 1.175 nan 8.380 nan 0.000 0.542 878 G N -1.401 107.391 108.800 -0.014 0.000 2.155 878 G HA2 -0.383 3.559 3.960 -0.030 0.000 0.257 878 G HA3 -0.383 3.559 3.960 -0.030 0.000 0.257 878 G C 0.006 174.953 174.900 0.078 0.000 0.983 878 G CA 1.046 46.164 45.100 0.031 0.000 0.676 878 G HN 0.568 nan 8.290 nan 0.000 0.528 879 K N -1.216 119.243 120.400 0.098 0.000 2.350 879 K HA 0.778 5.080 4.320 -0.030 0.000 0.241 879 K C -0.749 175.953 176.600 0.171 0.000 0.994 879 K CA -1.178 55.196 56.287 0.145 0.000 0.839 879 K CB 2.073 34.650 32.500 0.129 0.000 1.244 879 K HN 0.135 nan 8.250 nan 0.000 0.443 880 L N 2.514 123.849 121.223 0.187 0.000 2.276 880 L HA 0.332 4.654 4.340 -0.030 0.000 0.286 880 L C -1.186 175.813 176.870 0.215 0.000 1.024 880 L CA -0.428 54.522 54.840 0.183 0.000 0.826 880 L CB 0.701 42.845 42.059 0.141 0.000 1.211 880 L HN 0.465 nan 8.230 nan 0.000 0.422 881 L N 5.260 126.581 121.223 0.164 0.000 2.305 881 L HA 0.757 5.079 4.340 -0.030 0.000 0.281 881 L C -0.365 176.574 176.870 0.115 0.000 1.085 881 L CA -0.143 54.751 54.840 0.090 0.000 0.813 881 L CB 1.194 43.238 42.059 -0.024 0.000 1.157 881 L HN 0.858 nan 8.230 nan 0.000 0.436 882 A N 3.367 126.258 122.820 0.118 0.000 2.486 882 A HA 0.626 4.928 4.320 -0.030 0.000 0.300 882 A C -0.745 176.889 177.584 0.082 0.000 1.048 882 A CA -0.450 51.667 52.037 0.132 0.000 0.696 882 A CB 1.626 20.768 19.000 0.236 0.000 1.278 882 A HN 0.645 nan 8.150 nan 0.000 0.405 883 S N 0.948 116.697 115.700 0.081 0.000 2.457 883 S HA 0.618 5.070 4.470 -0.030 0.000 0.289 883 S C -0.494 174.171 174.600 0.108 0.000 1.163 883 S CA -0.094 58.155 58.200 0.081 0.000 1.078 883 S CB 0.030 63.289 63.200 0.099 0.000 0.987 883 S HN 0.462 nan 8.310 nan 0.000 0.482 884 I N 3.824 124.455 120.570 0.101 0.000 2.476 884 I HA 0.298 4.450 4.170 -0.030 0.000 0.281 884 I C 0.597 176.782 176.117 0.114 0.000 1.040 884 I CA -0.371 60.980 61.300 0.085 0.000 1.094 884 I CB 0.811 38.864 38.000 0.087 0.000 1.219 884 I HN 0.769 nan 8.210 nan 0.000 0.450 885 N N 2.811 121.611 118.700 0.166 0.000 1.758 885 N HA -0.342 4.380 4.740 -0.030 0.000 0.152 885 N C 0.985 176.585 175.510 0.149 0.000 0.558 885 N CA 2.093 55.275 53.050 0.220 0.000 1.229 885 N CB -0.685 37.877 38.487 0.125 0.000 1.337 885 N HN 0.725 nan 8.380 nan 0.000 0.432 886 S N -0.274 115.484 115.700 0.098 0.000 2.597 886 S HA 0.244 4.696 4.470 -0.030 0.000 0.224 886 S C -0.037 174.605 174.600 0.069 0.000 0.955 886 S CA -0.056 58.180 58.200 0.059 0.000 0.933 886 S CB 0.621 63.850 63.200 0.048 0.000 0.788 886 S HN 0.397 nan 8.310 nan 0.000 0.488 887 T N 2.078 116.678 114.554 0.077 0.000 2.807 887 T HA 0.534 4.866 4.350 -0.030 0.000 0.279 887 T C -0.663 174.031 174.700 -0.009 0.000 0.993 887 T CA -0.492 61.628 62.100 0.032 0.000 0.970 887 T CB 1.875 70.790 68.868 0.078 0.000 0.950 887 T HN 0.051 nan 8.240 nan 0.000 0.441 888 V N 4.237 124.110 119.914 -0.068 0.000 2.350 888 V HA 0.499 4.601 4.120 -0.030 0.000 0.276 888 V C 0.354 176.418 176.094 -0.050 0.000 1.028 888 V CA -0.644 61.584 62.300 -0.120 0.000 0.860 888 V CB 0.982 32.615 31.823 -0.317 0.000 0.990 888 V HN 0.658 nan 8.190 nan 0.000 0.453 889 R N 3.701 124.202 120.500 0.002 0.000 2.562 889 R HA 0.652 4.974 4.340 -0.030 0.000 0.298 889 R C -1.549 174.755 176.300 0.006 0.000 0.961 889 R CA -0.913 55.176 56.100 -0.019 0.000 0.881 889 R CB 1.824 32.005 30.300 -0.199 0.000 1.159 889 R HN 0.568 nan 8.270 nan 0.000 0.450 890 L N 4.441 125.644 121.223 -0.034 0.000 2.287 890 L HA 0.403 4.725 4.340 -0.030 0.000 0.287 890 L C -1.622 175.150 176.870 -0.164 0.000 1.022 890 L CA -0.264 54.539 54.840 -0.062 0.000 0.814 890 L CB 0.920 42.883 42.059 -0.160 0.000 1.217 890 L HN 0.538 nan 8.230 nan 0.000 0.420 891 Y N 2.895 123.219 120.300 0.040 0.000 2.387 891 Y HA 0.487 5.019 4.550 -0.030 0.000 0.330 891 Y C 0.209 176.157 175.900 0.080 0.000 1.133 891 Y CA -0.431 57.707 58.100 0.063 0.000 1.152 891 Y CB 1.592 40.107 38.460 0.092 0.000 1.215 891 Y HN 0.539 nan 8.280 nan 0.000 0.466 892 E N 2.242 122.609 120.200 0.279 0.000 2.191 892 E HA 0.089 4.421 4.350 -0.030 0.000 0.274 892 E C -1.397 175.392 176.600 0.315 0.000 0.948 892 E CA -0.791 55.748 56.400 0.232 0.000 0.802 892 E CB 1.509 31.291 29.700 0.138 0.000 1.137 892 E HN 0.599 nan 8.360 nan 0.000 0.397 893 W N 4.787 126.126 121.300 0.065 0.000 2.316 893 W HA 0.146 4.788 4.660 -0.030 0.000 0.308 893 W C -0.297 176.243 176.519 0.035 0.000 1.106 893 W CA -0.594 56.775 57.345 0.039 0.000 1.262 893 W CB 1.120 30.607 29.460 0.046 0.000 1.233 893 W HN 0.558 nan 8.180 nan 0.000 0.447 894 T N 0.850 115.227 114.554 -0.295 0.000 2.902 894 T HA 0.127 4.459 4.350 -0.030 0.000 0.280 894 T C 1.490 175.943 174.700 -0.413 0.000 0.992 894 T CA 0.145 62.087 62.100 -0.264 0.000 1.015 894 T CB 1.604 70.353 68.868 -0.198 0.000 1.044 894 T HN 0.467 nan 8.240 nan 0.000 0.520 895 T N -1.358 113.061 114.554 -0.226 0.000 2.929 895 T HA -0.052 4.280 4.350 -0.030 0.000 0.271 895 T C 1.155 175.719 174.700 -0.226 0.000 1.085 895 T CA 0.985 62.974 62.100 -0.186 0.000 1.125 895 T CB -0.531 68.283 68.868 -0.089 0.000 0.874 895 T HN 0.700 nan 8.240 nan 0.000 0.494 896 E N 1.186 121.230 120.200 -0.260 0.000 2.512 896 E HA 0.227 4.559 4.350 -0.030 0.000 0.195 896 E C 0.186 176.563 176.600 -0.372 0.000 1.083 896 E CA -0.073 56.181 56.400 -0.244 0.000 0.873 896 E CB -0.452 29.137 29.700 -0.184 0.000 0.897 896 E HN 0.533 nan 8.360 nan 0.000 0.514 897 K N 0.815 120.825 120.400 -0.651 0.000 3.419 897 K HA -0.247 4.055 4.320 -0.030 0.000 0.272 897 K C -0.662 175.284 176.600 -1.089 0.000 0.973 897 K CA 0.883 56.513 56.287 -1.095 0.000 0.749 897 K CB -1.514 30.767 32.500 -0.364 0.000 1.403 897 K HN 0.352 nan 8.250 nan 0.000 0.456 898 E N -0.818 118.753 120.200 -1.048 0.000 2.408 898 E HA 0.587 4.919 4.350 -0.030 0.000 0.275 898 E C -1.334 175.131 176.600 -0.224 0.000 0.935 898 E CA -1.251 54.865 56.400 -0.474 0.000 0.775 898 E CB 0.999 30.566 29.700 -0.222 0.000 1.277 898 E HN -0.023 nan 8.360 nan 0.000 0.455 899 L N 1.768 123.027 121.223 0.060 0.000 2.264 899 L HA 0.489 4.811 4.340 -0.030 0.000 0.289 899 L C -0.440 176.560 176.870 0.216 0.000 1.044 899 L CA -0.071 54.867 54.840 0.163 0.000 0.807 899 L CB 0.764 42.750 42.059 -0.122 0.000 1.192 899 L HN 0.693 nan 8.230 nan 0.000 0.425 900 R N 2.091 122.781 120.500 0.315 0.000 2.439 900 R HA 0.352 4.674 4.340 -0.030 0.000 0.310 900 R C -0.423 176.041 176.300 0.273 0.000 0.955 900 R CA -0.438 55.820 56.100 0.262 0.000 0.853 900 R CB 1.309 31.675 30.300 0.111 0.000 1.171 900 R HN 0.713 nan 8.270 nan 0.000 0.449 901 T N 0.934 115.572 114.554 0.140 0.000 2.928 901 T HA -0.008 4.324 4.350 -0.030 0.000 0.305 901 T C 0.720 175.366 174.700 -0.091 0.000 1.035 901 T CA 0.221 62.201 62.100 -0.199 0.000 1.145 901 T CB 1.091 69.761 68.868 -0.331 0.000 0.963 901 T HN 0.870 nan 8.240 nan 0.000 0.545 902 E N 2.154 122.274 120.200 -0.132 0.000 2.306 902 E HA 0.167 4.499 4.350 -0.030 0.000 0.201 902 E C -0.178 176.338 176.600 -0.141 0.000 0.874 902 E CA -0.223 56.123 56.400 -0.090 0.000 0.972 902 E CB 0.745 30.408 29.700 -0.062 0.000 0.957 902 E HN 0.678 nan 8.360 nan 0.000 0.492 903 C N 0.282 119.441 119.300 -0.235 0.000 2.707 903 C HA 0.597 5.039 4.460 -0.030 0.000 0.313 903 C C -0.911 173.984 174.990 -0.158 0.000 1.209 903 C CA -0.553 58.265 59.018 -0.334 0.000 1.635 903 C CB 0.940 28.139 27.740 -0.902 0.000 2.206 903 C HN 0.391 nan 8.230 nan 0.000 0.485 904 N N 0.595 119.258 118.700 -0.062 0.000 2.287 904 N HA 0.388 5.110 4.740 -0.030 0.000 0.289 904 N C -1.599 173.858 175.510 -0.087 0.000 1.066 904 N CA -0.521 52.448 53.050 -0.134 0.000 0.841 904 N CB 1.278 39.521 38.487 -0.407 0.000 1.599 904 N HN 0.785 nan 8.380 nan 0.000 0.476 905 H N 2.244 121.128 119.070 -0.310 0.000 2.600 905 H HA 0.244 4.782 4.556 -0.030 0.000 0.357 905 H C -0.898 174.158 175.328 -0.453 0.000 1.106 905 H CA -0.275 55.573 56.048 -0.332 0.000 1.193 905 H CB 1.045 30.584 29.762 -0.373 0.000 1.594 905 H HN 0.764 nan 8.280 nan 0.000 0.526 906 Y N 2.183 122.160 120.300 -0.539 0.000 2.432 906 Y HA 0.099 4.631 4.550 -0.030 0.000 0.252 906 Y C 1.465 177.152 175.900 -0.354 0.000 1.097 906 Y CA -0.252 57.664 58.100 -0.306 0.000 1.250 906 Y CB 0.750 39.103 38.460 -0.179 0.000 1.245 906 Y HN 0.551 nan 8.280 nan 0.000 0.522 907 N N 2.321 120.687 118.700 -0.558 0.000 3.178 907 N HA 0.062 4.784 4.740 -0.030 0.000 0.300 907 N C -1.350 174.137 175.510 -0.038 0.000 1.242 907 N CA 0.174 53.081 53.050 -0.238 0.000 1.192 907 N CB -0.457 37.906 38.487 -0.206 0.000 1.463 907 N HN 0.430 nan 8.380 nan 0.000 0.539 908 N N 0.549 119.230 118.700 -0.032 0.000 2.396 908 N HA 0.255 4.977 4.740 -0.030 0.000 0.275 908 N C 0.190 175.674 175.510 -0.045 0.000 1.218 908 N CA -0.704 52.330 53.050 -0.028 0.000 0.812 908 N CB 1.456 39.935 38.487 -0.012 0.000 1.592 908 N HN -0.050 nan 8.380 nan 0.000 0.480 909 I N 0.097 120.620 120.570 -0.078 0.000 2.235 909 I HA 0.152 4.304 4.170 -0.030 0.000 0.241 909 I C 0.429 176.500 176.117 -0.077 0.000 1.085 909 I CA 1.214 62.465 61.300 -0.082 0.000 1.378 909 I CB 0.166 38.090 38.000 -0.127 0.000 1.076 909 I HN 0.523 nan 8.210 nan 0.000 0.415 910 M N 0.065 119.593 119.600 -0.120 0.000 2.272 910 M HA 0.451 4.913 4.480 -0.030 0.000 0.240 910 M C -1.574 174.593 176.300 -0.221 0.000 0.991 910 M CA -0.468 54.738 55.300 -0.157 0.000 1.008 910 M CB 1.369 33.840 32.600 -0.215 0.000 2.221 910 M HN 0.001 nan 8.290 nan 0.000 0.469 911 A N 5.469 128.195 122.820 -0.157 0.000 2.666 911 A HA 0.444 4.746 4.320 -0.030 0.000 0.312 911 A C 0.386 177.816 177.584 -0.257 0.000 1.471 911 A CA -0.383 51.556 52.037 -0.164 0.000 1.134 911 A CB -0.286 18.665 19.000 -0.083 0.000 1.129 911 A HN 1.035 nan 8.150 nan 0.000 0.539 912 L N 1.251 122.184 121.223 -0.484 0.000 2.202 912 L HA 0.113 4.435 4.340 -0.030 0.000 0.205 912 L C -0.189 176.271 176.870 -0.684 0.000 1.083 912 L CA 0.753 55.102 54.840 -0.819 0.000 0.790 912 L CB -0.170 41.048 42.059 -1.401 0.000 0.942 912 L HN 0.711 nan 8.230 nan 0.000 0.452 913 Y N -0.186 120.101 120.300 -0.022 0.000 2.376 913 Y HA 0.589 5.121 4.550 -0.030 0.000 0.340 913 Y C -0.588 175.312 175.900 -0.001 0.000 0.965 913 Y CA -1.103 57.004 58.100 0.012 0.000 1.078 913 Y CB 1.783 40.253 38.460 0.016 0.000 1.193 913 Y HN -0.233 nan 8.280 nan 0.000 0.452 914 L N 4.488 125.813 121.223 0.169 0.000 2.385 914 L HA 0.609 4.931 4.340 -0.030 0.000 0.273 914 L C -0.900 176.043 176.870 0.121 0.000 0.990 914 L CA -1.344 53.550 54.840 0.090 0.000 0.821 914 L CB 1.803 43.895 42.059 0.056 0.000 1.279 914 L HN 0.568 nan 8.230 nan 0.000 0.412 915 K N 1.454 121.914 120.400 0.100 0.000 2.523 915 K HA 0.770 5.072 4.320 -0.030 0.000 0.257 915 K C -0.904 175.787 176.600 0.152 0.000 0.932 915 K CA -0.606 55.764 56.287 0.139 0.000 0.812 915 K CB 2.622 35.211 32.500 0.149 0.000 1.326 915 K HN 0.688 nan 8.250 nan 0.000 0.433 916 T N -1.294 113.382 114.554 0.203 0.000 2.893 916 T HA 0.612 4.944 4.350 -0.030 0.000 0.293 916 T C -0.846 173.994 174.700 0.232 0.000 1.027 916 T CA -0.868 61.401 62.100 0.281 0.000 0.988 916 T CB 2.310 71.454 68.868 0.461 0.000 1.043 916 T HN 0.477 nan 8.240 nan 0.000 0.461 917 K N 1.790 122.336 120.400 0.245 0.000 2.507 917 K HA 0.558 4.860 4.320 -0.030 0.000 0.251 917 K C 1.009 177.665 176.600 0.094 0.000 0.943 917 K CA 0.145 56.501 56.287 0.115 0.000 0.794 917 K CB 1.102 33.638 32.500 0.060 0.000 1.188 917 K HN 1.171 nan 8.250 nan 0.000 0.428 918 G N 3.899 112.692 108.800 -0.011 0.000 2.646 918 G HA2 -0.364 3.578 3.960 -0.030 0.000 0.324 918 G HA3 -0.364 3.578 3.960 -0.030 0.000 0.324 918 G C 0.368 175.277 174.900 0.015 0.000 1.195 918 G CA 0.839 45.910 45.100 -0.049 0.000 0.976 918 G HN 0.730 nan 8.290 nan 0.000 0.546 919 D N 0.189 120.732 120.400 0.239 0.000 2.379 919 D HA 0.328 4.950 4.640 -0.030 0.000 0.208 919 D C 0.683 177.470 176.300 0.812 0.000 1.065 919 D CA -0.121 54.192 54.000 0.522 0.000 0.848 919 D CB 0.051 41.134 40.800 0.472 0.000 0.949 919 D HN 0.117 nan 8.370 nan 0.000 0.509 920 F N 0.793 120.927 119.950 0.307 0.000 2.418 920 F HA 0.391 4.900 4.527 -0.030 0.000 0.341 920 F C 0.740 176.670 175.800 0.218 0.000 1.120 920 F CA -0.907 57.230 58.000 0.228 0.000 1.232 920 F CB 0.510 39.627 39.000 0.195 0.000 1.175 920 F HN -0.285 nan 8.300 nan 0.000 0.569 921 I N 3.847 124.522 120.570 0.175 0.000 2.478 921 I HA 0.223 4.375 4.170 -0.030 0.000 0.287 921 I C -1.307 174.738 176.117 -0.120 0.000 1.042 921 I CA -0.786 60.516 61.300 0.003 0.000 1.067 921 I CB 2.004 39.880 38.000 -0.206 0.000 1.233 921 I HN 0.235 nan 8.210 nan 0.000 0.431 922 L N 8.331 129.508 121.223 -0.076 0.000 2.257 922 L HA 0.508 4.830 4.340 -0.030 0.000 0.290 922 L C -0.576 176.217 176.870 -0.128 0.000 1.044 922 L CA -0.238 54.501 54.840 -0.168 0.000 0.810 922 L CB 1.296 43.297 42.059 -0.097 0.000 1.193 922 L HN 0.306 nan 8.230 nan 0.000 0.425 923 V N 4.713 124.516 119.914 -0.186 0.000 2.370 923 V HA 0.644 4.746 4.120 -0.030 0.000 0.283 923 V C 0.706 176.754 176.094 -0.075 0.000 1.023 923 V CA -0.522 61.694 62.300 -0.140 0.000 0.857 923 V CB 1.170 32.861 31.823 -0.221 0.000 0.985 923 V HN 0.866 nan 8.190 nan 0.000 0.443 924 G N 2.598 111.417 108.800 0.033 0.000 2.322 924 G HA2 0.531 4.473 3.960 -0.030 0.000 0.309 924 G HA3 0.531 4.473 3.960 -0.030 0.000 0.309 924 G C -1.031 173.910 174.900 0.069 0.000 1.121 924 G CA -0.235 44.949 45.100 0.140 0.000 0.886 924 G HN 0.742 nan 8.290 nan 0.000 0.447 925 D N 1.474 121.882 120.400 0.013 0.000 2.228 925 D HA 0.301 4.924 4.640 -0.030 0.000 0.247 925 D C 1.504 177.747 176.300 -0.096 0.000 0.995 925 D CA -0.795 53.148 54.000 -0.096 0.000 0.903 925 D CB 1.868 42.587 40.800 -0.134 0.000 1.205 925 D HN 0.125 nan 8.370 nan 0.000 0.459 926 L N 3.206 124.320 121.223 -0.182 0.000 2.013 926 L HA -0.141 4.181 4.340 -0.030 0.000 0.212 926 L C 1.594 178.258 176.870 -0.344 0.000 1.073 926 L CA 2.027 56.769 54.840 -0.163 0.000 0.753 926 L CB -0.264 41.685 42.059 -0.183 0.000 0.890 926 L HN 0.767 nan 8.230 nan 0.000 0.432 927 M N -3.822 115.449 119.600 -0.547 0.000 2.251 927 M HA 0.278 4.740 4.480 -0.030 0.000 0.308 927 M C 1.289 177.248 176.300 -0.569 0.000 0.967 927 M CA 0.200 54.912 55.300 -0.979 0.000 1.103 927 M CB 0.395 32.197 32.600 -1.330 0.000 1.815 927 M HN -0.036 nan 8.290 nan 0.000 0.623 928 R N 1.758 122.053 120.500 -0.342 0.000 3.039 928 R HA 0.377 4.699 4.340 -0.030 0.000 0.336 928 R C 0.382 176.566 176.300 -0.193 0.000 1.258 928 R CA 0.284 56.238 56.100 -0.243 0.000 1.125 928 R CB 0.145 30.325 30.300 -0.200 0.000 1.427 928 R HN 0.519 nan 8.270 nan 0.000 0.588 929 S N -1.217 114.392 115.700 -0.152 0.000 4.050 929 S HA -0.266 4.186 4.470 -0.030 0.000 0.602 929 S C 0.044 174.631 174.600 -0.021 0.000 2.030 929 S CA 1.290 59.461 58.200 -0.049 0.000 4.208 929 S CB -0.715 62.418 63.200 -0.111 0.000 0.290 929 S HN 0.182 nan 8.310 nan 0.000 0.615 930 V N 1.695 121.587 119.914 -0.037 0.000 2.628 930 V HA 0.760 4.862 4.120 -0.030 0.000 0.306 930 V C -0.246 175.727 176.094 -0.202 0.000 1.045 930 V CA -0.451 61.813 62.300 -0.060 0.000 0.905 930 V CB 1.593 33.454 31.823 0.062 0.000 0.997 930 V HN 0.677 nan 8.190 nan 0.000 0.436 931 L N 5.126 126.204 121.223 -0.242 0.000 2.410 931 L HA 0.617 4.939 4.340 -0.030 0.000 0.270 931 L C -1.431 175.213 176.870 -0.377 0.000 0.983 931 L CA -0.829 53.825 54.840 -0.311 0.000 0.822 931 L CB 1.890 43.778 42.059 -0.285 0.000 1.285 931 L HN 0.590 nan 8.230 nan 0.000 0.409 932 L N 5.775 126.753 121.223 -0.408 0.000 2.276 932 L HA 0.518 4.840 4.340 -0.030 0.000 0.286 932 L C -1.106 175.539 176.870 -0.376 0.000 1.024 932 L CA 0.089 54.661 54.840 -0.446 0.000 0.826 932 L CB 1.013 42.768 42.059 -0.506 0.000 1.211 932 L HN 0.490 nan 8.230 nan 0.000 0.422 933 L N 4.442 125.440 121.223 -0.374 0.000 2.352 933 L HA 0.888 5.210 4.340 -0.030 0.000 0.269 933 L C -0.016 176.708 176.870 -0.244 0.000 1.034 933 L CA -0.751 53.875 54.840 -0.357 0.000 0.806 933 L CB 1.733 43.476 42.059 -0.527 0.000 1.244 933 L HN 0.752 nan 8.230 nan 0.000 0.447 934 A N 1.329 124.067 122.820 -0.136 0.000 2.393 934 A HA 0.501 4.803 4.320 -0.030 0.000 0.306 934 A C -1.596 176.130 177.584 0.238 0.000 1.050 934 A CA -0.418 51.620 52.037 0.002 0.000 0.724 934 A CB 1.163 20.070 19.000 -0.155 0.000 1.248 934 A HN 0.556 nan 8.150 nan 0.000 0.424 935 Y N 2.454 122.907 120.300 0.255 0.000 2.316 935 Y HA 0.485 5.017 4.550 -0.030 0.000 0.331 935 Y C -0.238 175.760 175.900 0.163 0.000 1.083 935 Y CA -0.398 57.848 58.100 0.244 0.000 1.206 935 Y CB 1.009 39.686 38.460 0.362 0.000 1.195 935 Y HN 0.435 nan 8.280 nan 0.000 0.497 936 K N 8.804 128.867 120.400 -0.562 0.000 2.347 936 K HA 0.257 4.559 4.320 -0.030 0.000 0.262 936 K C -2.266 173.867 176.600 -0.777 0.000 1.052 936 K CA -2.180 53.827 56.287 -0.466 0.000 0.946 936 K CB 1.210 33.565 32.500 -0.241 0.000 1.220 936 K HN 0.486 nan 8.250 nan 0.000 0.450 937 P HA -0.104 nan 4.420 nan 0.000 0.215 937 P C 1.226 178.419 177.300 -0.178 0.000 1.153 937 P CA 1.176 64.088 63.100 -0.313 0.000 0.853 937 P CB 0.180 31.870 31.700 -0.015 0.000 0.788 938 M N -0.856 118.661 119.600 -0.138 0.000 2.229 938 M HA -0.099 4.363 4.480 -0.030 0.000 0.264 938 M C 1.647 177.894 176.300 -0.089 0.000 1.063 938 M CA 1.699 56.951 55.300 -0.080 0.000 1.114 938 M CB -1.382 31.185 32.600 -0.054 0.000 1.387 938 M HN 0.122 nan 8.290 nan 0.000 0.420 939 E N -0.465 119.649 120.200 -0.143 0.000 2.364 939 E HA 0.209 4.541 4.350 -0.030 0.000 0.196 939 E C 0.901 177.428 176.600 -0.122 0.000 0.990 939 E CA 0.331 56.661 56.400 -0.117 0.000 0.886 939 E CB 0.214 29.845 29.700 -0.115 0.000 0.866 939 E HN 0.601 nan 8.360 nan 0.000 0.493 940 G N 2.326 111.005 108.800 -0.202 0.000 2.272 940 G HA2 -0.258 3.684 3.960 -0.030 0.000 0.280 940 G HA3 -0.258 3.684 3.960 -0.030 0.000 0.280 940 G C -0.349 174.496 174.900 -0.091 0.000 1.067 940 G CA 0.626 45.678 45.100 -0.081 0.000 0.902 940 G HN 0.218 nan 8.290 nan 0.000 0.500 941 N N -1.454 117.093 118.700 -0.255 0.000 2.525 941 N HA 0.725 5.447 4.740 -0.030 0.000 0.270 941 N C -0.632 174.779 175.510 -0.164 0.000 1.321 941 N CA -0.872 52.063 53.050 -0.192 0.000 0.797 941 N CB 0.957 39.383 38.487 -0.101 0.000 1.529 941 N HN 0.029 nan 8.380 nan 0.000 0.491 942 F N 0.541 120.512 119.950 0.034 0.000 2.385 942 F HA 0.337 4.846 4.527 -0.030 0.000 0.336 942 F C 0.835 176.626 175.800 -0.015 0.000 1.100 942 F CA -0.455 57.552 58.000 0.012 0.000 1.116 942 F CB 1.272 40.271 39.000 -0.002 0.000 1.166 942 F HN 0.249 nan 8.300 nan 0.000 0.511 943 E N 2.924 123.227 120.200 0.173 0.000 2.191 943 E HA 0.107 4.439 4.350 -0.030 0.000 0.263 943 E C -1.118 175.469 176.600 -0.023 0.000 0.881 943 E CA -0.664 55.771 56.400 0.058 0.000 0.757 943 E CB 1.337 31.041 29.700 0.007 0.000 1.147 943 E HN 0.627 nan 8.360 nan 0.000 0.414 944 E N 5.790 125.985 120.200 -0.008 0.000 1.858 944 E HA 0.046 4.378 4.350 -0.030 0.000 0.267 944 E C 0.860 177.416 176.600 -0.074 0.000 1.215 944 E CA -0.045 56.314 56.400 -0.068 0.000 0.952 944 E CB 0.273 29.994 29.700 0.034 0.000 1.058 944 E HN 0.639 nan 8.360 nan 0.000 0.407 945 I N 2.620 123.107 120.570 -0.139 0.000 2.133 945 I HA -0.061 4.091 4.170 -0.030 0.000 0.238 945 I C 0.970 177.041 176.117 -0.077 0.000 1.074 945 I CA 0.767 61.992 61.300 -0.124 0.000 1.342 945 I CB -0.048 37.820 38.000 -0.221 0.000 1.053 945 I HN 0.435 nan 8.210 nan 0.000 0.404 946 A N 0.453 123.200 122.820 -0.121 0.000 2.608 946 A HA 0.716 5.018 4.320 -0.030 0.000 0.292 946 A C -0.862 176.598 177.584 -0.207 0.000 1.066 946 A CA -0.665 51.320 52.037 -0.087 0.000 0.676 946 A CB 1.549 20.539 19.000 -0.016 0.000 1.277 946 A HN 0.325 nan 8.150 nan 0.000 0.413 947 R N 0.479 120.803 120.500 -0.294 0.000 2.774 947 R HA 0.690 5.012 4.340 -0.030 0.000 0.272 947 R C -1.787 174.157 176.300 -0.594 0.000 1.000 947 R CA -0.649 55.153 56.100 -0.497 0.000 0.906 947 R CB 1.584 31.494 30.300 -0.650 0.000 1.227 947 R HN 0.547 nan 8.270 nan 0.000 0.468 948 D N 1.161 121.286 120.400 -0.457 0.000 2.313 948 D HA 0.201 4.823 4.640 -0.030 0.000 0.239 948 D C -0.415 175.631 176.300 -0.423 0.000 1.142 948 D CA -0.530 53.281 54.000 -0.315 0.000 0.847 948 D CB 0.481 41.190 40.800 -0.152 0.000 1.082 948 D HN 0.508 nan 8.370 nan 0.000 0.480 949 F N 1.697 121.535 119.950 -0.186 0.000 2.797 949 F HA 0.192 4.701 4.527 -0.030 0.000 0.302 949 F C 0.624 176.343 175.800 -0.136 0.000 1.130 949 F CA -0.383 57.510 58.000 -0.179 0.000 1.387 949 F CB -0.329 38.532 39.000 -0.232 0.000 1.107 949 F HN 0.226 nan 8.300 nan 0.000 0.577 950 N N 2.073 120.754 118.700 -0.032 0.000 2.442 950 N HA 0.131 4.853 4.740 -0.030 0.000 0.265 950 N C -2.649 172.794 175.510 -0.111 0.000 1.138 950 N CA -1.321 51.682 53.050 -0.077 0.000 0.956 950 N CB 0.302 38.695 38.487 -0.157 0.000 1.067 950 N HN -0.181 nan 8.380 nan 0.000 0.474 951 P HA 0.068 nan 4.420 nan 0.000 0.265 951 P C -1.091 176.159 177.300 -0.083 0.000 1.222 951 P CA 0.245 63.283 63.100 -0.103 0.000 0.767 951 P CB 0.440 32.107 31.700 -0.054 0.000 0.801 952 N N 2.608 121.230 118.700 -0.130 0.000 2.295 952 N HA 0.184 4.906 4.740 -0.030 0.000 0.293 952 N C -1.200 174.281 175.510 -0.048 0.000 1.040 952 N CA -0.471 52.572 53.050 -0.011 0.000 0.840 952 N CB 1.075 39.568 38.487 0.011 0.000 1.468 952 N HN 0.253 nan 8.380 nan 0.000 0.478 953 W N 2.916 124.230 121.300 0.024 0.000 2.507 953 W HA 0.312 4.954 4.660 -0.029 0.000 0.334 953 W C 0.370 176.920 176.519 0.052 0.000 1.165 953 W CA -0.503 56.862 57.345 0.034 0.000 1.460 953 W CB 0.158 29.626 29.460 0.014 0.000 1.404 953 W HN 0.164 nan 8.180 nan 0.000 0.435 954 M N 2.418 122.157 119.600 0.232 0.000 2.242 954 M HA 0.102 4.564 4.480 -0.030 0.000 0.344 954 M C 1.297 177.694 176.300 0.162 0.000 1.140 954 M CA 0.155 55.567 55.300 0.186 0.000 1.160 954 M CB 1.044 33.785 32.600 0.235 0.000 1.491 954 M HN 0.531 nan 8.290 nan 0.000 0.459 955 S N 0.151 115.731 115.700 -0.201 0.000 2.619 955 S HA 0.630 5.082 4.470 -0.030 0.000 0.238 955 S C 0.352 174.424 174.600 -0.878 0.000 1.068 955 S CA 0.224 58.185 58.200 -0.399 0.000 0.926 955 S CB 0.589 63.321 63.200 -0.780 0.000 0.864 955 S HN 0.871 nan 8.310 nan 0.000 0.493 956 A N 0.178 122.528 122.820 -0.783 0.000 2.605 956 A HA 0.743 5.045 4.320 -0.030 0.000 0.294 956 A C -1.621 175.862 177.584 -0.169 0.000 1.062 956 A CA -0.566 51.102 52.037 -0.615 0.000 0.682 956 A CB 1.463 20.180 19.000 -0.470 0.000 1.278 956 A HN 0.554 nan 8.150 nan 0.000 0.410 957 V N 0.566 120.490 119.914 0.016 0.000 2.971 957 V HA 0.845 4.947 4.120 -0.030 0.000 0.309 957 V C -1.107 175.003 176.094 0.026 0.000 1.130 957 V CA -0.304 61.999 62.300 0.004 0.000 0.964 957 V CB 2.231 34.061 31.823 0.012 0.000 1.029 957 V HN 1.135 nan 8.190 nan 0.000 0.427 958 E N 2.637 122.725 120.200 -0.187 0.000 2.372 958 E HA 0.565 4.897 4.350 -0.030 0.000 0.279 958 E C -1.695 174.885 176.600 -0.033 0.000 0.946 958 E CA -0.442 55.865 56.400 -0.155 0.000 0.769 958 E CB 1.868 31.297 29.700 -0.451 0.000 1.230 958 E HN 0.542 nan 8.360 nan 0.000 0.442 959 I N 5.626 126.272 120.570 0.128 0.000 2.331 959 I HA 0.211 4.364 4.170 -0.030 0.000 0.292 959 I C 0.893 177.094 176.117 0.139 0.000 0.998 959 I CA -0.270 61.149 61.300 0.199 0.000 1.267 959 I CB 0.886 39.049 38.000 0.271 0.000 1.386 959 I HN 0.570 nan 8.210 nan 0.000 0.476 960 L N 4.511 125.727 121.223 -0.011 0.000 2.168 960 L HA 0.118 4.440 4.340 -0.030 0.000 0.203 960 L C 0.104 176.956 176.870 -0.029 0.000 1.078 960 L CA 0.656 55.496 54.840 -0.001 0.000 0.780 960 L CB -0.224 41.765 42.059 -0.118 0.000 0.939 960 L HN 0.754 nan 8.230 nan 0.000 0.451 961 D N -4.167 116.147 120.400 -0.144 0.000 2.851 961 D HA 0.043 4.665 4.640 -0.030 0.000 0.339 961 D C -0.113 176.048 176.300 -0.232 0.000 1.347 961 D CA -0.623 53.282 54.000 -0.159 0.000 0.888 961 D CB 0.067 40.777 40.800 -0.150 0.000 1.431 961 D HN -0.285 nan 8.370 nan 0.000 0.509 962 D N -0.709 119.566 120.400 -0.208 0.000 2.263 962 D HA -0.086 4.536 4.640 -0.030 0.000 0.208 962 D C 0.283 176.490 176.300 -0.155 0.000 0.971 962 D CA 1.052 54.930 54.000 -0.204 0.000 0.867 962 D CB 0.144 40.779 40.800 -0.275 0.000 0.929 962 D HN 0.357 nan 8.370 nan 0.000 0.492 963 D N -0.300 119.923 120.400 -0.295 0.000 2.423 963 D HA 0.053 4.675 4.640 -0.030 0.000 0.212 963 D C 0.280 176.183 176.300 -0.662 0.000 1.060 963 D CA 0.149 53.967 54.000 -0.304 0.000 0.872 963 D CB 0.696 41.397 40.800 -0.165 0.000 1.012 963 D HN 0.116 nan 8.370 nan 0.000 0.503 964 N N 0.649 118.846 118.700 -0.838 0.000 2.342 964 N HA 0.317 5.039 4.740 -0.030 0.000 0.293 964 N C -1.162 173.834 175.510 -0.857 0.000 1.026 964 N CA -0.271 52.344 53.050 -0.726 0.000 0.857 964 N CB 1.823 40.080 38.487 -0.383 0.000 1.256 964 N HN -0.140 nan 8.380 nan 0.000 0.484 965 F N 1.341 121.253 119.950 -0.064 0.000 2.507 965 F HA 0.408 4.917 4.527 -0.030 0.000 0.328 965 F C 0.232 175.919 175.800 -0.188 0.000 1.136 965 F CA -0.825 57.118 58.000 -0.095 0.000 0.930 965 F CB 1.920 40.894 39.000 -0.045 0.000 1.166 965 F HN 0.101 nan 8.300 nan 0.000 0.436 966 L N 3.022 124.154 121.223 -0.152 0.000 2.292 966 L HA 0.761 5.083 4.340 -0.030 0.000 0.284 966 L C 0.064 176.607 176.870 -0.545 0.000 1.065 966 L CA -0.211 54.394 54.840 -0.391 0.000 0.806 966 L CB 1.158 42.858 42.059 -0.599 0.000 1.175 966 L HN 0.841 nan 8.230 nan 0.000 0.431 967 G N 3.127 111.450 108.800 -0.795 0.000 2.566 967 G HA2 0.689 4.631 3.960 -0.030 0.000 0.311 967 G HA3 0.689 4.631 3.960 -0.030 0.000 0.311 967 G C -1.343 173.198 174.900 -0.599 0.000 1.322 967 G CA -0.379 44.160 45.100 -0.935 0.000 0.969 967 G HN 0.797 nan 8.290 nan 0.000 0.490 968 A N 1.635 124.331 122.820 -0.206 0.000 2.337 968 A HA 0.855 5.157 4.320 -0.030 0.000 0.329 968 A C -0.282 177.197 177.584 -0.175 0.000 1.146 968 A CA -0.645 51.297 52.037 -0.158 0.000 0.800 968 A CB 1.865 20.750 19.000 -0.191 0.000 1.220 968 A HN 0.624 nan 8.150 nan 0.000 0.472 969 E N 1.306 121.407 120.200 -0.165 0.000 2.369 969 E HA 0.212 4.544 4.350 -0.030 0.000 0.270 969 E C -0.199 176.252 176.600 -0.248 0.000 0.909 969 E CA -0.668 55.687 56.400 -0.074 0.000 0.775 969 E CB 1.460 31.259 29.700 0.165 0.000 1.270 969 E HN 0.775 nan 8.360 nan 0.000 0.445 970 N N 1.195 119.817 118.700 -0.130 0.000 2.258 970 N HA -0.172 4.550 4.740 -0.030 0.000 0.187 970 N C 0.752 176.004 175.510 -0.430 0.000 1.012 970 N CA 1.218 54.196 53.050 -0.119 0.000 0.870 970 N CB 0.102 38.606 38.487 0.029 0.000 0.977 970 N HN 0.421 nan 8.380 nan 0.000 0.434 971 A N -0.174 122.368 122.820 -0.463 0.000 2.684 971 A HA 0.279 4.581 4.320 -0.030 0.000 0.288 971 A C -0.144 177.102 177.584 -0.563 0.000 1.337 971 A CA -0.477 51.177 52.037 -0.638 0.000 0.946 971 A CB -0.780 18.027 19.000 -0.320 0.000 1.093 971 A HN 0.395 nan 8.150 nan 0.000 0.543 972 F N -1.616 118.249 119.950 -0.142 0.000 3.018 972 F HA -0.224 4.286 4.527 -0.030 0.000 0.287 972 F C 0.221 175.702 175.800 -0.532 0.000 0.813 972 F CA 0.390 58.205 58.000 -0.309 0.000 1.209 972 F CB -2.296 36.520 39.000 -0.307 0.000 1.321 972 F HN 0.433 nan 8.300 nan 0.000 0.477 973 N N 1.397 119.916 118.700 -0.302 0.000 2.370 973 N HA 0.762 5.484 4.740 -0.030 0.000 0.303 973 N C -0.372 175.078 175.510 -0.100 0.000 1.103 973 N CA -0.658 52.226 53.050 -0.277 0.000 0.848 973 N CB 2.268 40.483 38.487 -0.453 0.000 1.235 973 N HN 0.088 nan 8.380 nan 0.000 0.496 974 L N 1.454 122.629 121.223 -0.081 0.000 2.334 974 L HA 0.613 4.935 4.340 -0.030 0.000 0.275 974 L C -0.578 176.378 176.870 0.143 0.000 1.036 974 L CA -0.930 53.853 54.840 -0.095 0.000 0.807 974 L CB 0.707 42.574 42.059 -0.321 0.000 1.231 974 L HN 0.549 nan 8.230 nan 0.000 0.438 975 F N 0.353 120.363 119.950 0.100 0.000 2.645 975 F HA 0.814 5.323 4.527 -0.030 0.000 0.310 975 F C -1.398 174.518 175.800 0.194 0.000 1.102 975 F CA -1.098 57.013 58.000 0.185 0.000 0.952 975 F CB 1.348 40.424 39.000 0.127 0.000 1.326 975 F HN 0.006 nan 8.300 nan 0.000 0.456 976 V N 1.821 121.967 119.914 0.386 0.000 2.540 976 V HA 0.501 4.603 4.120 -0.030 0.000 0.302 976 V C -0.710 175.518 176.094 0.223 0.000 1.035 976 V CA -0.644 61.758 62.300 0.170 0.000 0.873 976 V CB 1.531 33.358 31.823 0.007 0.000 0.992 976 V HN 1.108 nan 8.190 nan 0.000 0.428 977 C N 4.195 123.633 119.300 0.230 0.000 2.435 977 C HA 0.688 5.130 4.460 -0.030 0.000 0.333 977 C C 0.012 175.125 174.990 0.206 0.000 1.202 977 C CA -0.611 58.562 59.018 0.257 0.000 1.830 977 C CB 1.297 29.248 27.740 0.351 0.000 2.326 977 C HN 0.876 nan 8.230 nan 0.000 0.507 978 Q N 0.923 120.812 119.800 0.148 0.000 2.413 978 Q HA 0.356 4.678 4.340 -0.030 0.000 0.276 978 Q C -0.941 175.157 176.000 0.162 0.000 1.099 978 Q CA -0.762 55.097 55.803 0.094 0.000 0.814 978 Q CB 2.134 30.864 28.738 -0.015 0.000 1.379 978 Q HN 0.580 nan 8.270 nan 0.000 0.436 979 K N 1.517 122.024 120.400 0.177 0.000 2.451 979 K HA -0.012 4.290 4.320 -0.030 0.000 0.280 979 K C -0.474 176.179 176.600 0.089 0.000 1.020 979 K CA -0.001 56.377 56.287 0.152 0.000 1.008 979 K CB 0.372 32.970 32.500 0.163 0.000 0.917 979 K HN 0.438 nan 8.250 nan 0.000 0.478 980 D N 2.021 122.474 120.400 0.088 0.000 2.402 980 D HA -0.061 4.561 4.640 -0.030 0.000 0.268 980 D C 0.994 177.319 176.300 0.041 0.000 1.294 980 D CA 0.287 54.323 54.000 0.059 0.000 0.945 980 D CB 0.604 41.442 40.800 0.063 0.000 1.112 980 D HN 0.531 nan 8.370 nan 0.000 0.517 981 S N 2.584 118.299 115.700 0.024 0.000 2.461 981 S HA -0.025 4.427 4.470 -0.030 0.000 0.228 981 S C 1.253 175.861 174.600 0.014 0.000 1.005 981 S CA 0.197 58.407 58.200 0.017 0.000 0.942 981 S CB 0.219 63.421 63.200 0.005 0.000 0.776 981 S HN 0.423 nan 8.310 nan 0.000 0.514 982 A N 1.635 124.461 122.820 0.010 0.000 3.063 982 A HA 0.708 5.010 4.320 -0.030 0.000 0.263 982 A C 0.713 178.300 177.584 0.004 0.000 1.736 982 A CA -0.043 51.997 52.037 0.005 0.000 1.408 982 A CB -1.262 17.738 19.000 -0.000 0.000 1.108 982 A HN 0.710 nan 8.150 nan 0.000 0.621 983 A N 2.025 124.851 122.820 0.010 0.000 2.770 983 A HA 0.397 4.700 4.320 -0.030 0.000 0.292 983 A C 1.440 179.025 177.584 0.002 0.000 1.604 983 A CA 0.451 52.494 52.037 0.011 0.000 1.271 983 A CB -0.849 18.162 19.000 0.018 0.000 1.075 983 A HN 0.822 nan 8.150 nan 0.000 0.573 984 T N 0.450 115.000 114.554 -0.007 0.000 2.925 984 T HA 0.174 4.506 4.350 -0.030 0.000 0.232 984 T C 1.083 175.775 174.700 -0.013 0.000 1.055 984 T CA 1.133 63.225 62.100 -0.014 0.000 1.419 984 T CB -0.775 68.078 68.868 -0.026 0.000 1.094 984 T HN 0.813 nan 8.240 nan 0.000 0.423 985 T N -0.687 113.854 114.554 -0.022 0.000 2.949 985 T HA 0.422 4.754 4.350 -0.030 0.000 0.287 985 T C 0.207 174.902 174.700 -0.008 0.000 1.034 985 T CA -0.739 61.350 62.100 -0.017 0.000 1.018 985 T CB 1.397 70.249 68.868 -0.027 0.000 1.135 985 T HN 0.089 nan 8.240 nan 0.000 0.532 986 D N 0.126 120.528 120.400 0.003 0.000 2.221 986 D HA -0.107 4.515 4.640 -0.030 0.000 0.204 986 D C 1.783 178.102 176.300 0.031 0.000 0.982 986 D CA 1.413 55.425 54.000 0.020 0.000 0.857 986 D CB -0.205 40.607 40.800 0.020 0.000 0.934 986 D HN 0.845 nan 8.370 nan 0.000 0.475 987 E N 1.405 121.605 120.200 0.001 0.000 2.038 987 E HA -0.224 4.108 4.350 -0.030 0.000 0.195 987 E C 1.637 178.197 176.600 -0.067 0.000 1.000 987 E CA 1.564 57.952 56.400 -0.020 0.000 0.803 987 E CB -0.138 29.520 29.700 -0.069 0.000 0.750 987 E HN 0.145 nan 8.360 nan 0.000 0.448 988 E N -0.813 119.321 120.200 -0.110 0.000 2.299 988 E HA 0.018 4.350 4.350 -0.030 0.000 0.193 988 E C 1.873 178.477 176.600 0.007 0.000 0.998 988 E CA 0.531 56.835 56.400 -0.160 0.000 0.851 988 E CB 0.006 29.627 29.700 -0.131 0.000 0.795 988 E HN 0.032 nan 8.360 nan 0.000 0.492 989 R N 0.515 121.043 120.500 0.046 0.000 2.236 989 R HA 0.045 4.367 4.340 -0.030 0.000 0.208 989 R C 1.219 177.594 176.300 0.125 0.000 1.036 989 R CA 0.913 57.059 56.100 0.076 0.000 1.001 989 R CB 0.145 30.474 30.300 0.050 0.000 0.896 989 R HN 0.145 nan 8.270 nan 0.000 0.464 990 Q N -0.897 119.022 119.800 0.198 0.000 2.320 990 Q HA 0.057 4.379 4.340 -0.030 0.000 0.201 990 Q C -0.541 175.684 176.000 0.374 0.000 0.910 990 Q CA 0.172 56.123 55.803 0.247 0.000 0.946 990 Q CB 0.433 29.324 28.738 0.255 0.000 1.062 990 Q HN 0.457 nan 8.270 nan 0.000 0.503 991 H N 0.403 119.579 119.070 0.178 0.000 2.551 991 H HA 0.269 4.807 4.556 -0.030 0.000 0.321 991 H C -0.592 174.807 175.328 0.118 0.000 1.028 991 H CA -0.611 55.574 56.048 0.229 0.000 1.215 991 H CB 1.145 31.020 29.762 0.188 0.000 1.414 991 H HN 0.054 nan 8.280 nan 0.000 0.480 992 L N 3.203 124.507 121.223 0.136 0.000 2.380 992 L HA 0.103 4.425 4.340 -0.030 0.000 0.273 992 L C 0.224 177.162 176.870 0.114 0.000 1.138 992 L CA -0.232 54.674 54.840 0.109 0.000 0.832 992 L CB 0.677 42.769 42.059 0.055 0.000 1.124 992 L HN 0.430 nan 8.230 nan 0.000 0.454 993 Q N 2.037 121.900 119.800 0.105 0.000 2.271 993 Q HA 0.216 4.538 4.340 -0.030 0.000 0.258 993 Q C -0.830 175.201 176.000 0.052 0.000 0.936 993 Q CA -0.255 55.589 55.803 0.068 0.000 0.909 993 Q CB 1.459 30.227 28.738 0.050 0.000 1.253 993 Q HN 0.354 nan 8.270 nan 0.000 0.440 994 E N 2.199 122.404 120.200 0.009 0.000 1.858 994 E HA 0.026 4.358 4.350 -0.030 0.000 0.267 994 E C 0.527 177.125 176.600 -0.003 0.000 1.215 994 E CA -0.064 56.339 56.400 0.004 0.000 0.952 994 E CB 0.295 29.909 29.700 -0.143 0.000 1.058 994 E HN 0.537 nan 8.360 nan 0.000 0.407 995 V N 0.550 120.473 119.914 0.014 0.000 3.506 995 V HA 0.254 4.357 4.120 -0.030 0.000 0.263 995 V C 0.817 176.902 176.094 -0.015 0.000 1.203 995 V CA 0.310 62.590 62.300 -0.034 0.000 1.133 995 V CB 0.404 32.166 31.823 -0.102 0.000 0.802 995 V HN 0.377 nan 8.190 nan 0.000 0.459 996 G N 0.666 109.516 108.800 0.084 0.000 2.513 996 G HA2 0.739 4.681 3.960 -0.030 0.000 0.317 996 G HA3 0.739 4.681 3.960 -0.030 0.000 0.317 996 G C -1.419 173.746 174.900 0.442 0.000 1.277 996 G CA -0.689 44.566 45.100 0.258 0.000 0.955 996 G HN 0.258 nan 8.290 nan 0.000 0.484 997 L N 1.169 122.690 121.223 0.496 0.000 2.445 997 L HA 0.729 5.051 4.340 -0.030 0.000 0.262 997 L C -1.435 175.652 176.870 0.362 0.000 0.974 997 L CA -0.829 54.215 54.840 0.339 0.000 0.822 997 L CB 2.793 44.903 42.059 0.084 0.000 1.339 997 L HN 0.548 nan 8.230 nan 0.000 0.409 998 F N 1.062 120.999 119.950 -0.022 0.000 2.651 998 F HA 0.284 4.794 4.527 -0.030 0.000 0.327 998 F C -0.872 174.781 175.800 -0.246 0.000 1.133 998 F CA -0.517 57.323 58.000 -0.267 0.000 1.076 998 F CB 1.116 39.605 39.000 -0.852 0.000 1.315 998 F HN 0.539 nan 8.300 nan 0.000 0.499 999 H N 6.561 125.153 119.070 -0.798 0.000 2.800 999 H HA 0.322 4.859 4.556 -0.030 0.000 0.291 999 H C 0.363 175.077 175.328 -1.024 0.000 1.076 999 H CA 0.287 55.861 56.048 -0.791 0.000 1.452 999 H CB 1.079 30.352 29.762 -0.816 0.000 1.461 999 H HN 0.813 nan 8.280 nan 0.000 0.488 1000 L N 4.031 124.772 121.223 -0.803 0.000 2.202 1000 L HA 0.137 4.459 4.340 -0.030 0.000 0.205 1000 L C 1.391 177.982 176.870 -0.465 0.000 1.083 1000 L CA 1.306 55.889 54.840 -0.429 0.000 0.790 1000 L CB -0.217 41.724 42.059 -0.197 0.000 0.942 1000 L HN 1.063 nan 8.230 nan 0.000 0.452 1001 G N 0.185 108.574 108.800 -0.685 0.000 2.159 1001 G HA2 -0.200 3.742 3.960 -0.030 0.000 0.256 1001 G HA3 -0.200 3.742 3.960 -0.030 0.000 0.256 1001 G C 0.036 174.836 174.900 -0.167 0.000 0.977 1001 G CA 0.169 45.093 45.100 -0.295 0.000 0.652 1001 G HN 0.416 nan 8.290 nan 0.000 0.531 1002 E N -1.114 119.043 120.200 -0.072 0.000 2.336 1002 E HA 0.595 4.927 4.350 -0.030 0.000 0.267 1002 E C -1.255 175.477 176.600 0.220 0.000 0.906 1002 E CA -0.992 55.439 56.400 0.051 0.000 0.781 1002 E CB 1.839 31.600 29.700 0.103 0.000 1.261 1002 E HN 0.154 nan 8.360 nan 0.000 0.436 1003 F N 1.968 122.008 119.950 0.150 0.000 2.334 1003 F HA 0.243 4.753 4.527 -0.029 0.000 0.367 1003 F C -0.491 175.309 175.800 -0.000 0.000 1.115 1003 F CA -0.658 57.434 58.000 0.153 0.000 1.116 1003 F CB 0.659 39.795 39.000 0.227 0.000 1.230 1003 F HN 0.058 nan 8.300 nan 0.000 0.484 1004 V N 7.156 126.860 119.914 -0.350 0.000 2.461 1004 V HA 0.108 4.210 4.120 -0.030 0.000 0.275 1004 V C 0.505 176.365 176.094 -0.390 0.000 1.047 1004 V CA -0.258 61.813 62.300 -0.380 0.000 0.955 1004 V CB 1.099 32.509 31.823 -0.688 0.000 0.988 1004 V HN 0.764 nan 8.190 nan 0.000 0.471 1005 N N 2.597 121.187 118.700 -0.183 0.000 2.368 1005 N HA 0.147 4.870 4.740 -0.030 0.000 0.178 1005 N C -0.202 175.212 175.510 -0.161 0.000 1.076 1005 N CA 0.555 53.551 53.050 -0.089 0.000 0.889 1005 N CB 1.694 40.224 38.487 0.072 0.000 1.040 1005 N HN 0.486 nan 8.380 nan 0.000 0.463 1006 V N 0.718 120.478 119.914 -0.256 0.000 2.852 1006 V HA 0.443 4.545 4.120 -0.030 0.000 0.300 1006 V C -1.879 174.043 176.094 -0.286 0.000 1.205 1006 V CA -0.773 61.423 62.300 -0.174 0.000 0.940 1006 V CB 1.213 33.023 31.823 -0.023 0.000 1.047 1006 V HN -0.099 nan 8.190 nan 0.000 0.429 1007 F N 5.741 125.698 119.950 0.011 0.000 2.458 1007 F HA 0.850 5.359 4.527 -0.029 0.000 0.330 1007 F C 0.355 176.164 175.800 0.016 0.000 1.082 1007 F CA -0.221 57.790 58.000 0.018 0.000 0.995 1007 F CB 1.830 40.801 39.000 -0.048 0.000 1.170 1007 F HN 0.881 nan 8.300 nan 0.000 0.478 1008 C N 0.558 119.976 119.300 0.197 0.000 2.985 1008 C HA 0.453 4.895 4.460 -0.030 0.000 0.332 1008 C C -0.947 174.077 174.990 0.055 0.000 1.164 1008 C CA -0.990 58.107 59.018 0.132 0.000 1.347 1008 C CB 0.915 28.741 27.740 0.143 0.000 1.764 1008 C HN 0.823 nan 8.230 nan 0.000 0.489 1009 H N 1.342 120.480 119.070 0.114 0.000 2.803 1009 H HA 0.581 5.119 4.556 -0.030 0.000 0.330 1009 H C 0.770 176.139 175.328 0.069 0.000 1.057 1009 H CA 1.975 58.072 56.048 0.081 0.000 1.458 1009 H CB 1.327 31.123 29.762 0.058 0.000 1.470 1009 H HN 1.366 nan 8.280 nan 0.000 0.560 1010 G N 0.797 109.689 108.800 0.154 0.000 2.356 1010 G HA2 0.219 4.161 3.960 -0.030 0.000 0.300 1010 G HA3 0.219 4.161 3.960 -0.030 0.000 0.300 1010 G C -1.504 173.438 174.900 0.070 0.000 1.331 1010 G CA -0.443 44.719 45.100 0.102 0.000 0.905 1010 G HN 0.614 nan 8.290 nan 0.000 0.587 1011 S N -1.627 114.105 115.700 0.053 0.000 2.556 1011 S HA 0.656 5.109 4.470 -0.030 0.000 0.271 1011 S C 0.326 174.946 174.600 0.034 0.000 1.135 1011 S CA -0.657 57.568 58.200 0.041 0.000 0.858 1011 S CB 1.498 64.718 63.200 0.033 0.000 1.114 1011 S HN 0.797 nan 8.310 nan 0.000 0.468 1012 L N 2.562 123.805 121.223 0.033 0.000 2.640 1012 L HA 0.354 4.676 4.340 -0.030 0.000 0.230 1012 L C -0.318 176.565 176.870 0.021 0.000 1.123 1012 L CA -0.013 54.845 54.840 0.030 0.000 0.900 1012 L CB 0.661 42.740 42.059 0.034 0.000 1.146 1012 L HN 0.365 nan 8.230 nan 0.000 0.484 1013 V N 0.947 120.870 119.914 0.015 0.000 2.488 1013 V HA 0.110 4.212 4.120 -0.030 0.000 0.277 1013 V C 0.737 176.830 176.094 -0.002 0.000 1.046 1013 V CA 0.034 62.334 62.300 -0.000 0.000 0.986 1013 V CB 1.229 33.046 31.823 -0.011 0.000 0.989 1013 V HN 0.227 nan 8.190 nan 0.000 0.475 1014 M N 3.327 122.923 119.600 -0.006 0.000 1.921 1014 M HA 0.354 4.816 4.480 -0.030 0.000 0.243 1014 M C 0.093 176.387 176.300 -0.010 0.000 1.280 1014 M CA 0.346 55.643 55.300 -0.005 0.000 0.988 1014 M CB 0.925 33.520 32.600 -0.008 0.000 1.336 1014 M HN 0.800 nan 8.290 nan 0.000 0.496 1024 T N -1.212 113.116 114.554 -0.375 0.000 2.930 1024 T HA 0.737 5.069 4.350 -0.030 0.000 0.290 1024 T C -0.772 173.809 174.700 -0.198 0.000 1.052 1024 T CA -0.546 61.359 62.100 -0.325 0.000 1.017 1024 T CB 2.727 71.421 68.868 -0.289 0.000 1.137 1024 T HN 0.145 nan 8.240 nan 0.000 0.511 1025 Q N 0.440 120.148 119.800 -0.153 0.000 2.322 1025 Q HA 0.588 4.910 4.340 -0.030 0.000 0.265 1025 Q C 0.127 176.093 176.000 -0.056 0.000 0.985 1025 Q CA 0.819 56.563 55.803 -0.099 0.000 0.849 1025 Q CB 0.785 29.466 28.738 -0.096 0.000 1.274 1025 Q HN 1.609 nan 8.270 nan 0.000 0.449 1026 G N 1.846 110.629 108.800 -0.028 0.000 2.712 1026 G HA2 0.010 3.952 3.960 -0.030 0.000 0.686 1026 G HA3 0.010 3.952 3.960 -0.030 0.000 0.686 1026 G C -0.832 174.089 174.900 0.036 0.000 1.321 1026 G CA -0.303 44.809 45.100 0.020 0.000 0.813 1026 G HN 1.016 nan 8.290 nan 0.000 0.599 1027 S N -0.462 115.286 115.700 0.080 0.000 2.609 1027 S HA 0.553 5.005 4.470 -0.030 0.000 0.250 1027 S C -0.482 174.154 174.600 0.059 0.000 1.112 1027 S CA -0.114 58.127 58.200 0.069 0.000 1.102 1027 S CB 1.055 64.291 63.200 0.060 0.000 1.124 1027 S HN 1.516 nan 8.310 nan 0.000 0.460 1028 V N 6.444 126.372 119.914 0.023 0.000 2.384 1028 V HA 0.531 4.633 4.120 -0.030 0.000 0.287 1028 V C -0.036 176.130 176.094 0.121 0.000 1.020 1028 V CA -0.591 61.697 62.300 -0.020 0.000 0.850 1028 V CB 1.331 33.084 31.823 -0.118 0.000 0.987 1028 V HN 0.766 nan 8.190 nan 0.000 0.436 1029 L N 5.510 126.794 121.223 0.102 0.000 2.399 1029 L HA 0.712 5.034 4.340 -0.030 0.000 0.265 1029 L C -0.509 176.463 176.870 0.170 0.000 1.089 1029 L CA -0.400 54.466 54.840 0.044 0.000 0.802 1029 L CB 1.281 43.334 42.059 -0.010 0.000 1.180 1029 L HN 0.728 nan 8.230 nan 0.000 0.454 1030 F N -0.890 119.063 119.950 0.005 0.000 2.591 1030 F HA 0.836 5.345 4.527 -0.030 0.000 0.309 1030 F C -0.132 175.587 175.800 -0.135 0.000 1.098 1030 F CA -0.967 56.947 58.000 -0.143 0.000 0.937 1030 F CB 1.140 39.943 39.000 -0.329 0.000 1.250 1030 F HN 0.369 nan 8.300 nan 0.000 0.447 1031 G N 0.485 109.305 108.800 0.033 0.000 2.400 1031 G HA2 0.625 4.567 3.960 -0.030 0.000 0.333 1031 G HA3 0.625 4.567 3.960 -0.030 0.000 0.333 1031 G C -1.100 173.835 174.900 0.058 0.000 1.143 1031 G CA -0.492 44.616 45.100 0.014 0.000 0.914 1031 G HN 1.077 nan 8.290 nan 0.000 0.480 1032 T N -1.873 112.727 114.554 0.077 0.000 2.887 1032 T HA 0.388 4.720 4.350 -0.030 0.000 0.292 1032 T C 1.137 175.899 174.700 0.103 0.000 1.087 1032 T CA -0.442 61.728 62.100 0.117 0.000 1.009 1032 T CB 1.454 70.413 68.868 0.153 0.000 1.203 1032 T HN 0.246 nan 8.240 nan 0.000 0.518 1033 V N 1.589 121.593 119.914 0.150 0.000 2.392 1033 V HA -0.165 3.937 4.120 -0.030 0.000 0.249 1033 V C 2.282 178.399 176.094 0.038 0.000 1.059 1033 V CA 2.319 64.668 62.300 0.081 0.000 1.051 1033 V CB -1.127 30.733 31.823 0.061 0.000 0.658 1033 V HN 0.899 nan 8.190 nan 0.000 0.455 1034 N N -0.522 118.206 118.700 0.047 0.000 2.461 1034 N HA 0.176 4.899 4.740 -0.030 0.000 0.188 1034 N C 1.336 176.858 175.510 0.019 0.000 1.134 1034 N CA 0.605 53.669 53.050 0.024 0.000 0.878 1034 N CB 0.446 38.946 38.487 0.021 0.000 0.972 1034 N HN 0.578 nan 8.380 nan 0.000 0.456 1035 G N 0.587 109.399 108.800 0.020 0.000 2.175 1035 G HA2 -0.289 3.653 3.960 -0.030 0.000 0.244 1035 G HA3 -0.289 3.653 3.960 -0.030 0.000 0.244 1035 G C 0.203 175.103 174.900 0.000 0.000 0.982 1035 G CA -0.234 44.868 45.100 0.004 0.000 0.641 1035 G HN 0.231 nan 8.290 nan 0.000 0.527 1036 M N 1.162 120.772 119.600 0.017 0.000 2.248 1036 M HA 0.483 4.945 4.480 -0.030 0.000 0.345 1036 M C -0.074 176.199 176.300 -0.045 0.000 1.243 1036 M CA 0.525 55.828 55.300 0.006 0.000 1.090 1036 M CB 0.059 32.691 32.600 0.053 0.000 1.683 1036 M HN 0.225 nan 8.290 nan 0.000 0.450 1037 I N 4.165 124.663 120.570 -0.120 0.000 2.389 1037 I HA 0.503 4.655 4.170 -0.030 0.000 0.288 1037 I C 0.422 176.272 176.117 -0.444 0.000 0.999 1037 I CA -0.582 60.566 61.300 -0.255 0.000 1.129 1037 I CB 1.894 39.791 38.000 -0.172 0.000 1.288 1037 I HN 0.760 nan 8.210 nan 0.000 0.444 1038 G N 5.304 113.490 108.800 -1.025 0.000 2.644 1038 G HA2 0.772 4.714 3.960 -0.030 0.000 0.307 1038 G HA3 0.772 4.714 3.960 -0.030 0.000 0.307 1038 G C -1.753 172.532 174.900 -1.026 0.000 1.250 1038 G CA -0.564 43.795 45.100 -1.235 0.000 0.996 1038 G HN 0.432 nan 8.290 nan 0.000 0.489 1039 L N 0.156 121.140 121.223 -0.398 0.000 2.408 1039 L HA 0.795 5.117 4.340 -0.030 0.000 0.268 1039 L C -1.078 175.912 176.870 0.199 0.000 0.986 1039 L CA -0.726 54.085 54.840 -0.048 0.000 0.820 1039 L CB 2.390 44.450 42.059 0.003 0.000 1.303 1039 L HN 0.346 nan 8.230 nan 0.000 0.411 1040 V N 3.589 123.659 119.914 0.260 0.000 2.487 1040 V HA 0.773 4.875 4.120 -0.030 0.000 0.298 1040 V C -0.109 176.068 176.094 0.138 0.000 1.028 1040 V CA -0.290 62.150 62.300 0.234 0.000 0.860 1040 V CB 1.590 33.551 31.823 0.231 0.000 0.991 1040 V HN 0.915 nan 8.190 nan 0.000 0.427 1041 T N 2.707 117.347 114.554 0.142 0.000 2.883 1041 T HA 0.531 4.863 4.350 -0.030 0.000 0.301 1041 T C -0.461 174.262 174.700 0.038 0.000 1.158 1041 T CA -0.238 61.906 62.100 0.074 0.000 1.007 1041 T CB 1.999 70.903 68.868 0.061 0.000 1.186 1041 T HN 0.614 nan 8.240 nan 0.000 0.499 1042 S N 1.853 117.538 115.700 -0.025 0.000 2.616 1042 S HA 0.768 5.220 4.470 -0.030 0.000 0.277 1042 S C -0.706 173.862 174.600 -0.054 0.000 1.234 1042 S CA -0.611 57.561 58.200 -0.046 0.000 1.028 1042 S CB 0.407 63.565 63.200 -0.070 0.000 0.988 1042 S HN 0.509 nan 8.310 nan 0.000 0.522 1043 L N 1.562 122.787 121.223 0.004 0.000 2.354 1043 L HA 0.550 4.872 4.340 -0.030 0.000 0.264 1043 L C 0.301 177.206 176.870 0.058 0.000 1.008 1043 L CA -0.861 53.984 54.840 0.007 0.000 0.819 1043 L CB 2.114 44.254 42.059 0.134 0.000 1.339 1043 L HN 0.699 nan 8.230 nan 0.000 0.420 1044 S N -1.141 114.573 115.700 0.024 0.000 2.614 1044 S HA 0.113 4.565 4.470 -0.030 0.000 0.265 1044 S C 0.837 175.422 174.600 -0.025 0.000 1.303 1044 S CA -0.208 58.026 58.200 0.057 0.000 1.000 1044 S CB 1.057 64.312 63.200 0.090 0.000 0.935 1044 S HN 0.821 nan 8.310 nan 0.000 0.551 1045 E N 0.983 121.080 120.200 -0.172 0.000 2.204 1045 E HA -0.165 4.167 4.350 -0.030 0.000 0.194 1045 E C 1.773 178.268 176.600 -0.176 0.000 0.989 1045 E CA 1.347 57.436 56.400 -0.519 0.000 0.824 1045 E CB -0.480 28.977 29.700 -0.405 0.000 0.756 1045 E HN 0.735 nan 8.360 nan 0.000 0.477 1046 S N 0.277 115.965 115.700 -0.019 0.000 2.355 1046 S HA -0.159 4.293 4.470 -0.030 0.000 0.222 1046 S C 1.701 176.294 174.600 -0.011 0.000 1.031 1046 S CA 0.745 58.938 58.200 -0.012 0.000 0.993 1046 S CB -0.924 62.275 63.200 -0.001 0.000 0.859 1046 S HN 0.496 nan 8.310 nan 0.000 0.453 1047 W N 1.101 122.359 121.300 -0.070 0.000 2.358 1047 W HA 0.037 4.679 4.660 -0.030 0.000 0.303 1047 W C 2.485 178.985 176.519 -0.032 0.000 1.208 1047 W CA 0.707 58.019 57.345 -0.055 0.000 1.274 1047 W CB -1.022 28.407 29.460 -0.053 0.000 1.138 1047 W HN 0.428 nan 8.180 nan 0.000 0.515 1048 Y N 1.814 122.150 120.300 0.060 0.000 2.165 1048 Y HA -0.321 4.211 4.550 -0.030 0.000 0.286 1048 Y C 2.120 177.996 175.900 -0.040 0.000 1.155 1048 Y CA 2.220 60.308 58.100 -0.020 0.000 1.164 1048 Y CB -0.710 37.612 38.460 -0.229 0.000 0.978 1048 Y HN -0.134 nan 8.280 nan 0.000 0.513 1049 N N 0.324 118.998 118.700 -0.045 0.000 2.188 1049 N HA -0.165 4.557 4.740 -0.030 0.000 0.184 1049 N C 1.972 177.400 175.510 -0.136 0.000 1.018 1049 N CA 1.081 54.066 53.050 -0.108 0.000 0.858 1049 N CB -0.541 37.925 38.487 -0.035 0.000 0.989 1049 N HN 0.362 nan 8.380 nan 0.000 0.426 1050 L N 1.299 122.442 121.223 -0.133 0.000 1.994 1050 L HA -0.065 4.257 4.340 -0.030 0.000 0.208 1050 L C 1.895 178.682 176.870 -0.139 0.000 1.071 1050 L CA 1.469 56.210 54.840 -0.165 0.000 0.745 1050 L CB -0.871 41.029 42.059 -0.265 0.000 0.892 1050 L HN 0.119 nan 8.230 nan 0.000 0.431 1051 L N -1.185 119.978 121.223 -0.100 0.000 2.179 1051 L HA -0.180 4.142 4.340 -0.030 0.000 0.208 1051 L C 2.580 179.385 176.870 -0.108 0.000 1.096 1051 L CA 0.314 55.120 54.840 -0.058 0.000 0.779 1051 L CB -0.390 41.710 42.059 0.069 0.000 0.922 1051 L HN 0.273 nan 8.230 nan 0.000 0.443 1052 L N 0.266 121.352 121.223 -0.228 0.000 2.017 1052 L HA -0.269 4.053 4.340 -0.030 0.000 0.208 1052 L C 2.228 179.025 176.870 -0.120 0.000 1.073 1052 L CA 2.108 56.799 54.840 -0.249 0.000 0.745 1052 L CB -0.248 41.549 42.059 -0.437 0.000 0.894 1052 L HN 0.364 nan 8.230 nan 0.000 0.432 1053 D N -0.409 119.925 120.400 -0.109 0.000 2.117 1053 D HA -0.246 4.376 4.640 -0.030 0.000 0.197 1053 D C 2.318 178.587 176.300 -0.051 0.000 0.987 1053 D CA 1.417 55.379 54.000 -0.065 0.000 0.829 1053 D CB 0.002 40.762 40.800 -0.066 0.000 0.961 1053 D HN 0.212 nan 8.370 nan 0.000 0.460 1054 M N -0.175 119.384 119.600 -0.070 0.000 2.149 1054 M HA -0.200 4.262 4.480 -0.030 0.000 0.261 1054 M C 2.280 178.564 176.300 -0.027 0.000 1.064 1054 M CA 1.410 56.674 55.300 -0.060 0.000 1.102 1054 M CB -0.160 32.379 32.600 -0.102 0.000 1.369 1054 M HN 0.167 nan 8.290 nan 0.000 0.408 1055 Q N 0.067 119.845 119.800 -0.036 0.000 2.030 1055 Q HA -0.212 4.110 4.340 -0.030 0.000 0.204 1055 Q C 1.597 177.577 176.000 -0.033 0.000 0.986 1055 Q CA 1.989 57.763 55.803 -0.047 0.000 0.843 1055 Q CB -0.377 28.332 28.738 -0.047 0.000 0.904 1055 Q HN 0.630 nan 8.270 nan 0.000 0.420 1056 N N 0.023 118.718 118.700 -0.008 0.000 2.223 1056 N HA -0.143 4.579 4.740 -0.030 0.000 0.185 1056 N C 1.690 177.215 175.510 0.025 0.000 1.016 1056 N CA 0.950 54.011 53.050 0.018 0.000 0.863 1056 N CB 0.008 38.509 38.487 0.024 0.000 0.983 1056 N HN 0.122 nan 8.380 nan 0.000 0.429 1057 R N 0.399 120.912 120.500 0.020 0.000 2.062 1057 R HA 0.054 4.376 4.340 -0.030 0.000 0.229 1057 R C 2.031 178.365 176.300 0.056 0.000 1.128 1057 R CA 0.792 56.914 56.100 0.036 0.000 0.960 1057 R CB -0.370 29.950 30.300 0.033 0.000 0.855 1057 R HN 0.184 nan 8.270 nan 0.000 0.432 1058 L N 1.054 122.315 121.223 0.063 0.000 2.079 1058 L HA -0.197 4.125 4.340 -0.030 0.000 0.210 1058 L C 1.645 178.555 176.870 0.068 0.000 1.081 1058 L CA 0.987 55.878 54.840 0.086 0.000 0.752 1058 L CB -0.385 41.731 42.059 0.095 0.000 0.896 1058 L HN 0.234 nan 8.230 nan 0.000 0.433 1059 N N -0.045 118.682 118.700 0.046 0.000 2.459 1059 N HA -0.123 4.599 4.740 -0.030 0.000 0.181 1059 N C 1.605 177.166 175.510 0.085 0.000 1.046 1059 N CA 0.923 54.019 53.050 0.076 0.000 0.904 1059 N CB 0.029 38.556 38.487 0.067 0.000 0.964 1059 N HN 0.360 nan 8.380 nan 0.000 0.444 1060 K N -0.225 120.213 120.400 0.065 0.000 2.305 1060 K HA 0.113 4.415 4.320 -0.030 0.000 0.199 1060 K C 1.574 178.201 176.600 0.046 0.000 1.047 1060 K CA 0.269 56.589 56.287 0.055 0.000 0.976 1060 K CB 0.536 33.063 32.500 0.046 0.000 0.765 1060 K HN -0.061 nan 8.250 nan 0.000 0.474 1061 V N 1.033 120.977 119.914 0.049 0.000 2.581 1061 V HA 0.063 4.165 4.120 -0.030 0.000 0.240 1061 V C 0.947 177.058 176.094 0.029 0.000 1.054 1061 V CA 0.224 62.545 62.300 0.034 0.000 1.076 1061 V CB 0.153 31.998 31.823 0.036 0.000 0.748 1061 V HN 0.135 nan 8.190 nan 0.000 0.474 1062 I N 1.743 122.342 120.570 0.049 0.000 2.598 1062 I HA 0.006 4.159 4.170 -0.030 0.000 0.284 1062 I C 0.429 176.560 176.117 0.024 0.000 1.140 1062 I CA 0.508 61.834 61.300 0.043 0.000 1.420 1062 I CB 0.209 38.261 38.000 0.087 0.000 1.387 1062 I HN 0.164 nan 8.210 nan 0.000 0.553 1063 K N 5.080 125.467 120.400 -0.021 0.000 2.349 1063 K HA 0.160 4.462 4.320 -0.030 0.000 0.289 1063 K C -0.001 176.535 176.600 -0.107 0.000 1.064 1063 K CA -0.141 56.114 56.287 -0.054 0.000 0.947 1063 K CB 0.877 33.338 32.500 -0.066 0.000 1.007 1063 K HN 0.534 nan 8.250 nan 0.000 0.478 1064 S N 2.840 118.471 115.700 -0.116 0.000 2.489 1064 S HA 0.154 4.606 4.470 -0.030 0.000 0.277 1064 S C 0.081 174.552 174.600 -0.215 0.000 1.230 1064 S CA -0.871 57.190 58.200 -0.231 0.000 1.053 1064 S CB 0.599 63.724 63.200 -0.125 0.000 0.955 1064 S HN 0.301 nan 8.310 nan 0.000 0.488 1065 V N 5.693 125.450 119.914 -0.262 0.000 2.479 1065 V HA 0.422 4.524 4.120 -0.030 0.000 0.281 1065 V C 1.654 177.643 176.094 -0.175 0.000 1.031 1065 V CA 1.118 63.303 62.300 -0.192 0.000 1.038 1065 V CB 0.043 31.757 31.823 -0.182 0.000 0.981 1065 V HN 1.336 nan 8.190 nan 0.000 0.478 1066 G N 4.010 112.729 108.800 -0.135 0.000 2.176 1066 G HA2 -0.307 3.635 3.960 -0.030 0.000 0.253 1066 G HA3 -0.307 3.635 3.960 -0.030 0.000 0.253 1066 G C 0.438 175.239 174.900 -0.165 0.000 0.979 1066 G CA 0.163 45.198 45.100 -0.109 0.000 0.641 1066 G HN 0.879 nan 8.290 nan 0.000 0.530 1067 K N -0.986 119.287 120.400 -0.212 0.000 3.150 1067 K HA -0.185 4.117 4.320 -0.030 0.000 0.267 1067 K C 0.325 176.865 176.600 -0.100 0.000 1.028 1067 K CA 1.110 57.245 56.287 -0.254 0.000 0.753 1067 K CB -1.586 30.544 32.500 -0.617 0.000 1.288 1067 K HN 0.653 nan 8.250 nan 0.000 0.473 1068 I N 0.959 121.521 120.570 -0.014 0.000 2.365 1068 I HA 0.089 4.241 4.170 -0.030 0.000 0.291 1068 I C 0.792 177.054 176.117 0.242 0.000 1.004 1068 I CA -0.734 60.624 61.300 0.095 0.000 1.311 1068 I CB 1.085 39.151 38.000 0.110 0.000 1.401 1068 I HN 0.059 nan 8.210 nan 0.000 0.491 1069 E N 4.782 125.121 120.200 0.232 0.000 2.290 1069 E HA -0.031 4.301 4.350 -0.030 0.000 0.277 1069 E C 1.064 177.882 176.600 0.363 0.000 1.035 1069 E CA 0.332 56.902 56.400 0.284 0.000 0.873 1069 E CB 0.385 30.212 29.700 0.211 0.000 1.029 1069 E HN 0.435 nan 8.360 nan 0.000 0.419 1070 H N 3.043 122.244 119.070 0.218 0.000 2.387 1070 H HA -0.121 4.417 4.556 -0.030 0.000 0.299 1070 H C 1.158 176.514 175.328 0.045 0.000 1.099 1070 H CA 2.029 58.051 56.048 -0.044 0.000 1.315 1070 H CB 0.452 30.108 29.762 -0.176 0.000 1.380 1070 H HN 0.438 nan 8.280 nan 0.000 0.513 1071 S N 0.037 115.847 115.700 0.184 0.000 2.399 1071 S HA -0.126 4.326 4.470 -0.030 0.000 0.231 1071 S C 1.824 176.470 174.600 0.078 0.000 1.022 1071 S CA 1.043 59.316 58.200 0.121 0.000 0.983 1071 S CB -0.449 62.854 63.200 0.172 0.000 0.803 1071 S HN 0.457 nan 8.310 nan 0.000 0.480 1072 F N 1.403 121.366 119.950 0.022 0.000 2.098 1072 F HA -0.048 4.461 4.527 -0.030 0.000 0.294 1072 F C 2.090 177.873 175.800 -0.029 0.000 1.107 1072 F CA 1.354 59.362 58.000 0.013 0.000 1.234 1072 F CB -0.520 38.515 39.000 0.058 0.000 1.002 1072 F HN 0.372 nan 8.300 nan 0.000 0.472 1073 W N 1.669 122.877 121.300 -0.153 0.000 2.318 1073 W HA -0.243 4.399 4.660 -0.029 0.000 0.313 1073 W C 1.481 177.714 176.519 -0.476 0.000 1.221 1073 W CA 1.194 58.352 57.345 -0.311 0.000 1.266 1073 W CB -0.216 29.120 29.460 -0.208 0.000 1.150 1073 W HN -0.098 nan 8.180 nan 0.000 0.496 1074 R N 0.945 121.005 120.500 -0.733 0.000 2.310 1074 R HA 0.098 4.420 4.340 -0.030 0.000 0.202 1074 R C 0.585 176.542 176.300 -0.571 0.000 0.933 1074 R CA 0.204 55.731 56.100 -0.955 0.000 1.054 1074 R CB -0.725 29.031 30.300 -0.907 0.000 0.985 1074 R HN -0.072 nan 8.270 nan 0.000 0.489 1075 S N 1.648 117.102 115.700 -0.409 0.000 2.533 1075 S HA 0.035 4.487 4.470 -0.030 0.000 0.282 1075 S C -0.103 174.409 174.600 -0.146 0.000 1.304 1075 S CA -0.449 57.625 58.200 -0.210 0.000 1.063 1075 S CB 0.134 63.214 63.200 -0.202 0.000 0.881 1075 S HN 0.199 nan 8.310 nan 0.000 0.493 1076 F N 4.168 124.053 119.950 -0.109 0.000 2.593 1076 F HA 0.047 4.556 4.527 -0.029 0.000 0.393 1076 F C 0.447 176.257 175.800 0.017 0.000 1.037 1076 F CA 0.695 58.678 58.000 -0.029 0.000 1.195 1076 F CB 0.129 39.130 39.000 0.002 0.000 1.034 1076 F HN 0.659 nan 8.300 nan 0.000 0.552 1077 H N 4.004 122.804 119.070 -0.451 0.000 3.172 1077 H HA 0.364 4.902 4.556 -0.030 0.000 0.322 1077 H C -0.717 174.422 175.328 -0.315 0.000 1.003 1077 H CA -0.192 55.684 56.048 -0.287 0.000 1.466 1077 H CB 0.856 30.433 29.762 -0.309 0.000 1.673 1077 H HN 0.675 nan 8.280 nan 0.000 0.512 1078 T N 0.120 114.348 114.554 -0.544 0.000 2.910 1078 T HA 0.216 4.548 4.350 -0.030 0.000 0.287 1078 T C 1.149 175.628 174.700 -0.368 0.000 1.050 1078 T CA -0.735 61.130 62.100 -0.391 0.000 1.011 1078 T CB 1.692 70.456 68.868 -0.173 0.000 1.195 1078 T HN 0.660 nan 8.240 nan 0.000 0.540 1079 E N -0.078 120.008 120.200 -0.189 0.000 2.169 1079 E HA -0.256 4.076 4.350 -0.030 0.000 0.202 1079 E C 1.992 178.558 176.600 -0.057 0.000 1.016 1079 E CA 1.376 57.719 56.400 -0.095 0.000 0.817 1079 E CB 0.071 29.750 29.700 -0.036 0.000 0.736 1079 E HN 0.448 nan 8.360 nan 0.000 0.462 1080 R N 0.365 120.850 120.500 -0.026 0.000 2.064 1080 R HA 0.042 4.364 4.340 -0.030 0.000 0.221 1080 R C 1.068 177.376 176.300 0.013 0.000 1.136 1080 R CA 0.997 57.108 56.100 0.018 0.000 0.980 1080 R CB -0.031 30.302 30.300 0.055 0.000 0.876 1080 R HN 0.162 nan 8.270 nan 0.000 0.437 1081 K N -0.098 120.315 120.400 0.022 0.000 2.433 1081 K HA 0.445 4.747 4.320 -0.030 0.000 0.252 1081 K C -1.234 175.413 176.600 0.079 0.000 1.015 1081 K CA -0.731 55.598 56.287 0.069 0.000 0.860 1081 K CB 2.255 34.824 32.500 0.115 0.000 1.359 1081 K HN -0.283 nan 8.250 nan 0.000 0.452 1082 T N 1.479 116.113 114.554 0.134 0.000 2.965 1082 T HA 0.308 4.641 4.350 -0.030 0.000 0.306 1082 T C -1.410 173.384 174.700 0.157 0.000 0.991 1082 T CA -0.811 61.399 62.100 0.184 0.000 1.001 1082 T CB 0.987 69.993 68.868 0.229 0.000 0.984 1082 T HN 0.481 nan 8.240 nan 0.000 0.446 1083 E N 3.394 123.707 120.200 0.188 0.000 2.288 1083 E HA 0.451 4.784 4.350 -0.030 0.000 0.268 1083 E C -2.624 174.051 176.600 0.126 0.000 0.885 1083 E CA -2.416 54.063 56.400 0.132 0.000 0.767 1083 E CB 2.182 31.932 29.700 0.085 0.000 1.220 1083 E HN 0.271 nan 8.360 nan 0.000 0.427 1084 P HA 0.045 nan 4.420 nan 0.000 0.270 1084 P C -0.705 176.671 177.300 0.126 0.000 1.227 1084 P CA -0.176 62.981 63.100 0.096 0.000 0.788 1084 P CB 0.489 32.250 31.700 0.103 0.000 0.926 1085 A N 1.444 124.347 122.820 0.139 0.000 2.327 1085 A HA 0.627 4.929 4.320 -0.030 0.000 0.283 1085 A C 0.308 178.060 177.584 0.280 0.000 1.127 1085 A CA 0.055 52.228 52.037 0.227 0.000 0.810 1085 A CB -0.201 18.948 19.000 0.248 0.000 1.066 1085 A HN 0.634 nan 8.150 nan 0.000 0.492 1086 T N -1.660 113.094 114.554 0.334 0.000 2.883 1086 T HA 0.639 4.971 4.350 -0.030 0.000 0.301 1086 T C 0.737 175.665 174.700 0.381 0.000 1.158 1086 T CA 0.038 62.346 62.100 0.347 0.000 1.007 1086 T CB 1.280 70.282 68.868 0.224 0.000 1.186 1086 T HN 2.347 nan 8.240 nan 0.000 0.499 1087 G N 0.218 109.213 108.800 0.325 0.000 2.189 1087 G HA2 -0.223 3.720 3.960 -0.030 0.000 0.267 1087 G HA3 -0.223 3.720 3.960 -0.030 0.000 0.267 1087 G C -0.185 174.691 174.900 -0.041 0.000 0.975 1087 G CA 0.204 45.288 45.100 -0.027 0.000 0.644 1087 G HN 0.762 nan 8.290 nan 0.000 0.537 1088 F N -0.064 120.079 119.950 0.321 0.000 2.529 1088 F HA 0.714 5.223 4.527 -0.030 0.000 0.320 1088 F C 0.354 176.251 175.800 0.162 0.000 1.118 1088 F CA -1.018 57.056 58.000 0.124 0.000 0.915 1088 F CB 1.766 40.700 39.000 -0.111 0.000 1.161 1088 F HN -0.058 nan 8.300 nan 0.000 0.445 1089 I N 2.756 123.451 120.570 0.208 0.000 2.362 1089 I HA 0.161 4.313 4.170 -0.030 0.000 0.289 1089 I C -0.471 175.588 176.117 -0.097 0.000 0.994 1089 I CA -0.682 60.689 61.300 0.119 0.000 1.158 1089 I CB 1.284 39.398 38.000 0.190 0.000 1.315 1089 I HN 0.446 nan 8.210 nan 0.000 0.451 1090 D N 5.836 126.288 120.400 0.087 0.000 2.385 1090 D HA 0.041 4.663 4.640 -0.030 0.000 0.260 1090 D C 1.343 177.610 176.300 -0.055 0.000 1.326 1090 D CA 0.194 54.271 54.000 0.128 0.000 1.023 1090 D CB 1.059 42.144 40.800 0.475 0.000 1.083 1090 D HN 0.748 nan 8.370 nan 0.000 0.517 1091 G N 3.517 112.077 108.800 -0.400 0.000 2.475 1091 G HA2 -0.305 3.637 3.960 -0.030 0.000 0.220 1091 G HA3 -0.305 3.637 3.960 -0.030 0.000 0.220 1091 G C 1.270 176.171 174.900 0.001 0.000 1.125 1091 G CA 0.392 45.228 45.100 -0.439 0.000 0.755 1091 G HN 0.424 nan 8.290 nan 0.000 0.565 1092 D N 0.013 120.448 120.400 0.059 0.000 2.144 1092 D HA -0.068 4.554 4.640 -0.030 0.000 0.199 1092 D C 2.408 178.821 176.300 0.189 0.000 0.984 1092 D CA 0.228 54.318 54.000 0.150 0.000 0.834 1092 D CB -0.252 40.669 40.800 0.201 0.000 0.955 1092 D HN 0.276 nan 8.370 nan 0.000 0.465 1093 L N 0.285 121.622 121.223 0.190 0.000 1.994 1093 L HA -0.149 4.173 4.340 -0.030 0.000 0.208 1093 L C 2.320 179.278 176.870 0.148 0.000 1.071 1093 L CA 1.027 55.959 54.840 0.154 0.000 0.745 1093 L CB -0.182 41.887 42.059 0.016 0.000 0.892 1093 L HN 0.006 nan 8.230 nan 0.000 0.431 1094 I N -0.193 120.461 120.570 0.141 0.000 2.286 1094 I HA -0.312 3.840 4.170 -0.030 0.000 0.248 1094 I C 2.414 178.660 176.117 0.215 0.000 1.115 1094 I CA 1.279 62.677 61.300 0.164 0.000 1.392 1094 I CB -0.169 37.944 38.000 0.188 0.000 1.065 1094 I HN 0.307 nan 8.210 nan 0.000 0.418 1095 E N 0.157 120.490 120.200 0.220 0.000 2.150 1095 E HA -0.188 4.144 4.350 -0.030 0.000 0.193 1095 E C 2.134 178.862 176.600 0.214 0.000 0.985 1095 E CA 1.510 58.045 56.400 0.225 0.000 0.814 1095 E CB -0.091 29.742 29.700 0.222 0.000 0.752 1095 E HN 0.528 nan 8.360 nan 0.000 0.466 1096 S N 0.256 116.075 115.700 0.199 0.000 2.603 1096 S HA -0.100 4.352 4.470 -0.030 0.000 0.229 1096 S C 1.615 176.312 174.600 0.162 0.000 0.972 1096 S CA -0.020 58.276 58.200 0.160 0.000 0.935 1096 S CB -0.447 62.840 63.200 0.146 0.000 0.769 1096 S HN 0.300 nan 8.310 nan 0.000 0.536 1097 F N 2.465 122.454 119.950 0.064 0.000 2.202 1097 F HA 0.056 4.565 4.527 -0.030 0.000 0.301 1097 F C 1.602 177.422 175.800 0.034 0.000 1.082 1097 F CA 1.231 59.258 58.000 0.044 0.000 1.313 1097 F CB -0.277 38.749 39.000 0.043 0.000 1.024 1097 F HN 0.192 nan 8.300 nan 0.000 0.495 1098 L N -0.253 121.032 121.223 0.104 0.000 2.376 1098 L HA -0.120 4.202 4.340 -0.030 0.000 0.219 1098 L C 1.157 177.992 176.870 -0.058 0.000 1.133 1098 L CA 0.762 55.604 54.840 0.003 0.000 0.816 1098 L CB -0.624 41.499 42.059 0.107 0.000 0.933 1098 L HN 0.032 nan 8.230 nan 0.000 0.449 1099 D N 0.293 120.673 120.400 -0.034 0.000 2.339 1099 D HA 0.157 4.779 4.640 -0.030 0.000 0.217 1099 D C 0.853 177.114 176.300 -0.065 0.000 1.050 1099 D CA 0.209 54.196 54.000 -0.022 0.000 0.856 1099 D CB 0.228 41.038 40.800 0.018 0.000 0.922 1099 D HN 0.373 nan 8.370 nan 0.000 0.518 1100 I N -0.947 119.540 120.570 -0.139 0.000 2.713 1100 I HA 0.327 4.479 4.170 -0.030 0.000 0.300 1100 I C 0.785 176.805 176.117 -0.162 0.000 1.009 1100 I CA -0.981 60.230 61.300 -0.147 0.000 1.305 1100 I CB 1.137 39.033 38.000 -0.173 0.000 1.430 1100 I HN -0.234 nan 8.210 nan 0.000 0.546 1101 S N 3.397 119.027 115.700 -0.117 0.000 2.608 1101 S HA 0.197 4.650 4.470 -0.030 0.000 0.261 1101 S C 1.058 175.589 174.600 -0.116 0.000 1.314 1101 S CA -0.374 57.767 58.200 -0.098 0.000 0.992 1101 S CB 1.272 64.435 63.200 -0.062 0.000 0.935 1101 S HN 0.896 nan 8.310 nan 0.000 0.564 1102 R N 1.294 121.742 120.500 -0.086 0.000 2.083 1102 R HA -0.037 4.285 4.340 -0.030 0.000 0.237 1102 R C -0.717 175.551 176.300 -0.053 0.000 1.137 1102 R CA 1.609 57.666 56.100 -0.071 0.000 0.951 1102 R CB -1.526 28.753 30.300 -0.035 0.000 0.851 1102 R HN 0.646 nan 8.270 nan 0.000 0.434 1103 P HA -0.158 nan 4.420 nan 0.000 0.216 1103 P C 0.402 177.685 177.300 -0.028 0.000 1.150 1103 P CA 1.533 64.619 63.100 -0.023 0.000 0.837 1103 P CB -0.067 31.622 31.700 -0.018 0.000 0.786 1104 K N -0.780 119.592 120.400 -0.047 0.000 2.057 1104 K HA -0.063 4.239 4.320 -0.030 0.000 0.206 1104 K C 2.414 178.980 176.600 -0.058 0.000 1.050 1104 K CA 1.203 57.461 56.287 -0.048 0.000 0.935 1104 K CB -0.474 31.988 32.500 -0.064 0.000 0.715 1104 K HN 0.079 nan 8.250 nan 0.000 0.439 1105 M N 0.778 120.304 119.600 -0.123 0.000 2.108 1105 M HA -0.270 4.192 4.480 -0.030 0.000 0.261 1105 M C 2.170 178.483 176.300 0.021 0.000 1.066 1105 M CA 1.670 56.876 55.300 -0.157 0.000 1.107 1105 M CB 0.109 32.556 32.600 -0.254 0.000 1.356 1105 M HN 0.016 nan 8.290 nan 0.000 0.406 1106 Q N 0.098 119.903 119.800 0.009 0.000 2.123 1106 Q HA -0.167 4.155 4.340 -0.030 0.000 0.199 1106 Q C 1.749 177.773 176.000 0.039 0.000 0.966 1106 Q CA 1.634 57.457 55.803 0.033 0.000 0.845 1106 Q CB -0.068 28.680 28.738 0.016 0.000 0.907 1106 Q HN 0.560 nan 8.270 nan 0.000 0.439 1107 E N -1.094 119.123 120.200 0.029 0.000 2.204 1107 E HA -0.130 4.202 4.350 -0.030 0.000 0.194 1107 E C 1.497 178.128 176.600 0.052 0.000 0.989 1107 E CA 0.916 57.334 56.400 0.031 0.000 0.824 1107 E CB 0.253 29.965 29.700 0.019 0.000 0.756 1107 E HN 0.210 nan 8.360 nan 0.000 0.477 1108 V N 0.130 120.096 119.914 0.086 0.000 2.453 1108 V HA -0.182 3.920 4.120 -0.030 0.000 0.247 1108 V C 2.209 178.365 176.094 0.102 0.000 1.048 1108 V CA 0.882 63.259 62.300 0.128 0.000 1.049 1108 V CB 0.066 32.049 31.823 0.266 0.000 0.672 1108 V HN 0.148 nan 8.190 nan 0.000 0.457 1109 V N 0.033 120.008 119.914 0.102 0.000 2.220 1109 V HA -0.214 3.888 4.120 -0.030 0.000 0.242 1109 V C 2.373 178.482 176.094 0.025 0.000 1.041 1109 V CA 2.412 64.746 62.300 0.057 0.000 0.990 1109 V CB -1.262 30.597 31.823 0.060 0.000 0.634 1109 V HN 0.627 nan 8.190 nan 0.000 0.452 1110 A N -0.640 122.194 122.820 0.023 0.000 4.060 1110 A HA -0.347 3.955 4.320 -0.030 0.000 0.243 1110 A C 0.755 178.340 177.584 0.001 0.000 0.516 1110 A CA 2.518 54.562 52.037 0.012 0.000 1.110 1110 A CB -1.650 17.358 19.000 0.014 0.000 1.256 1110 A HN 0.675 nan 8.150 nan 0.000 0.644 1125 T N -1.781 112.768 114.554 -0.010 0.000 2.841 1125 T HA 0.745 5.077 4.350 -0.030 0.000 0.276 1125 T C 1.353 176.079 174.700 0.043 0.000 1.003 1125 T CA 0.252 62.362 62.100 0.017 0.000 0.995 1125 T CB 1.242 70.121 68.868 0.018 0.000 1.260 1125 T HN 2.030 nan 8.240 nan 0.000 0.581 1126 A N 0.399 123.265 122.820 0.076 0.000 1.902 1126 A HA -0.045 4.257 4.320 -0.030 0.000 0.217 1126 A C 1.916 179.574 177.584 0.124 0.000 1.181 1126 A CA 1.624 53.745 52.037 0.140 0.000 0.623 1126 A CB -1.074 17.990 19.000 0.108 0.000 0.818 1126 A HN 0.874 nan 8.150 nan 0.000 0.443 1127 D N -0.376 120.064 120.400 0.068 0.000 2.183 1127 D HA -0.117 4.505 4.640 -0.030 0.000 0.203 1127 D C 1.365 177.680 176.300 0.025 0.000 0.969 1127 D CA 1.389 55.416 54.000 0.045 0.000 0.842 1127 D CB -0.341 40.480 40.800 0.034 0.000 0.957 1127 D HN 0.411 nan 8.370 nan 0.000 0.484 1128 D N 0.230 120.638 120.400 0.013 0.000 2.178 1128 D HA -0.101 4.521 4.640 -0.030 0.000 0.202 1128 D C 1.915 178.194 176.300 -0.034 0.000 0.974 1128 D CA 0.227 54.217 54.000 -0.016 0.000 0.841 1128 D CB 0.020 40.802 40.800 -0.030 0.000 0.953 1128 D HN 0.043 nan 8.370 nan 0.000 0.478 1129 L N 0.378 121.588 121.223 -0.022 0.000 2.131 1129 L HA 0.035 4.357 4.340 -0.030 0.000 0.206 1129 L C 2.192 179.032 176.870 -0.051 0.000 1.087 1129 L CA 0.741 55.520 54.840 -0.101 0.000 0.767 1129 L CB -0.622 41.344 42.059 -0.157 0.000 0.917 1129 L HN 0.143 nan 8.230 nan 0.000 0.441 1130 I N -0.174 120.460 120.570 0.108 0.000 2.163 1130 I HA -0.337 3.815 4.170 -0.030 0.000 0.243 1130 I C 2.485 178.628 176.117 0.045 0.000 1.085 1130 I CA 1.065 62.451 61.300 0.144 0.000 1.347 1130 I CB -0.333 37.735 38.000 0.113 0.000 1.044 1130 I HN 0.177 nan 8.210 nan 0.000 0.408 1131 K N 0.553 120.958 120.400 0.008 0.000 2.113 1131 K HA -0.160 4.142 4.320 -0.030 0.000 0.208 1131 K C 2.082 178.686 176.600 0.008 0.000 1.047 1131 K CA 1.250 57.533 56.287 -0.007 0.000 0.928 1131 K CB -0.591 31.900 32.500 -0.015 0.000 0.716 1131 K HN 0.254 nan 8.250 nan 0.000 0.446 1132 V N 0.861 120.775 119.914 0.000 0.000 2.307 1132 V HA -0.195 3.907 4.120 -0.030 0.000 0.245 1132 V C 2.479 178.603 176.094 0.051 0.000 1.045 1132 V CA 1.466 63.787 62.300 0.034 0.000 1.024 1132 V CB -0.457 31.340 31.823 -0.044 0.000 0.651 1132 V HN -0.022 nan 8.190 nan 0.000 0.449 1133 V N -0.164 119.763 119.914 0.022 0.000 2.515 1133 V HA -0.213 3.889 4.120 -0.030 0.000 0.250 1133 V C 2.388 178.522 176.094 0.067 0.000 1.058 1133 V CA 1.686 64.024 62.300 0.063 0.000 1.064 1133 V CB -0.735 31.148 31.823 0.099 0.000 0.675 1133 V HN 0.610 nan 8.190 nan 0.000 0.461 1134 E N 0.044 120.266 120.200 0.037 0.000 2.077 1134 E HA -0.236 4.096 4.350 -0.030 0.000 0.193 1134 E C 2.274 178.866 176.600 -0.014 0.000 0.989 1134 E CA 1.329 57.730 56.400 0.002 0.000 0.800 1134 E CB -0.112 29.570 29.700 -0.030 0.000 0.746 1134 E HN 0.674 nan 8.360 nan 0.000 0.452 1135 E N 0.639 120.836 120.200 -0.005 0.000 2.058 1135 E HA -0.178 4.154 4.350 -0.030 0.000 0.194 1135 E C 2.224 178.799 176.600 -0.041 0.000 0.997 1135 E CA 0.778 57.164 56.400 -0.024 0.000 0.801 1135 E CB -0.064 29.634 29.700 -0.003 0.000 0.746 1135 E HN 0.243 nan 8.360 nan 0.000 0.450 1136 L N 0.707 121.921 121.223 -0.014 0.000 2.201 1136 L HA -0.142 4.181 4.340 -0.030 0.000 0.212 1136 L C 2.743 179.653 176.870 0.067 0.000 1.105 1136 L CA 1.442 56.273 54.840 -0.016 0.000 0.775 1136 L CB -0.622 41.447 42.059 0.015 0.000 0.913 1136 L HN 0.294 nan 8.230 nan 0.000 0.440 1137 T N -3.442 111.137 114.554 0.041 0.000 3.023 1137 T HA -0.109 4.223 4.350 -0.030 0.000 0.266 1137 T C 1.854 176.414 174.700 -0.234 0.000 1.093 1137 T CA 0.455 62.537 62.100 -0.031 0.000 1.129 1137 T CB -0.168 68.701 68.868 0.001 0.000 0.899 1137 T HN 0.292 nan 8.240 nan 0.000 0.491 1138 R N 0.805 121.224 120.500 -0.135 0.000 2.299 1138 R HA 0.324 4.646 4.340 -0.030 0.000 0.197 1138 R C 2.269 178.498 176.300 -0.119 0.000 0.971 1138 R CA 0.655 56.671 56.100 -0.139 0.000 1.030 1138 R CB -0.414 29.831 30.300 -0.092 0.000 0.932 1138 R HN 0.658 nan 8.270 nan 0.000 0.477 1139 I N -1.420 119.103 120.570 -0.079 0.000 3.251 1139 I HA 0.042 4.194 4.170 -0.030 0.000 0.277 1139 I C 0.484 176.641 176.117 0.067 0.000 1.268 1139 I CA 0.170 61.464 61.300 -0.010 0.000 1.449 1139 I CB -0.276 37.725 38.000 0.002 0.000 1.083 1139 I HN 0.045 nan 8.210 nan 0.000 0.464 1140 H N 0.000 119.083 119.070 0.022 0.000 2.539 1140 H HA 0.000 4.538 4.556 -0.030 0.000 0.296 1140 H CA 0.000 56.060 56.048 0.020 0.000 1.023 1140 H CB 0.000 29.780 29.762 0.030 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496