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 3i8e_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.741 176.300 -0.932 0.000 1.140 1 M CA 0.000 54.879 55.300 -0.701 0.000 0.988 1 M CB 0.000 32.375 32.600 -0.374 0.000 1.302 2 S N 1.427 116.601 115.700 -0.877 0.000 2.429 2 S HA 0.732 5.200 4.470 -0.003 0.000 0.302 2 S C -1.528 172.539 174.600 -0.887 0.000 1.115 2 S CA -0.135 57.622 58.200 -0.739 0.000 1.095 2 S CB 0.505 63.406 63.200 -0.498 0.000 0.987 2 S HN 0.399 nan 8.310 nan 0.000 0.474 3 Y N 4.349 124.418 120.300 -0.385 0.000 2.447 3 Y HA 0.523 5.071 4.550 -0.002 0.000 0.325 3 Y C 0.341 176.117 175.900 -0.207 0.000 0.976 3 Y CA -1.229 56.646 58.100 -0.375 0.000 1.280 3 Y CB 0.808 39.134 38.460 -0.224 0.000 1.104 3 Y HN 0.592 nan 8.280 nan 0.000 0.486 4 N N 1.867 120.516 118.700 -0.085 0.000 2.265 4 N HA 0.344 5.083 4.740 -0.003 0.000 0.300 4 N C -1.899 173.693 175.510 0.137 0.000 1.148 4 N CA -0.767 52.202 53.050 -0.135 0.000 0.772 4 N CB 2.891 40.965 38.487 -0.689 0.000 1.434 4 N HN 0.525 nan 8.380 nan 0.000 0.481 5 Y N 0.708 121.035 120.300 0.045 0.000 2.442 5 Y HA 0.502 5.050 4.550 -0.003 0.000 0.344 5 Y C -0.927 175.049 175.900 0.127 0.000 0.976 5 Y CA -0.732 57.437 58.100 0.115 0.000 1.040 5 Y CB 1.165 39.689 38.460 0.106 0.000 1.228 5 Y HN 0.271 nan 8.280 nan 0.000 0.451 6 V N 3.324 123.006 119.914 -0.388 0.000 2.823 6 V HA 0.935 5.053 4.120 -0.003 0.000 0.312 6 V C -1.429 174.439 176.094 -0.377 0.000 1.072 6 V CA -1.046 61.116 62.300 -0.229 0.000 0.937 6 V CB 1.389 33.117 31.823 -0.158 0.000 1.013 6 V HN 0.561 nan 8.190 nan 0.000 0.430 7 V N 1.763 121.575 119.914 -0.170 0.000 2.777 7 V HA 0.387 4.505 4.120 -0.003 0.000 0.306 7 V C 0.175 176.158 176.094 -0.185 0.000 1.112 7 V CA -0.308 61.880 62.300 -0.187 0.000 0.917 7 V CB 2.404 34.090 31.823 -0.228 0.000 1.018 7 V HN 1.022 nan 8.190 nan 0.000 0.426 8 T N 4.038 118.527 114.554 -0.108 0.000 2.775 8 T HA 0.196 4.544 4.350 -0.003 0.000 0.281 8 T C 1.163 175.752 174.700 -0.184 0.000 0.908 8 T CA 0.578 62.615 62.100 -0.106 0.000 1.123 8 T CB 0.919 69.794 68.868 0.012 0.000 0.879 8 T HN 0.910 nan 8.240 nan 0.000 0.547 9 A N 3.685 126.349 122.820 -0.260 0.000 2.206 9 A HA 0.193 4.511 4.320 -0.003 0.000 0.211 9 A C 0.968 178.563 177.584 0.017 0.000 1.158 9 A CA 0.408 52.360 52.037 -0.142 0.000 0.761 9 A CB -0.080 18.851 19.000 -0.116 0.000 0.801 9 A HN 0.701 nan 8.150 nan 0.000 0.473 10 Q N -0.525 119.258 119.800 -0.028 0.000 2.598 10 Q HA 0.290 4.628 4.340 -0.003 0.000 0.237 10 Q C -1.381 174.613 176.000 -0.011 0.000 0.914 10 Q CA -0.347 55.455 55.803 -0.001 0.000 1.065 10 Q CB 0.448 29.179 28.738 -0.011 0.000 1.586 10 Q HN 0.294 nan 8.270 nan 0.000 0.484 11 K N 4.007 124.414 120.400 0.012 0.000 2.286 11 K HA 0.325 4.644 4.320 -0.003 0.000 0.256 11 K C -2.145 174.460 176.600 0.008 0.000 0.999 11 K CA -1.325 54.972 56.287 0.016 0.000 0.908 11 K CB 0.065 32.578 32.500 0.021 0.000 0.981 11 K HN 0.512 nan 8.250 nan 0.000 0.500 12 P HA -0.032 nan 4.420 nan 0.000 0.267 12 P C -0.221 177.081 177.300 0.003 0.000 1.209 12 P CA 0.208 63.310 63.100 0.004 0.000 0.763 12 P CB 0.508 32.208 31.700 0.000 0.000 0.816 13 T N -0.394 114.161 114.554 0.002 0.000 3.086 13 T HA 0.303 4.651 4.350 -0.003 0.000 0.250 13 T C 0.938 175.643 174.700 0.008 0.000 1.074 13 T CA -0.274 61.832 62.100 0.010 0.000 0.988 13 T CB 0.094 68.970 68.868 0.013 0.000 0.988 13 T HN 0.475 nan 8.240 nan 0.000 0.530 14 A N 1.548 124.366 122.820 -0.003 0.000 2.409 14 A HA 0.581 4.899 4.320 -0.003 0.000 0.262 14 A C 0.146 177.728 177.584 -0.003 0.000 1.113 14 A CA -0.461 51.571 52.037 -0.008 0.000 0.790 14 A CB 0.283 19.273 19.000 -0.018 0.000 1.046 14 A HN 0.299 nan 8.150 nan 0.000 0.496 15 V N 4.077 123.990 119.914 -0.000 0.000 2.406 15 V HA 0.135 4.253 4.120 -0.003 0.000 0.272 15 V C 0.425 176.517 176.094 -0.004 0.000 1.043 15 V CA -0.316 61.990 62.300 0.012 0.000 0.915 15 V CB 0.902 32.745 31.823 0.033 0.000 0.988 15 V HN 0.965 nan 8.190 nan 0.000 0.466 16 N N 3.346 122.044 118.700 -0.004 0.000 2.250 16 N HA 0.246 4.984 4.740 -0.003 0.000 0.190 16 N C 0.491 175.999 175.510 -0.002 0.000 1.116 16 N CA 0.642 53.686 53.050 -0.010 0.000 0.881 16 N CB 1.571 40.045 38.487 -0.022 0.000 1.006 16 N HN 0.787 nan 8.380 nan 0.000 0.491 17 G N -0.142 108.663 108.800 0.009 0.000 2.601 17 G HA2 0.514 4.472 3.960 -0.003 0.000 0.291 17 G HA3 0.514 4.472 3.960 -0.003 0.000 0.291 17 G C -1.354 173.573 174.900 0.044 0.000 1.456 17 G CA -0.467 44.644 45.100 0.019 0.000 0.804 17 G HN 0.222 nan 8.290 nan 0.000 0.499 18 c N -1.509 117.124 118.600 0.055 0.000 3.311 18 c HA 0.930 5.498 4.570 -0.003 0.000 0.325 18 c C -1.088 173.029 174.090 0.045 0.000 1.352 18 c CA -0.947 55.423 56.329 0.068 0.000 1.308 18 c CB 1.236 43.864 42.510 0.196 0.000 1.619 18 c HN 1.735 nan 8.230 nan 0.000 0.469 19 V N 0.270 120.191 119.914 0.012 0.000 3.108 19 V HA 0.773 4.892 4.120 -0.003 0.000 0.287 19 V C -0.517 175.559 176.094 -0.030 0.000 1.436 19 V CA 0.737 63.043 62.300 0.010 0.000 1.001 19 V CB 2.263 34.097 31.823 0.018 0.000 1.141 19 V HN 1.520 nan 8.190 nan 0.000 0.443 20 T N 2.933 117.477 114.554 -0.017 0.000 2.942 20 T HA 0.986 5.335 4.350 -0.003 0.000 0.289 20 T C -0.117 174.542 174.700 -0.068 0.000 1.044 20 T CA 0.581 62.643 62.100 -0.062 0.000 1.023 20 T CB 1.472 70.302 68.868 -0.064 0.000 1.123 20 T HN 2.323 nan 8.240 nan 0.000 0.512 21 G N 1.498 110.197 108.800 -0.170 0.000 2.350 21 G HA2 0.248 4.206 3.960 -0.003 0.000 0.282 21 G HA3 0.248 4.206 3.960 -0.003 0.000 0.282 21 G C -1.956 172.726 174.900 -0.363 0.000 1.314 21 G CA -0.848 44.105 45.100 -0.245 0.000 0.915 21 G HN 0.921 nan 8.290 nan 0.000 0.499 22 H N -0.102 119.009 119.070 0.068 0.000 2.691 22 H HA 0.612 5.166 4.556 -0.003 0.000 0.281 22 H C 0.152 175.530 175.328 0.083 0.000 1.121 22 H CA -0.545 55.536 56.048 0.055 0.000 1.254 22 H CB 1.157 30.934 29.762 0.025 0.000 1.390 22 H HN 0.431 nan 8.280 nan 0.000 0.491 23 F N 1.100 121.043 119.950 -0.012 0.000 2.557 23 F HA 0.029 4.555 4.527 -0.003 0.000 0.278 23 F C 1.707 177.471 175.800 -0.060 0.000 1.051 23 F CA 0.499 58.471 58.000 -0.048 0.000 1.357 23 F CB 0.410 39.347 39.000 -0.104 0.000 1.104 23 F HN 0.382 nan 8.300 nan 0.000 0.654 24 T N 0.019 114.566 114.554 -0.012 0.000 2.590 24 T HA -0.011 4.337 4.350 -0.003 0.000 0.257 24 T C 0.708 175.427 174.700 0.031 0.000 1.080 24 T CA 1.374 63.392 62.100 -0.137 0.000 1.180 24 T CB -0.529 68.236 68.868 -0.172 0.000 0.865 24 T HN 0.085 nan 8.240 nan 0.000 0.403 25 S N -0.007 115.714 115.700 0.036 0.000 2.578 25 S HA 0.670 5.139 4.470 -0.003 0.000 0.301 25 S C 1.414 176.042 174.600 0.047 0.000 1.091 25 S CA -0.376 57.848 58.200 0.041 0.000 1.032 25 S CB 1.681 64.905 63.200 0.040 0.000 1.064 25 S HN 0.434 nan 8.310 nan 0.000 0.508 26 A N 1.226 124.053 122.820 0.011 0.000 1.927 26 A HA -0.141 4.177 4.320 -0.003 0.000 0.220 26 A C 0.506 178.065 177.584 -0.041 0.000 1.185 26 A CA 1.545 53.570 52.037 -0.020 0.000 0.639 26 A CB -0.636 18.341 19.000 -0.039 0.000 0.820 26 A HN 0.807 nan 8.150 nan 0.000 0.451 27 E N 0.318 120.519 120.200 0.001 0.000 2.114 27 E HA 0.675 5.023 4.350 -0.003 0.000 0.266 27 E C -1.268 175.398 176.600 0.110 0.000 0.896 27 E CA -0.668 55.753 56.400 0.035 0.000 0.750 27 E CB 1.161 30.864 29.700 0.005 0.000 1.121 27 E HN 0.188 nan 8.360 nan 0.000 0.413 28 D N 1.217 121.760 120.400 0.238 0.000 2.742 28 D HA 0.309 4.947 4.640 -0.003 0.000 0.262 28 D C -1.823 174.536 176.300 0.098 0.000 1.240 28 D CA -0.637 53.445 54.000 0.137 0.000 0.752 28 D CB 1.520 42.366 40.800 0.075 0.000 1.290 28 D HN 0.327 nan 8.370 nan 0.000 0.420 29 L N 1.967 123.183 121.223 -0.013 0.000 2.333 29 L HA 0.559 4.898 4.340 -0.003 0.000 0.280 29 L C -1.012 175.796 176.870 -0.103 0.000 1.004 29 L CA -0.306 54.464 54.840 -0.116 0.000 0.820 29 L CB 1.169 43.168 42.059 -0.100 0.000 1.247 29 L HN 0.224 nan 8.230 nan 0.000 0.416 30 N N 4.221 122.839 118.700 -0.136 0.000 2.269 30 N HA 0.489 5.228 4.740 -0.003 0.000 0.304 30 N C -1.607 173.828 175.510 -0.125 0.000 1.072 30 N CA -0.548 52.440 53.050 -0.103 0.000 0.802 30 N CB 2.740 41.181 38.487 -0.075 0.000 1.348 30 N HN 0.348 nan 8.380 nan 0.000 0.484 31 L N 2.144 123.298 121.223 -0.114 0.000 2.305 31 L HA 0.474 4.813 4.340 -0.003 0.000 0.284 31 L C -1.298 175.504 176.870 -0.112 0.000 1.013 31 L CA -0.536 54.205 54.840 -0.164 0.000 0.819 31 L CB 0.935 42.790 42.059 -0.340 0.000 1.227 31 L HN 0.364 nan 8.230 nan 0.000 0.417 32 L N 6.835 127.974 121.223 -0.141 0.000 2.335 32 L HA 0.461 4.799 4.340 -0.003 0.000 0.268 32 L C -0.316 176.494 176.870 -0.100 0.000 1.037 32 L CA 0.170 54.916 54.840 -0.156 0.000 0.895 32 L CB 0.672 42.585 42.059 -0.244 0.000 1.266 32 L HN 0.477 nan 8.230 nan 0.000 0.439 33 I N 2.771 123.303 120.570 -0.063 0.000 2.396 33 I HA 0.351 4.519 4.170 -0.003 0.000 0.289 33 I C 0.659 176.757 176.117 -0.032 0.000 1.056 33 I CA -0.211 61.074 61.300 -0.025 0.000 1.365 33 I CB 1.113 39.102 38.000 -0.017 0.000 1.407 33 I HN 0.586 nan 8.210 nan 0.000 0.509 34 A N 8.048 130.854 122.820 -0.024 0.000 2.252 34 A HA 0.426 4.745 4.320 -0.003 0.000 0.309 34 A C 0.575 178.146 177.584 -0.021 0.000 1.285 34 A CA -0.725 51.288 52.037 -0.039 0.000 0.900 34 A CB 0.496 19.470 19.000 -0.043 0.000 1.157 34 A HN 0.701 nan 8.150 nan 0.000 0.536 35 K N 1.585 121.968 120.400 -0.028 0.000 2.260 35 K HA 0.026 4.344 4.320 -0.003 0.000 0.191 35 K C 0.960 177.539 176.600 -0.035 0.000 1.076 35 K CA 0.695 56.969 56.287 -0.021 0.000 1.077 35 K CB -0.191 32.300 32.500 -0.015 0.000 1.423 35 K HN 0.693 nan 8.250 nan 0.000 0.462 36 N N -0.022 118.655 118.700 -0.039 0.000 2.724 36 N HA -0.062 4.676 4.740 -0.003 0.000 0.226 36 N C 1.133 176.604 175.510 -0.064 0.000 1.030 36 N CA 1.757 54.778 53.050 -0.049 0.000 1.038 36 N CB 0.069 38.531 38.487 -0.041 0.000 1.475 36 N HN 0.354 nan 8.380 nan 0.000 0.472 37 T N -2.021 112.500 114.554 -0.054 0.000 3.084 37 T HA 0.456 4.804 4.350 -0.003 0.000 0.270 37 T C 0.323 174.956 174.700 -0.112 0.000 1.008 37 T CA -0.393 61.642 62.100 -0.109 0.000 0.900 37 T CB 0.608 69.447 68.868 -0.048 0.000 1.084 37 T HN -0.122 nan 8.240 nan 0.000 0.538 38 R N 1.262 121.715 120.500 -0.078 0.000 2.474 38 R HA 0.662 5.000 4.340 -0.003 0.000 0.295 38 R C -1.165 175.080 176.300 -0.092 0.000 0.980 38 R CA -1.550 54.503 56.100 -0.078 0.000 0.934 38 R CB 1.412 31.684 30.300 -0.047 0.000 1.101 38 R HN 0.290 nan 8.270 nan 0.000 0.469 39 L N 2.022 123.180 121.223 -0.109 0.000 2.366 39 L HA 0.386 4.724 4.340 -0.003 0.000 0.266 39 L C -0.532 176.253 176.870 -0.143 0.000 1.010 39 L CA -0.295 54.470 54.840 -0.125 0.000 0.879 39 L CB 1.107 43.080 42.059 -0.145 0.000 1.228 39 L HN 0.497 nan 8.230 nan 0.000 0.439 40 E N 4.124 124.245 120.200 -0.132 0.000 2.289 40 E HA 0.419 4.767 4.350 -0.003 0.000 0.278 40 E C -0.828 175.617 176.600 -0.260 0.000 1.032 40 E CA 0.140 56.418 56.400 -0.204 0.000 0.854 40 E CB 1.150 30.795 29.700 -0.091 0.000 1.046 40 E HN 0.498 nan 8.360 nan 0.000 0.409 41 I N 4.431 124.760 120.570 -0.403 0.000 2.389 41 I HA 0.281 4.450 4.170 -0.003 0.000 0.288 41 I C -0.902 174.919 176.117 -0.493 0.000 0.999 41 I CA -0.660 60.423 61.300 -0.360 0.000 1.129 41 I CB 0.627 38.444 38.000 -0.305 0.000 1.288 41 I HN 0.509 nan 8.210 nan 0.000 0.444 42 Y N 4.728 124.895 120.300 -0.222 0.000 2.587 42 Y HA 0.664 5.213 4.550 -0.003 0.000 0.337 42 Y C -0.076 175.722 175.900 -0.170 0.000 1.065 42 Y CA -0.875 57.107 58.100 -0.196 0.000 1.126 42 Y CB 2.084 40.396 38.460 -0.246 0.000 1.279 42 Y HN 0.115 nan 8.280 nan 0.000 0.489 43 V N 2.247 122.187 119.914 0.044 0.000 2.656 43 V HA 0.423 4.542 4.120 -0.003 0.000 0.307 43 V C -0.682 175.413 176.094 0.003 0.000 1.051 43 V CA -1.070 61.226 62.300 -0.006 0.000 0.893 43 V CB 1.723 33.534 31.823 -0.019 0.000 0.999 43 V HN 0.524 nan 8.190 nan 0.000 0.426 44 V N 3.832 123.728 119.914 -0.030 0.000 2.732 44 V HA 0.691 4.809 4.120 -0.003 0.000 0.297 44 V C 0.598 176.681 176.094 -0.019 0.000 1.060 44 V CA 0.019 62.295 62.300 -0.041 0.000 1.038 44 V CB 1.396 33.172 31.823 -0.078 0.000 1.003 44 V HN 1.120 nan 8.190 nan 0.000 0.481 45 T N 0.212 114.759 114.554 -0.013 0.000 2.696 45 T HA 0.670 5.018 4.350 -0.003 0.000 0.291 45 T C 0.857 175.556 174.700 -0.002 0.000 1.095 45 T CA -0.057 62.043 62.100 -0.000 0.000 1.026 45 T CB 1.667 70.543 68.868 0.014 0.000 1.390 45 T HN 0.660 nan 8.240 nan 0.000 0.513 46 A N -0.062 122.762 122.820 0.006 0.000 1.969 46 A HA -0.012 4.306 4.320 -0.003 0.000 0.218 46 A C 2.131 179.722 177.584 0.012 0.000 1.169 46 A CA 1.629 53.671 52.037 0.008 0.000 0.635 46 A CB -0.867 18.140 19.000 0.013 0.000 0.810 46 A HN 0.891 nan 8.150 nan 0.000 0.445 47 E N -0.295 119.915 120.200 0.016 0.000 2.076 47 E HA 0.186 4.534 4.350 -0.003 0.000 0.190 47 E C 1.121 177.734 176.600 0.023 0.000 0.979 47 E CA 1.529 57.942 56.400 0.021 0.000 0.807 47 E CB 0.001 29.717 29.700 0.026 0.000 0.761 47 E HN 0.517 nan 8.360 nan 0.000 0.454 48 G N 0.068 108.881 108.800 0.023 0.000 2.601 48 G HA2 0.215 4.173 3.960 -0.003 0.000 0.080 48 G HA3 0.215 4.173 3.960 -0.003 0.000 0.080 48 G C -1.662 173.245 174.900 0.013 0.000 1.046 48 G CA -0.303 44.813 45.100 0.027 0.000 1.143 48 G HN 0.062 nan 8.290 nan 0.000 0.507 49 L N 1.248 122.488 121.223 0.028 0.000 2.322 49 L HA 0.671 5.010 4.340 -0.003 0.000 0.281 49 L C 0.524 177.470 176.870 0.127 0.000 1.014 49 L CA -0.633 54.225 54.840 0.030 0.000 0.815 49 L CB 1.711 43.687 42.059 -0.138 0.000 1.247 49 L HN 0.613 nan 8.230 nan 0.000 0.421 50 R N 4.885 125.455 120.500 0.117 0.000 2.198 50 R HA 0.448 4.786 4.340 -0.003 0.000 0.339 50 R C -2.470 173.882 176.300 0.087 0.000 1.020 50 R CA -1.467 54.692 56.100 0.098 0.000 0.864 50 R CB 0.897 31.227 30.300 0.049 0.000 1.105 50 R HN 0.312 nan 8.270 nan 0.000 0.463 51 P HA 0.000 nan 4.420 nan 0.000 0.271 51 P C -0.354 176.839 177.300 -0.179 0.000 1.216 51 P CA -0.199 62.759 63.100 -0.237 0.000 0.771 51 P CB 1.522 33.108 31.700 -0.191 0.000 0.864 52 V N 1.801 121.562 119.914 -0.254 0.000 3.305 52 V HA 0.231 4.349 4.120 -0.003 0.000 0.247 52 V C -0.083 175.948 176.094 -0.105 0.000 1.426 52 V CA 0.761 62.974 62.300 -0.145 0.000 1.162 52 V CB 0.374 32.106 31.823 -0.152 0.000 0.961 52 V HN 0.479 nan 8.190 nan 0.000 0.449 53 K N 1.107 121.404 120.400 -0.172 0.000 2.592 53 K HA 0.279 4.598 4.320 -0.003 0.000 0.265 53 K C -1.182 175.325 176.600 -0.156 0.000 1.006 53 K CA -0.100 56.134 56.287 -0.088 0.000 0.907 53 K CB 1.303 33.841 32.500 0.064 0.000 1.309 53 K HN 0.055 nan 8.250 nan 0.000 0.452 54 E N 3.314 123.434 120.200 -0.133 0.000 2.216 54 E HA 0.519 4.867 4.350 -0.003 0.000 0.279 54 E C -0.701 175.847 176.600 -0.087 0.000 0.997 54 E CA -0.580 55.741 56.400 -0.132 0.000 0.817 54 E CB 1.399 31.030 29.700 -0.113 0.000 1.096 54 E HN 0.481 nan 8.360 nan 0.000 0.393 55 V N 0.120 119.978 119.914 -0.094 0.000 3.160 55 V HA 0.910 5.028 4.120 -0.003 0.000 0.310 55 V C 0.157 176.187 176.094 -0.107 0.000 1.181 55 V CA -0.750 61.496 62.300 -0.090 0.000 1.047 55 V CB 1.525 33.296 31.823 -0.087 0.000 1.068 55 V HN 0.641 nan 8.190 nan 0.000 0.441 56 G N 0.446 109.167 108.800 -0.132 0.000 2.552 56 G HA2 0.776 4.735 3.960 -0.003 0.000 0.324 56 G HA3 0.776 4.735 3.960 -0.003 0.000 0.324 56 G C -1.007 173.731 174.900 -0.270 0.000 1.217 56 G CA -0.972 44.029 45.100 -0.164 0.000 0.989 56 G HN 0.719 nan 8.290 nan 0.000 0.490 57 M N -0.303 119.099 119.600 -0.331 0.000 2.421 57 M HA 0.216 4.694 4.480 -0.003 0.000 0.287 57 M C -1.416 174.514 176.300 -0.616 0.000 1.183 57 M CA -0.618 54.415 55.300 -0.446 0.000 0.916 57 M CB 2.821 35.220 32.600 -0.334 0.000 1.701 57 M HN 0.525 nan 8.290 nan 0.000 0.470 58 Y N 0.992 120.928 120.300 -0.607 0.000 3.007 58 Y HA 0.514 5.062 4.550 -0.003 0.000 0.390 58 Y C 0.953 175.922 175.900 -1.550 0.000 1.065 58 Y CA -0.427 56.967 58.100 -1.175 0.000 1.845 58 Y CB -0.496 37.680 38.460 -0.473 0.000 1.828 58 Y HN 0.687 nan 8.280 nan 0.000 0.458 59 G N -0.279 107.636 108.800 -1.474 0.000 2.579 59 G HA2 0.293 4.251 3.960 -0.003 0.000 0.292 59 G HA3 0.293 4.251 3.960 -0.003 0.000 0.292 59 G C -1.423 173.149 174.900 -0.547 0.000 1.484 59 G CA -1.284 43.192 45.100 -1.041 0.000 0.813 59 G HN 0.008 nan 8.290 nan 0.000 0.515 60 K N 0.987 121.314 120.400 -0.122 0.000 2.363 60 K HA 0.245 4.563 4.320 -0.003 0.000 0.289 60 K C 0.375 176.923 176.600 -0.087 0.000 1.063 60 K CA -0.090 56.175 56.287 -0.038 0.000 0.967 60 K CB 0.709 33.238 32.500 0.048 0.000 0.987 60 K HN 0.350 nan 8.250 nan 0.000 0.473 61 I N 3.118 123.625 120.570 -0.104 0.000 2.662 61 I HA -0.146 4.023 4.170 -0.003 0.000 0.285 61 I C 1.095 177.181 176.117 -0.051 0.000 1.161 61 I CA 0.436 61.684 61.300 -0.086 0.000 1.415 61 I CB 0.885 38.834 38.000 -0.085 0.000 1.385 61 I HN 0.764 nan 8.210 nan 0.000 0.552 62 A N 6.144 128.941 122.820 -0.038 0.000 2.138 62 A HA 0.420 4.738 4.320 -0.003 0.000 0.203 62 A C 0.394 177.993 177.584 0.025 0.000 1.286 62 A CA 0.200 52.228 52.037 -0.014 0.000 0.929 62 A CB 0.616 19.594 19.000 -0.036 0.000 0.975 62 A HN 0.426 nan 8.150 nan 0.000 0.480 63 V N 0.370 120.317 119.914 0.054 0.000 2.638 63 V HA 0.607 4.725 4.120 -0.003 0.000 0.306 63 V C -0.620 175.561 176.094 0.145 0.000 1.052 63 V CA -0.276 62.101 62.300 0.129 0.000 0.885 63 V CB 1.520 33.492 31.823 0.248 0.000 0.999 63 V HN 0.482 nan 8.190 nan 0.000 0.424 64 M N 4.278 123.963 119.600 0.142 0.000 2.149 64 M HA 0.595 5.074 4.480 -0.003 0.000 0.273 64 M C -1.712 174.687 176.300 0.166 0.000 0.972 64 M CA -0.169 55.212 55.300 0.135 0.000 0.984 64 M CB 1.586 34.208 32.600 0.038 0.000 1.699 64 M HN 0.670 nan 8.290 nan 0.000 0.462 65 E N 4.675 125.035 120.200 0.266 0.000 2.288 65 E HA 0.533 4.881 4.350 -0.003 0.000 0.268 65 E C -1.452 175.331 176.600 0.305 0.000 0.885 65 E CA -0.662 55.889 56.400 0.251 0.000 0.767 65 E CB 3.032 32.865 29.700 0.222 0.000 1.220 65 E HN 0.770 nan 8.360 nan 0.000 0.427 66 L N 3.151 124.515 121.223 0.236 0.000 2.295 66 L HA 0.541 4.880 4.340 -0.003 0.000 0.285 66 L C -0.493 176.554 176.870 0.295 0.000 1.035 66 L CA -0.835 54.139 54.840 0.223 0.000 0.806 66 L CB 0.370 42.512 42.059 0.139 0.000 1.214 66 L HN 0.471 nan 8.230 nan 0.000 0.426 67 F N 1.646 121.674 119.950 0.130 0.000 2.613 67 F HA 0.790 5.316 4.527 -0.003 0.000 0.310 67 F C -0.832 175.022 175.800 0.090 0.000 1.085 67 F CA -1.198 56.854 58.000 0.087 0.000 0.945 67 F CB 1.722 40.750 39.000 0.046 0.000 1.298 67 F HN 0.328 nan 8.300 nan 0.000 0.455 68 R N 3.484 124.059 120.500 0.125 0.000 2.531 68 R HA 0.565 4.904 4.340 -0.003 0.000 0.293 68 R C -3.140 173.228 176.300 0.113 0.000 1.124 68 R CA -1.449 54.664 56.100 0.022 0.000 0.945 68 R CB 1.869 32.176 30.300 0.012 0.000 1.195 68 R HN 0.637 nan 8.270 nan 0.000 0.433 69 P HA 0.262 nan 4.420 nan 0.000 0.284 69 P C -0.790 176.543 177.300 0.056 0.000 1.292 69 P CA -0.648 62.517 63.100 0.109 0.000 0.800 69 P CB 0.733 32.519 31.700 0.142 0.000 1.188 70 K N -0.788 119.639 120.400 0.045 0.000 2.285 70 K HA 0.134 4.452 4.320 -0.003 0.000 0.255 70 K C 1.158 177.772 176.600 0.025 0.000 1.000 70 K CA 0.970 57.274 56.287 0.029 0.000 0.887 70 K CB -0.845 31.670 32.500 0.025 0.000 0.997 70 K HN 0.920 nan 8.250 nan 0.000 0.510 71 G N 1.253 110.062 108.800 0.014 0.000 2.341 71 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.292 71 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.292 71 G C -0.211 174.690 174.900 0.002 0.000 1.021 71 G CA 0.554 45.659 45.100 0.008 0.000 0.905 71 G HN 0.461 nan 8.290 nan 0.000 0.508 72 E N -1.315 118.882 120.200 -0.005 0.000 2.356 72 E HA 0.510 4.859 4.350 -0.003 0.000 0.275 72 E C 0.893 177.475 176.600 -0.030 0.000 0.904 72 E CA 0.005 56.392 56.400 -0.022 0.000 0.757 72 E CB 1.506 31.190 29.700 -0.027 0.000 1.232 72 E HN 0.354 nan 8.360 nan 0.000 0.442 73 S N 1.168 116.842 115.700 -0.044 0.000 2.499 73 S HA 0.127 4.595 4.470 -0.003 0.000 0.225 73 S C 0.542 175.110 174.600 -0.053 0.000 1.050 73 S CA 0.197 58.369 58.200 -0.046 0.000 0.928 73 S CB 0.273 63.446 63.200 -0.045 0.000 0.803 73 S HN 0.440 nan 8.310 nan 0.000 0.506 74 K N 0.492 120.854 120.400 -0.064 0.000 2.536 74 K HA 0.531 4.850 4.320 -0.003 0.000 0.269 74 K C -2.200 174.353 176.600 -0.079 0.000 0.965 74 K CA -0.864 55.389 56.287 -0.055 0.000 0.860 74 K CB 0.662 33.124 32.500 -0.062 0.000 1.423 74 K HN -0.174 nan 8.250 nan 0.000 0.438 75 D N 1.389 121.777 120.400 -0.020 0.000 2.443 75 D HA 0.155 4.794 4.640 -0.003 0.000 0.239 75 D C -0.284 175.948 176.300 -0.113 0.000 1.136 75 D CA 0.262 54.237 54.000 -0.040 0.000 0.879 75 D CB 0.441 41.299 40.800 0.097 0.000 1.195 75 D HN 0.312 nan 8.370 nan 0.000 0.443 76 L N 1.422 122.466 121.223 -0.297 0.000 2.352 76 L HA 0.476 4.814 4.340 -0.003 0.000 0.269 76 L C -0.425 176.410 176.870 -0.058 0.000 1.034 76 L CA -1.235 53.450 54.840 -0.258 0.000 0.806 76 L CB 0.818 42.595 42.059 -0.469 0.000 1.244 76 L HN 0.193 nan 8.230 nan 0.000 0.447 77 L N 1.246 122.630 121.223 0.269 0.000 2.309 77 L HA 0.486 4.824 4.340 -0.003 0.000 0.282 77 L C -1.056 176.043 176.870 0.381 0.000 1.036 77 L CA 0.039 55.063 54.840 0.306 0.000 0.806 77 L CB 1.288 43.485 42.059 0.229 0.000 1.220 77 L HN 0.363 nan 8.230 nan 0.000 0.429 78 F N 5.993 126.133 119.950 0.316 0.000 2.444 78 F HA 0.657 5.182 4.527 -0.003 0.000 0.342 78 F C -0.940 174.936 175.800 0.126 0.000 1.121 78 F CA -0.639 57.528 58.000 0.279 0.000 0.997 78 F CB 0.874 40.046 39.000 0.287 0.000 1.130 78 F HN 0.244 nan 8.300 nan 0.000 0.454 79 I N 7.095 127.324 120.570 -0.568 0.000 2.545 79 I HA 0.426 4.594 4.170 -0.003 0.000 0.292 79 I C -1.541 174.180 176.117 -0.660 0.000 1.040 79 I CA -0.921 60.144 61.300 -0.393 0.000 1.068 79 I CB 1.932 39.798 38.000 -0.222 0.000 1.251 79 I HN 0.560 nan 8.210 nan 0.000 0.424 80 L N 5.353 126.397 121.223 -0.299 0.000 2.409 80 L HA 0.527 4.866 4.340 -0.003 0.000 0.272 80 L C -0.307 176.502 176.870 -0.101 0.000 0.980 80 L CA 0.074 54.809 54.840 -0.175 0.000 0.826 80 L CB 1.966 44.047 42.059 0.037 0.000 1.268 80 L HN 0.615 nan 8.230 nan 0.000 0.407 81 T N 2.900 117.393 114.554 -0.103 0.000 2.922 81 T HA 0.542 4.890 4.350 -0.003 0.000 0.285 81 T C 1.355 175.961 174.700 -0.156 0.000 1.005 81 T CA 0.188 62.225 62.100 -0.105 0.000 1.061 81 T CB 1.488 70.302 68.868 -0.090 0.000 1.007 81 T HN 0.852 nan 8.240 nan 0.000 0.502 82 A N 3.429 126.162 122.820 -0.147 0.000 2.084 82 A HA -0.055 4.263 4.320 -0.003 0.000 0.221 82 A C 1.961 179.274 177.584 -0.453 0.000 1.161 82 A CA 1.407 53.293 52.037 -0.252 0.000 0.653 82 A CB -0.379 18.599 19.000 -0.036 0.000 0.802 82 A HN 0.843 nan 8.150 nan 0.000 0.457 83 K N -2.002 118.255 120.400 -0.238 0.000 2.417 83 K HA 0.187 4.505 4.320 -0.003 0.000 0.196 83 K C -0.762 175.876 176.600 0.063 0.000 1.023 83 K CA 0.077 56.266 56.287 -0.164 0.000 1.122 83 K CB -0.060 32.439 32.500 -0.002 0.000 0.850 83 K HN 0.586 nan 8.250 nan 0.000 0.521 84 Y N -1.224 119.112 120.300 0.060 0.000 4.569 84 Y HA -0.261 4.287 4.550 -0.003 0.000 0.237 84 Y C -0.593 175.319 175.900 0.019 0.000 1.090 84 Y CA -0.213 57.907 58.100 0.034 0.000 2.052 84 Y CB -2.703 35.785 38.460 0.046 0.000 1.621 84 Y HN 0.198 nan 8.280 nan 0.000 0.682 85 N N 1.447 120.210 118.700 0.106 0.000 2.405 85 N HA 0.522 5.260 4.740 -0.003 0.000 0.260 85 N C -0.034 175.448 175.510 -0.048 0.000 1.152 85 N CA 0.418 53.486 53.050 0.029 0.000 0.948 85 N CB 0.837 39.347 38.487 0.038 0.000 1.111 85 N HN 0.410 nan 8.380 nan 0.000 0.485 86 A N 1.594 124.373 122.820 -0.067 0.000 2.325 86 A HA 0.771 5.090 4.320 -0.003 0.000 0.333 86 A C 0.033 177.516 177.584 -0.168 0.000 1.155 86 A CA -0.655 51.262 52.037 -0.199 0.000 0.814 86 A CB 0.357 19.291 19.000 -0.110 0.000 1.206 86 A HN 0.868 nan 8.150 nan 0.000 0.482 87 C N -0.135 118.989 119.300 -0.294 0.000 3.340 87 C HA 0.873 5.331 4.460 -0.003 0.000 0.333 87 C C -0.831 174.104 174.990 -0.092 0.000 1.464 87 C CA -0.867 58.087 59.018 -0.106 0.000 1.337 87 C CB 0.343 28.052 27.740 -0.052 0.000 1.740 87 C HN 0.755 nan 8.230 nan 0.000 0.450 88 I N 1.445 122.053 120.570 0.063 0.000 2.500 88 I HA 0.482 4.651 4.170 -0.003 0.000 0.286 88 I C -1.094 175.100 176.117 0.129 0.000 1.063 88 I CA -0.274 61.134 61.300 0.180 0.000 1.062 88 I CB 1.550 39.733 38.000 0.305 0.000 1.223 88 I HN 0.558 nan 8.210 nan 0.000 0.435 89 L N 6.157 127.470 121.223 0.150 0.000 2.329 89 L HA 0.601 4.940 4.340 -0.003 0.000 0.279 89 L C -0.285 176.669 176.870 0.141 0.000 1.014 89 L CA -0.481 54.447 54.840 0.148 0.000 0.814 89 L CB 1.962 44.133 42.059 0.186 0.000 1.257 89 L HN 0.545 nan 8.230 nan 0.000 0.424 90 E N 1.495 121.711 120.200 0.027 0.000 2.238 90 E HA 0.245 4.593 4.350 -0.003 0.000 0.267 90 E C -1.855 174.650 176.600 -0.158 0.000 0.887 90 E CA -0.804 55.505 56.400 -0.153 0.000 0.769 90 E CB 2.212 31.832 29.700 -0.134 0.000 1.187 90 E HN 0.489 nan 8.360 nan 0.000 0.416 91 Y N 3.929 123.899 120.300 -0.550 0.000 2.454 91 Y HA 0.279 4.827 4.550 -0.003 0.000 0.345 91 Y C -0.783 174.977 175.900 -0.233 0.000 0.970 91 Y CA -0.379 57.507 58.100 -0.357 0.000 1.204 91 Y CB 0.545 38.700 38.460 -0.510 0.000 1.122 91 Y HN 0.286 nan 8.280 nan 0.000 0.514 92 K N 6.241 126.332 120.400 -0.516 0.000 2.389 92 K HA 0.233 4.551 4.320 -0.003 0.000 0.261 92 K C -0.913 175.386 176.600 -0.502 0.000 1.014 92 K CA -0.637 55.409 56.287 -0.401 0.000 0.920 92 K CB 0.837 33.195 32.500 -0.236 0.000 1.149 92 K HN 0.746 nan 8.250 nan 0.000 0.444 93 Q N 1.666 121.207 119.800 -0.432 0.000 2.243 93 Q HA 0.214 4.552 4.340 -0.003 0.000 0.252 93 Q C -0.967 174.921 176.000 -0.186 0.000 0.909 93 Q CA -0.279 55.333 55.803 -0.318 0.000 0.922 93 Q CB 1.180 29.801 28.738 -0.194 0.000 1.215 93 Q HN 0.474 nan 8.270 nan 0.000 0.427 94 S N 3.187 118.794 115.700 -0.155 0.000 2.497 94 S HA 0.384 4.852 4.470 -0.003 0.000 0.176 94 S C 0.614 175.162 174.600 -0.087 0.000 1.445 94 S CA -0.077 58.057 58.200 -0.109 0.000 1.092 94 S CB 0.686 63.824 63.200 -0.103 0.000 1.216 94 S HN 1.053 nan 8.310 nan 0.000 0.486 95 G N 3.350 112.105 108.800 -0.076 0.000 5.266 95 G HA2 -0.397 3.561 3.960 -0.003 0.000 0.262 95 G HA3 -0.397 3.561 3.960 -0.003 0.000 0.262 95 G C 0.943 175.807 174.900 -0.060 0.000 1.359 95 G CA 0.856 45.920 45.100 -0.060 0.000 0.955 95 G HN 0.631 nan 8.290 nan 0.000 0.754 96 E N 0.353 120.513 120.200 -0.068 0.000 2.474 96 E HA 0.350 4.698 4.350 -0.003 0.000 0.215 96 E C 0.864 177.419 176.600 -0.075 0.000 0.867 96 E CA 1.045 57.403 56.400 -0.071 0.000 1.135 96 E CB 0.069 29.725 29.700 -0.072 0.000 1.147 96 E HN 0.632 nan 8.360 nan 0.000 0.534 97 S N 2.150 117.801 115.700 -0.082 0.000 2.462 97 S HA 0.563 5.031 4.470 -0.003 0.000 0.294 97 S C 0.191 174.718 174.600 -0.123 0.000 1.144 97 S CA -0.861 57.286 58.200 -0.088 0.000 1.088 97 S CB 0.336 63.487 63.200 -0.081 0.000 1.009 97 S HN 0.355 nan 8.310 nan 0.000 0.484 98 I N 1.908 122.404 120.570 -0.124 0.000 2.648 98 I HA 0.725 4.893 4.170 -0.003 0.000 0.304 98 I C -1.188 174.807 176.117 -0.203 0.000 1.009 98 I CA -0.620 60.552 61.300 -0.213 0.000 1.114 98 I CB 1.876 39.804 38.000 -0.121 0.000 1.293 98 I HN 0.445 nan 8.210 nan 0.000 0.449 99 D N 6.507 126.716 120.400 -0.318 0.000 2.970 99 D HA 0.419 5.057 4.640 -0.003 0.000 0.230 99 D C -0.489 175.707 176.300 -0.174 0.000 1.276 99 D CA -0.111 53.770 54.000 -0.198 0.000 0.910 99 D CB 2.861 43.558 40.800 -0.172 0.000 1.590 99 D HN 0.504 nan 8.370 nan 0.000 0.551 100 I N 2.947 123.498 120.570 -0.033 0.000 2.282 100 I HA 0.294 4.462 4.170 -0.003 0.000 0.290 100 I C 0.465 176.582 176.117 0.001 0.000 1.090 100 I CA -0.354 60.983 61.300 0.061 0.000 1.231 100 I CB 0.634 38.712 38.000 0.130 0.000 1.434 100 I HN 0.206 nan 8.210 nan 0.000 0.487 101 I N 5.045 125.603 120.570 -0.019 0.000 2.783 101 I HA 0.275 4.443 4.170 -0.003 0.000 0.312 101 I C 0.173 176.280 176.117 -0.017 0.000 0.988 101 I CA -0.179 61.097 61.300 -0.039 0.000 1.182 101 I CB 1.739 39.701 38.000 -0.064 0.000 1.368 101 I HN 0.410 nan 8.210 nan 0.000 0.511 102 T N 5.207 119.743 114.554 -0.031 0.000 2.929 102 T HA 0.342 4.690 4.350 -0.003 0.000 0.331 102 T C 0.982 175.688 174.700 0.011 0.000 1.120 102 T CA -0.643 61.447 62.100 -0.016 0.000 0.973 102 T CB 0.711 69.537 68.868 -0.070 0.000 1.036 102 T HN 0.461 nan 8.240 nan 0.000 0.502 103 R N 1.548 122.072 120.500 0.039 0.000 2.189 103 R HA 0.290 4.629 4.340 -0.003 0.000 0.218 103 R C 0.737 177.089 176.300 0.087 0.000 1.074 103 R CA 0.288 56.419 56.100 0.053 0.000 0.991 103 R CB -0.098 30.235 30.300 0.055 0.000 0.883 103 R HN 0.748 nan 8.270 nan 0.000 0.457 104 A N 0.473 123.363 122.820 0.117 0.000 2.590 104 A HA 0.490 4.808 4.320 -0.003 0.000 0.296 104 A C -1.053 176.645 177.584 0.191 0.000 1.050 104 A CA -0.878 51.249 52.037 0.151 0.000 0.697 104 A CB 1.128 20.202 19.000 0.122 0.000 1.277 104 A HN 0.399 nan 8.150 nan 0.000 0.411 105 H N -0.215 118.857 119.070 0.002 0.000 2.947 105 H HA 0.884 5.438 4.556 -0.003 0.000 0.290 105 H C -0.257 175.057 175.328 -0.023 0.000 1.430 105 H CA -0.798 55.235 56.048 -0.024 0.000 1.189 105 H CB 1.289 31.029 29.762 -0.037 0.000 1.875 105 H HN 2.394 nan 8.280 nan 0.000 0.568 106 G N 0.725 109.334 108.800 -0.318 0.000 2.312 106 G HA2 -0.004 3.955 3.960 -0.003 0.000 0.322 106 G HA3 -0.004 3.955 3.960 -0.003 0.000 0.322 106 G C -1.621 173.189 174.900 -0.150 0.000 1.645 106 G CA -0.540 44.344 45.100 -0.360 0.000 0.919 106 G HN 0.850 nan 8.290 nan 0.000 0.699 107 N N 0.299 118.917 118.700 -0.138 0.000 2.497 107 N HA 0.297 5.035 4.740 -0.003 0.000 0.271 107 N C 0.843 176.337 175.510 -0.026 0.000 1.142 107 N CA 0.369 53.377 53.050 -0.069 0.000 0.965 107 N CB 1.603 40.015 38.487 -0.125 0.000 1.077 107 N HN 1.130 nan 8.380 nan 0.000 0.462 108 V N 1.455 121.389 119.914 0.034 0.000 2.887 108 V HA 0.187 4.305 4.120 -0.003 0.000 0.370 108 V C 0.776 176.863 176.094 -0.010 0.000 1.322 108 V CA -0.646 61.664 62.300 0.015 0.000 1.267 108 V CB -0.602 31.234 31.823 0.022 0.000 1.344 108 V HN 0.719 nan 8.190 nan 0.000 0.573 109 Q N -0.297 119.490 119.800 -0.022 0.000 2.225 109 Q HA 0.583 4.921 4.340 -0.003 0.000 0.177 109 Q C -0.883 175.084 176.000 -0.054 0.000 1.073 109 Q CA -0.520 55.177 55.803 -0.176 0.000 1.134 109 Q CB 0.860 29.536 28.738 -0.105 0.000 1.210 109 Q HN 0.416 nan 8.270 nan 0.000 0.599 110 D N -1.635 118.710 120.400 -0.091 0.000 2.655 110 D HA 0.174 4.812 4.640 -0.003 0.000 0.229 110 D C 0.047 176.186 176.300 -0.269 0.000 1.229 110 D CA -0.606 53.274 54.000 -0.200 0.000 0.807 110 D CB 2.043 42.673 40.800 -0.284 0.000 1.514 110 D HN 0.483 nan 8.370 nan 0.000 0.444 111 R N 0.537 120.926 120.500 -0.184 0.000 2.105 111 R HA 0.002 4.340 4.340 -0.003 0.000 0.239 111 R C 0.439 176.608 176.300 -0.217 0.000 1.135 111 R CA 1.431 57.445 56.100 -0.144 0.000 0.967 111 R CB -0.109 30.137 30.300 -0.091 0.000 0.861 111 R HN 0.377 nan 8.270 nan 0.000 0.442 112 I N -0.680 119.708 120.570 -0.303 0.000 2.525 112 I HA 0.524 4.693 4.170 -0.003 0.000 0.301 112 I C -0.032 175.738 176.117 -0.578 0.000 0.992 112 I CA 0.002 61.112 61.300 -0.315 0.000 1.162 112 I CB 1.984 39.861 38.000 -0.205 0.000 1.332 112 I HN 0.266 nan 8.210 nan 0.000 0.458 113 G N 3.543 112.099 108.800 -0.406 0.000 3.101 113 G HA2 -0.006 3.952 3.960 -0.003 0.000 0.672 113 G HA3 -0.006 3.952 3.960 -0.003 0.000 0.672 113 G C -0.884 173.982 174.900 -0.057 0.000 1.331 113 G CA -1.127 43.773 45.100 -0.334 0.000 0.925 113 G HN 0.784 nan 8.290 nan 0.000 0.596 114 R N 3.449 123.994 120.500 0.074 0.000 2.389 114 R HA 0.473 4.812 4.340 -0.003 0.000 0.295 114 R C -2.215 174.220 176.300 0.226 0.000 1.075 114 R CA -1.437 54.738 56.100 0.124 0.000 1.005 114 R CB 0.570 30.902 30.300 0.055 0.000 0.987 114 R HN 0.216 nan 8.270 nan 0.000 0.452 115 P HA 0.011 nan 4.420 nan 0.000 0.268 115 P C -0.529 176.805 177.300 0.056 0.000 1.282 115 P CA 0.010 63.200 63.100 0.151 0.000 0.880 115 P CB 0.850 32.647 31.700 0.161 0.000 0.971 116 S N 1.777 117.488 115.700 0.018 0.000 2.587 116 S HA 0.059 4.528 4.470 -0.003 0.000 0.260 116 S C 0.413 174.976 174.600 -0.062 0.000 1.353 116 S CA -0.713 57.461 58.200 -0.043 0.000 0.995 116 S CB 0.198 63.351 63.200 -0.078 0.000 0.912 116 S HN 0.436 nan 8.310 nan 0.000 0.568 117 E N 0.153 120.277 120.200 -0.127 0.000 2.534 117 E HA 0.091 4.439 4.350 -0.003 0.000 0.264 117 E C 0.410 176.978 176.600 -0.053 0.000 0.981 117 E CA 1.269 57.611 56.400 -0.097 0.000 0.948 117 E CB -0.407 29.180 29.700 -0.188 0.000 0.934 117 E HN 0.827 nan 8.360 nan 0.000 0.459 118 T N 1.173 115.729 114.554 0.005 0.000 6.412 118 T HA -0.217 4.132 4.350 -0.003 0.000 0.279 118 T C 0.818 175.529 174.700 0.020 0.000 2.177 118 T CA 0.956 63.072 62.100 0.027 0.000 3.599 118 T CB -2.349 66.547 68.868 0.045 0.000 1.259 118 T HN 1.580 nan 8.240 nan 0.000 1.146 119 G N 1.254 110.059 108.800 0.007 0.000 2.601 119 G HA2 -0.230 3.729 3.960 -0.003 0.000 0.261 119 G HA3 -0.230 3.729 3.960 -0.003 0.000 0.261 119 G C -0.039 174.863 174.900 0.002 0.000 1.289 119 G CA -0.255 44.850 45.100 0.009 0.000 0.920 119 G HN 1.029 nan 8.290 nan 0.000 0.571 120 I N 0.070 120.642 120.570 0.003 0.000 2.836 120 I HA 0.354 4.522 4.170 -0.003 0.000 0.285 120 I C 0.371 176.499 176.117 0.017 0.000 1.174 120 I CA 0.393 61.695 61.300 0.003 0.000 1.405 120 I CB 0.465 38.469 38.000 0.007 0.000 1.385 120 I HN 0.370 nan 8.210 nan 0.000 0.594 121 I N 3.760 124.339 120.570 0.015 0.000 2.500 121 I HA 0.389 4.557 4.170 -0.003 0.000 0.286 121 I C 0.234 176.361 176.117 0.017 0.000 1.063 121 I CA 0.077 61.396 61.300 0.032 0.000 1.062 121 I CB 1.831 39.859 38.000 0.046 0.000 1.223 121 I HN 0.586 nan 8.210 nan 0.000 0.435 122 G N 6.993 115.812 108.800 0.031 0.000 2.371 122 G HA2 0.863 4.822 3.960 -0.003 0.000 0.326 122 G HA3 0.863 4.822 3.960 -0.003 0.000 0.326 122 G C -0.729 174.164 174.900 -0.011 0.000 1.127 122 G CA -0.492 44.599 45.100 -0.014 0.000 0.885 122 G HN 0.623 nan 8.290 nan 0.000 0.477 123 I N -1.069 119.483 120.570 -0.030 0.000 2.827 123 I HA 0.595 4.763 4.170 -0.003 0.000 0.298 123 I C -1.223 174.972 176.117 0.130 0.000 1.235 123 I CA -1.272 60.085 61.300 0.094 0.000 1.021 123 I CB 2.579 40.680 38.000 0.169 0.000 1.259 123 I HN 0.254 nan 8.210 nan 0.000 0.427 124 I N 2.614 123.241 120.570 0.095 0.000 2.418 124 I HA 0.271 4.439 4.170 -0.003 0.000 0.287 124 I C -0.679 175.281 176.117 -0.262 0.000 1.008 124 I CA -0.402 60.814 61.300 -0.140 0.000 1.104 124 I CB 1.794 39.636 38.000 -0.263 0.000 1.264 124 I HN 0.629 nan 8.210 nan 0.000 0.438 125 D N 9.166 129.051 120.400 -0.858 0.000 2.458 125 D HA 0.057 4.695 4.640 -0.003 0.000 0.243 125 D C -1.328 174.703 176.300 -0.449 0.000 1.146 125 D CA -1.281 52.093 54.000 -1.043 0.000 0.877 125 D CB 1.121 41.157 40.800 -1.275 0.000 1.176 125 D HN 0.233 nan 8.370 nan 0.000 0.461 126 P HA -0.211 nan 4.420 nan 0.000 0.218 126 P C 0.578 177.793 177.300 -0.143 0.000 1.146 126 P CA 1.299 64.240 63.100 -0.264 0.000 0.820 126 P CB 0.181 31.635 31.700 -0.411 0.000 0.778 127 E N -1.828 118.278 120.200 -0.157 0.000 2.285 127 E HA -0.035 4.314 4.350 -0.003 0.000 0.194 127 E C 0.536 177.094 176.600 -0.070 0.000 0.997 127 E CA 0.408 56.755 56.400 -0.088 0.000 0.845 127 E CB -0.354 29.296 29.700 -0.084 0.000 0.782 127 E HN 0.103 nan 8.360 nan 0.000 0.491 128 C N 0.810 120.036 119.300 -0.124 0.000 4.456 128 C HA -0.147 4.312 4.460 -0.003 0.000 0.288 128 C C 1.497 176.431 174.990 -0.093 0.000 1.374 128 C CA 0.070 59.032 59.018 -0.094 0.000 1.956 128 C CB -1.899 25.878 27.740 0.060 0.000 1.255 128 C HN 0.434 nan 8.230 nan 0.000 0.788 129 R N -0.290 120.136 120.500 -0.122 0.000 2.276 129 R HA 0.130 4.468 4.340 -0.003 0.000 0.203 129 R C 0.584 176.835 176.300 -0.081 0.000 1.017 129 R CA 1.378 57.434 56.100 -0.074 0.000 1.010 129 R CB -0.039 30.227 30.300 -0.057 0.000 0.900 129 R HN 0.874 nan 8.270 nan 0.000 0.469 130 M N -2.139 117.367 119.600 -0.158 0.000 2.605 130 M HA 0.429 4.908 4.480 -0.003 0.000 0.281 130 M C -1.438 174.712 176.300 -0.250 0.000 1.166 130 M CA -0.664 54.547 55.300 -0.148 0.000 0.875 130 M CB 1.731 34.295 32.600 -0.060 0.000 1.732 130 M HN -0.297 nan 8.290 nan 0.000 0.504 131 I N 1.314 121.739 120.570 -0.241 0.000 2.412 131 I HA 0.795 4.963 4.170 -0.003 0.000 0.296 131 I C 0.404 176.424 176.117 -0.161 0.000 0.987 131 I CA -0.666 60.454 61.300 -0.299 0.000 1.180 131 I CB 2.027 39.728 38.000 -0.498 0.000 1.340 131 I HN 0.917 nan 8.210 nan 0.000 0.455 132 G N 5.698 114.490 108.800 -0.014 0.000 2.417 132 G HA2 0.779 4.737 3.960 -0.003 0.000 0.334 132 G HA3 0.779 4.737 3.960 -0.003 0.000 0.334 132 G C -1.367 173.344 174.900 -0.315 0.000 1.150 132 G CA -0.359 44.684 45.100 -0.095 0.000 0.923 132 G HN 0.325 nan 8.290 nan 0.000 0.485 133 L N 0.510 121.304 121.223 -0.716 0.000 2.482 133 L HA 0.527 4.865 4.340 -0.003 0.000 0.263 133 L C -0.309 176.202 176.870 -0.598 0.000 0.957 133 L CA -0.709 53.845 54.840 -0.477 0.000 0.836 133 L CB 2.525 44.390 42.059 -0.323 0.000 1.324 133 L HN 0.439 nan 8.230 nan 0.000 0.406 134 R N 3.049 123.431 120.500 -0.197 0.000 2.272 134 R HA 0.372 4.711 4.340 -0.003 0.000 0.323 134 R C -0.482 175.744 176.300 -0.123 0.000 1.002 134 R CA -0.421 55.632 56.100 -0.079 0.000 0.900 134 R CB 0.823 31.162 30.300 0.065 0.000 1.151 134 R HN 0.551 nan 8.270 nan 0.000 0.507 135 L N 3.695 124.789 121.223 -0.214 0.000 2.262 135 L HA 0.247 4.586 4.340 -0.003 0.000 0.197 135 L C 0.083 176.637 176.870 -0.526 0.000 1.073 135 L CA 1.135 55.723 54.840 -0.419 0.000 0.800 135 L CB -0.719 40.905 42.059 -0.725 0.000 0.987 135 L HN 0.446 nan 8.230 nan 0.000 0.470 136 Y N -0.366 119.908 120.300 -0.045 0.000 2.376 136 Y HA 0.280 4.828 4.550 -0.003 0.000 0.340 136 Y C 0.221 176.100 175.900 -0.034 0.000 0.965 136 Y CA -1.633 56.443 58.100 -0.041 0.000 1.078 136 Y CB 0.850 39.266 38.460 -0.074 0.000 1.193 136 Y HN -0.030 nan 8.280 nan 0.000 0.452 137 D N 2.607 123.078 120.400 0.118 0.000 3.434 137 D HA -0.069 4.569 4.640 -0.003 0.000 0.215 137 D C 1.152 177.485 176.300 0.055 0.000 1.157 137 D CA 2.563 56.595 54.000 0.054 0.000 0.785 137 D CB 0.345 41.170 40.800 0.042 0.000 1.164 137 D HN 1.035 nan 8.370 nan 0.000 0.580 138 G N 2.386 111.204 108.800 0.030 0.000 2.179 138 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.260 138 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.260 138 G C 0.354 175.269 174.900 0.025 0.000 0.977 138 G CA 0.340 45.451 45.100 0.018 0.000 0.641 138 G HN 0.500 nan 8.290 nan 0.000 0.533 139 L N -1.115 120.141 121.223 0.055 0.000 2.323 139 L HA 0.852 5.190 4.340 -0.003 0.000 0.265 139 L C -0.657 176.282 176.870 0.115 0.000 1.012 139 L CA -1.283 53.592 54.840 0.060 0.000 0.820 139 L CB 1.958 44.050 42.059 0.055 0.000 1.334 139 L HN 0.033 nan 8.230 nan 0.000 0.427 140 F N 1.955 121.851 119.950 -0.090 0.000 2.553 140 F HA 0.415 4.941 4.527 -0.003 0.000 0.335 140 F C -0.208 175.497 175.800 -0.159 0.000 1.148 140 F CA -0.918 57.021 58.000 -0.102 0.000 0.963 140 F CB 1.389 40.378 39.000 -0.018 0.000 1.217 140 F HN 0.242 nan 8.300 nan 0.000 0.441 141 K N 4.989 125.014 120.400 -0.624 0.000 2.276 141 K HA 0.584 4.903 4.320 -0.003 0.000 0.285 141 K C -1.524 174.634 176.600 -0.737 0.000 1.062 141 K CA -0.266 55.696 56.287 -0.542 0.000 0.918 141 K CB 0.872 33.166 32.500 -0.343 0.000 1.055 141 K HN 0.446 nan 8.250 nan 0.000 0.477 142 V N 6.755 126.210 119.914 -0.766 0.000 2.398 142 V HA 0.387 4.505 4.120 -0.003 0.000 0.286 142 V C -0.026 175.723 176.094 -0.575 0.000 1.026 142 V CA -0.723 61.146 62.300 -0.719 0.000 0.868 142 V CB 1.248 32.480 31.823 -0.986 0.000 0.982 142 V HN 0.674 nan 8.190 nan 0.000 0.443 143 I N 7.239 127.622 120.570 -0.312 0.000 2.347 143 I HA 0.305 4.473 4.170 -0.003 0.000 0.283 143 I C -2.346 173.716 176.117 -0.091 0.000 1.058 143 I CA -1.886 59.316 61.300 -0.162 0.000 1.202 143 I CB 1.654 39.593 38.000 -0.100 0.000 1.386 143 I HN 0.427 nan 8.210 nan 0.000 0.475 144 P HA 0.073 nan 4.420 nan 0.000 0.267 144 P C -0.305 177.008 177.300 0.023 0.000 1.328 144 P CA -0.032 63.105 63.100 0.063 0.000 0.990 144 P CB 0.240 32.045 31.700 0.176 0.000 1.168 145 L N 4.016 125.226 121.223 -0.021 0.000 2.369 145 L HA 0.206 4.545 4.340 -0.003 0.000 0.279 145 L C 0.133 177.012 176.870 0.013 0.000 1.108 145 L CA 0.737 55.564 54.840 -0.021 0.000 0.852 145 L CB 0.201 42.204 42.059 -0.093 0.000 1.169 145 L HN 0.350 nan 8.230 nan 0.000 0.452 146 D N 1.247 121.668 120.400 0.035 0.000 2.895 146 D HA 0.296 4.934 4.640 -0.003 0.000 0.320 146 D C 0.391 176.721 176.300 0.050 0.000 1.249 146 D CA -0.788 53.236 54.000 0.040 0.000 0.997 146 D CB 0.930 41.750 40.800 0.033 0.000 1.430 146 D HN 0.160 nan 8.370 nan 0.000 0.558 147 R N 0.412 120.937 120.500 0.041 0.000 2.073 147 R HA -0.059 4.279 4.340 -0.003 0.000 0.234 147 R C 0.240 176.563 176.300 0.039 0.000 1.134 147 R CA 1.743 57.867 56.100 0.040 0.000 0.952 147 R CB -0.571 29.746 30.300 0.029 0.000 0.850 147 R HN 0.469 nan 8.270 nan 0.000 0.433 148 D N 0.273 120.692 120.400 0.032 0.000 1.825 148 D HA -0.111 4.528 4.640 -0.003 0.000 0.312 148 D C 0.595 176.914 176.300 0.033 0.000 1.066 148 D CA 0.158 54.175 54.000 0.028 0.000 0.826 148 D CB -0.644 40.169 40.800 0.021 0.000 1.144 148 D HN 0.012 nan 8.370 nan 0.000 0.392 149 N N -0.036 118.681 118.700 0.028 0.000 2.702 149 N HA -0.213 4.525 4.740 -0.003 0.000 0.261 149 N C -0.049 175.481 175.510 0.033 0.000 0.965 149 N CA 0.276 53.343 53.050 0.028 0.000 0.795 149 N CB -0.408 38.100 38.487 0.035 0.000 0.909 149 N HN 0.264 nan 8.380 nan 0.000 0.546 150 K N -0.005 120.413 120.400 0.029 0.000 2.426 150 K HA 0.032 4.350 4.320 -0.003 0.000 0.193 150 K C 0.548 177.155 176.600 0.011 0.000 1.028 150 K CA 0.535 56.848 56.287 0.043 0.000 1.047 150 K CB 0.275 32.807 32.500 0.053 0.000 0.821 150 K HN 0.499 nan 8.250 nan 0.000 0.513 151 E N 0.811 120.991 120.200 -0.033 0.000 2.463 151 E HA 0.066 4.414 4.350 -0.003 0.000 0.193 151 E C 0.049 176.587 176.600 -0.104 0.000 1.041 151 E CA -0.088 56.242 56.400 -0.118 0.000 0.879 151 E CB 0.038 29.681 29.700 -0.095 0.000 0.997 151 E HN 0.148 nan 8.360 nan 0.000 0.478 152 L N 1.937 123.139 121.223 -0.036 0.000 3.739 152 L HA -0.233 4.106 4.340 -0.003 0.000 0.442 152 L C -0.206 176.656 176.870 -0.014 0.000 1.241 152 L CA 0.561 55.399 54.840 -0.004 0.000 0.819 152 L CB -1.094 40.974 42.059 0.014 0.000 1.679 152 L HN 0.129 nan 8.230 nan 0.000 0.889 153 K N 0.802 121.197 120.400 -0.009 0.000 2.448 153 K HA 0.482 4.800 4.320 -0.003 0.000 0.278 153 K C 0.490 177.100 176.600 0.017 0.000 1.009 153 K CA 0.706 56.993 56.287 0.001 0.000 0.995 153 K CB 1.019 33.527 32.500 0.013 0.000 0.917 153 K HN 0.365 nan 8.250 nan 0.000 0.481 154 A N 2.929 125.754 122.820 0.007 0.000 2.350 154 A HA 0.832 5.151 4.320 -0.003 0.000 0.318 154 A C -0.872 176.750 177.584 0.064 0.000 1.132 154 A CA -0.817 51.204 52.037 -0.027 0.000 0.811 154 A CB 0.836 19.781 19.000 -0.091 0.000 1.313 154 A HN 0.626 nan 8.150 nan 0.000 0.454 155 F N -0.182 119.728 119.950 -0.066 0.000 2.599 155 F HA 0.701 5.226 4.527 -0.003 0.000 0.311 155 F C -0.735 175.011 175.800 -0.090 0.000 1.076 155 F CA -1.176 56.781 58.000 -0.072 0.000 0.937 155 F CB 1.273 40.233 39.000 -0.066 0.000 1.282 155 F HN 0.422 nan 8.300 nan 0.000 0.460 156 N N 1.603 120.350 118.700 0.077 0.000 2.485 156 N HA 0.714 5.452 4.740 -0.003 0.000 0.280 156 N C -1.339 174.210 175.510 0.066 0.000 1.205 156 N CA -0.429 52.599 53.050 -0.037 0.000 0.959 156 N CB 2.166 40.633 38.487 -0.033 0.000 1.206 156 N HN 0.705 nan 8.380 nan 0.000 0.545 157 I N 0.402 120.936 120.570 -0.060 0.000 2.656 157 I HA 0.275 4.444 4.170 -0.003 0.000 0.292 157 I C 0.223 176.262 176.117 -0.130 0.000 1.144 157 I CA -0.744 60.463 61.300 -0.156 0.000 1.038 157 I CB 2.629 40.320 38.000 -0.514 0.000 1.244 157 I HN 0.188 nan 8.210 nan 0.000 0.420 158 R N 5.428 125.870 120.500 -0.097 0.000 2.489 158 R HA 0.367 4.705 4.340 -0.003 0.000 0.287 158 R C -1.186 175.102 176.300 -0.021 0.000 1.053 158 R CA -0.178 55.897 56.100 -0.042 0.000 1.036 158 R CB 0.623 30.909 30.300 -0.024 0.000 0.966 158 R HN 0.613 nan 8.270 nan 0.000 0.432 159 L N 3.846 125.069 121.223 0.000 0.000 2.282 159 L HA 0.136 4.475 4.340 -0.003 0.000 0.288 159 L C 1.109 177.976 176.870 -0.005 0.000 1.033 159 L CA -0.184 54.646 54.840 -0.017 0.000 0.807 159 L CB 1.562 43.582 42.059 -0.064 0.000 1.209 159 L HN 0.742 nan 8.230 nan 0.000 0.423 160 E N 2.272 122.485 120.200 0.022 0.000 2.268 160 E HA -0.129 4.219 4.350 -0.003 0.000 0.195 160 E C -0.350 176.245 176.600 -0.008 0.000 0.995 160 E CA 1.070 57.489 56.400 0.030 0.000 0.836 160 E CB 0.296 30.041 29.700 0.074 0.000 0.763 160 E HN 0.503 nan 8.360 nan 0.000 0.491 161 E N -0.068 120.107 120.200 -0.043 0.000 2.073 161 E HA 0.232 4.580 4.350 -0.003 0.000 0.269 161 E C -0.677 175.935 176.600 0.019 0.000 0.917 161 E CA -0.057 56.310 56.400 -0.055 0.000 0.757 161 E CB 1.210 30.783 29.700 -0.211 0.000 1.111 161 E HN 0.164 nan 8.360 nan 0.000 0.410 162 L N 3.359 124.625 121.223 0.071 0.000 2.998 162 L HA 0.360 4.698 4.340 -0.003 0.000 0.234 162 L C 0.074 177.048 176.870 0.172 0.000 1.350 162 L CA -0.076 54.816 54.840 0.086 0.000 1.202 162 L CB -0.491 41.611 42.059 0.071 0.000 1.583 162 L HN 0.494 nan 8.230 nan 0.000 0.456 163 H N 0.068 119.198 119.070 0.101 0.000 3.361 163 H HA 0.248 4.803 4.556 -0.003 0.000 0.386 163 H C -1.666 173.773 175.328 0.184 0.000 1.599 163 H CA -0.245 55.879 56.048 0.126 0.000 1.641 163 H CB 0.962 30.801 29.762 0.129 0.000 2.241 163 H HN -0.032 nan 8.280 nan 0.000 0.639 164 V N 5.426 125.487 119.914 0.244 0.000 2.617 164 V HA 0.238 4.357 4.120 -0.003 0.000 0.298 164 V C 1.011 177.256 176.094 0.252 0.000 1.048 164 V CA -0.255 62.209 62.300 0.272 0.000 0.964 164 V CB 1.844 33.694 31.823 0.045 0.000 1.004 164 V HN 0.557 nan 8.190 nan 0.000 0.466 165 I N 1.144 121.876 120.570 0.269 0.000 3.194 165 I HA 0.313 4.481 4.170 -0.003 0.000 0.271 165 I C 0.218 176.422 176.117 0.144 0.000 1.150 165 I CA 0.892 62.311 61.300 0.198 0.000 1.440 165 I CB 0.473 38.576 38.000 0.172 0.000 1.276 165 I HN 0.602 nan 8.210 nan 0.000 0.457 166 D N -0.427 120.067 120.400 0.157 0.000 2.937 166 D HA 0.453 5.091 4.640 -0.003 0.000 0.215 166 D C -1.364 175.017 176.300 0.136 0.000 1.274 166 D CA -0.075 54.000 54.000 0.125 0.000 0.869 166 D CB 2.398 43.262 40.800 0.107 0.000 1.675 166 D HN -0.249 nan 8.370 nan 0.000 0.538 167 V N 3.151 123.120 119.914 0.091 0.000 2.628 167 V HA 0.699 4.818 4.120 -0.003 0.000 0.306 167 V C 0.158 176.263 176.094 0.019 0.000 1.045 167 V CA -0.759 61.565 62.300 0.041 0.000 0.905 167 V CB 2.037 33.838 31.823 -0.036 0.000 0.997 167 V HN 0.378 nan 8.190 nan 0.000 0.436 168 K N 1.700 122.085 120.400 -0.025 0.000 2.469 168 K HA 0.629 4.948 4.320 -0.003 0.000 0.268 168 K C -1.470 175.056 176.600 -0.124 0.000 1.027 168 K CA -0.636 55.656 56.287 0.007 0.000 0.893 168 K CB 2.581 35.147 32.500 0.108 0.000 1.460 168 K HN 0.461 nan 8.250 nan 0.000 0.449 169 F N 0.866 120.856 119.950 0.068 0.000 2.397 169 F HA 0.419 4.945 4.527 -0.003 0.000 0.331 169 F C 0.494 176.337 175.800 0.071 0.000 1.090 169 F CA -0.861 57.159 58.000 0.035 0.000 1.065 169 F CB 0.982 39.975 39.000 -0.013 0.000 1.184 169 F HN 0.065 nan 8.300 nan 0.000 0.499 170 L N 3.022 124.422 121.223 0.295 0.000 2.312 170 L HA 0.293 4.632 4.340 -0.003 0.000 0.281 170 L C -0.703 176.333 176.870 0.277 0.000 1.070 170 L CA -0.727 54.292 54.840 0.297 0.000 0.805 170 L CB 0.490 42.704 42.059 0.259 0.000 1.174 170 L HN 0.475 nan 8.230 nan 0.000 0.434 171 Y N 1.003 121.429 120.300 0.211 0.000 2.379 171 Y HA 0.283 4.832 4.550 -0.003 0.000 0.337 171 Y C 1.419 177.419 175.900 0.168 0.000 1.238 171 Y CA 1.119 59.325 58.100 0.177 0.000 1.405 171 Y CB 1.091 39.658 38.460 0.178 0.000 1.310 171 Y HN 0.801 nan 8.280 nan 0.000 0.569 172 G N 0.516 109.482 108.800 0.276 0.000 2.166 172 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.260 172 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.260 172 G C -0.137 174.862 174.900 0.166 0.000 0.986 172 G CA -0.014 45.211 45.100 0.209 0.000 0.683 172 G HN 0.696 nan 8.290 nan 0.000 0.527 173 C N 1.706 121.101 119.300 0.157 0.000 2.527 173 C HA 0.442 4.901 4.460 -0.003 0.000 0.396 173 C C 2.060 177.106 174.990 0.094 0.000 1.289 173 C CA -0.172 58.927 59.018 0.135 0.000 2.047 173 C CB 1.312 29.134 27.740 0.137 0.000 2.568 173 C HN 0.616 nan 8.230 nan 0.000 0.573 174 Q N 2.795 122.647 119.800 0.086 0.000 1.975 174 Q HA -0.092 4.247 4.340 -0.003 0.000 0.205 174 Q C 1.175 177.211 176.000 0.060 0.000 0.990 174 Q CA 1.638 57.482 55.803 0.067 0.000 0.845 174 Q CB -1.150 27.626 28.738 0.064 0.000 0.913 174 Q HN 0.842 nan 8.270 nan 0.000 0.420 175 A N 2.465 125.325 122.820 0.068 0.000 2.259 175 A HA 0.423 4.742 4.320 -0.003 0.000 0.278 175 A C -2.215 175.418 177.584 0.082 0.000 1.107 175 A CA -1.427 50.654 52.037 0.074 0.000 0.828 175 A CB -0.472 18.581 19.000 0.089 0.000 1.111 175 A HN 0.055 nan 8.150 nan 0.000 0.498 176 P HA 0.275 nan 4.420 nan 0.000 0.271 176 P C -0.771 176.688 177.300 0.265 0.000 1.226 176 P CA 0.536 63.712 63.100 0.126 0.000 0.765 176 P CB 0.713 32.476 31.700 0.106 0.000 0.835 177 T N 3.981 118.733 114.554 0.330 0.000 2.886 177 T HA 0.670 5.019 4.350 -0.003 0.000 0.292 177 T C 0.191 174.985 174.700 0.156 0.000 1.012 177 T CA -0.540 61.674 62.100 0.190 0.000 0.982 177 T CB 0.849 69.754 68.868 0.062 0.000 1.018 177 T HN 0.299 nan 8.240 nan 0.000 0.451 178 I N -1.042 119.463 120.570 -0.108 0.000 2.982 178 I HA 0.937 5.106 4.170 -0.003 0.000 0.312 178 I C -0.764 175.245 176.117 -0.181 0.000 1.041 178 I CA -0.921 60.214 61.300 -0.276 0.000 1.053 178 I CB 1.983 39.657 38.000 -0.542 0.000 1.248 178 I HN 0.749 nan 8.210 nan 0.000 0.471 179 C N 5.167 124.404 119.300 -0.105 0.000 2.551 179 C HA 0.827 5.286 4.460 -0.003 0.000 0.332 179 C C -1.015 174.019 174.990 0.074 0.000 1.139 179 C CA -0.615 58.358 59.018 -0.075 0.000 1.328 179 C CB 0.489 28.209 27.740 -0.035 0.000 1.903 179 C HN 0.803 nan 8.230 nan 0.000 0.459 180 F N 4.177 124.068 119.950 -0.098 0.000 2.591 180 F HA 0.770 5.295 4.527 -0.003 0.000 0.309 180 F C -1.004 174.812 175.800 0.028 0.000 1.098 180 F CA -1.097 56.886 58.000 -0.029 0.000 0.937 180 F CB 0.732 39.713 39.000 -0.032 0.000 1.250 180 F HN 0.306 nan 8.300 nan 0.000 0.447 181 V N 4.071 124.058 119.914 0.121 0.000 2.555 181 V HA 0.272 4.390 4.120 -0.003 0.000 0.286 181 V C -0.477 175.782 176.094 0.275 0.000 1.044 181 V CA -0.152 62.171 62.300 0.039 0.000 1.026 181 V CB 0.180 32.017 31.823 0.023 0.000 0.981 181 V HN 0.855 nan 8.190 nan 0.000 0.480 182 Y N 2.132 122.523 120.300 0.150 0.000 2.638 182 Y HA 0.786 5.334 4.550 -0.003 0.000 0.339 182 Y C -0.640 175.336 175.900 0.125 0.000 1.084 182 Y CA -1.454 56.798 58.100 0.254 0.000 1.068 182 Y CB 1.712 40.435 38.460 0.438 0.000 1.294 182 Y HN 0.510 nan 8.280 nan 0.000 0.480 183 Q N 1.486 121.482 119.800 0.326 0.000 2.365 183 Q HA 0.570 4.908 4.340 -0.003 0.000 0.269 183 Q C -1.960 174.171 176.000 0.219 0.000 1.061 183 Q CA -0.727 55.121 55.803 0.075 0.000 0.816 183 Q CB 2.067 30.677 28.738 -0.214 0.000 1.325 183 Q HN 0.906 nan 8.270 nan 0.000 0.446 184 D N 1.533 122.019 120.400 0.144 0.000 2.692 184 D HA 0.281 4.920 4.640 -0.003 0.000 0.303 184 D C -2.401 173.950 176.300 0.085 0.000 1.278 184 D CA -1.459 52.640 54.000 0.166 0.000 0.852 184 D CB 0.268 41.243 40.800 0.292 0.000 1.375 184 D HN 0.201 nan 8.370 nan 0.000 0.453 185 P HA -0.093 nan 4.420 nan 0.000 0.227 185 P C 0.661 177.986 177.300 0.041 0.000 1.145 185 P CA 1.330 64.460 63.100 0.050 0.000 0.769 185 P CB 0.241 31.974 31.700 0.055 0.000 0.769 186 Q N -1.336 118.505 119.800 0.068 0.000 2.297 186 Q HA 0.362 4.701 4.340 -0.003 0.000 0.203 186 Q C 1.172 177.139 176.000 -0.056 0.000 0.931 186 Q CA 0.907 56.739 55.803 0.049 0.000 0.885 186 Q CB 0.076 28.912 28.738 0.164 0.000 0.991 186 Q HN 0.220 nan 8.270 nan 0.000 0.498 187 G N -0.240 108.477 108.800 -0.138 0.000 2.354 187 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.582 187 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.582 187 G C -1.470 173.110 174.900 -0.534 0.000 1.316 187 G CA -1.179 43.767 45.100 -0.256 0.000 0.995 187 G HN 0.019 nan 8.290 nan 0.000 0.573 188 R N 0.161 120.379 120.500 -0.470 0.000 2.491 188 R HA 0.557 4.895 4.340 -0.003 0.000 0.283 188 R C -0.040 175.779 176.300 -0.802 0.000 1.072 188 R CA 0.153 55.929 56.100 -0.540 0.000 1.048 188 R CB 0.302 30.427 30.300 -0.292 0.000 0.983 188 R HN 0.666 nan 8.270 nan 0.000 0.450 189 H N -0.464 118.212 119.070 -0.657 0.000 2.797 189 H HA 0.446 5.000 4.556 -0.003 0.000 0.372 189 H C -1.134 173.794 175.328 -0.667 0.000 1.168 189 H CA -1.022 54.621 56.048 -0.674 0.000 1.163 189 H CB 1.977 31.264 29.762 -0.791 0.000 1.778 189 H HN 0.290 nan 8.280 nan 0.000 0.551 190 V N 1.211 120.941 119.914 -0.306 0.000 2.513 190 V HA 0.580 4.698 4.120 -0.003 0.000 0.299 190 V C -0.800 175.091 176.094 -0.338 0.000 1.035 190 V CA -0.302 61.789 62.300 -0.348 0.000 0.889 190 V CB 1.214 32.816 31.823 -0.370 0.000 0.988 190 V HN 0.793 nan 8.190 nan 0.000 0.440 191 K N 3.143 123.202 120.400 -0.569 0.000 2.512 191 K HA 0.784 5.102 4.320 -0.003 0.000 0.263 191 K C -1.127 175.055 176.600 -0.696 0.000 0.966 191 K CA -0.387 55.537 56.287 -0.604 0.000 0.851 191 K CB 2.508 34.663 32.500 -0.576 0.000 1.395 191 K HN 0.926 nan 8.250 nan 0.000 0.440 192 T N -0.979 113.191 114.554 -0.640 0.000 2.893 192 T HA 0.572 4.920 4.350 -0.003 0.000 0.293 192 T C -1.257 173.086 174.700 -0.595 0.000 1.027 192 T CA -0.674 61.080 62.100 -0.576 0.000 0.988 192 T CB 0.746 69.132 68.868 -0.803 0.000 1.043 192 T HN 0.377 nan 8.240 nan 0.000 0.461 193 Y N 0.033 120.111 120.300 -0.370 0.000 2.477 193 Y HA 0.503 5.052 4.550 -0.003 0.000 0.347 193 Y C 0.637 176.390 175.900 -0.245 0.000 0.981 193 Y CA -1.120 56.758 58.100 -0.370 0.000 1.033 193 Y CB 1.876 39.854 38.460 -0.804 0.000 1.245 193 Y HN 0.719 nan 8.280 nan 0.000 0.455 194 E N 0.993 121.230 120.200 0.061 0.000 2.391 194 E HA 0.453 4.801 4.350 -0.003 0.000 0.255 194 E C -1.149 175.621 176.600 0.283 0.000 1.187 194 E CA -0.389 56.090 56.400 0.131 0.000 0.941 194 E CB 1.024 30.794 29.700 0.116 0.000 1.010 194 E HN 0.298 nan 8.360 nan 0.000 0.458 195 V N 1.669 121.765 119.914 0.303 0.000 2.398 195 V HA 0.095 4.214 4.120 -0.003 0.000 0.282 195 V C -0.269 175.986 176.094 0.268 0.000 1.014 195 V CA -0.642 61.899 62.300 0.402 0.000 0.838 195 V CB 1.346 33.451 31.823 0.469 0.000 1.018 195 V HN 0.518 nan 8.190 nan 0.000 0.432 196 S N 5.276 121.110 115.700 0.224 0.000 3.363 196 S HA 0.265 4.733 4.470 -0.003 0.000 0.267 196 S C 1.244 175.910 174.600 0.109 0.000 1.288 196 S CA -0.672 57.611 58.200 0.137 0.000 0.948 196 S CB -0.163 63.097 63.200 0.101 0.000 1.397 196 S HN 0.711 nan 8.310 nan 0.000 0.493 197 L N 2.147 123.452 121.223 0.136 0.000 2.642 197 L HA 0.170 4.508 4.340 -0.003 0.000 0.236 197 L C 2.118 178.977 176.870 -0.017 0.000 1.169 197 L CA 0.620 55.529 54.840 0.116 0.000 0.851 197 L CB -0.313 41.854 42.059 0.180 0.000 0.968 197 L HN 0.394 nan 8.230 nan 0.000 0.453 198 R N 0.882 121.378 120.500 -0.007 0.000 2.052 198 R HA -0.025 4.314 4.340 -0.003 0.000 0.226 198 R C 2.039 178.293 176.300 -0.076 0.000 1.145 198 R CA 1.603 57.682 56.100 -0.034 0.000 0.952 198 R CB 0.008 30.305 30.300 -0.005 0.000 0.847 198 R HN 0.412 nan 8.270 nan 0.000 0.431 199 E N 0.681 120.846 120.200 -0.059 0.000 2.474 199 E HA 0.030 4.378 4.350 -0.003 0.000 0.195 199 E C -0.204 176.319 176.600 -0.129 0.000 1.039 199 E CA 0.050 56.404 56.400 -0.075 0.000 0.881 199 E CB 0.444 30.127 29.700 -0.030 0.000 0.970 199 E HN 0.271 nan 8.360 nan 0.000 0.486 200 K N 1.018 121.309 120.400 -0.180 0.000 3.016 200 K HA -0.224 4.094 4.320 -0.003 0.000 0.262 200 K C 0.002 176.535 176.600 -0.112 0.000 1.043 200 K CA 0.834 56.959 56.287 -0.271 0.000 0.761 200 K CB -1.053 31.066 32.500 -0.635 0.000 1.230 200 K HN 0.300 nan 8.250 nan 0.000 0.485 201 E N -1.338 118.829 120.200 -0.055 0.000 2.819 201 E HA 0.443 4.791 4.350 -0.003 0.000 0.241 201 E C 0.484 177.077 176.600 -0.013 0.000 0.987 201 E CA -0.853 55.515 56.400 -0.053 0.000 1.024 201 E CB 0.325 30.036 29.700 0.019 0.000 1.448 201 E HN -0.017 nan 8.360 nan 0.000 0.484 202 F N 0.018 120.019 119.950 0.086 0.000 2.532 202 F HA 0.203 4.729 4.527 -0.003 0.000 0.278 202 F C 0.218 176.118 175.800 0.166 0.000 0.975 202 F CA 0.188 58.262 58.000 0.123 0.000 1.292 202 F CB -0.149 38.907 39.000 0.094 0.000 1.112 202 F HN 0.304 nan 8.300 nan 0.000 0.703 203 N N 0.080 118.991 118.700 0.353 0.000 6.841 203 N HA -0.263 4.475 4.740 -0.003 0.000 0.420 203 N C -0.267 175.326 175.510 0.140 0.000 0.944 203 N CA 0.361 53.529 53.050 0.198 0.000 1.444 203 N CB -0.664 37.904 38.487 0.136 0.000 0.807 203 N HN 0.163 nan 8.380 nan 0.000 0.332 204 K N 0.120 120.542 120.400 0.035 0.000 2.154 204 K HA 0.547 4.866 4.320 -0.003 0.000 0.264 204 K C 0.532 177.068 176.600 -0.108 0.000 1.008 204 K CA 0.004 56.246 56.287 -0.075 0.000 0.937 204 K CB 0.394 32.859 32.500 -0.058 0.000 1.002 204 K HN 0.577 nan 8.250 nan 0.000 0.469 205 G N 2.577 111.238 108.800 -0.231 0.000 2.437 205 G HA2 0.255 4.213 3.960 -0.003 0.000 0.319 205 G HA3 0.255 4.213 3.960 -0.003 0.000 0.319 205 G C -1.868 172.901 174.900 -0.218 0.000 1.158 205 G CA -1.485 43.455 45.100 -0.268 0.000 0.899 205 G HN 0.503 nan 8.290 nan 0.000 0.502 206 P HA -0.068 nan 4.420 nan 0.000 0.218 206 P C -0.255 177.133 177.300 0.146 0.000 1.152 206 P CA 1.387 64.479 63.100 -0.013 0.000 0.857 206 P CB 0.081 31.806 31.700 0.042 0.000 0.787 207 W N -2.458 118.814 121.300 -0.046 0.000 3.032 207 W HA 0.564 5.223 4.660 -0.003 0.000 0.335 207 W C -0.841 175.630 176.519 -0.080 0.000 1.154 207 W CA -1.505 55.812 57.345 -0.046 0.000 1.204 207 W CB 0.709 30.157 29.460 -0.020 0.000 1.416 207 W HN -0.471 nan 8.180 nan 0.000 0.521 208 K N 2.124 122.628 120.400 0.172 0.000 2.440 208 K HA -0.099 4.219 4.320 -0.003 0.000 0.270 208 K C 0.505 177.123 176.600 0.030 0.000 0.980 208 K CA -0.079 56.234 56.287 0.042 0.000 0.953 208 K CB 0.502 33.031 32.500 0.049 0.000 0.925 208 K HN 0.648 nan 8.250 nan 0.000 0.497 209 Q N 2.841 122.600 119.800 -0.069 0.000 2.263 209 Q HA -0.104 4.234 4.340 -0.003 0.000 0.289 209 Q C -0.605 175.383 176.000 -0.020 0.000 1.061 209 Q CA 0.642 56.392 55.803 -0.088 0.000 0.927 209 Q CB 0.540 29.209 28.738 -0.116 0.000 1.154 209 Q HN 0.356 nan 8.270 nan 0.000 0.378 210 E N 3.198 123.388 120.200 -0.017 0.000 2.281 210 E HA 0.386 4.734 4.350 -0.003 0.000 0.257 210 E C -0.621 175.997 176.600 0.030 0.000 0.971 210 E CA -0.993 55.429 56.400 0.035 0.000 0.839 210 E CB 0.792 30.553 29.700 0.101 0.000 1.238 210 E HN 0.596 nan 8.360 nan 0.000 0.412 211 N N 0.190 118.937 118.700 0.078 0.000 2.495 211 N HA 0.420 5.158 4.740 -0.003 0.000 0.280 211 N C -0.320 175.219 175.510 0.048 0.000 1.168 211 N CA -0.195 52.884 53.050 0.048 0.000 0.978 211 N CB 1.546 40.055 38.487 0.036 0.000 1.191 211 N HN 0.253 nan 8.380 nan 0.000 0.497 212 V N -2.217 117.668 119.914 -0.047 0.000 3.181 212 V HA 0.484 4.602 4.120 -0.003 0.000 0.308 212 V C 0.015 176.075 176.094 -0.057 0.000 1.214 212 V CA -1.186 61.119 62.300 0.009 0.000 1.053 212 V CB 1.502 33.312 31.823 -0.021 0.000 1.069 212 V HN 0.750 nan 8.190 nan 0.000 0.441 213 E N 1.539 121.726 120.200 -0.021 0.000 2.428 213 E HA 0.439 4.788 4.350 -0.003 0.000 0.257 213 E C 0.926 177.481 176.600 -0.075 0.000 1.197 213 E CA 0.017 56.394 56.400 -0.038 0.000 0.974 213 E CB 1.031 30.722 29.700 -0.015 0.000 0.976 213 E HN 1.129 nan 8.360 nan 0.000 0.463 214 A N 1.354 124.134 122.820 -0.068 0.000 2.264 214 A HA -0.079 4.239 4.320 -0.003 0.000 0.207 214 A C 0.764 178.314 177.584 -0.058 0.000 1.196 214 A CA 0.526 52.517 52.037 -0.076 0.000 0.778 214 A CB -0.297 18.668 19.000 -0.059 0.000 0.779 214 A HN 0.577 nan 8.150 nan 0.000 0.483 215 E N -1.298 118.874 120.200 -0.047 0.000 2.858 215 E HA 0.246 4.595 4.350 -0.003 0.000 0.195 215 E C -0.018 176.570 176.600 -0.021 0.000 0.952 215 E CA 0.252 56.634 56.400 -0.029 0.000 1.294 215 E CB 0.290 29.978 29.700 -0.020 0.000 1.048 215 E HN 0.462 nan 8.360 nan 0.000 0.485 216 A N 1.288 124.089 122.820 -0.031 0.000 2.511 216 A HA 0.305 4.623 4.320 -0.003 0.000 0.242 216 A C 1.085 178.669 177.584 0.000 0.000 1.069 216 A CA 0.813 52.837 52.037 -0.020 0.000 0.763 216 A CB 0.234 19.213 19.000 -0.035 0.000 1.001 216 A HN 0.142 nan 8.150 nan 0.000 0.498 217 S N 0.910 116.619 115.700 0.015 0.000 2.904 217 S HA 0.411 4.879 4.470 -0.003 0.000 0.260 217 S C -0.048 174.586 174.600 0.056 0.000 1.000 217 S CA -0.310 57.914 58.200 0.040 0.000 1.274 217 S CB -0.200 63.025 63.200 0.041 0.000 1.196 217 S HN 0.630 nan 8.310 nan 0.000 0.678 218 M N 1.539 121.164 119.600 0.042 0.000 2.470 218 M HA 0.499 4.977 4.480 -0.003 0.000 0.285 218 M C -1.828 174.477 176.300 0.009 0.000 1.213 218 M CA -0.519 54.815 55.300 0.056 0.000 0.901 218 M CB 2.553 35.200 32.600 0.079 0.000 1.718 218 M HN -0.054 nan 8.290 nan 0.000 0.469 219 V N 3.730 123.655 119.914 0.018 0.000 2.409 219 V HA 0.517 4.636 4.120 -0.003 0.000 0.291 219 V C -0.400 175.633 176.094 -0.103 0.000 1.020 219 V CA -0.507 61.779 62.300 -0.024 0.000 0.848 219 V CB 1.962 33.803 31.823 0.030 0.000 0.990 219 V HN 0.689 nan 8.190 nan 0.000 0.430 220 I N 4.559 124.995 120.570 -0.223 0.000 2.307 220 I HA 0.556 4.724 4.170 -0.003 0.000 0.289 220 I C 0.771 176.833 176.117 -0.091 0.000 1.021 220 I CA -0.317 60.790 61.300 -0.321 0.000 1.224 220 I CB 1.493 39.119 38.000 -0.624 0.000 1.376 220 I HN 0.687 nan 8.210 nan 0.000 0.470 221 A N 6.777 129.640 122.820 0.071 0.000 2.371 221 A HA 0.594 4.912 4.320 -0.003 0.000 0.257 221 A C -0.226 177.482 177.584 0.206 0.000 1.089 221 A CA -0.241 51.922 52.037 0.210 0.000 0.794 221 A CB 0.591 19.804 19.000 0.355 0.000 1.029 221 A HN 0.496 nan 8.150 nan 0.000 0.488 222 V N 4.400 124.425 119.914 0.184 0.000 2.487 222 V HA 0.329 4.448 4.120 -0.003 0.000 0.298 222 V C -2.151 173.791 176.094 -0.254 0.000 1.028 222 V CA -1.596 60.734 62.300 0.050 0.000 0.860 222 V CB 1.433 33.336 31.823 0.132 0.000 0.991 222 V HN 0.813 nan 8.190 nan 0.000 0.427 223 P HA -0.096 nan 4.420 nan 0.000 0.275 223 P C 1.162 178.295 177.300 -0.279 0.000 1.239 223 P CA 0.303 62.856 63.100 -0.913 0.000 0.820 223 P CB 0.602 32.088 31.700 -0.357 0.000 0.909 224 E N 0.690 120.847 120.200 -0.072 0.000 2.049 224 E HA -0.197 4.152 4.350 -0.003 0.000 0.198 224 E C -0.536 176.143 176.600 0.133 0.000 1.007 224 E CA 2.382 58.868 56.400 0.144 0.000 0.809 224 E CB -1.885 27.916 29.700 0.169 0.000 0.749 224 E HN 0.490 nan 8.360 nan 0.000 0.450 225 P HA -0.038 nan 4.420 nan 0.000 0.222 225 P C 1.056 178.309 177.300 -0.079 0.000 1.153 225 P CA 0.974 64.088 63.100 0.022 0.000 0.798 225 P CB -0.069 31.627 31.700 -0.006 0.000 0.796 226 F N -0.495 119.466 119.950 0.019 0.000 2.315 226 F HA 0.365 4.890 4.527 -0.003 0.000 0.284 226 F C 1.788 177.646 175.800 0.097 0.000 1.049 226 F CA 1.106 59.133 58.000 0.045 0.000 1.323 226 F CB -1.041 37.984 39.000 0.042 0.000 1.113 226 F HN -0.028 nan 8.300 nan 0.000 0.544 227 G N -0.046 108.936 108.800 0.302 0.000 2.804 227 G HA2 0.294 4.253 3.960 -0.003 0.000 0.230 227 G HA3 0.294 4.253 3.960 -0.003 0.000 0.230 227 G C 0.330 175.367 174.900 0.228 0.000 1.386 227 G CA -0.286 44.962 45.100 0.247 0.000 0.875 227 G HN 1.398 nan 8.290 nan 0.000 0.557 228 G N -1.813 107.076 108.800 0.148 0.000 2.725 228 G HA2 0.486 4.445 3.960 -0.003 0.000 0.220 228 G HA3 0.486 4.445 3.960 -0.003 0.000 0.220 228 G C 0.143 175.019 174.900 -0.040 0.000 1.357 228 G CA 0.910 45.958 45.100 -0.087 0.000 0.866 228 G HN 2.845 nan 8.290 nan 0.000 0.548 229 A N -0.782 121.890 122.820 -0.246 0.000 2.371 229 A HA 0.811 5.129 4.320 -0.003 0.000 0.311 229 A C -0.241 177.201 177.584 -0.236 0.000 1.068 229 A CA -0.491 51.483 52.037 -0.105 0.000 0.744 229 A CB 1.186 20.228 19.000 0.071 0.000 1.239 229 A HN 1.213 nan 8.150 nan 0.000 0.435 230 I N 2.549 123.034 120.570 -0.141 0.000 2.330 230 I HA 0.293 4.462 4.170 -0.003 0.000 0.289 230 I C -1.038 175.006 176.117 -0.121 0.000 1.001 230 I CA -0.399 60.823 61.300 -0.130 0.000 1.193 230 I CB 1.404 39.291 38.000 -0.188 0.000 1.345 230 I HN 0.458 nan 8.210 nan 0.000 0.461 231 I N 8.013 128.543 120.570 -0.065 0.000 2.330 231 I HA 0.334 4.503 4.170 -0.003 0.000 0.289 231 I C 0.003 176.085 176.117 -0.059 0.000 1.001 231 I CA -0.006 61.269 61.300 -0.043 0.000 1.193 231 I CB 0.888 38.898 38.000 0.017 0.000 1.345 231 I HN 0.323 nan 8.210 nan 0.000 0.461 232 I N 5.436 125.968 120.570 -0.063 0.000 2.428 232 I HA 0.735 4.904 4.170 -0.003 0.000 0.296 232 I C 0.874 176.974 176.117 -0.027 0.000 0.985 232 I CA -0.067 61.201 61.300 -0.052 0.000 1.260 232 I CB 1.280 39.253 38.000 -0.045 0.000 1.389 232 I HN 0.669 nan 8.210 nan 0.000 0.484 233 G N 3.322 112.104 108.800 -0.030 0.000 3.253 233 G HA2 0.435 4.394 3.960 -0.003 0.000 0.175 233 G HA3 0.435 4.394 3.960 -0.003 0.000 0.175 233 G C -1.372 173.514 174.900 -0.023 0.000 1.098 233 G CA -0.112 44.976 45.100 -0.020 0.000 0.790 233 G HN 0.412 nan 8.290 nan 0.000 0.648 234 Q N 0.031 119.816 119.800 -0.024 0.000 2.257 234 Q HA 0.404 4.743 4.340 -0.003 0.000 0.262 234 Q C 0.861 176.840 176.000 -0.036 0.000 0.997 234 Q CA 0.500 56.286 55.803 -0.027 0.000 0.873 234 Q CB 1.396 30.122 28.738 -0.019 0.000 1.312 234 Q HN 0.897 nan 8.270 nan 0.000 0.450 235 E N -0.217 119.956 120.200 -0.045 0.000 4.537 235 E HA -0.322 4.027 4.350 -0.003 0.000 0.247 235 E C -0.859 175.704 176.600 -0.061 0.000 0.792 235 E CA 1.596 57.966 56.400 -0.050 0.000 1.356 235 E CB -1.611 28.069 29.700 -0.034 0.000 1.709 235 E HN 0.437 nan 8.360 nan 0.000 0.385 236 S N 0.298 115.963 115.700 -0.058 0.000 2.547 236 S HA 0.717 5.185 4.470 -0.003 0.000 0.281 236 S C -0.792 173.766 174.600 -0.070 0.000 1.118 236 S CA -0.729 57.436 58.200 -0.058 0.000 0.947 236 S CB 1.708 64.890 63.200 -0.031 0.000 1.053 236 S HN 0.313 nan 8.310 nan 0.000 0.482 237 I N 3.659 124.175 120.570 -0.089 0.000 2.436 237 I HA 0.445 4.613 4.170 -0.003 0.000 0.289 237 I C 0.493 176.533 176.117 -0.127 0.000 1.010 237 I CA -0.338 60.901 61.300 -0.102 0.000 1.098 237 I CB 2.395 40.326 38.000 -0.115 0.000 1.266 237 I HN 0.885 nan 8.210 nan 0.000 0.434 238 T N 2.595 117.064 114.554 -0.142 0.000 2.938 238 T HA 0.621 4.969 4.350 -0.003 0.000 0.285 238 T C -1.129 173.440 174.700 -0.218 0.000 1.028 238 T CA -0.631 61.306 62.100 -0.271 0.000 1.005 238 T CB 1.866 70.542 68.868 -0.319 0.000 1.157 238 T HN 0.423 nan 8.240 nan 0.000 0.550 239 Y N 0.353 120.320 120.300 -0.556 0.000 2.421 239 Y HA 0.511 5.059 4.550 -0.003 0.000 0.339 239 Y C -1.087 174.470 175.900 -0.571 0.000 0.996 239 Y CA -0.869 56.987 58.100 -0.406 0.000 1.046 239 Y CB 1.616 39.890 38.460 -0.310 0.000 1.226 239 Y HN 0.837 nan 8.280 nan 0.000 0.445 240 H N 5.212 123.753 119.070 -0.881 0.000 2.529 240 H HA 0.314 4.869 4.556 -0.003 0.000 0.348 240 H C -0.612 174.112 175.328 -1.008 0.000 1.079 240 H CA -0.492 55.156 56.048 -0.668 0.000 1.198 240 H CB 2.106 31.702 29.762 -0.276 0.000 1.521 240 H HN 0.692 nan 8.280 nan 0.000 0.514 241 N N 1.240 119.484 118.700 -0.760 0.000 2.184 241 N HA 0.067 4.806 4.740 -0.003 0.000 0.234 241 N C 1.318 176.078 175.510 -1.251 0.000 1.282 241 N CA 0.733 53.167 53.050 -1.026 0.000 0.877 241 N CB 0.946 39.176 38.487 -0.427 0.000 1.184 241 N HN 1.046 nan 8.380 nan 0.000 0.510 242 G N 0.887 109.087 108.800 -1.000 0.000 2.507 242 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.240 242 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.240 242 G C 0.747 175.560 174.900 -0.144 0.000 1.119 242 G CA 0.900 45.664 45.100 -0.561 0.000 0.664 242 G HN 0.464 nan 8.290 nan 0.000 0.516 243 D N 0.051 120.343 120.400 -0.179 0.000 2.389 243 D HA 0.370 5.008 4.640 -0.003 0.000 0.206 243 D C 0.935 177.209 176.300 -0.042 0.000 1.055 243 D CA 0.700 54.664 54.000 -0.061 0.000 0.856 243 D CB 0.453 41.228 40.800 -0.041 0.000 0.957 243 D HN 0.377 nan 8.370 nan 0.000 0.509 244 K N -0.017 120.340 120.400 -0.072 0.000 2.259 244 K HA 0.463 4.782 4.320 -0.003 0.000 0.249 244 K C -1.841 174.782 176.600 0.038 0.000 0.942 244 K CA -0.931 55.361 56.287 0.009 0.000 0.816 244 K CB 1.199 33.736 32.500 0.062 0.000 1.155 244 K HN -0.109 nan 8.250 nan 0.000 0.428 245 Y N 3.997 124.251 120.300 -0.077 0.000 2.294 245 Y HA 0.384 4.932 4.550 -0.003 0.000 0.329 245 Y C -1.959 173.893 175.900 -0.080 0.000 1.135 245 Y CA -0.667 57.340 58.100 -0.155 0.000 1.213 245 Y CB 0.813 39.167 38.460 -0.177 0.000 1.141 245 Y HN 0.422 nan 8.280 nan 0.000 0.446 246 L N 5.454 126.534 121.223 -0.239 0.000 2.329 246 L HA 0.975 5.313 4.340 -0.003 0.000 0.279 246 L C -0.459 176.209 176.870 -0.337 0.000 1.014 246 L CA -0.945 53.782 54.840 -0.189 0.000 0.814 246 L CB 1.835 43.798 42.059 -0.161 0.000 1.257 246 L HN 0.718 nan 8.230 nan 0.000 0.424 247 A N 4.359 127.058 122.820 -0.202 0.000 2.475 247 A HA 0.936 5.254 4.320 -0.003 0.000 0.301 247 A C -1.049 176.479 177.584 -0.092 0.000 1.059 247 A CA -0.488 51.442 52.037 -0.179 0.000 0.710 247 A CB 1.763 20.712 19.000 -0.085 0.000 1.288 247 A HN 0.670 nan 8.150 nan 0.000 0.408 248 I N -1.267 119.247 120.570 -0.093 0.000 2.607 248 I HA 0.727 4.895 4.170 -0.003 0.000 0.290 248 I C -0.061 176.013 176.117 -0.072 0.000 1.129 248 I CA -0.855 60.400 61.300 -0.075 0.000 1.042 248 I CB 2.409 40.357 38.000 -0.087 0.000 1.242 248 I HN 0.631 nan 8.210 nan 0.000 0.421 249 A N 5.774 128.559 122.820 -0.057 0.000 3.150 249 A HA 0.689 5.007 4.320 -0.003 0.000 0.328 249 A C -2.554 174.993 177.584 -0.063 0.000 1.104 249 A CA -1.251 50.753 52.037 -0.056 0.000 0.937 249 A CB -0.547 18.432 19.000 -0.035 0.000 1.073 249 A HN 0.545 nan 8.150 nan 0.000 0.497 250 P HA 0.338 nan 4.420 nan 0.000 0.286 250 P C -2.346 174.901 177.300 -0.088 0.000 1.269 250 P CA -1.542 61.507 63.100 -0.085 0.000 0.787 250 P CB 1.252 32.887 31.700 -0.109 0.000 0.920 251 P HA -0.179 nan 4.420 nan 0.000 0.217 251 P C 1.575 178.842 177.300 -0.054 0.000 1.148 251 P CA 0.883 63.955 63.100 -0.046 0.000 0.834 251 P CB -0.085 31.599 31.700 -0.026 0.000 0.783 252 I N -0.077 120.452 120.570 -0.070 0.000 2.163 252 I HA -0.259 3.909 4.170 -0.003 0.000 0.243 252 I C 2.034 178.071 176.117 -0.133 0.000 1.085 252 I CA 1.557 62.820 61.300 -0.062 0.000 1.347 252 I CB -0.333 37.643 38.000 -0.040 0.000 1.044 252 I HN -0.138 nan 8.210 nan 0.000 0.408 253 I N -1.093 119.301 120.570 -0.293 0.000 2.493 253 I HA -0.227 3.942 4.170 -0.003 0.000 0.254 253 I C 2.378 178.419 176.117 -0.127 0.000 1.160 253 I CA 1.413 62.502 61.300 -0.352 0.000 1.445 253 I CB -0.700 37.050 38.000 -0.418 0.000 1.086 253 I HN 0.159 nan 8.210 nan 0.000 0.433 254 K N 1.429 121.776 120.400 -0.088 0.000 2.001 254 K HA -0.298 4.021 4.320 -0.003 0.000 0.214 254 K C 2.176 178.767 176.600 -0.015 0.000 1.050 254 K CA 2.555 58.815 56.287 -0.045 0.000 0.934 254 K CB -0.337 32.141 32.500 -0.036 0.000 0.718 254 K HN 0.544 nan 8.250 nan 0.000 0.443 255 Q N -0.243 119.558 119.800 0.002 0.000 2.290 255 Q HA -0.166 4.173 4.340 -0.003 0.000 0.211 255 Q C 0.907 176.918 176.000 0.018 0.000 0.991 255 Q CA 1.209 57.023 55.803 0.017 0.000 0.893 255 Q CB -0.094 28.666 28.738 0.036 0.000 0.913 255 Q HN 0.200 nan 8.270 nan 0.000 0.428 256 S N -1.840 113.878 115.700 0.030 0.000 2.688 256 S HA 0.331 4.800 4.470 -0.003 0.000 0.275 256 S C -1.266 173.351 174.600 0.030 0.000 1.175 256 S CA -0.911 57.303 58.200 0.023 0.000 0.818 256 S CB 1.969 65.183 63.200 0.023 0.000 1.157 256 S HN -0.018 nan 8.310 nan 0.000 0.482 257 T N 2.375 116.942 114.554 0.021 0.000 2.767 257 T HA 0.470 4.818 4.350 -0.003 0.000 0.288 257 T C -0.256 174.475 174.700 0.052 0.000 0.963 257 T CA -0.169 61.945 62.100 0.024 0.000 1.019 257 T CB 0.305 69.180 68.868 0.012 0.000 0.923 257 T HN 0.423 nan 8.240 nan 0.000 0.468 258 I N 3.995 124.601 120.570 0.061 0.000 2.578 258 I HA 0.004 4.173 4.170 -0.003 0.000 0.286 258 I C 1.257 177.418 176.117 0.075 0.000 1.126 258 I CA 0.517 61.872 61.300 0.092 0.000 1.380 258 I CB 0.714 38.765 38.000 0.085 0.000 1.408 258 I HN 0.471 nan 8.210 nan 0.000 0.532 259 V N 7.294 127.250 119.914 0.069 0.000 2.825 259 V HA 0.066 4.185 4.120 -0.003 0.000 0.246 259 V C 0.360 176.485 176.094 0.052 0.000 1.068 259 V CA 0.951 63.281 62.300 0.050 0.000 1.088 259 V CB 0.588 32.427 31.823 0.027 0.000 0.733 259 V HN 0.908 nan 8.190 nan 0.000 0.468 260 C N 0.562 119.895 119.300 0.055 0.000 2.686 260 C HA 0.818 5.276 4.460 -0.003 0.000 0.318 260 C C -0.275 174.757 174.990 0.070 0.000 1.160 260 C CA -0.520 58.507 59.018 0.016 0.000 1.396 260 C CB 0.493 28.216 27.740 -0.028 0.000 1.924 260 C HN 0.751 nan 8.230 nan 0.000 0.471 261 H N 1.387 120.500 119.070 0.072 0.000 2.858 261 H HA 0.917 5.471 4.556 -0.003 0.000 0.318 261 H C -0.589 174.823 175.328 0.141 0.000 1.419 261 H CA -0.633 55.474 56.048 0.099 0.000 1.373 261 H CB 1.069 30.870 29.762 0.065 0.000 1.915 261 H HN 0.929 nan 8.280 nan 0.000 0.704 262 N N -1.083 117.873 118.700 0.427 0.000 4.711 262 N HA 0.085 4.823 4.740 -0.003 0.000 0.175 262 N C -1.814 173.900 175.510 0.340 0.000 1.031 262 N CA -0.685 52.578 53.050 0.356 0.000 1.143 262 N CB 1.277 39.860 38.487 0.161 0.000 1.585 262 N HN 0.874 nan 8.380 nan 0.000 0.817 263 R N 2.332 122.955 120.500 0.205 0.000 2.490 263 R HA 0.486 4.825 4.340 -0.003 0.000 0.280 263 R C -0.254 175.951 176.300 -0.158 0.000 1.077 263 R CA -0.283 55.631 56.100 -0.310 0.000 1.065 263 R CB 0.698 30.775 30.300 -0.372 0.000 1.003 263 R HN 0.388 nan 8.270 nan 0.000 0.470 264 V N 2.162 121.898 119.914 -0.297 0.000 2.627 264 V HA 0.076 4.194 4.120 -0.003 0.000 0.239 264 V C -0.158 175.851 176.094 -0.143 0.000 1.077 264 V CA 0.922 63.076 62.300 -0.242 0.000 1.103 264 V CB -0.028 31.508 31.823 -0.478 0.000 0.802 264 V HN 0.797 nan 8.190 nan 0.000 0.482 265 D N 1.489 121.759 120.400 -0.216 0.000 2.193 265 D HA 0.305 4.943 4.640 -0.003 0.000 0.244 265 D C -1.788 174.437 176.300 -0.124 0.000 1.064 265 D CA -1.699 52.228 54.000 -0.122 0.000 0.845 265 D CB 1.527 42.252 40.800 -0.125 0.000 1.148 265 D HN 0.085 nan 8.370 nan 0.000 0.464 266 P HA -0.169 nan 4.420 nan 0.000 0.221 266 P C 0.531 177.812 177.300 -0.032 0.000 1.145 266 P CA 0.948 64.041 63.100 -0.011 0.000 0.795 266 P CB 0.146 31.874 31.700 0.046 0.000 0.775 267 N N -0.287 118.398 118.700 -0.025 0.000 2.434 267 N HA 0.010 4.749 4.740 -0.003 0.000 0.196 267 N C 1.272 176.733 175.510 -0.082 0.000 1.183 267 N CA 0.700 53.765 53.050 0.025 0.000 0.849 267 N CB -1.408 37.143 38.487 0.107 0.000 0.992 267 N HN 0.163 nan 8.380 nan 0.000 0.460 268 G N 0.239 108.910 108.800 -0.215 0.000 2.203 268 G HA2 -0.383 3.575 3.960 -0.003 0.000 0.263 268 G HA3 -0.383 3.575 3.960 -0.003 0.000 0.263 268 G C 1.013 175.643 174.900 -0.451 0.000 1.012 268 G CA 0.973 45.866 45.100 -0.346 0.000 0.749 268 G HN 0.712 nan 8.290 nan 0.000 0.512 269 S N -1.145 114.318 115.700 -0.396 0.000 2.387 269 S HA 0.168 4.637 4.470 -0.003 0.000 0.226 269 S C 1.113 175.565 174.600 -0.247 0.000 1.026 269 S CA 1.073 59.066 58.200 -0.344 0.000 0.972 269 S CB 0.310 63.408 63.200 -0.170 0.000 0.814 269 S HN 0.634 nan 8.310 nan 0.000 0.477 270 R N -0.257 120.061 120.500 -0.303 0.000 2.574 270 R HA 0.603 4.941 4.340 -0.003 0.000 0.288 270 R C -1.904 174.189 176.300 -0.345 0.000 1.004 270 R CA -0.546 55.421 56.100 -0.223 0.000 0.895 270 R CB 1.609 31.785 30.300 -0.207 0.000 1.191 270 R HN 0.277 nan 8.270 nan 0.000 0.444 271 Y N 1.266 121.513 120.300 -0.089 0.000 2.598 271 Y HA 0.521 5.069 4.550 -0.003 0.000 0.340 271 Y C -0.012 175.882 175.900 -0.010 0.000 1.038 271 Y CA -0.896 57.185 58.100 -0.032 0.000 1.100 271 Y CB 1.740 40.195 38.460 -0.009 0.000 1.281 271 Y HN 0.228 nan 8.280 nan 0.000 0.488 272 L N 2.583 123.931 121.223 0.208 0.000 2.331 272 L HA 0.629 4.968 4.340 -0.003 0.000 0.275 272 L C -1.183 175.799 176.870 0.187 0.000 1.022 272 L CA -0.760 54.167 54.840 0.144 0.000 0.812 272 L CB 1.580 43.698 42.059 0.098 0.000 1.257 272 L HN 0.397 nan 8.230 nan 0.000 0.435 273 L N 1.654 122.980 121.223 0.173 0.000 2.409 273 L HA 0.591 4.930 4.340 -0.003 0.000 0.272 273 L C 0.087 177.049 176.870 0.153 0.000 0.980 273 L CA -0.571 54.392 54.840 0.205 0.000 0.826 273 L CB 2.011 44.238 42.059 0.280 0.000 1.268 273 L HN 0.622 nan 8.230 nan 0.000 0.407 274 G N 0.441 109.309 108.800 0.113 0.000 2.367 274 G HA2 0.477 4.435 3.960 -0.003 0.000 0.314 274 G HA3 0.477 4.435 3.960 -0.003 0.000 0.314 274 G C -1.421 173.529 174.900 0.084 0.000 1.130 274 G CA -0.086 45.044 45.100 0.050 0.000 0.864 274 G HN 0.487 nan 8.290 nan 0.000 0.486 275 D N 1.335 121.757 120.400 0.036 0.000 2.340 275 D HA 0.203 4.841 4.640 -0.003 0.000 0.240 275 D C 1.348 177.648 176.300 -0.001 0.000 1.001 275 D CA -0.814 53.224 54.000 0.063 0.000 0.888 275 D CB 1.814 42.668 40.800 0.090 0.000 1.310 275 D HN 0.182 nan 8.370 nan 0.000 0.474 276 M N 1.698 121.290 119.600 -0.013 0.000 2.435 276 M HA -0.121 4.358 4.480 -0.003 0.000 0.262 276 M C 0.433 176.667 176.300 -0.111 0.000 1.065 276 M CA 1.642 56.898 55.300 -0.074 0.000 1.076 276 M CB 0.092 32.629 32.600 -0.104 0.000 1.403 276 M HN 0.397 nan 8.290 nan 0.000 0.454 277 E N -0.828 119.330 120.200 -0.071 0.000 2.318 277 E HA 0.101 4.450 4.350 -0.003 0.000 0.193 277 E C 1.587 178.153 176.600 -0.058 0.000 0.998 277 E CA 0.969 57.327 56.400 -0.071 0.000 0.859 277 E CB 0.331 30.009 29.700 -0.036 0.000 0.812 277 E HN 0.734 nan 8.360 nan 0.000 0.492 278 G N 1.604 110.366 108.800 -0.064 0.000 2.436 278 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.204 278 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.204 278 G C 0.331 175.157 174.900 -0.124 0.000 1.026 278 G CA -0.301 44.757 45.100 -0.070 0.000 0.658 278 G HN 0.134 nan 8.290 nan 0.000 0.499 279 R N 0.267 120.659 120.500 -0.180 0.000 2.638 279 R HA 0.326 4.664 4.340 -0.003 0.000 0.268 279 R C -0.407 175.579 176.300 -0.524 0.000 1.006 279 R CA 0.301 56.178 56.100 -0.373 0.000 1.088 279 R CB 0.602 30.615 30.300 -0.479 0.000 0.950 279 R HN 0.383 nan 8.270 nan 0.000 0.419 280 L N 4.357 125.257 121.223 -0.539 0.000 2.319 280 L HA 0.424 4.762 4.340 -0.003 0.000 0.281 280 L C -1.329 175.291 176.870 -0.416 0.000 1.005 280 L CA -0.174 54.440 54.840 -0.378 0.000 0.828 280 L CB 0.803 42.766 42.059 -0.160 0.000 1.227 280 L HN 0.410 nan 8.230 nan 0.000 0.415 281 F N 4.541 124.498 119.950 0.012 0.000 2.440 281 F HA 0.624 5.149 4.527 -0.003 0.000 0.328 281 F C 0.190 175.986 175.800 -0.007 0.000 1.070 281 F CA -0.840 57.160 58.000 0.000 0.000 1.011 281 F CB 1.709 40.708 39.000 -0.001 0.000 1.226 281 F HN 0.401 nan 8.300 nan 0.000 0.491 282 M N 3.786 123.502 119.600 0.192 0.000 2.043 282 M HA 0.339 4.817 4.480 -0.003 0.000 0.322 282 M C -1.696 174.637 176.300 0.056 0.000 0.962 282 M CA -0.514 54.829 55.300 0.071 0.000 0.927 282 M CB 0.712 33.300 32.600 -0.020 0.000 1.466 282 M HN 0.422 nan 8.290 nan 0.000 0.412 283 L N 6.684 127.953 121.223 0.077 0.000 2.283 283 L HA 0.444 4.782 4.340 -0.003 0.000 0.287 283 L C -1.763 175.132 176.870 0.042 0.000 1.073 283 L CA -0.037 54.831 54.840 0.047 0.000 0.822 283 L CB 0.054 42.145 42.059 0.054 0.000 1.186 283 L HN 0.786 nan 8.230 nan 0.000 0.436 284 L N 5.991 127.203 121.223 -0.018 0.000 2.341 284 L HA 0.528 4.866 4.340 -0.003 0.000 0.278 284 L C -0.463 176.364 176.870 -0.072 0.000 1.005 284 L CA -0.325 54.488 54.840 -0.046 0.000 0.818 284 L CB 2.115 44.139 42.059 -0.059 0.000 1.259 284 L HN 0.490 nan 8.230 nan 0.000 0.418 285 L N 2.629 123.791 121.223 -0.100 0.000 2.334 285 L HA 0.565 4.903 4.340 -0.003 0.000 0.273 285 L C -0.304 176.524 176.870 -0.070 0.000 1.013 285 L CA -0.542 54.220 54.840 -0.130 0.000 0.816 285 L CB 1.964 43.878 42.059 -0.241 0.000 1.278 285 L HN 0.557 nan 8.230 nan 0.000 0.431 286 E N 3.101 123.280 120.200 -0.034 0.000 2.141 286 E HA 0.243 4.591 4.350 -0.003 0.000 0.259 286 E C -1.131 175.507 176.600 0.063 0.000 0.883 286 E CA -0.744 55.662 56.400 0.010 0.000 0.744 286 E CB 1.068 30.754 29.700 -0.022 0.000 1.150 286 E HN 0.497 nan 8.360 nan 0.000 0.420 287 K N 2.953 123.436 120.400 0.138 0.000 2.174 287 K HA 0.252 4.570 4.320 -0.003 0.000 0.275 287 K C -0.431 176.170 176.600 0.001 0.000 1.015 287 K CA -0.617 55.718 56.287 0.081 0.000 0.933 287 K CB 0.973 33.516 32.500 0.073 0.000 1.025 287 K HN 0.379 nan 8.250 nan 0.000 0.463 288 E N 2.112 122.287 120.200 -0.042 0.000 3.303 288 E HA 0.075 4.424 4.350 -0.003 0.000 0.215 288 E C -0.892 175.673 176.600 -0.058 0.000 1.181 288 E CA -0.682 55.694 56.400 -0.041 0.000 0.998 288 E CB 0.761 30.440 29.700 -0.036 0.000 1.312 288 E HN 0.669 nan 8.360 nan 0.000 0.412 289 E N 2.575 122.736 120.200 -0.066 0.000 2.829 289 E HA -0.200 4.149 4.350 -0.003 0.000 0.264 289 E C 0.098 176.666 176.600 -0.054 0.000 0.922 289 E CA 0.896 57.253 56.400 -0.072 0.000 0.960 289 E CB 0.636 30.300 29.700 -0.060 0.000 0.918 289 E HN 0.693 nan 8.360 nan 0.000 0.497 290 Q N 4.030 123.797 119.800 -0.056 0.000 3.062 290 Q HA 0.483 4.822 4.340 -0.003 0.000 0.229 290 Q C 0.137 176.117 176.000 -0.035 0.000 1.163 290 Q CA -0.569 55.209 55.803 -0.042 0.000 0.322 290 Q CB 0.566 29.279 28.738 -0.041 0.000 5.731 290 Q HN 0.549 nan 8.270 nan 0.000 0.328 291 M N -0.001 119.580 119.600 -0.032 0.000 2.622 291 M HA 0.264 4.742 4.480 -0.003 0.000 0.276 291 M C -1.755 174.531 176.300 -0.024 0.000 1.265 291 M CA -0.317 54.968 55.300 -0.025 0.000 0.850 291 M CB 2.590 35.178 32.600 -0.019 0.000 1.720 291 M HN 0.579 nan 8.290 nan 0.000 0.465 292 D N 2.065 122.454 120.400 -0.019 0.000 2.886 292 D HA 0.036 4.674 4.640 -0.003 0.000 0.221 292 D C -0.174 176.116 176.300 -0.018 0.000 1.227 292 D CA 1.995 55.986 54.000 -0.015 0.000 0.746 292 D CB -0.911 39.883 40.800 -0.011 0.000 0.935 292 D HN 1.026 nan 8.370 nan 0.000 0.399 293 G N -1.977 106.809 108.800 -0.023 0.000 2.513 293 G HA2 0.387 4.345 3.960 -0.003 0.000 0.182 293 G HA3 0.387 4.345 3.960 -0.003 0.000 0.182 293 G C 0.156 175.033 174.900 -0.039 0.000 1.190 293 G CA 0.143 45.226 45.100 -0.027 0.000 0.987 293 G HN 0.217 nan 8.290 nan 0.000 0.479 294 T N -0.746 113.772 114.554 -0.060 0.000 1.594 294 T HA 0.701 5.049 4.350 -0.003 0.000 0.179 294 T C 0.539 175.161 174.700 -0.131 0.000 0.686 294 T CA 0.755 62.802 62.100 -0.089 0.000 1.183 294 T CB -0.062 68.747 68.868 -0.098 0.000 3.378 294 T HN 1.593 nan 8.240 nan 0.000 0.412 295 V N -0.632 119.152 119.914 -0.216 0.000 3.204 295 V HA 0.922 5.041 4.120 -0.003 0.000 0.316 295 V C -0.039 175.869 176.094 -0.311 0.000 1.160 295 V CA -0.514 61.610 62.300 -0.294 0.000 1.044 295 V CB 1.214 32.760 31.823 -0.461 0.000 1.136 295 V HN 0.884 nan 8.190 nan 0.000 0.455 296 T N -0.270 114.109 114.554 -0.291 0.000 2.604 296 T HA 0.807 5.156 4.350 -0.003 0.000 0.267 296 T C -1.893 172.711 174.700 -0.159 0.000 0.923 296 T CA -0.611 61.371 62.100 -0.197 0.000 1.077 296 T CB 1.454 70.253 68.868 -0.114 0.000 1.392 296 T HN 0.711 nan 8.240 nan 0.000 0.531 297 L N 1.687 122.850 121.223 -0.099 0.000 2.528 297 L HA 0.549 4.887 4.340 -0.003 0.000 0.267 297 L C 0.684 177.492 176.870 -0.103 0.000 0.961 297 L CA -0.478 54.309 54.840 -0.088 0.000 0.866 297 L CB 2.046 43.973 42.059 -0.219 0.000 1.248 297 L HN 0.731 nan 8.230 nan 0.000 0.404 298 K N 0.718 121.073 120.400 -0.075 0.000 2.141 298 K HA 0.160 4.478 4.320 -0.003 0.000 0.202 298 K C -0.147 176.404 176.600 -0.082 0.000 1.045 298 K CA 0.775 57.021 56.287 -0.068 0.000 0.971 298 K CB 0.473 32.944 32.500 -0.048 0.000 0.795 298 K HN 0.671 nan 8.250 nan 0.000 0.459 299 D N -0.539 119.809 120.400 -0.086 0.000 2.609 299 D HA 0.320 4.959 4.640 -0.003 0.000 0.239 299 D C -1.622 174.616 176.300 -0.104 0.000 1.229 299 D CA -0.682 53.265 54.000 -0.090 0.000 0.808 299 D CB 1.504 42.266 40.800 -0.063 0.000 1.448 299 D HN 0.138 nan 8.370 nan 0.000 0.433 300 L N -0.212 120.945 121.223 -0.110 0.000 2.350 300 L HA 0.899 5.238 4.340 -0.003 0.000 0.260 300 L C -0.770 176.046 176.870 -0.089 0.000 1.015 300 L CA -0.914 53.861 54.840 -0.108 0.000 0.821 300 L CB 2.385 44.361 42.059 -0.138 0.000 1.370 300 L HN 0.464 nan 8.230 nan 0.000 0.416 301 R N 1.184 121.635 120.500 -0.081 0.000 2.747 301 R HA 0.731 5.070 4.340 -0.003 0.000 0.272 301 R C -2.416 173.840 176.300 -0.072 0.000 1.032 301 R CA -0.494 55.561 56.100 -0.075 0.000 0.896 301 R CB 2.000 32.262 30.300 -0.062 0.000 1.253 301 R HN 0.583 nan 8.270 nan 0.000 0.461 302 V N 1.898 121.766 119.914 -0.077 0.000 2.447 302 V HA 0.405 4.523 4.120 -0.003 0.000 0.292 302 V C -0.016 176.060 176.094 -0.030 0.000 1.021 302 V CA -0.793 61.463 62.300 -0.073 0.000 0.850 302 V CB 1.494 33.216 31.823 -0.169 0.000 1.005 302 V HN 0.645 nan 8.190 nan 0.000 0.426 303 E N 2.602 122.808 120.200 0.011 0.000 2.314 303 E HA 0.446 4.795 4.350 -0.003 0.000 0.262 303 E C -0.974 175.740 176.600 0.190 0.000 1.093 303 E CA -0.864 55.559 56.400 0.038 0.000 0.908 303 E CB 2.221 31.883 29.700 -0.063 0.000 1.091 303 E HN 0.454 nan 8.360 nan 0.000 0.425 304 L N 3.130 124.478 121.223 0.208 0.000 2.301 304 L HA 0.194 4.532 4.340 -0.003 0.000 0.278 304 L C 0.103 177.063 176.870 0.151 0.000 1.022 304 L CA 0.288 55.292 54.840 0.274 0.000 0.854 304 L CB 0.449 42.691 42.059 0.305 0.000 1.226 304 L HN 0.636 nan 8.230 nan 0.000 0.429 305 L N 4.470 125.733 121.223 0.067 0.000 2.093 305 L HA 0.286 4.624 4.340 -0.003 0.000 0.208 305 L C 1.342 178.307 176.870 0.159 0.000 1.085 305 L CA 1.164 56.077 54.840 0.122 0.000 0.755 305 L CB -0.496 41.580 42.059 0.028 0.000 0.904 305 L HN 0.927 nan 8.230 nan 0.000 0.435 306 G N -0.952 107.851 108.800 0.004 0.000 2.491 306 G HA2 0.024 3.983 3.960 -0.003 0.000 0.183 306 G HA3 0.024 3.983 3.960 -0.003 0.000 0.183 306 G C -1.551 173.291 174.900 -0.097 0.000 1.221 306 G CA -0.513 44.574 45.100 -0.020 0.000 0.996 306 G HN 0.005 nan 8.290 nan 0.000 0.474 307 E N 0.060 120.219 120.200 -0.069 0.000 2.256 307 E HA 0.648 4.997 4.350 -0.003 0.000 0.268 307 E C -0.148 176.417 176.600 -0.060 0.000 0.877 307 E CA -0.162 56.192 56.400 -0.077 0.000 0.757 307 E CB 1.935 31.604 29.700 -0.051 0.000 1.183 307 E HN 0.879 nan 8.360 nan 0.000 0.418 308 T N 0.241 114.753 114.554 -0.070 0.000 2.831 308 T HA 0.523 4.872 4.350 -0.003 0.000 0.287 308 T C -0.104 174.568 174.700 -0.048 0.000 1.070 308 T CA -0.845 61.221 62.100 -0.056 0.000 1.010 308 T CB 1.233 70.061 68.868 -0.067 0.000 1.264 308 T HN 0.262 nan 8.240 nan 0.000 0.532 309 S N 1.035 116.708 115.700 -0.046 0.000 2.579 309 S HA 0.281 4.750 4.470 -0.003 0.000 0.275 309 S C 0.724 175.297 174.600 -0.045 0.000 1.345 309 S CA -0.757 57.420 58.200 -0.039 0.000 1.031 309 S CB -0.174 62.998 63.200 -0.047 0.000 0.892 309 S HN 0.592 nan 8.310 nan 0.000 0.529 310 I N 2.354 122.911 120.570 -0.023 0.000 2.818 310 I HA -0.009 4.160 4.170 -0.003 0.000 0.285 310 I C 0.891 176.986 176.117 -0.037 0.000 1.160 310 I CA 0.067 61.355 61.300 -0.018 0.000 1.370 310 I CB -1.976 36.039 38.000 0.024 0.000 1.440 310 I HN 0.580 nan 8.210 nan 0.000 0.555 311 A N 7.079 129.867 122.820 -0.054 0.000 2.409 311 A HA 0.212 4.531 4.320 -0.003 0.000 0.267 311 A C 1.177 178.731 177.584 -0.050 0.000 1.127 311 A CA -0.337 51.655 52.037 -0.074 0.000 0.795 311 A CB 0.719 19.671 19.000 -0.080 0.000 1.061 311 A HN 0.737 nan 8.150 nan 0.000 0.502 312 E N 1.181 121.346 120.200 -0.058 0.000 2.052 312 E HA -0.010 4.339 4.350 -0.003 0.000 0.192 312 E C 0.545 177.116 176.600 -0.048 0.000 0.958 312 E CA 0.589 56.966 56.400 -0.039 0.000 0.835 312 E CB -0.024 29.657 29.700 -0.030 0.000 0.811 312 E HN 0.717 nan 8.360 nan 0.000 0.462 313 c N 1.564 120.126 118.600 -0.063 0.000 2.539 313 c HA 0.567 5.135 4.570 -0.003 0.000 0.392 313 c C -0.294 173.743 174.090 -0.088 0.000 1.269 313 c CA -0.476 55.820 56.329 -0.054 0.000 2.250 313 c CB -0.290 42.213 42.510 -0.012 0.000 2.584 313 c HN 0.296 nan 8.230 nan 0.000 0.589 314 L N 4.385 125.584 121.223 -0.039 0.000 2.472 314 L HA 0.695 5.033 4.340 -0.003 0.000 0.260 314 L C -0.577 176.328 176.870 0.058 0.000 0.963 314 L CA 0.317 55.144 54.840 -0.021 0.000 0.829 314 L CB 2.536 44.588 42.059 -0.011 0.000 1.348 314 L HN 0.802 nan 8.230 nan 0.000 0.408 315 T N 3.161 117.782 114.554 0.112 0.000 3.483 315 T HA 0.230 4.579 4.350 -0.003 0.000 0.329 315 T C -1.630 173.181 174.700 0.184 0.000 1.014 315 T CA -0.335 61.857 62.100 0.154 0.000 1.056 315 T CB 0.458 69.428 68.868 0.171 0.000 1.090 315 T HN 0.398 nan 8.240 nan 0.000 0.460 316 Y N 4.445 124.777 120.300 0.053 0.000 2.359 316 Y HA 0.593 5.142 4.550 -0.003 0.000 0.330 316 Y C -0.244 175.674 175.900 0.029 0.000 1.143 316 Y CA -0.319 57.803 58.100 0.038 0.000 1.318 316 Y CB 0.298 38.766 38.460 0.013 0.000 1.234 316 Y HN 0.622 nan 8.280 nan 0.000 0.522 317 L N 3.052 123.840 121.223 -0.725 0.000 2.760 317 L HA 0.347 4.686 4.340 -0.003 0.000 0.213 317 L C 1.050 177.397 176.870 -0.872 0.000 2.003 317 L CA -0.640 53.847 54.840 -0.589 0.000 2.737 317 L CB -0.114 41.764 42.059 -0.302 0.000 2.794 317 L HN 0.488 nan 8.230 nan 0.000 0.633 318 D N -0.113 120.018 120.400 -0.448 0.000 2.098 318 D HA -0.088 4.550 4.640 -0.003 0.000 0.207 318 D C 0.149 176.332 176.300 -0.195 0.000 0.979 318 D CA 1.409 55.254 54.000 -0.259 0.000 0.878 318 D CB 0.186 40.914 40.800 -0.120 0.000 1.028 318 D HN 0.267 nan 8.370 nan 0.000 0.452 319 N N -0.819 117.831 118.700 -0.083 0.000 2.664 319 N HA 0.344 5.082 4.740 -0.003 0.000 0.257 319 N C -0.085 175.511 175.510 0.143 0.000 1.108 319 N CA 0.399 53.499 53.050 0.083 0.000 0.822 319 N CB 1.499 40.020 38.487 0.057 0.000 1.199 319 N HN 0.386 nan 8.380 nan 0.000 0.529 320 G N 0.425 109.433 108.800 0.347 0.000 2.175 320 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.265 320 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.265 320 G C 0.064 175.118 174.900 0.255 0.000 0.979 320 G CA 0.404 45.698 45.100 0.323 0.000 0.663 320 G HN 0.389 nan 8.290 nan 0.000 0.533 321 V N 0.534 120.525 119.914 0.128 0.000 2.406 321 V HA 0.630 4.748 4.120 -0.003 0.000 0.272 321 V C 0.524 176.642 176.094 0.040 0.000 1.043 321 V CA -0.749 61.572 62.300 0.036 0.000 0.915 321 V CB 1.654 33.446 31.823 -0.052 0.000 0.988 321 V HN 0.234 nan 8.190 nan 0.000 0.466 322 V N 5.321 125.317 119.914 0.138 0.000 2.680 322 V HA 0.490 4.609 4.120 -0.003 0.000 0.309 322 V C -0.766 175.435 176.094 0.177 0.000 1.052 322 V CA -0.628 61.780 62.300 0.179 0.000 0.908 322 V CB 2.023 33.959 31.823 0.187 0.000 1.001 322 V HN 0.727 nan 8.190 nan 0.000 0.431 323 F N 5.041 125.000 119.950 0.015 0.000 2.388 323 F HA 0.655 5.180 4.527 -0.003 0.000 0.358 323 F C -0.249 175.555 175.800 0.006 0.000 1.122 323 F CA -0.739 57.260 58.000 -0.002 0.000 1.056 323 F CB 1.436 40.395 39.000 -0.068 0.000 1.155 323 F HN 0.227 nan 8.300 nan 0.000 0.461 324 V N 6.562 126.107 119.914 -0.614 0.000 2.240 324 V HA 0.380 4.498 4.120 -0.003 0.000 0.265 324 V C 0.754 176.433 176.094 -0.691 0.000 1.073 324 V CA -0.640 61.376 62.300 -0.473 0.000 0.857 324 V CB 0.443 32.139 31.823 -0.211 0.000 1.114 324 V HN 0.970 nan 8.190 nan 0.000 0.469 325 G N 2.596 110.950 108.800 -0.744 0.000 2.360 325 G HA2 0.383 4.341 3.960 -0.003 0.000 0.279 325 G HA3 0.383 4.341 3.960 -0.003 0.000 0.279 325 G C 0.022 174.782 174.900 -0.233 0.000 1.189 325 G CA 0.046 44.829 45.100 -0.528 0.000 0.941 325 G HN 0.624 nan 8.290 nan 0.000 0.445 326 S N 1.491 117.096 115.700 -0.159 0.000 2.537 326 S HA 0.522 4.990 4.470 -0.003 0.000 0.301 326 S C 1.012 175.586 174.600 -0.045 0.000 1.092 326 S CA -0.880 57.271 58.200 -0.083 0.000 1.048 326 S CB 1.893 65.054 63.200 -0.065 0.000 1.053 326 S HN 0.688 nan 8.310 nan 0.000 0.501 327 R N 2.619 123.103 120.500 -0.027 0.000 2.310 327 R HA 0.380 4.718 4.340 -0.003 0.000 0.199 327 R C 0.932 177.224 176.300 -0.014 0.000 0.891 327 R CA 0.287 56.376 56.100 -0.018 0.000 1.060 327 R CB -0.109 30.182 30.300 -0.014 0.000 1.188 327 R HN 0.707 nan 8.270 nan 0.000 0.607 328 L N 0.361 121.586 121.223 0.003 0.000 2.591 328 L HA 0.346 4.685 4.340 -0.003 0.000 0.228 328 L C 0.881 177.744 176.870 -0.013 0.000 1.133 328 L CA 0.238 55.084 54.840 0.010 0.000 0.880 328 L CB 0.856 42.971 42.059 0.094 0.000 1.033 328 L HN 0.264 nan 8.230 nan 0.000 0.450 329 G N -1.846 106.942 108.800 -0.019 0.000 2.650 329 G HA2 0.194 4.153 3.960 -0.003 0.000 0.310 329 G HA3 0.194 4.153 3.960 -0.003 0.000 0.310 329 G C -1.785 173.099 174.900 -0.026 0.000 1.270 329 G CA -0.611 44.470 45.100 -0.032 0.000 0.810 329 G HN -0.219 nan 8.290 nan 0.000 0.493 330 D N 1.185 121.570 120.400 -0.025 0.000 2.348 330 D HA 0.471 5.109 4.640 -0.003 0.000 0.253 330 D C 0.778 177.087 176.300 0.016 0.000 1.161 330 D CA 0.339 54.342 54.000 0.005 0.000 0.876 330 D CB 1.409 42.206 40.800 -0.005 0.000 1.160 330 D HN 0.195 nan 8.370 nan 0.000 0.459 331 S N 1.583 117.316 115.700 0.055 0.000 2.580 331 S HA 0.220 4.689 4.470 -0.003 0.000 0.266 331 S C 0.341 175.075 174.600 0.223 0.000 1.354 331 S CA -0.301 57.928 58.200 0.047 0.000 1.008 331 S CB 0.543 63.772 63.200 0.047 0.000 0.898 331 S HN 0.496 nan 8.310 nan 0.000 0.555 332 Q N -0.089 119.827 119.800 0.194 0.000 2.575 332 Q HA 0.649 4.987 4.340 -0.003 0.000 0.290 332 Q C -2.019 174.159 176.000 0.298 0.000 0.963 332 Q CA -1.020 54.904 55.803 0.202 0.000 0.783 332 Q CB 0.807 29.552 28.738 0.011 0.000 1.467 332 Q HN 0.371 nan 8.270 nan 0.000 0.402 333 L N 0.980 122.334 121.223 0.219 0.000 2.309 333 L HA 0.711 5.050 4.340 -0.003 0.000 0.282 333 L C -1.173 175.749 176.870 0.086 0.000 1.036 333 L CA -0.584 54.390 54.840 0.224 0.000 0.806 333 L CB 2.036 44.219 42.059 0.208 0.000 1.220 333 L HN 0.621 nan 8.230 nan 0.000 0.429 334 V N 3.461 123.429 119.914 0.090 0.000 2.709 334 V HA 0.515 4.633 4.120 -0.003 0.000 0.308 334 V C -0.721 175.418 176.094 0.075 0.000 1.062 334 V CA -0.904 61.432 62.300 0.059 0.000 0.901 334 V CB 2.222 34.069 31.823 0.040 0.000 1.003 334 V HN 0.636 nan 8.190 nan 0.000 0.425 335 K N 4.957 125.394 120.400 0.062 0.000 2.213 335 K HA 0.580 4.898 4.320 -0.003 0.000 0.270 335 K C -1.117 175.534 176.600 0.085 0.000 1.002 335 K CA -0.246 56.086 56.287 0.075 0.000 0.868 335 K CB 0.953 33.485 32.500 0.054 0.000 1.093 335 K HN 0.590 nan 8.250 nan 0.000 0.454 336 L N 5.233 126.522 121.223 0.109 0.000 2.259 336 L HA 0.375 4.714 4.340 -0.003 0.000 0.288 336 L C 0.020 176.953 176.870 0.104 0.000 1.051 336 L CA -0.448 54.456 54.840 0.106 0.000 0.824 336 L CB 0.688 42.797 42.059 0.084 0.000 1.206 336 L HN 0.705 nan 8.230 nan 0.000 0.429 337 N N 0.817 119.589 118.700 0.119 0.000 2.458 337 N HA 0.228 4.967 4.740 -0.003 0.000 0.271 337 N C 1.135 176.742 175.510 0.162 0.000 1.210 337 N CA -0.802 52.317 53.050 0.114 0.000 0.978 337 N CB 1.813 40.352 38.487 0.087 0.000 1.206 337 N HN 0.346 nan 8.380 nan 0.000 0.536 338 V N -2.370 117.622 119.914 0.130 0.000 2.591 338 V HA -0.026 4.093 4.120 -0.003 0.000 0.249 338 V C 0.146 176.403 176.094 0.272 0.000 1.053 338 V CA 1.258 63.646 62.300 0.147 0.000 1.068 338 V CB -0.406 31.465 31.823 0.080 0.000 0.689 338 V HN 0.533 nan 8.190 nan 0.000 0.462 339 D N 1.220 121.727 120.400 0.179 0.000 2.163 339 D HA 0.444 5.082 4.640 -0.003 0.000 0.248 339 D C -0.226 176.028 176.300 -0.076 0.000 1.035 339 D CA -0.011 54.046 54.000 0.095 0.000 0.872 339 D CB 1.831 42.653 40.800 0.035 0.000 1.183 339 D HN 0.313 nan 8.370 nan 0.000 0.445 340 S N 1.345 116.862 115.700 -0.306 0.000 2.580 340 S HA 0.175 4.644 4.470 -0.003 0.000 0.274 340 S C 0.726 175.192 174.600 -0.223 0.000 1.329 340 S CA -0.835 57.069 58.200 -0.493 0.000 1.036 340 S CB 0.575 63.411 63.200 -0.608 0.000 0.919 340 S HN 0.499 nan 8.310 nan 0.000 0.515 341 N N 1.648 120.236 118.700 -0.186 0.000 2.318 341 N HA 0.075 4.814 4.740 -0.003 0.000 0.283 341 N C -0.508 174.937 175.510 -0.108 0.000 1.306 341 N CA -0.642 52.341 53.050 -0.111 0.000 0.941 341 N CB -0.251 38.187 38.487 -0.083 0.000 1.059 341 N HN 0.616 nan 8.380 nan 0.000 0.496 342 E N -0.383 119.771 120.200 -0.078 0.000 2.344 342 E HA 0.021 4.369 4.350 -0.003 0.000 0.270 342 E C -0.298 176.259 176.600 -0.072 0.000 1.021 342 E CA -0.015 56.345 56.400 -0.066 0.000 0.887 342 E CB 0.937 30.608 29.700 -0.047 0.000 0.997 342 E HN 0.728 nan 8.360 nan 0.000 0.429 343 Q N 1.095 120.853 119.800 -0.069 0.000 4.846 343 Q HA -0.153 4.186 4.340 -0.003 0.000 0.240 343 Q C 0.587 176.538 176.000 -0.082 0.000 1.012 343 Q CA 0.905 56.670 55.803 -0.064 0.000 0.909 343 Q CB -1.572 27.133 28.738 -0.056 0.000 0.692 343 Q HN 1.068 nan 8.270 nan 0.000 1.055 344 G N 0.695 109.410 108.800 -0.142 0.000 2.288 344 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.205 344 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.205 344 G C -0.440 174.283 174.900 -0.295 0.000 1.071 344 G CA 0.327 45.291 45.100 -0.227 0.000 0.788 344 G HN 0.330 nan 8.290 nan 0.000 0.491 345 S N -0.462 115.074 115.700 -0.274 0.000 2.422 345 S HA 0.637 5.106 4.470 -0.003 0.000 0.308 345 S C 1.068 175.518 174.600 -0.251 0.000 1.097 345 S CA -0.581 57.502 58.200 -0.194 0.000 1.099 345 S CB 0.465 63.614 63.200 -0.085 0.000 0.976 345 S HN 0.332 nan 8.310 nan 0.000 0.471 346 Y N 2.880 123.173 120.300 -0.011 0.000 2.511 346 Y HA 0.253 4.801 4.550 -0.003 0.000 0.279 346 Y C 0.711 176.608 175.900 -0.006 0.000 1.157 346 Y CA -0.175 57.921 58.100 -0.006 0.000 1.300 346 Y CB 0.204 38.662 38.460 -0.004 0.000 1.052 346 Y HN 0.325 nan 8.280 nan 0.000 0.529 347 V N 1.487 121.468 119.914 0.111 0.000 2.432 347 V HA 0.287 4.405 4.120 -0.003 0.000 0.275 347 V C -0.189 175.919 176.094 0.023 0.000 1.043 347 V CA -0.819 61.516 62.300 0.058 0.000 0.925 347 V CB 1.460 33.299 31.823 0.027 0.000 0.985 347 V HN -0.166 nan 8.190 nan 0.000 0.466 348 V N 4.514 124.443 119.914 0.025 0.000 2.531 348 V HA 0.650 4.769 4.120 -0.003 0.000 0.301 348 V C 0.396 176.495 176.094 0.007 0.000 1.034 348 V CA -0.740 61.566 62.300 0.009 0.000 0.865 348 V CB 1.961 33.789 31.823 0.009 0.000 0.995 348 V HN 0.982 nan 8.190 nan 0.000 0.424 349 A N 5.731 128.547 122.820 -0.006 0.000 2.450 349 A HA 0.508 4.826 4.320 -0.003 0.000 0.255 349 A C 0.692 178.263 177.584 -0.021 0.000 1.096 349 A CA 0.119 52.147 52.037 -0.015 0.000 0.778 349 A CB 0.350 19.334 19.000 -0.025 0.000 1.031 349 A HN 0.919 nan 8.150 nan 0.000 0.494 350 M N 0.786 120.372 119.600 -0.024 0.000 2.556 350 M HA 0.217 4.695 4.480 -0.003 0.000 0.259 350 M C 0.910 177.160 176.300 -0.083 0.000 1.175 350 M CA 1.048 56.327 55.300 -0.034 0.000 1.202 350 M CB 0.290 32.884 32.600 -0.009 0.000 1.298 350 M HN 0.797 nan 8.290 nan 0.000 0.492 351 E N -0.532 119.583 120.200 -0.141 0.000 2.390 351 E HA 0.344 4.693 4.350 -0.003 0.000 0.277 351 E C -1.508 174.848 176.600 -0.407 0.000 0.939 351 E CA -0.250 55.972 56.400 -0.295 0.000 0.769 351 E CB 2.721 32.170 29.700 -0.419 0.000 1.251 351 E HN -0.092 nan 8.360 nan 0.000 0.450 352 T N 2.559 116.838 114.554 -0.458 0.000 2.906 352 T HA 0.397 4.746 4.350 -0.003 0.000 0.302 352 T C -1.069 173.434 174.700 -0.329 0.000 1.002 352 T CA -0.426 61.484 62.100 -0.318 0.000 0.988 352 T CB -0.080 68.698 68.868 -0.149 0.000 0.972 352 T HN 0.208 nan 8.240 nan 0.000 0.447 353 F N 3.318 123.273 119.950 0.008 0.000 2.375 353 F HA 0.263 4.788 4.527 -0.003 0.000 0.362 353 F C 1.588 177.387 175.800 -0.003 0.000 1.129 353 F CA -1.064 56.946 58.000 0.018 0.000 1.154 353 F CB 0.509 39.542 39.000 0.055 0.000 1.205 353 F HN 0.428 nan 8.300 nan 0.000 0.513 354 T N 0.177 114.805 114.554 0.123 0.000 2.758 354 T HA 0.027 4.375 4.350 -0.003 0.000 0.281 354 T C -0.232 174.494 174.700 0.043 0.000 0.963 354 T CA -0.551 61.572 62.100 0.039 0.000 1.201 354 T CB -0.052 68.805 68.868 -0.018 0.000 0.906 354 T HN 0.543 nan 8.240 nan 0.000 0.528 355 N N 3.120 121.832 118.700 0.019 0.000 2.372 355 N HA 0.358 5.097 4.740 -0.003 0.000 0.291 355 N C 0.561 176.052 175.510 -0.030 0.000 1.024 355 N CA -1.074 51.978 53.050 0.004 0.000 0.873 355 N CB 1.134 39.627 38.487 0.011 0.000 1.206 355 N HN 0.553 nan 8.380 nan 0.000 0.486 356 L N 2.465 123.667 121.223 -0.035 0.000 2.492 356 L HA 0.339 4.678 4.340 -0.003 0.000 0.223 356 L C 1.628 178.465 176.870 -0.054 0.000 1.132 356 L CA 0.342 55.149 54.840 -0.055 0.000 0.850 356 L CB -1.155 40.872 42.059 -0.054 0.000 0.966 356 L HN 0.863 nan 8.230 nan 0.000 0.454 357 G N 0.823 109.598 108.800 -0.041 0.000 2.574 357 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.295 357 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.295 357 G C -2.340 172.531 174.900 -0.047 0.000 1.300 357 G CA -0.597 44.477 45.100 -0.043 0.000 0.944 357 G HN 0.166 nan 8.290 nan 0.000 0.551 358 P HA 0.247 nan 4.420 nan 0.000 0.260 358 P C 0.158 177.422 177.300 -0.060 0.000 1.207 358 P CA 0.265 63.328 63.100 -0.061 0.000 0.780 358 P CB 0.038 31.682 31.700 -0.094 0.000 0.789 359 I N 4.299 124.848 120.570 -0.036 0.000 2.329 359 I HA -0.015 4.154 4.170 -0.003 0.000 0.295 359 I C 1.543 177.646 176.117 -0.023 0.000 1.109 359 I CA -0.213 61.064 61.300 -0.037 0.000 1.297 359 I CB 0.747 38.730 38.000 -0.028 0.000 1.433 359 I HN 0.189 nan 8.210 nan 0.000 0.509 360 V N 4.132 124.022 119.914 -0.039 0.000 2.407 360 V HA -0.031 4.087 4.120 -0.003 0.000 0.245 360 V C 0.597 176.689 176.094 -0.002 0.000 1.041 360 V CA 1.424 63.711 62.300 -0.022 0.000 1.040 360 V CB -0.457 31.337 31.823 -0.048 0.000 0.671 360 V HN 0.781 nan 8.190 nan 0.000 0.455 361 D N -1.442 118.949 120.400 -0.016 0.000 2.615 361 D HA 0.599 5.237 4.640 -0.003 0.000 0.267 361 D C -0.941 175.348 176.300 -0.018 0.000 1.236 361 D CA -0.515 53.483 54.000 -0.003 0.000 0.839 361 D CB 2.043 42.849 40.800 0.009 0.000 1.380 361 D HN 0.182 nan 8.370 nan 0.000 0.433 362 M N -0.323 119.276 119.600 -0.002 0.000 2.833 362 M HA 0.664 5.142 4.480 -0.003 0.000 0.270 362 M C -1.661 174.656 176.300 0.028 0.000 1.209 362 M CA -0.801 54.493 55.300 -0.010 0.000 0.826 362 M CB 1.985 34.572 32.600 -0.022 0.000 1.657 362 M HN 0.701 nan 8.290 nan 0.000 0.492 363 C N -0.240 119.080 119.300 0.033 0.000 3.311 363 C HA 0.884 5.342 4.460 -0.003 0.000 0.325 363 C C -1.122 173.912 174.990 0.072 0.000 1.352 363 C CA -0.715 58.351 59.018 0.081 0.000 1.308 363 C CB 1.400 29.225 27.740 0.142 0.000 1.619 363 C HN 0.868 nan 8.230 nan 0.000 0.469 364 V N 1.989 121.958 119.914 0.093 0.000 2.347 364 V HA 0.714 4.833 4.120 -0.003 0.000 0.280 364 V C -0.180 175.963 176.094 0.082 0.000 1.021 364 V CA -0.183 62.162 62.300 0.074 0.000 0.847 364 V CB 0.986 32.853 31.823 0.073 0.000 0.990 364 V HN 0.839 nan 8.190 nan 0.000 0.444 365 V N 3.440 123.378 119.914 0.039 0.000 2.760 365 V HA 0.372 4.490 4.120 -0.003 0.000 0.309 365 V C -0.081 175.992 176.094 -0.036 0.000 1.077 365 V CA -0.507 61.768 62.300 -0.042 0.000 0.910 365 V CB 2.185 33.894 31.823 -0.191 0.000 1.008 365 V HN 0.850 nan 8.190 nan 0.000 0.424 366 D N 2.900 123.282 120.400 -0.030 0.000 2.349 366 D HA 0.168 4.806 4.640 -0.003 0.000 0.224 366 D C 1.921 178.218 176.300 -0.006 0.000 1.029 366 D CA 0.242 54.241 54.000 -0.001 0.000 0.879 366 D CB 0.123 40.937 40.800 0.024 0.000 0.906 366 D HN 0.499 nan 8.370 nan 0.000 0.528 367 L N 0.758 121.954 121.223 -0.044 0.000 2.848 367 L HA -0.450 3.889 4.340 -0.003 0.000 0.205 367 L C 2.013 178.894 176.870 0.018 0.000 2.222 367 L CA 2.146 56.971 54.840 -0.025 0.000 0.720 367 L CB -0.915 41.177 42.059 0.054 0.000 1.637 367 L HN 0.277 nan 8.230 nan 0.000 0.399 368 E N 0.105 120.327 120.200 0.035 0.000 2.333 368 E HA -0.183 4.165 4.350 -0.003 0.000 0.198 368 E C 0.828 177.451 176.600 0.038 0.000 1.007 368 E CA 0.642 57.066 56.400 0.041 0.000 0.845 368 E CB -0.302 29.412 29.700 0.023 0.000 0.766 368 E HN 0.433 nan 8.360 nan 0.000 0.507 369 R N 0.734 121.253 120.500 0.032 0.000 3.261 369 R HA -0.236 4.103 4.340 -0.003 0.000 0.257 369 R C 0.411 176.727 176.300 0.027 0.000 1.014 369 R CA 0.736 56.858 56.100 0.037 0.000 0.681 369 R CB -1.340 28.992 30.300 0.053 0.000 1.155 369 R HN 0.437 nan 8.270 nan 0.000 0.424 370 Q N -1.860 117.950 119.800 0.017 0.000 2.530 370 Q HA 0.287 4.626 4.340 -0.003 0.000 0.198 370 Q C 1.532 177.536 176.000 0.006 0.000 0.956 370 Q CA 0.634 56.441 55.803 0.007 0.000 0.870 370 Q CB 0.476 29.212 28.738 -0.003 0.000 1.050 370 Q HN 0.491 nan 8.270 nan 0.000 0.604 371 G N 0.493 109.297 108.800 0.005 0.000 4.103 371 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.163 371 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.163 371 G C -0.679 174.224 174.900 0.005 0.000 0.840 371 G CA -0.341 44.762 45.100 0.005 0.000 0.905 371 G HN 0.240 nan 8.290 nan 0.000 0.377 372 Q N 1.326 121.126 119.800 -0.001 0.000 2.313 372 Q HA 0.561 4.899 4.340 -0.003 0.000 0.266 372 Q C 0.412 176.417 176.000 0.008 0.000 0.989 372 Q CA 0.250 56.053 55.803 -0.001 0.000 0.890 372 Q CB 1.163 29.894 28.738 -0.012 0.000 1.200 372 Q HN 0.340 nan 8.270 nan 0.000 0.396 373 G N 3.169 111.978 108.800 0.014 0.000 2.325 373 G HA2 0.308 4.267 3.960 -0.003 0.000 0.298 373 G HA3 0.308 4.267 3.960 -0.003 0.000 0.298 373 G C -0.543 174.366 174.900 0.014 0.000 1.134 373 G CA -0.762 44.350 45.100 0.020 0.000 0.876 373 G HN 0.535 nan 8.290 nan 0.000 0.452 374 Q N 0.487 120.294 119.800 0.012 0.000 2.312 374 Q HA 0.320 4.658 4.340 -0.003 0.000 0.236 374 Q C -0.809 175.192 176.000 0.001 0.000 0.965 374 Q CA -0.673 55.134 55.803 0.007 0.000 0.894 374 Q CB 2.462 31.209 28.738 0.016 0.000 1.225 374 Q HN 0.396 nan 8.270 nan 0.000 0.478 375 L N 1.337 122.549 121.223 -0.018 0.000 2.296 375 L HA 0.308 4.646 4.340 -0.003 0.000 0.286 375 L C -1.115 175.709 176.870 -0.076 0.000 1.023 375 L CA -0.514 54.307 54.840 -0.031 0.000 0.812 375 L CB 1.731 43.771 42.059 -0.032 0.000 1.223 375 L HN 0.335 nan 8.230 nan 0.000 0.421 376 V N 3.852 123.711 119.914 -0.091 0.000 2.293 376 V HA 0.410 4.528 4.120 -0.003 0.000 0.275 376 V C 0.184 176.181 176.094 -0.162 0.000 1.021 376 V CA -0.493 61.693 62.300 -0.190 0.000 0.815 376 V CB 0.952 32.570 31.823 -0.341 0.000 1.025 376 V HN 0.870 nan 8.190 nan 0.000 0.448 377 T N 0.824 115.286 114.554 -0.155 0.000 2.907 377 T HA 0.376 4.725 4.350 -0.003 0.000 0.284 377 T C -0.072 174.546 174.700 -0.136 0.000 1.004 377 T CA -0.589 61.439 62.100 -0.119 0.000 1.063 377 T CB 1.211 70.020 68.868 -0.100 0.000 0.992 377 T HN 0.494 nan 8.240 nan 0.000 0.483 378 C N 3.675 122.912 119.300 -0.105 0.000 2.289 378 C HA 0.594 5.052 4.460 -0.003 0.000 0.340 378 C C 0.884 175.812 174.990 -0.103 0.000 1.152 378 C CA -0.392 58.563 59.018 -0.105 0.000 1.650 378 C CB -1.643 26.049 27.740 -0.080 0.000 2.203 378 C HN 0.950 nan 8.230 nan 0.000 0.511 379 S N 1.577 117.205 115.700 -0.120 0.000 2.621 379 S HA 0.882 5.351 4.470 -0.003 0.000 0.302 379 S C 0.313 174.837 174.600 -0.126 0.000 1.093 379 S CA 0.390 58.521 58.200 -0.114 0.000 1.017 379 S CB 1.599 64.729 63.200 -0.117 0.000 1.077 379 S HN 1.412 nan 8.310 nan 0.000 0.517 380 G N 0.524 109.254 108.800 -0.117 0.000 2.901 380 G HA2 0.257 4.216 3.960 -0.003 0.000 0.654 380 G HA3 0.257 4.216 3.960 -0.003 0.000 0.654 380 G C -0.360 174.438 174.900 -0.172 0.000 1.550 380 G CA -0.398 44.628 45.100 -0.122 0.000 0.978 380 G HN 1.189 nan 8.290 nan 0.000 0.566 381 A N 0.218 122.926 122.820 -0.186 0.000 2.387 381 A HA 1.058 5.376 4.320 -0.003 0.000 0.303 381 A C 0.706 178.147 177.584 -0.238 0.000 1.145 381 A CA 0.356 52.158 52.037 -0.392 0.000 0.801 381 A CB 0.651 19.285 19.000 -0.611 0.000 1.342 381 A HN 2.086 nan 8.150 nan 0.000 0.440 382 F N -0.477 119.443 119.950 -0.051 0.000 3.093 382 F HA -0.454 4.072 4.527 -0.003 0.000 0.240 382 F C 2.316 178.094 175.800 -0.037 0.000 1.138 382 F CA 1.993 59.967 58.000 -0.044 0.000 1.408 382 F CB -0.668 38.312 39.000 -0.032 0.000 0.627 382 F HN 0.755 nan 8.300 nan 0.000 0.532 383 K N 1.108 121.642 120.400 0.223 0.000 2.360 383 K HA -0.116 4.202 4.320 -0.003 0.000 0.201 383 K C 0.728 177.361 176.600 0.055 0.000 1.046 383 K CA 1.945 58.311 56.287 0.131 0.000 0.945 383 K CB -0.337 32.234 32.500 0.119 0.000 0.750 383 K HN 0.596 nan 8.250 nan 0.000 0.464 384 E N 1.519 121.734 120.200 0.024 0.000 2.419 384 E HA 0.085 4.433 4.350 -0.003 0.000 0.190 384 E C 0.475 177.002 176.600 -0.120 0.000 1.040 384 E CA 0.057 56.424 56.400 -0.055 0.000 0.900 384 E CB 0.573 30.259 29.700 -0.023 0.000 1.054 384 E HN 0.421 nan 8.360 nan 0.000 0.462 385 G N 1.681 110.407 108.800 -0.124 0.000 2.491 385 G HA2 0.278 4.237 3.960 -0.003 0.000 0.242 385 G HA3 0.278 4.237 3.960 -0.003 0.000 0.242 385 G C 0.094 174.872 174.900 -0.203 0.000 1.266 385 G CA 0.173 45.181 45.100 -0.153 0.000 0.844 385 G HN 0.179 nan 8.290 nan 0.000 0.571 386 S N 0.512 116.104 115.700 -0.181 0.000 2.611 386 S HA 0.569 5.037 4.470 -0.003 0.000 0.268 386 S C -0.817 173.683 174.600 -0.168 0.000 1.156 386 S CA -1.041 57.043 58.200 -0.193 0.000 0.817 386 S CB 0.922 63.995 63.200 -0.211 0.000 1.122 386 S HN 0.564 nan 8.310 nan 0.000 0.466 387 L N 1.086 122.201 121.223 -0.180 0.000 2.399 387 L HA 0.686 5.025 4.340 -0.003 0.000 0.265 387 L C 0.317 177.041 176.870 -0.244 0.000 1.089 387 L CA -0.912 53.801 54.840 -0.211 0.000 0.802 387 L CB 0.630 42.547 42.059 -0.236 0.000 1.180 387 L HN 0.553 nan 8.230 nan 0.000 0.454 388 R N 2.021 122.374 120.500 -0.245 0.000 2.628 388 R HA 0.588 4.927 4.340 -0.003 0.000 0.288 388 R C -1.409 174.730 176.300 -0.268 0.000 0.980 388 R CA -0.836 55.115 56.100 -0.249 0.000 0.891 388 R CB 2.287 32.478 30.300 -0.182 0.000 1.188 388 R HN 0.385 nan 8.270 nan 0.000 0.450 389 I N 3.470 123.863 120.570 -0.295 0.000 2.378 389 I HA 0.418 4.586 4.170 -0.003 0.000 0.291 389 I C 0.049 176.078 176.117 -0.145 0.000 0.992 389 I CA -0.299 60.862 61.300 -0.232 0.000 1.154 389 I CB 1.378 39.208 38.000 -0.282 0.000 1.315 389 I HN 0.389 nan 8.210 nan 0.000 0.448 390 I N 6.108 126.623 120.570 -0.093 0.000 2.404 390 I HA 0.544 4.713 4.170 -0.003 0.000 0.293 390 I C -0.050 176.058 176.117 -0.014 0.000 0.992 390 I CA -0.627 60.641 61.300 -0.054 0.000 1.149 390 I CB 1.278 39.247 38.000 -0.051 0.000 1.315 390 I HN 0.468 nan 8.210 nan 0.000 0.446 391 R N 5.704 126.216 120.500 0.019 0.000 2.500 391 R HA 0.284 4.622 4.340 -0.003 0.000 0.299 391 R C -1.320 174.994 176.300 0.024 0.000 1.038 391 R CA -0.578 55.538 56.100 0.028 0.000 0.903 391 R CB 1.357 31.688 30.300 0.051 0.000 1.177 391 R HN 0.668 nan 8.270 nan 0.000 0.455 392 N N 2.140 120.841 118.700 0.002 0.000 2.497 392 N HA 0.251 4.990 4.740 -0.003 0.000 0.268 392 N C -0.006 175.485 175.510 -0.031 0.000 1.171 392 N CA 1.943 54.986 53.050 -0.011 0.000 0.948 392 N CB 0.983 39.460 38.487 -0.017 0.000 1.069 392 N HN 0.889 nan 8.380 nan 0.000 0.460 393 G N 2.323 111.099 108.800 -0.039 0.000 2.710 393 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.668 393 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.668 393 G C -0.794 174.053 174.900 -0.087 0.000 1.320 393 G CA -0.703 44.358 45.100 -0.066 0.000 0.860 393 G HN 0.568 nan 8.290 nan 0.000 0.538 394 I N 1.725 122.228 120.570 -0.112 0.000 2.362 394 I HA 0.579 4.748 4.170 -0.003 0.000 0.289 394 I C 1.199 177.220 176.117 -0.161 0.000 0.994 394 I CA -0.134 61.077 61.300 -0.149 0.000 1.158 394 I CB 1.530 39.444 38.000 -0.143 0.000 1.315 394 I HN 0.856 nan 8.210 nan 0.000 0.451 395 G N 5.738 114.409 108.800 -0.215 0.000 2.522 395 G HA2 0.718 4.676 3.960 -0.003 0.000 0.304 395 G HA3 0.718 4.676 3.960 -0.003 0.000 0.304 395 G C -0.664 174.073 174.900 -0.271 0.000 1.210 395 G CA -0.441 44.519 45.100 -0.233 0.000 0.960 395 G HN 0.546 nan 8.290 nan 0.000 0.497 396 I N -3.191 117.216 120.570 -0.272 0.000 2.740 396 I HA 0.467 4.635 4.170 -0.003 0.000 0.303 396 I C -0.752 175.165 176.117 -0.333 0.000 1.044 396 I CA -1.409 59.739 61.300 -0.253 0.000 1.064 396 I CB 2.126 40.038 38.000 -0.147 0.000 1.249 396 I HN 0.310 nan 8.210 nan 0.000 0.433 397 H N 3.336 122.347 119.070 -0.099 0.000 2.700 397 H HA 0.328 4.882 4.556 -0.003 0.000 0.269 397 H C -0.572 174.632 175.328 -0.207 0.000 1.222 397 H CA -0.450 55.515 56.048 -0.139 0.000 1.254 397 H CB 0.570 30.261 29.762 -0.118 0.000 1.413 397 H HN 0.809 nan 8.280 nan 0.000 0.507 398 E N 2.047 122.195 120.200 -0.086 0.000 2.373 398 E HA 0.105 4.453 4.350 -0.003 0.000 0.263 398 E C -0.028 176.436 176.600 -0.226 0.000 1.073 398 E CA -0.106 56.233 56.400 -0.102 0.000 0.894 398 E CB 1.222 30.888 29.700 -0.057 0.000 1.008 398 E HN 0.503 nan 8.360 nan 0.000 0.420 399 H N 1.487 120.586 119.070 0.049 0.000 2.274 399 H HA 0.386 4.940 4.556 -0.003 0.000 0.271 399 H C -0.260 175.123 175.328 0.092 0.000 0.945 399 H CA 0.463 56.586 56.048 0.124 0.000 1.200 399 H CB 0.860 30.805 29.762 0.305 0.000 1.456 399 H HN 0.642 nan 8.280 nan 0.000 0.536 400 A N 0.716 123.600 122.820 0.106 0.000 2.414 400 A HA 0.519 4.838 4.320 -0.003 0.000 0.306 400 A C -0.833 176.722 177.584 -0.048 0.000 1.054 400 A CA -0.454 51.597 52.037 0.023 0.000 0.724 400 A CB 2.025 21.023 19.000 -0.003 0.000 1.267 400 A HN 0.127 nan 8.150 nan 0.000 0.418 401 S N 1.772 117.460 115.700 -0.020 0.000 2.774 401 S HA 0.610 5.078 4.470 -0.003 0.000 0.297 401 S C -1.079 173.511 174.600 -0.018 0.000 1.143 401 S CA -0.342 57.841 58.200 -0.029 0.000 1.090 401 S CB -0.296 62.892 63.200 -0.019 0.000 1.019 401 S HN 0.496 nan 8.310 nan 0.000 0.482 402 I N 3.544 124.100 120.570 -0.025 0.000 2.437 402 I HA 0.347 4.515 4.170 -0.003 0.000 0.298 402 I C -0.679 175.435 176.117 -0.005 0.000 0.984 402 I CA -0.546 60.749 61.300 -0.008 0.000 1.214 402 I CB 1.730 39.727 38.000 -0.005 0.000 1.365 402 I HN 0.502 nan 8.210 nan 0.000 0.469 403 D N 7.281 127.684 120.400 0.006 0.000 2.393 403 D HA 0.371 5.009 4.640 -0.003 0.000 0.232 403 D C -0.605 175.708 176.300 0.022 0.000 1.192 403 D CA 0.041 54.045 54.000 0.007 0.000 0.882 403 D CB 0.365 41.170 40.800 0.008 0.000 1.038 403 D HN 0.281 nan 8.370 nan 0.000 0.499 404 L N 3.811 125.042 121.223 0.012 0.000 2.408 404 L HA 0.320 4.659 4.340 -0.003 0.000 0.257 404 L C -2.362 174.480 176.870 -0.046 0.000 1.053 404 L CA -2.035 52.824 54.840 0.030 0.000 0.922 404 L CB 1.358 43.454 42.059 0.062 0.000 1.261 404 L HN 0.076 nan 8.230 nan 0.000 0.458 405 P HA 0.156 nan 4.420 nan 0.000 0.263 405 P C 0.794 177.951 177.300 -0.237 0.000 1.276 405 P CA 0.461 63.507 63.100 -0.089 0.000 0.986 405 P CB 0.571 32.253 31.700 -0.030 0.000 1.105 406 G N 2.868 111.468 108.800 -0.332 0.000 2.161 406 G HA2 -0.131 3.828 3.960 -0.003 0.000 0.140 406 G HA3 -0.131 3.828 3.960 -0.003 0.000 0.140 406 G C -0.083 174.432 174.900 -0.643 0.000 1.040 406 G CA -0.684 44.113 45.100 -0.505 0.000 0.735 406 G HN 0.390 nan 8.290 nan 0.000 0.496 407 I N 0.974 121.303 120.570 -0.403 0.000 2.618 407 I HA 0.229 4.398 4.170 -0.003 0.000 0.284 407 I C 0.888 176.893 176.117 -0.188 0.000 1.146 407 I CA 0.309 61.445 61.300 -0.273 0.000 1.425 407 I CB 0.812 38.733 38.000 -0.132 0.000 1.383 407 I HN -0.122 nan 8.210 nan 0.000 0.562 408 K N 4.964 125.196 120.400 -0.280 0.000 2.676 408 K HA 0.425 4.744 4.320 -0.003 0.000 0.205 408 K C -0.073 176.036 176.600 -0.819 0.000 1.084 408 K CA -0.222 55.818 56.287 -0.412 0.000 1.057 408 K CB 1.388 33.792 32.500 -0.161 0.000 0.791 408 K HN 0.955 nan 8.250 nan 0.000 0.484 409 G N 1.203 109.430 108.800 -0.954 0.000 2.329 409 G HA2 0.314 4.272 3.960 -0.003 0.000 0.308 409 G HA3 0.314 4.272 3.960 -0.003 0.000 0.308 409 G C -2.206 172.136 174.900 -0.930 0.000 1.587 409 G CA -1.109 43.344 45.100 -1.078 0.000 0.978 409 G HN 0.029 nan 8.290 nan 0.000 0.685 410 L N -2.306 118.067 121.223 -1.416 0.000 2.549 410 L HA 0.895 5.233 4.340 -0.003 0.000 0.259 410 L C -1.059 175.194 176.870 -1.029 0.000 0.934 410 L CA -1.588 52.735 54.840 -0.862 0.000 0.865 410 L CB 1.361 43.172 42.059 -0.413 0.000 1.352 410 L HN 0.744 nan 8.230 nan 0.000 0.410 411 W N 0.964 122.162 121.300 -0.170 0.000 2.998 411 W HA 0.531 5.190 4.660 -0.003 0.000 0.335 411 W C -2.551 173.856 176.519 -0.186 0.000 1.110 411 W CA -1.497 55.728 57.345 -0.200 0.000 1.230 411 W CB 2.476 31.776 29.460 -0.267 0.000 1.405 411 W HN 0.280 nan 8.180 nan 0.000 0.493 412 P HA 0.171 nan 4.420 nan 0.000 0.271 412 P C -0.778 176.418 177.300 -0.174 0.000 1.220 412 P CA 0.090 62.984 63.100 -0.342 0.000 0.768 412 P CB 0.780 32.094 31.700 -0.644 0.000 0.848 413 L N 4.014 125.183 121.223 -0.089 0.000 2.455 413 L HA 0.567 4.905 4.340 -0.003 0.000 0.264 413 L C -0.828 176.230 176.870 0.314 0.000 0.968 413 L CA -0.825 54.110 54.840 0.159 0.000 0.827 413 L CB 2.014 44.127 42.059 0.089 0.000 1.317 413 L HN 0.336 nan 8.230 nan 0.000 0.407 414 R N 1.767 122.456 120.500 0.315 0.000 2.494 414 R HA 0.611 4.950 4.340 -0.003 0.000 0.305 414 R C -0.177 176.178 176.300 0.091 0.000 0.959 414 R CA -0.509 55.705 56.100 0.190 0.000 0.864 414 R CB 1.512 31.869 30.300 0.095 0.000 1.159 414 R HN 0.490 nan 8.270 nan 0.000 0.446 415 S N 1.480 117.211 115.700 0.051 0.000 2.602 415 S HA 0.117 4.585 4.470 -0.003 0.000 0.246 415 S C -0.723 173.886 174.600 0.016 0.000 1.009 415 S CA -0.299 57.914 58.200 0.021 0.000 1.052 415 S CB -0.371 62.828 63.200 -0.001 0.000 0.778 415 S HN 0.628 nan 8.310 nan 0.000 0.455 416 D N 0.562 120.972 120.400 0.016 0.000 2.738 416 D HA 0.286 4.924 4.640 -0.003 0.000 0.218 416 D C -2.528 173.770 176.300 -0.003 0.000 1.345 416 D CA -1.331 52.671 54.000 0.003 0.000 0.943 416 D CB 2.188 42.983 40.800 -0.007 0.000 1.514 416 D HN -0.073 nan 8.370 nan 0.000 0.585 417 P HA 0.020 nan 4.420 nan 0.000 0.234 417 P C 0.999 178.287 177.300 -0.020 0.000 1.167 417 P CA 0.441 63.538 63.100 -0.004 0.000 0.763 417 P CB 0.584 32.286 31.700 0.004 0.000 0.835 418 N N 0.391 119.078 118.700 -0.022 0.000 2.131 418 N HA -0.022 4.716 4.740 -0.003 0.000 0.190 418 N C 0.847 176.329 175.510 -0.047 0.000 1.055 418 N CA 0.724 53.757 53.050 -0.029 0.000 0.853 418 N CB -0.236 38.238 38.487 -0.022 0.000 1.035 418 N HN 0.234 nan 8.380 nan 0.000 0.440 419 R N 1.611 122.078 120.500 -0.056 0.000 2.490 419 R HA 0.231 4.570 4.340 -0.003 0.000 0.280 419 R C 0.407 176.619 176.300 -0.147 0.000 1.077 419 R CA -0.121 55.930 56.100 -0.081 0.000 1.065 419 R CB 0.788 31.048 30.300 -0.066 0.000 1.003 419 R HN 0.183 nan 8.270 nan 0.000 0.470 420 E N 0.952 121.048 120.200 -0.173 0.000 2.435 420 E HA -0.052 4.296 4.350 -0.003 0.000 0.195 420 E C -0.020 176.329 176.600 -0.419 0.000 1.029 420 E CA 0.722 56.941 56.400 -0.301 0.000 0.865 420 E CB 0.382 29.967 29.700 -0.193 0.000 0.833 420 E HN 0.745 nan 8.360 nan 0.000 0.510 421 T N -0.081 114.341 114.554 -0.219 0.000 2.840 421 T HA 0.085 4.433 4.350 -0.003 0.000 0.276 421 T C 0.099 174.745 174.700 -0.090 0.000 0.912 421 T CA -0.445 61.582 62.100 -0.121 0.000 1.116 421 T CB -0.712 68.129 68.868 -0.044 0.000 0.895 421 T HN -0.090 nan 8.240 nan 0.000 0.570 422 Y N 2.169 122.484 120.300 0.024 0.000 2.812 422 Y HA 0.077 4.625 4.550 -0.003 0.000 0.348 422 Y C 1.559 177.471 175.900 0.021 0.000 1.274 422 Y CA 0.184 58.300 58.100 0.026 0.000 1.489 422 Y CB 0.371 38.853 38.460 0.036 0.000 1.348 422 Y HN 0.742 nan 8.280 nan 0.000 0.646 423 D N -0.896 119.617 120.400 0.188 0.000 2.943 423 D HA 0.064 4.703 4.640 -0.003 0.000 0.282 423 D C -0.235 176.114 176.300 0.081 0.000 1.148 423 D CA 0.568 54.627 54.000 0.099 0.000 1.006 423 D CB 0.335 41.167 40.800 0.054 0.000 1.168 423 D HN 0.541 nan 8.370 nan 0.000 0.450 424 T N 0.595 115.187 114.554 0.063 0.000 2.929 424 T HA 0.496 4.845 4.350 -0.003 0.000 0.284 424 T C -0.867 173.844 174.700 0.017 0.000 1.014 424 T CA -0.567 61.543 62.100 0.016 0.000 1.051 424 T CB 1.906 70.749 68.868 -0.042 0.000 1.028 424 T HN 0.091 nan 8.240 nan 0.000 0.485 425 L N 3.395 124.619 121.223 0.001 0.000 2.353 425 L HA 0.541 4.879 4.340 -0.003 0.000 0.270 425 L C -1.015 175.867 176.870 0.019 0.000 1.003 425 L CA -0.541 54.300 54.840 0.001 0.000 0.862 425 L CB 0.865 42.911 42.059 -0.021 0.000 1.221 425 L HN 0.434 nan 8.230 nan 0.000 0.430 426 V N 6.143 126.089 119.914 0.054 0.000 2.406 426 V HA 0.377 4.495 4.120 -0.003 0.000 0.272 426 V C 0.289 176.509 176.094 0.209 0.000 1.043 426 V CA -0.438 61.922 62.300 0.100 0.000 0.915 426 V CB 0.877 32.758 31.823 0.096 0.000 0.988 426 V HN 0.721 nan 8.190 nan 0.000 0.466 427 L N 3.451 124.778 121.223 0.174 0.000 2.341 427 L HA 0.892 5.231 4.340 -0.003 0.000 0.267 427 L C 0.207 177.216 176.870 0.231 0.000 1.022 427 L CA -0.338 54.606 54.840 0.173 0.000 0.844 427 L CB 1.122 43.228 42.059 0.077 0.000 1.436 427 L HN 0.440 nan 8.230 nan 0.000 0.483 428 S N -1.512 114.285 115.700 0.162 0.000 2.768 428 S HA 0.872 5.340 4.470 -0.003 0.000 0.300 428 S C -1.210 173.521 174.600 0.218 0.000 1.122 428 S CA -0.297 57.995 58.200 0.153 0.000 0.995 428 S CB 0.665 63.900 63.200 0.058 0.000 1.195 428 S HN 0.502 nan 8.310 nan 0.000 0.547 429 F N -0.776 119.152 119.950 -0.036 0.000 2.799 429 F HA 0.282 4.807 4.527 -0.003 0.000 0.316 429 F C -1.062 174.723 175.800 -0.025 0.000 1.155 429 F CA -0.901 57.085 58.000 -0.024 0.000 0.916 429 F CB 1.093 40.086 39.000 -0.012 0.000 1.294 429 F HN 0.302 nan 8.300 nan 0.000 0.447 430 V N 3.283 123.285 119.914 0.147 0.000 2.382 430 V HA 0.327 4.446 4.120 -0.003 0.000 0.250 430 V C 0.897 177.074 176.094 0.138 0.000 1.069 430 V CA 1.019 63.382 62.300 0.106 0.000 1.130 430 V CB -0.474 31.392 31.823 0.071 0.000 1.165 430 V HN 1.204 nan 8.190 nan 0.000 0.483 431 G N 3.222 112.071 108.800 0.082 0.000 2.153 431 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.252 431 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.252 431 G C 0.072 175.001 174.900 0.049 0.000 0.994 431 G CA 0.602 45.731 45.100 0.050 0.000 0.698 431 G HN 0.622 nan 8.290 nan 0.000 0.521 432 Q N -1.494 118.359 119.800 0.088 0.000 2.668 432 Q HA 0.739 5.077 4.340 -0.003 0.000 0.298 432 Q C -1.077 174.954 176.000 0.052 0.000 1.071 432 Q CA -0.560 55.263 55.803 0.033 0.000 0.789 432 Q CB 2.116 30.821 28.738 -0.055 0.000 1.497 432 Q HN 0.183 nan 8.270 nan 0.000 0.460 433 T N 1.532 116.086 114.554 -0.001 0.000 3.170 433 T HA 0.363 4.711 4.350 -0.003 0.000 0.315 433 T C -1.166 173.529 174.700 -0.008 0.000 0.967 433 T CA -0.698 61.430 62.100 0.046 0.000 1.024 433 T CB 0.734 69.650 68.868 0.079 0.000 1.018 433 T HN 0.255 nan 8.240 nan 0.000 0.449 434 R N 2.367 122.851 120.500 -0.026 0.000 2.265 434 R HA 0.533 4.871 4.340 -0.003 0.000 0.319 434 R C -0.338 175.964 176.300 0.003 0.000 1.006 434 R CA -0.554 55.503 56.100 -0.071 0.000 0.880 434 R CB 1.466 31.675 30.300 -0.153 0.000 1.077 434 R HN 0.388 nan 8.270 nan 0.000 0.454 435 V N 5.102 125.002 119.914 -0.022 0.000 2.546 435 V HA 0.298 4.416 4.120 -0.003 0.000 0.284 435 V C 0.572 176.642 176.094 -0.040 0.000 1.050 435 V CA -0.488 61.784 62.300 -0.047 0.000 0.981 435 V CB 1.293 33.058 31.823 -0.098 0.000 0.990 435 V HN 0.568 nan 8.190 nan 0.000 0.474 436 L N 5.347 126.549 121.223 -0.035 0.000 2.433 436 L HA 0.404 4.742 4.340 -0.003 0.000 0.256 436 L C -0.030 176.830 176.870 -0.018 0.000 1.063 436 L CA -0.125 54.704 54.840 -0.018 0.000 0.922 436 L CB 1.081 43.140 42.059 -0.000 0.000 1.238 436 L HN 0.557 nan 8.230 nan 0.000 0.466 437 M N 2.904 122.490 119.600 -0.024 0.000 2.248 437 M HA 0.280 4.759 4.480 -0.003 0.000 0.337 437 M C -0.381 175.924 176.300 0.009 0.000 1.121 437 M CA 0.325 55.617 55.300 -0.014 0.000 1.155 437 M CB 0.955 33.542 32.600 -0.021 0.000 1.514 437 M HN 0.371 nan 8.290 nan 0.000 0.452 438 L N 2.173 123.409 121.223 0.021 0.000 2.362 438 L HA 0.338 4.676 4.340 -0.003 0.000 0.275 438 L C 0.396 177.280 176.870 0.025 0.000 0.998 438 L CA -0.335 54.529 54.840 0.039 0.000 0.820 438 L CB 1.606 43.707 42.059 0.070 0.000 1.270 438 L HN 0.684 nan 8.230 nan 0.000 0.415 439 N N 1.275 119.987 118.700 0.021 0.000 2.389 439 N HA 0.243 4.981 4.740 -0.003 0.000 0.237 439 N C 0.867 176.376 175.510 -0.002 0.000 1.148 439 N CA 0.791 53.845 53.050 0.007 0.000 0.854 439 N CB 0.323 38.813 38.487 0.005 0.000 1.115 439 N HN 0.917 nan 8.380 nan 0.000 0.492 440 G N 0.759 109.561 108.800 0.003 0.000 5.005 440 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.251 440 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.251 440 G C 0.672 175.539 174.900 -0.054 0.000 1.536 440 G CA 0.218 45.298 45.100 -0.033 0.000 1.060 440 G HN 0.485 nan 8.290 nan 0.000 0.683 441 E N 1.139 121.302 120.200 -0.061 0.000 2.511 441 E HA 0.280 4.629 4.350 -0.003 0.000 0.209 441 E C 0.731 177.400 176.600 0.115 0.000 0.986 441 E CA -0.110 56.249 56.400 -0.069 0.000 0.974 441 E CB 0.791 30.394 29.700 -0.162 0.000 1.030 441 E HN 0.621 nan 8.360 nan 0.000 0.490 442 E N 0.960 121.206 120.200 0.077 0.000 2.312 442 E HA 0.284 4.633 4.350 -0.003 0.000 0.259 442 E C -0.678 175.972 176.600 0.084 0.000 1.122 442 E CA -0.388 56.057 56.400 0.074 0.000 0.922 442 E CB 1.900 31.623 29.700 0.038 0.000 1.109 442 E HN -0.162 nan 8.360 nan 0.000 0.442 443 V N 1.723 121.672 119.914 0.058 0.000 2.357 443 V HA 0.283 4.402 4.120 -0.003 0.000 0.284 443 V C -0.354 175.755 176.094 0.024 0.000 1.018 443 V CA -0.330 61.995 62.300 0.041 0.000 0.841 443 V CB 1.146 32.989 31.823 0.033 0.000 0.991 443 V HN 0.595 nan 8.190 nan 0.000 0.437 444 E N 3.710 123.920 120.200 0.017 0.000 2.263 444 E HA 0.574 4.922 4.350 -0.003 0.000 0.268 444 E C -1.210 175.387 176.600 -0.004 0.000 0.884 444 E CA -0.647 55.757 56.400 0.006 0.000 0.766 444 E CB 2.051 31.754 29.700 0.006 0.000 1.196 444 E HN 0.904 nan 8.360 nan 0.000 0.416 445 E N 2.294 122.487 120.200 -0.011 0.000 2.218 445 E HA 0.504 4.852 4.350 -0.003 0.000 0.263 445 E C -0.570 176.013 176.600 -0.028 0.000 0.879 445 E CA -0.571 55.815 56.400 -0.023 0.000 0.762 445 E CB 1.857 31.540 29.700 -0.029 0.000 1.166 445 E HN 0.461 nan 8.360 nan 0.000 0.415 446 T N 0.608 115.142 114.554 -0.032 0.000 2.560 446 T HA 0.583 4.931 4.350 -0.003 0.000 0.208 446 T C -0.549 174.131 174.700 -0.033 0.000 0.757 446 T CA -0.296 61.786 62.100 -0.030 0.000 1.366 446 T CB 0.226 69.080 68.868 -0.024 0.000 1.689 446 T HN 0.691 nan 8.240 nan 0.000 0.447 447 E N -0.361 119.822 120.200 -0.029 0.000 2.413 447 E HA 0.647 4.996 4.350 -0.003 0.000 0.277 447 E C -2.026 174.551 176.600 -0.039 0.000 0.958 447 E CA -1.077 55.307 56.400 -0.026 0.000 0.779 447 E CB 1.382 31.087 29.700 0.008 0.000 1.278 447 E HN 0.340 nan 8.360 nan 0.000 0.456 448 L N 1.902 123.087 121.223 -0.063 0.000 2.317 448 L HA 0.370 4.708 4.340 -0.003 0.000 0.281 448 L C 0.022 176.925 176.870 0.056 0.000 1.024 448 L CA -0.722 54.080 54.840 -0.063 0.000 0.810 448 L CB 1.689 43.607 42.059 -0.236 0.000 1.240 448 L HN 0.735 nan 8.230 nan 0.000 0.427 449 M N 4.241 123.874 119.600 0.054 0.000 3.139 449 M HA 0.207 4.686 4.480 -0.003 0.000 0.266 449 M C 0.808 177.183 176.300 0.124 0.000 1.598 449 M CA 0.493 55.839 55.300 0.076 0.000 1.645 449 M CB -1.341 31.288 32.600 0.047 0.000 1.395 449 M HN 0.867 nan 8.290 nan 0.000 0.504 450 G N 1.900 110.804 108.800 0.173 0.000 2.731 450 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.219 450 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.219 450 G C -0.765 174.279 174.900 0.240 0.000 0.989 450 G CA -0.744 44.465 45.100 0.182 0.000 0.871 450 G HN 0.457 nan 8.290 nan 0.000 0.591 451 F N 1.693 121.643 119.950 0.000 0.000 2.507 451 F HA 0.568 5.094 4.527 -0.003 0.000 0.328 451 F C 0.687 176.481 175.800 -0.010 0.000 1.136 451 F CA -1.277 56.720 58.000 -0.005 0.000 0.930 451 F CB 2.045 41.042 39.000 -0.005 0.000 1.166 451 F HN 0.205 nan 8.300 nan 0.000 0.436 452 V N 0.890 120.824 119.914 0.034 0.000 2.637 452 V HA 0.234 4.352 4.120 -0.003 0.000 0.296 452 V C 0.400 176.523 176.094 0.047 0.000 1.046 452 V CA -0.376 61.938 62.300 0.023 0.000 1.066 452 V CB 1.026 32.834 31.823 -0.023 0.000 0.968 452 V HN 0.804 nan 8.190 nan 0.000 0.483 453 D N 1.870 122.289 120.400 0.031 0.000 2.462 453 D HA 0.043 4.681 4.640 -0.003 0.000 0.221 453 D C 0.337 176.626 176.300 -0.017 0.000 1.173 453 D CA 0.449 54.457 54.000 0.013 0.000 0.831 453 D CB 0.286 41.088 40.800 0.003 0.000 1.001 453 D HN 0.874 nan 8.370 nan 0.000 0.499 454 D N -0.181 120.212 120.400 -0.012 0.000 2.712 454 D HA 0.010 4.649 4.640 -0.003 0.000 0.300 454 D C -0.403 175.890 176.300 -0.012 0.000 1.521 454 D CA -0.193 53.798 54.000 -0.014 0.000 0.790 454 D CB 0.315 41.109 40.800 -0.011 0.000 1.155 454 D HN -0.101 nan 8.370 nan 0.000 0.456 455 Q N 1.074 120.861 119.800 -0.022 0.000 2.305 455 Q HA 0.192 4.530 4.340 -0.003 0.000 0.271 455 Q C -0.675 175.276 176.000 -0.082 0.000 1.046 455 Q CA -0.423 55.353 55.803 -0.045 0.000 0.798 455 Q CB 2.737 31.447 28.738 -0.048 0.000 1.286 455 Q HN 0.282 nan 8.270 nan 0.000 0.435 456 Q N 2.115 121.835 119.800 -0.133 0.000 2.337 456 Q HA 0.075 4.414 4.340 -0.003 0.000 0.255 456 Q C -0.765 174.980 176.000 -0.426 0.000 1.205 456 Q CA 0.360 56.032 55.803 -0.219 0.000 0.902 456 Q CB 0.249 28.842 28.738 -0.241 0.000 1.433 456 Q HN 0.440 nan 8.270 nan 0.000 0.471 457 T N 5.162 119.578 114.554 -0.230 0.000 2.853 457 T HA 0.032 4.381 4.350 -0.003 0.000 0.298 457 T C 0.407 174.971 174.700 -0.228 0.000 0.978 457 T CA -0.057 61.913 62.100 -0.217 0.000 1.152 457 T CB 0.183 69.002 68.868 -0.082 0.000 0.914 457 T HN 0.433 nan 8.240 nan 0.000 0.539 458 F N 1.356 121.297 119.950 -0.015 0.000 2.569 458 F HA 0.433 4.958 4.527 -0.003 0.000 0.295 458 F C 0.482 176.202 175.800 -0.133 0.000 1.115 458 F CA -0.228 57.804 58.000 0.054 0.000 1.450 458 F CB 0.142 39.196 39.000 0.091 0.000 1.107 458 F HN 0.470 nan 8.300 nan 0.000 0.563 459 F N -2.795 116.841 119.950 -0.523 0.000 2.668 459 F HA 0.397 4.922 4.527 -0.003 0.000 0.309 459 F C -0.102 175.106 175.800 -0.987 0.000 1.117 459 F CA -0.997 56.380 58.000 -1.038 0.000 0.951 459 F CB 1.577 40.301 39.000 -0.460 0.000 1.323 459 F HN -0.304 nan 8.300 nan 0.000 0.451 460 C N 1.309 119.964 119.300 -1.076 0.000 4.403 460 C HA 0.335 4.793 4.460 -0.003 0.000 0.408 460 C C 0.965 175.935 174.990 -0.033 0.000 1.714 460 C CA -0.004 58.810 59.018 -0.340 0.000 2.002 460 C CB -0.094 27.540 27.740 -0.177 0.000 3.129 460 C HN 1.096 nan 8.230 nan 0.000 0.662 461 G N 1.511 110.298 108.800 -0.022 0.000 2.583 461 G HA2 0.017 3.975 3.960 -0.003 0.000 0.230 461 G HA3 0.017 3.975 3.960 -0.003 0.000 0.230 461 G C -0.319 174.734 174.900 0.255 0.000 1.249 461 G CA 0.254 45.516 45.100 0.271 0.000 0.857 461 G HN 0.746 nan 8.290 nan 0.000 0.569 462 N N -0.028 118.809 118.700 0.229 0.000 2.406 462 N HA 0.265 5.004 4.740 -0.003 0.000 0.274 462 N C 0.232 175.842 175.510 0.166 0.000 1.249 462 N CA -0.416 52.752 53.050 0.196 0.000 0.951 462 N CB 0.977 39.593 38.487 0.216 0.000 1.241 462 N HN 0.499 nan 8.380 nan 0.000 0.485 463 V N 0.617 120.616 119.914 0.143 0.000 2.439 463 V HA 0.760 4.879 4.120 -0.003 0.000 0.282 463 V C 0.716 176.896 176.094 0.143 0.000 1.039 463 V CA -1.059 61.316 62.300 0.126 0.000 0.913 463 V CB 0.906 32.779 31.823 0.084 0.000 0.983 463 V HN 0.564 nan 8.190 nan 0.000 0.460 464 A N 3.309 126.230 122.820 0.169 0.000 2.261 464 A HA 0.536 4.854 4.320 -0.003 0.000 0.275 464 A C 0.823 178.553 177.584 0.243 0.000 1.246 464 A CA 0.593 52.700 52.037 0.117 0.000 0.810 464 A CB -0.656 18.327 19.000 -0.029 0.000 1.168 464 A HN 1.826 nan 8.150 nan 0.000 0.506 465 H N -2.112 116.978 119.070 0.034 0.000 2.969 465 H HA -0.127 4.427 4.556 -0.003 0.000 0.269 465 H C -0.067 175.282 175.328 0.036 0.000 1.230 465 H CA 0.887 56.955 56.048 0.035 0.000 1.123 465 H CB -2.563 27.219 29.762 0.033 0.000 1.289 465 H HN 0.714 nan 8.280 nan 0.000 0.364 466 Q N -1.339 118.521 119.800 0.101 0.000 2.457 466 Q HA -0.258 4.080 4.340 -0.003 0.000 0.333 466 Q C -0.492 175.563 176.000 0.092 0.000 1.448 466 Q CA 1.166 57.017 55.803 0.080 0.000 0.891 466 Q CB -0.791 27.984 28.738 0.061 0.000 1.142 466 Q HN 0.738 nan 8.270 nan 0.000 0.375 467 Q N 0.131 119.992 119.800 0.101 0.000 2.377 467 Q HA 0.703 5.041 4.340 -0.003 0.000 0.279 467 Q C -1.260 174.810 176.000 0.117 0.000 1.049 467 Q CA -0.728 55.135 55.803 0.100 0.000 0.825 467 Q CB 1.844 30.632 28.738 0.085 0.000 1.401 467 Q HN 0.327 nan 8.270 nan 0.000 0.404 468 L N 2.951 124.260 121.223 0.142 0.000 2.342 468 L HA 0.593 4.932 4.340 -0.003 0.000 0.276 468 L C -0.474 176.519 176.870 0.204 0.000 0.997 468 L CA -0.597 54.370 54.840 0.212 0.000 0.838 468 L CB 1.249 43.476 42.059 0.280 0.000 1.224 468 L HN 0.564 nan 8.230 nan 0.000 0.416 469 I N 2.320 122.970 120.570 0.134 0.000 2.612 469 I HA 0.308 4.477 4.170 -0.003 0.000 0.295 469 I C -0.405 175.635 176.117 -0.129 0.000 1.011 469 I CA 0.026 61.325 61.300 -0.002 0.000 1.326 469 I CB 1.565 39.560 38.000 -0.007 0.000 1.427 469 I HN 0.846 nan 8.210 nan 0.000 0.537 470 Q N 7.479 127.096 119.800 -0.306 0.000 3.484 470 Q HA 0.375 4.714 4.340 -0.003 0.000 0.255 470 Q C -1.399 174.450 176.000 -0.251 0.000 0.909 470 Q CA -0.513 55.016 55.803 -0.457 0.000 0.774 470 Q CB 0.734 28.843 28.738 -1.049 0.000 1.431 470 Q HN 0.739 nan 8.270 nan 0.000 0.423 471 I N 1.749 122.238 120.570 -0.134 0.000 2.587 471 I HA 0.049 4.218 4.170 -0.003 0.000 0.284 471 I C 0.532 176.670 176.117 0.034 0.000 1.134 471 I CA 0.864 62.142 61.300 -0.037 0.000 1.410 471 I CB 0.912 38.915 38.000 0.006 0.000 1.392 471 I HN 0.345 nan 8.210 nan 0.000 0.545 472 T N 3.068 117.661 114.554 0.065 0.000 2.864 472 T HA 0.235 4.583 4.350 -0.003 0.000 0.289 472 T C 1.153 176.000 174.700 0.245 0.000 1.082 472 T CA -0.396 61.733 62.100 0.049 0.000 1.009 472 T CB 1.789 70.616 68.868 -0.067 0.000 1.234 472 T HN 0.623 nan 8.240 nan 0.000 0.526 473 S N 0.783 116.580 115.700 0.163 0.000 2.393 473 S HA -0.205 4.263 4.470 -0.003 0.000 0.235 473 S C 1.736 176.466 174.600 0.217 0.000 1.061 473 S CA 1.947 60.347 58.200 0.333 0.000 1.129 473 S CB -0.793 62.496 63.200 0.148 0.000 1.011 473 S HN 0.816 nan 8.310 nan 0.000 0.436 474 A N 1.491 124.383 122.820 0.119 0.000 3.470 474 A HA 0.377 4.696 4.320 -0.003 0.000 0.174 474 A C 1.083 178.730 177.584 0.105 0.000 1.652 474 A CA 0.454 52.547 52.037 0.093 0.000 0.777 474 A CB -1.041 17.989 19.000 0.051 0.000 1.128 474 A HN 0.605 nan 8.150 nan 0.000 0.452 475 S N -0.308 115.437 115.700 0.075 0.000 2.528 475 S HA 0.360 4.828 4.470 -0.003 0.000 0.277 475 S C -0.104 174.529 174.600 0.055 0.000 1.297 475 S CA -0.121 58.137 58.200 0.096 0.000 1.052 475 S CB 0.856 64.091 63.200 0.060 0.000 0.917 475 S HN 1.527 nan 8.310 nan 0.000 0.492 476 V N 5.317 125.272 119.914 0.067 0.000 2.403 476 V HA 0.263 4.381 4.120 -0.003 0.000 0.265 476 V C 0.543 176.622 176.094 -0.024 0.000 1.034 476 V CA -0.173 62.106 62.300 -0.034 0.000 1.036 476 V CB -0.643 31.087 31.823 -0.155 0.000 1.032 476 V HN 0.944 nan 8.190 nan 0.000 0.478 477 R N 4.436 124.882 120.500 -0.090 0.000 2.527 477 R HA 0.739 5.078 4.340 -0.003 0.000 0.236 477 R C -1.194 175.050 176.300 -0.094 0.000 1.257 477 R CA -0.827 55.215 56.100 -0.097 0.000 1.088 477 R CB 0.809 31.006 30.300 -0.171 0.000 1.396 477 R HN 0.623 nan 8.270 nan 0.000 0.571 478 L N -0.429 120.751 121.223 -0.072 0.000 2.556 478 L HA 0.416 4.754 4.340 -0.003 0.000 0.257 478 L C -1.569 175.314 176.870 0.022 0.000 0.955 478 L CA -0.520 54.307 54.840 -0.023 0.000 0.850 478 L CB 2.498 44.558 42.059 0.001 0.000 1.398 478 L HN 0.280 nan 8.230 nan 0.000 0.412 479 V N 1.005 120.966 119.914 0.079 0.000 3.049 479 V HA 0.759 4.878 4.120 -0.003 0.000 0.309 479 V C -0.414 175.742 176.094 0.103 0.000 1.148 479 V CA -0.620 61.755 62.300 0.125 0.000 0.990 479 V CB 2.164 34.134 31.823 0.245 0.000 1.039 479 V HN 0.753 nan 8.190 nan 0.000 0.430 480 S N 0.371 116.123 115.700 0.086 0.000 2.739 480 S HA 0.462 4.930 4.470 -0.003 0.000 0.306 480 S C 0.163 174.803 174.600 0.066 0.000 1.115 480 S CA -0.598 57.646 58.200 0.072 0.000 0.985 480 S CB 1.858 65.093 63.200 0.058 0.000 1.133 480 S HN 0.770 nan 8.310 nan 0.000 0.541 481 Q N 0.266 120.100 119.800 0.056 0.000 2.317 481 Q HA 0.192 4.530 4.340 -0.003 0.000 0.220 481 Q C 0.669 176.689 176.000 0.034 0.000 0.873 481 Q CA 0.372 56.202 55.803 0.044 0.000 0.936 481 Q CB 0.328 29.092 28.738 0.043 0.000 1.105 481 Q HN 0.533 nan 8.270 nan 0.000 0.520 482 E N 0.598 120.820 120.200 0.036 0.000 2.052 482 E HA 0.017 4.365 4.350 -0.003 0.000 0.192 482 E C -0.471 176.145 176.600 0.028 0.000 0.958 482 E CA 0.703 57.121 56.400 0.029 0.000 0.835 482 E CB -1.141 28.576 29.700 0.029 0.000 0.811 482 E HN 0.252 nan 8.360 nan 0.000 0.462 483 P HA 0.027 nan 4.420 nan 0.000 0.217 483 P C -0.338 176.982 177.300 0.033 0.000 1.154 483 P CA 0.632 63.750 63.100 0.029 0.000 0.841 483 P CB 0.234 31.952 31.700 0.030 0.000 0.790 484 K N -1.070 119.355 120.400 0.043 0.000 4.278 484 K HA 0.041 4.359 4.320 -0.003 0.000 0.306 484 K C -0.698 175.935 176.600 0.055 0.000 1.041 484 K CA 0.477 56.795 56.287 0.052 0.000 0.957 484 K CB -1.570 30.954 32.500 0.040 0.000 1.522 484 K HN 0.377 nan 8.250 nan 0.000 0.437 485 A N 1.444 124.299 122.820 0.059 0.000 2.806 485 A HA 0.647 4.966 4.320 -0.003 0.000 0.310 485 A C -1.349 176.266 177.584 0.051 0.000 1.169 485 A CA -0.459 51.609 52.037 0.053 0.000 0.621 485 A CB 0.283 19.306 19.000 0.037 0.000 1.412 485 A HN 0.844 nan 8.150 nan 0.000 0.576 486 L N 1.631 122.876 121.223 0.037 0.000 2.617 486 L HA 0.320 4.658 4.340 -0.003 0.000 0.282 486 L C 0.593 177.479 176.870 0.026 0.000 1.174 486 L CA 0.566 55.422 54.840 0.026 0.000 1.016 486 L CB -0.296 41.774 42.059 0.017 0.000 1.337 486 L HN 0.429 nan 8.230 nan 0.000 0.460 487 V N 2.662 122.594 119.914 0.030 0.000 2.407 487 V HA 0.092 4.211 4.120 -0.003 0.000 0.245 487 V C 1.218 177.327 176.094 0.025 0.000 1.041 487 V CA 1.305 63.623 62.300 0.030 0.000 1.040 487 V CB -0.353 31.493 31.823 0.038 0.000 0.671 487 V HN 0.869 nan 8.190 nan 0.000 0.455 488 S N -1.801 113.912 115.700 0.022 0.000 2.671 488 S HA 0.498 4.966 4.470 -0.003 0.000 0.270 488 S C -1.786 172.829 174.600 0.025 0.000 1.166 488 S CA -0.163 58.051 58.200 0.023 0.000 0.868 488 S CB 1.579 64.798 63.200 0.030 0.000 1.190 488 S HN 0.684 nan 8.310 nan 0.000 0.494 489 E N -0.606 119.621 120.200 0.045 0.000 2.357 489 E HA 0.480 4.828 4.350 -0.003 0.000 0.264 489 E C -1.805 174.891 176.600 0.160 0.000 1.164 489 E CA -0.897 55.545 56.400 0.070 0.000 0.893 489 E CB 0.602 30.322 29.700 0.035 0.000 1.619 489 E HN 0.498 nan 8.360 nan 0.000 0.464 490 W N 0.393 121.652 121.300 -0.070 0.000 3.055 490 W HA 0.721 5.379 4.660 -0.003 0.000 0.340 490 W C -1.434 175.040 176.519 -0.075 0.000 1.180 490 W CA -0.423 56.875 57.345 -0.080 0.000 1.077 490 W CB 2.189 31.586 29.460 -0.104 0.000 1.479 490 W HN 0.561 nan 8.180 nan 0.000 0.593 491 K N 1.954 122.191 120.400 -0.270 0.000 2.560 491 K HA 0.062 4.380 4.320 -0.003 0.000 0.276 491 K C -1.101 175.167 176.600 -0.554 0.000 1.025 491 K CA -0.460 55.687 56.287 -0.235 0.000 0.974 491 K CB 1.130 33.507 32.500 -0.205 0.000 1.347 491 K HN 0.283 nan 8.250 nan 0.000 0.447 492 E N 4.826 124.881 120.200 -0.242 0.000 2.585 492 E HA 0.003 4.351 4.350 -0.003 0.000 0.252 492 E C -1.913 174.540 176.600 -0.246 0.000 0.981 492 E CA -1.080 55.181 56.400 -0.233 0.000 0.943 492 E CB 0.655 30.379 29.700 0.040 0.000 0.923 492 E HN 0.244 nan 8.360 nan 0.000 0.486 493 P HA -0.041 nan 4.420 nan 0.000 0.272 493 P C -0.296 176.932 177.300 -0.120 0.000 1.542 493 P CA 0.789 63.759 63.100 -0.217 0.000 0.846 493 P CB -0.061 31.519 31.700 -0.199 0.000 1.782 494 Q N -1.783 117.961 119.800 -0.094 0.000 1.469 494 Q HA 0.222 4.560 4.340 -0.003 0.000 0.142 494 Q C 0.311 176.288 176.000 -0.037 0.000 0.735 494 Q CA 0.382 56.153 55.803 -0.054 0.000 0.682 494 Q CB 0.185 28.904 28.738 -0.032 0.000 1.162 494 Q HN 0.151 nan 8.270 nan 0.000 0.341 495 A N 1.217 124.010 122.820 -0.044 0.000 2.930 495 A HA -0.222 4.097 4.320 -0.003 0.000 0.273 495 A C -0.150 177.439 177.584 0.007 0.000 1.435 495 A CA 1.270 53.295 52.037 -0.020 0.000 0.780 495 A CB -1.572 17.417 19.000 -0.018 0.000 1.034 495 A HN 0.191 nan 8.150 nan 0.000 0.562 496 K N 0.513 120.924 120.400 0.018 0.000 2.185 496 K HA 0.251 4.569 4.320 -0.003 0.000 0.271 496 K C 0.202 176.841 176.600 0.065 0.000 1.013 496 K CA -0.518 55.795 56.287 0.042 0.000 0.943 496 K CB 0.334 32.866 32.500 0.054 0.000 0.998 496 K HN 0.583 nan 8.250 nan 0.000 0.468 497 N N 3.119 121.862 118.700 0.072 0.000 2.458 497 N HA 0.097 4.836 4.740 -0.003 0.000 0.270 497 N C -0.086 175.482 175.510 0.096 0.000 1.102 497 N CA -0.107 53.001 53.050 0.098 0.000 0.967 497 N CB 0.723 39.274 38.487 0.107 0.000 1.078 497 N HN 0.331 nan 8.380 nan 0.000 0.471 498 I N 1.570 122.203 120.570 0.104 0.000 2.648 498 I HA -0.121 4.047 4.170 -0.003 0.000 0.284 498 I C 1.767 177.858 176.117 -0.043 0.000 1.153 498 I CA 0.127 61.447 61.300 0.032 0.000 1.426 498 I CB 0.686 38.690 38.000 0.006 0.000 1.381 498 I HN 0.612 nan 8.210 nan 0.000 0.571 499 S N 4.870 120.500 115.700 -0.115 0.000 2.541 499 S HA 0.177 4.646 4.470 -0.003 0.000 0.219 499 S C 0.488 174.853 174.600 -0.391 0.000 1.025 499 S CA -0.174 57.919 58.200 -0.178 0.000 0.917 499 S CB 0.109 63.296 63.200 -0.021 0.000 0.859 499 S HN 0.369 nan 8.310 nan 0.000 0.584 500 V N 2.004 121.787 119.914 -0.218 0.000 2.630 500 V HA 0.869 4.988 4.120 -0.003 0.000 0.305 500 V C 0.133 176.116 176.094 -0.184 0.000 1.046 500 V CA -0.226 61.966 62.300 -0.180 0.000 0.934 500 V CB 1.136 32.949 31.823 -0.016 0.000 1.003 500 V HN 0.821 nan 8.190 nan 0.000 0.451 501 A N 2.783 125.530 122.820 -0.123 0.000 2.532 501 A HA 1.038 5.356 4.320 -0.003 0.000 0.290 501 A C -0.540 177.040 177.584 -0.007 0.000 1.143 501 A CA -0.170 51.821 52.037 -0.077 0.000 0.728 501 A CB 2.211 21.192 19.000 -0.032 0.000 1.317 501 A HN 1.463 nan 8.150 nan 0.000 0.414 502 S N -1.407 114.202 115.700 -0.153 0.000 2.580 502 S HA 0.631 5.099 4.470 -0.003 0.000 0.281 502 S C -1.038 173.220 174.600 -0.570 0.000 1.129 502 S CA -0.225 57.840 58.200 -0.225 0.000 0.862 502 S CB 0.691 63.868 63.200 -0.038 0.000 1.090 502 S HN 2.520 nan 8.310 nan 0.000 0.451 503 C N 2.680 121.481 119.300 -0.832 0.000 3.247 503 C HA 0.737 5.195 4.460 -0.003 0.000 0.375 503 C C 0.112 174.940 174.990 -0.271 0.000 1.102 503 C CA -0.006 58.580 59.018 -0.720 0.000 1.227 503 C CB 0.468 27.551 27.740 -1.095 0.000 1.586 503 C HN 1.239 nan 8.230 nan 0.000 0.544 504 N N 2.538 121.190 118.700 -0.080 0.000 2.804 504 N HA 0.335 5.073 4.740 -0.003 0.000 0.233 504 N C 0.890 176.452 175.510 0.087 0.000 1.020 504 N CA 1.175 54.266 53.050 0.067 0.000 1.164 504 N CB 0.126 38.648 38.487 0.060 0.000 1.571 504 N HN 0.699 nan 8.380 nan 0.000 0.551 505 S N -2.343 113.386 115.700 0.049 0.000 2.660 505 S HA 0.243 4.711 4.470 -0.003 0.000 0.262 505 S C 0.774 175.391 174.600 0.028 0.000 1.006 505 S CA 0.266 58.506 58.200 0.068 0.000 1.174 505 S CB -0.708 62.553 63.200 0.101 0.000 0.939 505 S HN 0.236 nan 8.310 nan 0.000 0.438 506 S N 1.083 116.789 115.700 0.010 0.000 2.460 506 S HA 0.372 4.840 4.470 -0.003 0.000 0.226 506 S C 0.461 175.025 174.600 -0.059 0.000 1.057 506 S CA -0.035 58.140 58.200 -0.040 0.000 0.948 506 S CB 0.106 63.314 63.200 0.013 0.000 0.822 506 S HN 0.533 nan 8.310 nan 0.000 0.512 507 Q N 0.761 120.556 119.800 -0.009 0.000 2.266 507 Q HA 0.639 4.977 4.340 -0.003 0.000 0.261 507 Q C -1.462 174.507 176.000 -0.051 0.000 0.985 507 Q CA -0.406 55.426 55.803 0.047 0.000 0.873 507 Q CB 2.291 31.079 28.738 0.084 0.000 1.306 507 Q HN 0.025 nan 8.270 nan 0.000 0.447 508 V N 2.597 122.492 119.914 -0.032 0.000 2.439 508 V HA 0.238 4.356 4.120 -0.003 0.000 0.277 508 V C -0.931 175.129 176.094 -0.057 0.000 1.008 508 V CA -0.662 61.551 62.300 -0.145 0.000 0.846 508 V CB 1.588 33.263 31.823 -0.248 0.000 1.031 508 V HN 0.504 nan 8.190 nan 0.000 0.441 509 V N 6.071 125.968 119.914 -0.028 0.000 2.370 509 V HA 0.638 4.756 4.120 -0.003 0.000 0.279 509 V C 0.185 176.269 176.094 -0.017 0.000 1.029 509 V CA -0.298 62.037 62.300 0.058 0.000 0.870 509 V CB 1.683 33.560 31.823 0.089 0.000 0.984 509 V HN 0.684 nan 8.190 nan 0.000 0.451 510 V N 2.153 122.063 119.914 -0.007 0.000 3.181 510 V HA 1.095 5.214 4.120 -0.003 0.000 0.314 510 V C -0.181 175.960 176.094 0.078 0.000 1.173 510 V CA -0.993 61.275 62.300 -0.053 0.000 1.052 510 V CB 1.935 33.625 31.823 -0.223 0.000 1.123 510 V HN 1.070 nan 8.190 nan 0.000 0.454 511 A N -0.212 122.634 122.820 0.044 0.000 2.488 511 A HA 0.749 5.067 4.320 -0.003 0.000 0.298 511 A C -0.745 176.891 177.584 0.088 0.000 1.044 511 A CA -0.197 51.913 52.037 0.121 0.000 0.693 511 A CB 2.011 21.068 19.000 0.095 0.000 1.272 511 A HN 1.496 nan 8.150 nan 0.000 0.402 512 V N 1.273 121.284 119.914 0.162 0.000 2.982 512 V HA 0.540 4.659 4.120 -0.003 0.000 0.368 512 V C 0.927 177.081 176.094 0.099 0.000 1.350 512 V CA 0.274 62.650 62.300 0.126 0.000 1.251 512 V CB -0.616 31.317 31.823 0.184 0.000 1.284 512 V HN 2.245 nan 8.190 nan 0.000 0.533 513 G N 2.003 110.851 108.800 0.080 0.000 3.399 513 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.685 513 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.685 513 G C 0.438 175.373 174.900 0.059 0.000 0.952 513 G CA -0.048 45.082 45.100 0.050 0.000 0.793 513 G HN 0.473 nan 8.290 nan 0.000 0.492 514 R N -1.186 119.348 120.500 0.056 0.000 4.108 514 R HA -0.302 4.037 4.340 -0.003 0.000 0.432 514 R C 1.410 177.712 176.300 0.004 0.000 0.892 514 R CA 2.448 58.568 56.100 0.033 0.000 1.711 514 R CB -1.893 28.412 30.300 0.007 0.000 2.361 514 R HN 2.289 nan 8.270 nan 0.000 0.497 515 A N 1.948 124.800 122.820 0.053 0.000 2.371 515 A HA 0.621 4.940 4.320 -0.003 0.000 0.257 515 A C 0.252 177.827 177.584 -0.015 0.000 1.089 515 A CA -0.161 51.901 52.037 0.042 0.000 0.794 515 A CB 0.538 19.739 19.000 0.335 0.000 1.029 515 A HN 0.186 nan 8.150 nan 0.000 0.488 516 L N 0.984 122.015 121.223 -0.321 0.000 2.354 516 L HA 0.653 4.991 4.340 -0.003 0.000 0.269 516 L C -1.008 175.607 176.870 -0.425 0.000 1.005 516 L CA -0.467 54.217 54.840 -0.259 0.000 0.819 516 L CB 1.900 43.752 42.059 -0.345 0.000 1.311 516 L HN 0.868 nan 8.230 nan 0.000 0.423 517 Y N 0.606 120.912 120.300 0.010 0.000 2.889 517 Y HA 0.506 5.055 4.550 -0.003 0.000 0.317 517 Y C -1.232 174.933 175.900 0.442 0.000 1.414 517 Y CA -0.715 57.475 58.100 0.151 0.000 1.091 517 Y CB 2.125 40.640 38.460 0.093 0.000 1.358 517 Y HN 0.407 nan 8.280 nan 0.000 0.487 518 Y N 1.765 122.306 120.300 0.402 0.000 2.246 518 Y HA 0.468 5.016 4.550 -0.003 0.000 0.315 518 Y C -2.187 173.795 175.900 0.136 0.000 1.251 518 Y CA -0.719 57.530 58.100 0.248 0.000 1.212 518 Y CB 0.203 38.846 38.460 0.305 0.000 1.277 518 Y HN 0.458 nan 8.280 nan 0.000 0.398 519 L N 4.498 125.655 121.223 -0.110 0.000 2.491 519 L HA 0.657 4.996 4.340 -0.003 0.000 0.264 519 L C -0.600 176.061 176.870 -0.347 0.000 1.053 519 L CA -1.185 53.492 54.840 -0.272 0.000 0.858 519 L CB 1.884 43.767 42.059 -0.293 0.000 1.519 519 L HN 0.667 nan 8.230 nan 0.000 0.508 520 Q N -0.163 119.486 119.800 -0.251 0.000 2.534 520 Q HA 0.532 4.871 4.340 -0.003 0.000 0.290 520 Q C -1.465 174.384 176.000 -0.252 0.000 0.991 520 Q CA -0.571 55.069 55.803 -0.271 0.000 0.783 520 Q CB 3.183 31.772 28.738 -0.248 0.000 1.470 520 Q HN 0.435 nan 8.270 nan 0.000 0.406 521 I N 1.904 122.256 120.570 -0.363 0.000 2.833 521 I HA 0.277 4.446 4.170 -0.003 0.000 0.286 521 I C -0.727 175.140 176.117 -0.417 0.000 1.287 521 I CA -0.512 60.619 61.300 -0.281 0.000 1.046 521 I CB 0.229 38.121 38.000 -0.180 0.000 1.612 521 I HN 0.385 nan 8.210 nan 0.000 0.585 522 H N 3.741 122.708 119.070 -0.171 0.000 2.525 522 H HA 0.230 4.785 4.556 -0.003 0.000 0.339 522 H C -2.115 173.149 175.328 -0.106 0.000 1.109 522 H CA -1.926 54.008 56.048 -0.189 0.000 1.352 522 H CB 0.864 30.558 29.762 -0.113 0.000 1.461 522 H HN 0.089 nan 8.280 nan 0.000 0.533 523 P HA -0.199 nan 4.420 nan 0.000 0.224 523 P C -0.044 177.290 177.300 0.056 0.000 1.015 523 P CA 1.058 64.204 63.100 0.077 0.000 0.910 523 P CB -0.324 31.436 31.700 0.100 0.000 0.849 524 Q N -1.025 118.802 119.800 0.046 0.000 2.506 524 Q HA -0.248 4.091 4.340 -0.003 0.000 0.268 524 Q C -0.051 175.968 176.000 0.032 0.000 1.002 524 Q CA 1.305 57.133 55.803 0.040 0.000 1.052 524 Q CB -1.506 27.259 28.738 0.044 0.000 1.383 524 Q HN 0.718 nan 8.270 nan 0.000 0.537 525 E N -0.889 119.327 120.200 0.026 0.000 2.378 525 E HA 0.579 4.928 4.350 -0.003 0.000 0.283 525 E C -1.198 175.419 176.600 0.027 0.000 0.979 525 E CA -0.823 55.595 56.400 0.030 0.000 0.795 525 E CB 0.839 30.560 29.700 0.035 0.000 1.221 525 E HN 0.112 nan 8.360 nan 0.000 0.428 526 L N 2.414 123.664 121.223 0.045 0.000 2.261 526 L HA 0.485 4.823 4.340 -0.003 0.000 0.289 526 L C 0.122 177.053 176.870 0.102 0.000 1.059 526 L CA -0.548 54.329 54.840 0.060 0.000 0.816 526 L CB 0.841 42.970 42.059 0.116 0.000 1.191 526 L HN 0.511 nan 8.230 nan 0.000 0.431 527 R N 4.006 124.543 120.500 0.061 0.000 2.265 527 R HA 0.262 4.600 4.340 -0.003 0.000 0.328 527 R C -0.413 175.926 176.300 0.066 0.000 0.969 527 R CA -0.487 55.658 56.100 0.075 0.000 0.832 527 R CB 1.347 31.686 30.300 0.066 0.000 1.139 527 R HN 0.592 nan 8.270 nan 0.000 0.457 528 Q N 3.713 123.617 119.800 0.172 0.000 2.312 528 Q HA 0.202 4.540 4.340 -0.003 0.000 0.236 528 Q C -0.097 175.966 176.000 0.105 0.000 0.965 528 Q CA -0.037 55.900 55.803 0.223 0.000 0.894 528 Q CB 1.106 30.108 28.738 0.441 0.000 1.225 528 Q HN 0.749 nan 8.270 nan 0.000 0.478 529 I N -0.438 120.193 120.570 0.101 0.000 3.694 529 I HA 0.130 4.298 4.170 -0.003 0.000 0.259 529 I C 0.111 176.338 176.117 0.183 0.000 1.070 529 I CA -0.278 61.073 61.300 0.085 0.000 1.833 529 I CB 0.590 38.562 38.000 -0.047 0.000 1.648 529 I HN 0.419 nan 8.210 nan 0.000 0.431 530 S N -0.721 115.152 115.700 0.288 0.000 2.704 530 S HA 0.580 5.048 4.470 -0.003 0.000 0.305 530 S C -1.221 173.407 174.600 0.046 0.000 1.107 530 S CA -0.252 58.110 58.200 0.271 0.000 0.993 530 S CB 1.934 65.490 63.200 0.594 0.000 1.110 530 S HN 0.350 nan 8.310 nan 0.000 0.534 531 H N -0.334 118.552 119.070 -0.308 0.000 3.026 531 H HA 0.552 5.106 4.556 -0.003 0.000 0.352 531 H C -1.581 173.416 175.328 -0.553 0.000 1.090 531 H CA -0.109 55.580 56.048 -0.598 0.000 1.268 531 H CB 1.401 30.866 29.762 -0.495 0.000 1.816 531 H HN 0.581 nan 8.280 nan 0.000 0.518 532 T N 3.472 117.300 114.554 -1.210 0.000 3.041 532 T HA 0.196 4.544 4.350 -0.003 0.000 0.321 532 T C -0.539 173.730 174.700 -0.719 0.000 1.184 532 T CA -0.879 60.764 62.100 -0.761 0.000 1.050 532 T CB 2.147 70.722 68.868 -0.489 0.000 1.159 532 T HN 0.640 nan 8.240 nan 0.000 0.469 533 E N 1.972 121.916 120.200 -0.428 0.000 2.351 533 E HA 0.518 4.866 4.350 -0.003 0.000 0.255 533 E C -0.524 175.978 176.600 -0.163 0.000 1.188 533 E CA -0.555 55.691 56.400 -0.257 0.000 0.940 533 E CB 0.574 30.189 29.700 -0.141 0.000 1.094 533 E HN 0.398 nan 8.360 nan 0.000 0.474 534 M N 1.470 121.012 119.600 -0.096 0.000 2.572 534 M HA 0.173 4.651 4.480 -0.003 0.000 0.299 534 M C 0.663 176.932 176.300 -0.051 0.000 1.205 534 M CA -0.696 54.576 55.300 -0.047 0.000 0.876 534 M CB 1.756 34.356 32.600 -0.000 0.000 1.728 534 M HN 0.547 nan 8.290 nan 0.000 0.458 535 E N 1.094 121.269 120.200 -0.043 0.000 2.055 535 E HA -0.181 4.167 4.350 -0.003 0.000 0.209 535 E C 0.366 176.764 176.600 -0.337 0.000 1.036 535 E CA 1.794 58.105 56.400 -0.148 0.000 0.849 535 E CB 0.008 29.714 29.700 0.011 0.000 0.767 535 E HN 0.558 nan 8.360 nan 0.000 0.461 536 H N -0.719 118.377 119.070 0.042 0.000 3.024 536 H HA 0.334 4.889 4.556 -0.003 0.000 0.305 536 H C -0.004 175.378 175.328 0.089 0.000 1.506 536 H CA -0.796 55.293 56.048 0.070 0.000 1.324 536 H CB 0.772 30.599 29.762 0.109 0.000 1.925 536 H HN -0.054 nan 8.280 nan 0.000 0.661 537 E N 1.256 121.617 120.200 0.268 0.000 2.373 537 E HA 0.138 4.487 4.350 -0.003 0.000 0.267 537 E C -0.526 176.281 176.600 0.345 0.000 1.032 537 E CA -0.326 56.184 56.400 0.184 0.000 0.889 537 E CB 1.349 30.996 29.700 -0.088 0.000 0.984 537 E HN 0.136 nan 8.360 nan 0.000 0.425 538 V N 3.137 123.203 119.914 0.253 0.000 2.470 538 V HA 0.051 4.169 4.120 -0.003 0.000 0.276 538 V C 0.910 177.228 176.094 0.374 0.000 1.040 538 V CA 0.485 62.935 62.300 0.251 0.000 1.008 538 V CB 0.917 32.831 31.823 0.152 0.000 0.990 538 V HN 0.837 nan 8.190 nan 0.000 0.477 539 A N 4.205 127.201 122.820 0.294 0.000 2.035 539 A HA 0.346 4.664 4.320 -0.003 0.000 0.208 539 A C 0.831 178.481 177.584 0.110 0.000 1.206 539 A CA 0.872 53.017 52.037 0.180 0.000 0.773 539 A CB 0.137 19.035 19.000 -0.170 0.000 0.878 539 A HN 1.019 nan 8.150 nan 0.000 0.469 540 C N -2.241 117.117 119.300 0.097 0.000 3.247 540 C HA 0.724 5.183 4.460 -0.003 0.000 0.375 540 C C -1.115 173.928 174.990 0.088 0.000 1.102 540 C CA -1.275 57.797 59.018 0.088 0.000 1.227 540 C CB 0.108 27.896 27.740 0.081 0.000 1.586 540 C HN 0.272 nan 8.230 nan 0.000 0.544 541 L N 1.372 122.648 121.223 0.088 0.000 2.401 541 L HA 0.746 5.085 4.340 -0.003 0.000 0.266 541 L C -1.163 175.761 176.870 0.090 0.000 0.991 541 L CA 0.006 54.894 54.840 0.080 0.000 0.818 541 L CB 2.110 44.209 42.059 0.066 0.000 1.321 541 L HN 0.850 nan 8.230 nan 0.000 0.413 542 D N 2.364 122.812 120.400 0.079 0.000 2.788 542 D HA 0.610 5.249 4.640 -0.003 0.000 0.247 542 D C -1.379 174.951 176.300 0.050 0.000 1.236 542 D CA -0.258 53.793 54.000 0.085 0.000 0.898 542 D CB 1.683 42.548 40.800 0.108 0.000 1.401 542 D HN 0.327 nan 8.370 nan 0.000 0.549 543 I N 0.459 121.051 120.570 0.037 0.000 2.498 543 I HA 0.788 4.956 4.170 -0.003 0.000 0.290 543 I C -0.934 175.199 176.117 0.026 0.000 1.032 543 I CA -0.413 60.889 61.300 0.004 0.000 1.073 543 I CB 2.338 40.315 38.000 -0.038 0.000 1.251 543 I HN 0.151 nan 8.210 nan 0.000 0.426 544 T N 4.186 118.754 114.554 0.022 0.000 3.041 544 T HA 0.532 4.880 4.350 -0.003 0.000 0.321 544 T C -3.021 171.690 174.700 0.020 0.000 1.184 544 T CA -1.077 61.047 62.100 0.039 0.000 1.050 544 T CB 1.878 70.781 68.868 0.059 0.000 1.159 544 T HN 0.481 nan 8.240 nan 0.000 0.469 545 P HA 0.445 nan 4.420 nan 0.000 0.282 545 P C -0.424 176.891 177.300 0.026 0.000 1.274 545 P CA -0.539 62.570 63.100 0.016 0.000 0.770 545 P CB 0.578 32.294 31.700 0.025 0.000 0.867 546 L N 2.947 124.181 121.223 0.018 0.000 2.776 546 L HA 0.398 4.737 4.340 -0.003 0.000 0.165 546 L C 2.195 179.109 176.870 0.074 0.000 1.145 546 L CA 0.771 55.643 54.840 0.054 0.000 1.230 546 L CB -1.146 40.915 42.059 0.004 0.000 2.044 546 L HN 0.491 nan 8.230 nan 0.000 0.484 547 G N -1.334 107.550 108.800 0.141 0.000 3.314 547 G HA2 0.069 4.027 3.960 -0.003 0.000 0.238 547 G HA3 0.069 4.027 3.960 -0.003 0.000 0.238 547 G C 0.115 175.064 174.900 0.080 0.000 1.184 547 G CA 0.457 45.630 45.100 0.122 0.000 0.806 547 G HN 0.678 nan 8.290 nan 0.000 0.536 548 D N -0.860 119.565 120.400 0.042 0.000 2.500 548 D HA 0.080 4.718 4.640 -0.003 0.000 0.218 548 D C 0.656 176.964 176.300 0.014 0.000 1.140 548 D CA 0.188 54.201 54.000 0.021 0.000 0.830 548 D CB 0.135 40.932 40.800 -0.005 0.000 1.055 548 D HN 0.164 nan 8.370 nan 0.000 0.512 549 S N -0.110 115.599 115.700 0.015 0.000 2.592 549 S HA 0.382 4.850 4.470 -0.003 0.000 0.275 549 S C -1.069 173.547 174.600 0.026 0.000 1.169 549 S CA -1.050 57.160 58.200 0.017 0.000 0.958 549 S CB 1.037 64.240 63.200 0.005 0.000 1.095 549 S HN 0.032 nan 8.310 nan 0.000 0.471 550 N N 1.925 120.645 118.700 0.033 0.000 2.401 550 N HA 0.381 5.119 4.740 -0.003 0.000 0.255 550 N C 1.325 176.864 175.510 0.049 0.000 1.110 550 N CA 0.772 53.846 53.050 0.040 0.000 0.949 550 N CB 1.076 39.588 38.487 0.041 0.000 1.110 550 N HN 1.217 nan 8.380 nan 0.000 0.490 551 G N 1.459 110.289 108.800 0.049 0.000 3.078 551 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.227 551 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.227 551 G C 0.173 175.099 174.900 0.043 0.000 1.306 551 G CA 0.066 45.200 45.100 0.056 0.000 0.841 551 G HN 0.489 nan 8.290 nan 0.000 0.530 552 L N 1.649 122.897 121.223 0.043 0.000 2.452 552 L HA 0.634 4.972 4.340 -0.003 0.000 0.267 552 L C 0.802 177.669 176.870 -0.005 0.000 1.188 552 L CA 1.015 55.872 54.840 0.029 0.000 0.821 552 L CB 1.589 43.672 42.059 0.040 0.000 1.102 552 L HN 0.768 nan 8.230 nan 0.000 0.470 553 S N 3.851 119.525 115.700 -0.043 0.000 2.614 553 S HA 0.721 5.189 4.470 -0.003 0.000 0.288 553 S C -2.380 172.155 174.600 -0.109 0.000 1.137 553 S CA -1.126 57.030 58.200 -0.073 0.000 0.992 553 S CB 1.428 64.577 63.200 -0.084 0.000 1.026 553 S HN 0.459 nan 8.310 nan 0.000 0.486 554 P HA 0.251 nan 4.420 nan 0.000 0.339 554 P C -0.100 177.123 177.300 -0.129 0.000 1.413 554 P CA -0.563 62.472 63.100 -0.109 0.000 0.833 554 P CB -0.033 31.605 31.700 -0.103 0.000 2.004 555 L N -1.705 119.449 121.223 -0.115 0.000 2.482 555 L HA 0.327 4.665 4.340 -0.003 0.000 0.273 555 L C 0.158 176.969 176.870 -0.099 0.000 1.228 555 L CA -0.257 54.517 54.840 -0.110 0.000 0.827 555 L CB -0.426 41.584 42.059 -0.083 0.000 1.099 555 L HN 0.264 nan 8.230 nan 0.000 0.494 556 C N 1.559 120.801 119.300 -0.097 0.000 3.080 556 C HA 0.995 5.453 4.460 -0.003 0.000 0.307 556 C C -0.231 174.738 174.990 -0.035 0.000 1.311 556 C CA 0.289 59.264 59.018 -0.072 0.000 1.533 556 C CB 1.333 29.004 27.740 -0.116 0.000 1.970 556 C HN 1.282 nan 8.230 nan 0.000 0.467 557 A N 3.066 125.884 122.820 -0.003 0.000 2.556 557 A HA 0.910 5.229 4.320 -0.003 0.000 0.294 557 A C -1.484 176.122 177.584 0.036 0.000 1.091 557 A CA -0.454 51.592 52.037 0.015 0.000 0.704 557 A CB 1.294 20.310 19.000 0.027 0.000 1.300 557 A HN 1.280 nan 8.150 nan 0.000 0.406 558 I N 0.055 120.647 120.570 0.036 0.000 2.913 558 I HA 0.701 4.870 4.170 -0.003 0.000 0.302 558 I C -0.337 175.808 176.117 0.047 0.000 1.246 558 I CA -0.682 60.650 61.300 0.053 0.000 1.010 558 I CB 2.310 40.348 38.000 0.063 0.000 1.259 558 I HN 0.879 nan 8.210 nan 0.000 0.434 559 G N 6.897 115.733 108.800 0.059 0.000 2.533 559 G HA2 0.545 4.504 3.960 -0.003 0.000 0.310 559 G HA3 0.545 4.504 3.960 -0.003 0.000 0.310 559 G C -0.641 174.288 174.900 0.050 0.000 1.266 559 G CA -0.417 44.710 45.100 0.046 0.000 0.967 559 G HN 0.503 nan 8.290 nan 0.000 0.493 560 L N 0.888 122.146 121.223 0.058 0.000 2.777 560 L HA 0.423 4.761 4.340 -0.003 0.000 0.195 560 L C 1.261 178.190 176.870 0.098 0.000 1.190 560 L CA -0.640 54.275 54.840 0.123 0.000 0.933 560 L CB 0.727 42.879 42.059 0.154 0.000 1.758 560 L HN 0.652 nan 8.230 nan 0.000 0.515 561 W N -1.377 119.943 121.300 0.034 0.000 3.033 561 W HA 0.021 4.680 4.660 -0.003 0.000 0.250 561 W C 2.125 178.628 176.519 -0.026 0.000 1.105 561 W CA 0.373 57.733 57.345 0.026 0.000 1.655 561 W CB 0.403 29.899 29.460 0.059 0.000 1.001 561 W HN 0.383 nan 8.180 nan 0.000 0.653 562 T N -1.308 113.350 114.554 0.173 0.000 3.000 562 T HA -0.014 4.335 4.350 -0.003 0.000 0.248 562 T C 0.925 175.452 174.700 -0.288 0.000 1.034 562 T CA 0.505 62.599 62.100 -0.011 0.000 1.060 562 T CB -0.117 68.791 68.868 0.066 0.000 0.983 562 T HN -0.173 nan 8.240 nan 0.000 0.482 563 D N 1.471 121.552 120.400 -0.532 0.000 2.106 563 D HA -0.065 4.573 4.640 -0.003 0.000 0.191 563 D C 0.791 177.004 176.300 -0.145 0.000 0.997 563 D CA 0.879 54.677 54.000 -0.337 0.000 0.834 563 D CB -0.274 40.408 40.800 -0.196 0.000 0.956 563 D HN 0.426 nan 8.370 nan 0.000 0.448 564 I N 0.114 120.626 120.570 -0.098 0.000 6.963 564 I HA -0.264 3.904 4.170 -0.003 0.000 0.126 564 I C -0.384 175.711 176.117 -0.038 0.000 1.830 564 I CA 0.023 61.287 61.300 -0.060 0.000 2.046 564 I CB -1.595 36.380 38.000 -0.042 0.000 3.568 564 I HN 0.058 nan 8.210 nan 0.000 0.172 565 S N 2.083 117.764 115.700 -0.032 0.000 2.579 565 S HA 0.961 5.430 4.470 -0.003 0.000 0.272 565 S C -0.614 173.975 174.600 -0.018 0.000 1.141 565 S CA -0.262 57.915 58.200 -0.037 0.000 0.843 565 S CB 2.639 65.803 63.200 -0.059 0.000 1.122 565 S HN 1.199 nan 8.310 nan 0.000 0.468 566 A N 2.176 124.967 122.820 -0.048 0.000 2.335 566 A HA 0.840 5.159 4.320 -0.003 0.000 0.304 566 A C -0.250 177.264 177.584 -0.117 0.000 1.118 566 A CA -1.013 51.000 52.037 -0.040 0.000 0.757 566 A CB 0.898 19.901 19.000 0.006 0.000 1.188 566 A HN 0.923 nan 8.150 nan 0.000 0.460 567 R N 2.836 123.288 120.500 -0.081 0.000 2.621 567 R HA 0.639 4.977 4.340 -0.003 0.000 0.292 567 R C -1.257 175.002 176.300 -0.068 0.000 0.969 567 R CA -0.799 55.230 56.100 -0.118 0.000 0.887 567 R CB 1.198 31.444 30.300 -0.091 0.000 1.180 567 R HN 0.417 nan 8.270 nan 0.000 0.450 568 I N 3.841 124.365 120.570 -0.076 0.000 2.371 568 I HA 0.283 4.451 4.170 -0.003 0.000 0.290 568 I C 0.105 176.209 176.117 -0.021 0.000 1.028 568 I CA -0.666 60.621 61.300 -0.023 0.000 1.345 568 I CB 0.499 38.512 38.000 0.022 0.000 1.407 568 I HN 0.555 nan 8.210 nan 0.000 0.501 569 L N 5.929 127.137 121.223 -0.025 0.000 2.183 569 L HA 0.563 4.901 4.340 -0.003 0.000 0.253 569 L C 0.350 177.180 176.870 -0.066 0.000 1.048 569 L CA -0.634 54.187 54.840 -0.031 0.000 0.890 569 L CB 1.084 43.136 42.059 -0.012 0.000 1.476 569 L HN 0.480 nan 8.230 nan 0.000 0.455 570 K N -0.904 119.439 120.400 -0.095 0.000 2.502 570 K HA 0.472 4.791 4.320 -0.003 0.000 0.252 570 K C -0.105 176.310 176.600 -0.308 0.000 1.043 570 K CA -0.436 55.754 56.287 -0.162 0.000 0.999 570 K CB 1.070 33.489 32.500 -0.135 0.000 1.343 570 K HN 0.369 nan 8.250 nan 0.000 0.513 571 L N 0.437 121.409 121.223 -0.418 0.000 2.738 571 L HA 0.295 4.633 4.340 -0.003 0.000 0.175 571 L C -1.697 174.605 176.870 -0.948 0.000 1.125 571 L CA 0.080 54.505 54.840 -0.691 0.000 0.857 571 L CB -0.382 41.350 42.059 -0.546 0.000 1.300 571 L HN 0.484 nan 8.230 nan 0.000 0.499 572 P HA -0.107 nan 4.420 nan 0.000 0.215 572 P C 1.523 178.734 177.300 -0.149 0.000 1.153 572 P CA 2.174 65.109 63.100 -0.276 0.000 0.853 572 P CB -0.024 31.618 31.700 -0.097 0.000 0.788 573 S N -3.011 112.598 115.700 -0.151 0.000 2.492 573 S HA 0.088 4.556 4.470 -0.003 0.000 0.218 573 S C 0.812 175.540 174.600 0.214 0.000 1.016 573 S CA -0.040 58.199 58.200 0.065 0.000 0.916 573 S CB -0.959 62.258 63.200 0.027 0.000 0.791 573 S HN 0.069 nan 8.310 nan 0.000 0.513 574 F N 1.562 121.489 119.950 -0.039 0.000 2.699 574 F HA -0.198 4.327 4.527 -0.003 0.000 0.343 574 F C 0.498 176.270 175.800 -0.046 0.000 0.633 574 F CA 0.630 58.600 58.000 -0.050 0.000 1.365 574 F CB -2.292 36.672 39.000 -0.061 0.000 1.795 574 F HN 0.481 nan 8.300 nan 0.000 0.304 575 E N 2.527 122.772 120.200 0.075 0.000 2.422 575 E HA 0.239 4.587 4.350 -0.003 0.000 0.260 575 E C 0.039 176.650 176.600 0.018 0.000 1.108 575 E CA -0.557 55.867 56.400 0.040 0.000 0.943 575 E CB 1.345 31.055 29.700 0.017 0.000 0.961 575 E HN 0.291 nan 8.360 nan 0.000 0.443 576 L N 3.393 124.623 121.223 0.012 0.000 2.275 576 L HA 0.158 4.496 4.340 -0.003 0.000 0.288 576 L C -0.116 176.752 176.870 -0.003 0.000 1.046 576 L CA -0.216 54.624 54.840 0.001 0.000 0.805 576 L CB 1.060 43.117 42.059 -0.003 0.000 1.193 576 L HN 0.757 nan 8.230 nan 0.000 0.426 577 L N 4.484 125.706 121.223 -0.002 0.000 2.334 577 L HA 0.194 4.533 4.340 -0.003 0.000 0.195 577 L C 0.224 177.124 176.870 0.050 0.000 1.281 577 L CA 0.435 55.285 54.840 0.017 0.000 1.004 577 L CB -0.504 41.565 42.059 0.017 0.000 1.119 577 L HN 0.716 nan 8.230 nan 0.000 0.575 578 H N 0.209 119.250 119.070 -0.048 0.000 2.533 578 H HA 0.559 5.113 4.556 -0.003 0.000 0.343 578 H C -1.141 174.145 175.328 -0.070 0.000 1.160 578 H CA -1.182 54.829 56.048 -0.061 0.000 1.218 578 H CB 1.076 30.793 29.762 -0.076 0.000 1.566 578 H HN 0.187 nan 8.280 nan 0.000 0.522 579 K N 2.200 122.079 120.400 -0.868 0.000 2.443 579 K HA 0.394 4.712 4.320 -0.003 0.000 0.252 579 K C -1.152 174.950 176.600 -0.828 0.000 0.933 579 K CA -1.109 54.785 56.287 -0.656 0.000 0.792 579 K CB 2.165 34.493 32.500 -0.285 0.000 1.185 579 K HN 0.394 nan 8.250 nan 0.000 0.425 580 E N 3.556 123.417 120.200 -0.566 0.000 2.115 580 E HA 0.223 4.571 4.350 -0.003 0.000 0.282 580 E C -1.066 175.399 176.600 -0.224 0.000 0.987 580 E CA -0.614 55.563 56.400 -0.373 0.000 0.797 580 E CB 0.974 30.416 29.700 -0.430 0.000 1.086 580 E HN 0.667 nan 8.360 nan 0.000 0.397 581 M N 5.036 124.539 119.600 -0.162 0.000 2.200 581 M HA 0.314 4.792 4.480 -0.003 0.000 0.355 581 M C -1.320 174.916 176.300 -0.107 0.000 1.283 581 M CA 0.147 55.382 55.300 -0.109 0.000 1.124 581 M CB 0.321 32.875 32.600 -0.078 0.000 1.625 581 M HN 0.579 nan 8.290 nan 0.000 0.463 582 L N 3.651 124.824 121.223 -0.083 0.000 2.330 582 L HA 0.748 5.086 4.340 -0.003 0.000 0.271 582 L C 0.836 177.686 176.870 -0.033 0.000 1.013 582 L CA -0.939 53.851 54.840 -0.083 0.000 0.816 582 L CB 1.611 43.659 42.059 -0.018 0.000 1.287 582 L HN 0.817 nan 8.230 nan 0.000 0.435 583 G N -0.054 108.736 108.800 -0.017 0.000 2.514 583 G HA2 0.518 4.476 3.960 -0.003 0.000 0.245 583 G HA3 0.518 4.476 3.960 -0.003 0.000 0.245 583 G C 0.133 175.073 174.900 0.067 0.000 1.488 583 G CA 0.065 45.181 45.100 0.027 0.000 1.063 583 G HN 1.048 nan 8.290 nan 0.000 0.557 584 G N -2.087 106.755 108.800 0.071 0.000 2.846 584 G HA2 -0.081 3.878 3.960 -0.003 0.000 0.660 584 G HA3 -0.081 3.878 3.960 -0.003 0.000 0.660 584 G C 0.104 175.024 174.900 0.033 0.000 1.464 584 G CA 0.249 45.387 45.100 0.064 0.000 0.891 584 G HN 0.594 nan 8.290 nan 0.000 0.552 585 E N -0.460 119.754 120.200 0.023 0.000 2.714 585 E HA 0.180 4.528 4.350 -0.003 0.000 0.219 585 E C 0.668 177.267 176.600 -0.000 0.000 0.979 585 E CA -0.030 56.379 56.400 0.016 0.000 1.092 585 E CB 0.573 30.289 29.700 0.027 0.000 1.049 585 E HN 0.486 nan 8.360 nan 0.000 0.487 586 I N 2.774 123.332 120.570 -0.020 0.000 2.441 586 I HA 0.267 4.436 4.170 -0.003 0.000 0.295 586 I C 0.803 176.847 176.117 -0.122 0.000 0.994 586 I CA -1.135 60.126 61.300 -0.066 0.000 1.144 586 I CB 1.160 39.131 38.000 -0.048 0.000 1.314 586 I HN -0.126 nan 8.210 nan 0.000 0.445 587 I N 5.250 125.663 120.570 -0.262 0.000 2.882 587 I HA 0.365 4.534 4.170 -0.003 0.000 0.286 587 I C -2.394 173.584 176.117 -0.231 0.000 1.139 587 I CA -1.873 59.204 61.300 -0.371 0.000 1.379 587 I CB -0.276 37.184 38.000 -0.899 0.000 1.410 587 I HN 0.291 nan 8.210 nan 0.000 0.594 588 P HA 0.172 nan 4.420 nan 0.000 0.268 588 P C -0.127 177.115 177.300 -0.097 0.000 1.205 588 P CA -0.143 62.911 63.100 -0.077 0.000 0.771 588 P CB 1.192 32.882 31.700 -0.017 0.000 0.858 589 R N 0.929 121.405 120.500 -0.039 0.000 2.164 589 R HA 0.206 4.544 4.340 -0.003 0.000 0.198 589 R C 0.172 176.498 176.300 0.043 0.000 1.028 589 R CA 0.645 56.739 56.100 -0.010 0.000 1.083 589 R CB 0.385 30.678 30.300 -0.011 0.000 1.026 589 R HN 0.442 nan 8.270 nan 0.000 0.514 590 S N 0.271 116.003 115.700 0.053 0.000 2.521 590 S HA 0.511 4.979 4.470 -0.003 0.000 0.295 590 S C -1.097 173.566 174.600 0.105 0.000 1.098 590 S CA -0.549 57.704 58.200 0.089 0.000 0.999 590 S CB 2.372 65.625 63.200 0.088 0.000 1.034 590 S HN 0.176 nan 8.310 nan 0.000 0.483 591 I N 3.106 123.750 120.570 0.122 0.000 2.608 591 I HA 0.772 4.941 4.170 -0.003 0.000 0.295 591 I C -1.712 174.493 176.117 0.146 0.000 1.049 591 I CA -0.639 60.743 61.300 0.135 0.000 1.063 591 I CB 1.569 39.639 38.000 0.118 0.000 1.248 591 I HN 0.574 nan 8.210 nan 0.000 0.424 592 L N 7.619 128.939 121.223 0.162 0.000 2.540 592 L HA 0.717 5.055 4.340 -0.003 0.000 0.256 592 L C -1.582 175.392 176.870 0.174 0.000 1.001 592 L CA -0.540 54.396 54.840 0.161 0.000 0.843 592 L CB 2.205 44.362 42.059 0.164 0.000 1.436 592 L HN 0.666 nan 8.230 nan 0.000 0.410 593 M N 1.387 121.078 119.600 0.151 0.000 2.386 593 M HA 0.863 5.342 4.480 -0.003 0.000 0.293 593 M C -1.381 174.994 176.300 0.125 0.000 1.120 593 M CA -0.336 55.064 55.300 0.167 0.000 0.909 593 M CB 2.092 34.774 32.600 0.137 0.000 1.661 593 M HN 0.569 nan 8.290 nan 0.000 0.452 594 T N -0.717 113.928 114.554 0.151 0.000 3.032 594 T HA 0.594 4.943 4.350 -0.003 0.000 0.312 594 T C -0.658 173.982 174.700 -0.100 0.000 1.078 594 T CA -0.591 61.462 62.100 -0.078 0.000 1.028 594 T CB 1.763 70.503 68.868 -0.212 0.000 1.091 594 T HN 0.701 nan 8.240 nan 0.000 0.457 595 T N 2.681 117.050 114.554 -0.308 0.000 2.895 595 T HA 0.701 5.049 4.350 -0.003 0.000 0.283 595 T C -0.340 173.978 174.700 -0.637 0.000 1.014 595 T CA -0.456 61.494 62.100 -0.251 0.000 1.037 595 T CB 1.135 69.934 68.868 -0.115 0.000 1.006 595 T HN 0.602 nan 8.240 nan 0.000 0.468 596 F N 0.149 120.076 119.950 -0.039 0.000 1.965 596 F HA 0.332 4.857 4.527 -0.003 0.000 0.237 596 F C 1.794 177.527 175.800 -0.113 0.000 1.132 596 F CA -0.387 57.543 58.000 -0.117 0.000 1.272 596 F CB 0.296 39.167 39.000 -0.215 0.000 1.657 596 F HN 0.443 nan 8.300 nan 0.000 0.525 597 E N -0.496 119.747 120.200 0.073 0.000 2.592 597 E HA 0.255 4.604 4.350 -0.003 0.000 0.184 597 E C 0.051 176.649 176.600 -0.003 0.000 1.056 597 E CA 0.400 56.785 56.400 -0.025 0.000 1.151 597 E CB 0.319 29.943 29.700 -0.127 0.000 1.435 597 E HN -0.050 nan 8.360 nan 0.000 0.496 598 S N 0.124 115.841 115.700 0.029 0.000 2.526 598 S HA 0.540 5.008 4.470 -0.003 0.000 0.220 598 S C -0.991 173.749 174.600 0.233 0.000 1.159 598 S CA -0.240 58.055 58.200 0.158 0.000 1.196 598 S CB 0.689 64.039 63.200 0.251 0.000 1.225 598 S HN 0.029 nan 8.310 nan 0.000 0.432 599 S N 1.163 116.909 115.700 0.078 0.000 2.552 599 S HA 0.434 4.902 4.470 -0.003 0.000 0.272 599 S C -1.723 172.719 174.600 -0.264 0.000 1.150 599 S CA -0.733 57.419 58.200 -0.080 0.000 0.849 599 S CB 0.988 64.112 63.200 -0.126 0.000 1.113 599 S HN 0.491 nan 8.310 nan 0.000 0.458 600 H N 1.174 120.194 119.070 -0.083 0.000 2.469 600 H HA 0.498 5.052 4.556 -0.003 0.000 0.342 600 H C -1.338 173.967 175.328 -0.039 0.000 1.115 600 H CA -0.106 55.976 56.048 0.057 0.000 1.204 600 H CB 1.147 30.943 29.762 0.057 0.000 1.492 600 H HN 0.491 nan 8.280 nan 0.000 0.499 601 Y N 1.179 121.635 120.300 0.260 0.000 2.524 601 Y HA 0.386 4.934 4.550 -0.003 0.000 0.344 601 Y C -0.373 175.670 175.900 0.238 0.000 1.012 601 Y CA -0.961 57.292 58.100 0.255 0.000 1.068 601 Y CB 1.976 40.618 38.460 0.303 0.000 1.249 601 Y HN 0.393 nan 8.280 nan 0.000 0.468 602 L N 3.440 124.913 121.223 0.417 0.000 2.404 602 L HA 0.669 5.007 4.340 -0.003 0.000 0.272 602 L C -1.951 175.166 176.870 0.413 0.000 0.980 602 L CA -0.384 54.672 54.840 0.361 0.000 0.836 602 L CB 0.978 43.218 42.059 0.301 0.000 1.238 602 L HN 0.536 nan 8.230 nan 0.000 0.408 603 L N 5.060 126.489 121.223 0.344 0.000 2.365 603 L HA 0.662 5.000 4.340 -0.003 0.000 0.273 603 L C -0.804 176.233 176.870 0.279 0.000 1.000 603 L CA -0.258 54.776 54.840 0.324 0.000 0.819 603 L CB 1.942 44.166 42.059 0.276 0.000 1.284 603 L HN 0.618 nan 8.230 nan 0.000 0.418 604 C N 2.680 122.157 119.300 0.295 0.000 2.482 604 C HA 0.928 5.387 4.460 -0.003 0.000 0.317 604 C C -0.052 175.028 174.990 0.151 0.000 1.197 604 C CA -0.416 58.750 59.018 0.246 0.000 1.432 604 C CB 0.595 28.540 27.740 0.341 0.000 2.062 604 C HN 0.947 nan 8.230 nan 0.000 0.471 605 A N 5.854 128.722 122.820 0.079 0.000 2.325 605 A HA 0.922 5.241 4.320 -0.003 0.000 0.333 605 A C -0.982 176.584 177.584 -0.029 0.000 1.155 605 A CA -0.464 51.567 52.037 -0.011 0.000 0.814 605 A CB 0.718 19.712 19.000 -0.010 0.000 1.206 605 A HN 0.920 nan 8.150 nan 0.000 0.482 606 L N 0.757 121.926 121.223 -0.090 0.000 2.271 606 L HA 0.600 4.938 4.340 -0.003 0.000 0.265 606 L C 1.690 178.513 176.870 -0.079 0.000 1.013 606 L CA -0.638 54.156 54.840 -0.076 0.000 0.820 606 L CB 1.363 43.375 42.059 -0.078 0.000 1.352 606 L HN 0.822 nan 8.230 nan 0.000 0.443 607 G N -0.208 108.549 108.800 -0.071 0.000 2.404 607 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.215 607 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.215 607 G C 0.872 175.739 174.900 -0.055 0.000 1.174 607 G CA 0.799 45.862 45.100 -0.061 0.000 0.780 607 G HN 0.862 nan 8.290 nan 0.000 0.537 608 D N 0.235 120.604 120.400 -0.053 0.000 2.403 608 D HA 0.129 4.767 4.640 -0.003 0.000 0.227 608 D C 1.781 178.042 176.300 -0.065 0.000 0.995 608 D CA 1.207 55.179 54.000 -0.047 0.000 0.928 608 D CB -0.635 40.145 40.800 -0.034 0.000 0.887 608 D HN 0.611 nan 8.370 nan 0.000 0.529 609 G N -0.241 108.509 108.800 -0.084 0.000 2.279 609 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.223 609 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.223 609 G C 0.632 175.452 174.900 -0.132 0.000 1.015 609 G CA 0.385 45.425 45.100 -0.100 0.000 0.621 609 G HN 0.861 nan 8.290 nan 0.000 0.506 610 A N -0.084 122.643 122.820 -0.155 0.000 2.455 610 A HA 0.711 5.030 4.320 -0.003 0.000 0.244 610 A C 0.143 177.530 177.584 -0.328 0.000 1.099 610 A CA 1.278 53.175 52.037 -0.235 0.000 0.786 610 A CB 0.618 19.453 19.000 -0.276 0.000 1.051 610 A HN 1.782 nan 8.150 nan 0.000 0.508 611 L N -0.879 120.093 121.223 -0.418 0.000 2.465 611 L HA 0.785 5.123 4.340 -0.003 0.000 0.257 611 L C -1.670 174.921 176.870 -0.465 0.000 0.988 611 L CA -0.613 54.019 54.840 -0.346 0.000 0.827 611 L CB 1.738 43.756 42.059 -0.068 0.000 1.397 611 L HN 0.682 nan 8.230 nan 0.000 0.410 612 F N 2.187 122.186 119.950 0.080 0.000 2.532 612 F HA 0.544 5.070 4.527 -0.003 0.000 0.321 612 F C -0.971 174.774 175.800 -0.093 0.000 1.089 612 F CA -0.724 57.208 58.000 -0.113 0.000 0.926 612 F CB 1.712 40.585 39.000 -0.212 0.000 1.168 612 F HN 0.334 nan 8.300 nan 0.000 0.459 613 Y N 0.483 120.667 120.300 -0.194 0.000 2.335 613 Y HA 0.794 5.342 4.550 -0.003 0.000 0.338 613 Y C -1.620 174.050 175.900 -0.383 0.000 0.977 613 Y CA -2.266 55.740 58.100 -0.157 0.000 1.114 613 Y CB 0.605 39.047 38.460 -0.031 0.000 1.182 613 Y HN 0.427 nan 8.280 nan 0.000 0.463 614 F N 1.057 121.167 119.950 0.267 0.000 2.631 614 F HA 0.840 5.365 4.527 -0.003 0.000 0.328 614 F C 0.420 176.310 175.800 0.150 0.000 1.067 614 F CA -1.524 56.567 58.000 0.151 0.000 0.969 614 F CB 2.707 41.781 39.000 0.123 0.000 1.332 614 F HN 0.822 nan 8.300 nan 0.000 0.490 615 G N 1.754 110.736 108.800 0.304 0.000 2.557 615 G HA2 0.596 4.555 3.960 -0.003 0.000 0.310 615 G HA3 0.596 4.555 3.960 -0.003 0.000 0.310 615 G C -2.195 172.767 174.900 0.104 0.000 1.328 615 G CA -0.401 44.778 45.100 0.131 0.000 0.945 615 G HN 0.431 nan 8.290 nan 0.000 0.494 616 L N 1.992 123.275 121.223 0.100 0.000 2.333 616 L HA 0.669 5.008 4.340 -0.003 0.000 0.269 616 L C -0.805 176.099 176.870 0.057 0.000 1.010 616 L CA -1.058 53.825 54.840 0.071 0.000 0.818 616 L CB 2.113 44.226 42.059 0.091 0.000 1.306 616 L HN 0.385 nan 8.230 nan 0.000 0.430 617 N N 2.811 121.520 118.700 0.014 0.000 2.370 617 N HA 0.385 5.124 4.740 -0.003 0.000 0.303 617 N C 1.140 176.597 175.510 -0.088 0.000 1.103 617 N CA -0.389 52.658 53.050 -0.005 0.000 0.848 617 N CB 1.807 40.289 38.487 -0.008 0.000 1.235 617 N HN 0.707 nan 8.380 nan 0.000 0.496 618 I N -1.176 119.280 120.570 -0.190 0.000 2.315 618 I HA -0.219 3.949 4.170 -0.003 0.000 0.251 618 I C 1.084 177.119 176.117 -0.137 0.000 1.125 618 I CA 1.435 62.567 61.300 -0.280 0.000 1.392 618 I CB -0.066 37.726 38.000 -0.346 0.000 1.065 618 I HN 0.374 nan 8.210 nan 0.000 0.424 619 E N 1.140 121.291 120.200 -0.082 0.000 2.307 619 E HA -0.023 4.326 4.350 -0.003 0.000 0.192 619 E C 2.354 178.926 176.600 -0.047 0.000 0.967 619 E CA 1.456 57.822 56.400 -0.056 0.000 1.042 619 E CB -0.758 28.919 29.700 -0.037 0.000 1.126 619 E HN 0.542 nan 8.360 nan 0.000 0.484 620 T N -0.413 114.118 114.554 -0.038 0.000 2.643 620 T HA 0.013 4.361 4.350 -0.003 0.000 0.264 620 T C 1.389 176.069 174.700 -0.035 0.000 1.045 620 T CA 1.282 63.361 62.100 -0.035 0.000 1.155 620 T CB -0.736 68.112 68.868 -0.034 0.000 0.863 620 T HN 0.434 nan 8.240 nan 0.000 0.420 621 G N 1.586 110.366 108.800 -0.033 0.000 2.636 621 G HA2 0.192 4.151 3.960 -0.003 0.000 0.261 621 G HA3 0.192 4.151 3.960 -0.003 0.000 0.261 621 G C -0.645 174.240 174.900 -0.026 0.000 1.018 621 G CA -0.215 44.872 45.100 -0.023 0.000 1.308 621 G HN 1.269 nan 8.290 nan 0.000 0.514 622 L N -0.730 120.464 121.223 -0.048 0.000 2.582 622 L HA 0.800 5.138 4.340 -0.003 0.000 0.257 622 L C 0.393 177.177 176.870 -0.144 0.000 0.974 622 L CA -1.480 53.283 54.840 -0.130 0.000 0.851 622 L CB 0.951 42.925 42.059 -0.141 0.000 1.424 622 L HN 0.257 nan 8.230 nan 0.000 0.412 623 L N 0.815 121.857 121.223 -0.301 0.000 2.498 623 L HA 0.251 4.590 4.340 -0.003 0.000 0.293 623 L C 0.452 177.286 176.870 -0.059 0.000 1.271 623 L CA 0.986 55.707 54.840 -0.198 0.000 0.831 623 L CB 0.798 42.672 42.059 -0.309 0.000 1.091 623 L HN 1.031 nan 8.230 nan 0.000 0.535 624 S N -1.072 114.664 115.700 0.060 0.000 3.629 624 S HA 0.217 4.686 4.470 -0.003 0.000 0.319 624 S C -1.422 173.264 174.600 0.144 0.000 1.149 624 S CA -0.855 57.392 58.200 0.078 0.000 1.099 624 S CB 0.456 63.699 63.200 0.071 0.000 1.433 624 S HN 0.588 nan 8.310 nan 0.000 0.736 625 D N 2.015 122.468 120.400 0.089 0.000 2.571 625 D HA 0.039 4.678 4.640 -0.003 0.000 0.231 625 D C -0.037 176.225 176.300 -0.065 0.000 1.133 625 D CA 0.948 54.947 54.000 -0.001 0.000 0.862 625 D CB 0.317 41.094 40.800 -0.037 0.000 1.179 625 D HN 0.212 nan 8.370 nan 0.000 0.474 626 R N 2.514 122.930 120.500 -0.141 0.000 2.371 626 R HA 0.300 4.639 4.340 -0.003 0.000 0.312 626 R C -0.953 175.121 176.300 -0.378 0.000 0.980 626 R CA -0.606 55.319 56.100 -0.292 0.000 0.867 626 R CB 0.601 30.928 30.300 0.046 0.000 1.163 626 R HN 0.277 nan 8.270 nan 0.000 0.492 627 K N 2.765 122.785 120.400 -0.635 0.000 2.464 627 K HA 0.278 4.596 4.320 -0.003 0.000 0.253 627 K C -1.319 175.154 176.600 -0.211 0.000 0.933 627 K CA -0.853 55.153 56.287 -0.469 0.000 0.801 627 K CB 2.763 34.900 32.500 -0.606 0.000 1.271 627 K HN 0.260 nan 8.250 nan 0.000 0.430 628 K N 2.932 123.371 120.400 0.065 0.000 2.263 628 K HA 0.307 4.625 4.320 -0.003 0.000 0.272 628 K C -0.266 176.424 176.600 0.149 0.000 1.033 628 K CA -0.611 55.806 56.287 0.216 0.000 0.884 628 K CB 0.823 33.513 32.500 0.317 0.000 1.107 628 K HN 0.484 nan 8.250 nan 0.000 0.460 629 V N 0.195 120.202 119.914 0.155 0.000 3.345 629 V HA 0.684 4.802 4.120 -0.003 0.000 0.308 629 V C -0.316 175.800 176.094 0.037 0.000 1.168 629 V CA -0.670 61.737 62.300 0.178 0.000 1.024 629 V CB 1.590 33.638 31.823 0.374 0.000 1.211 629 V HN 0.756 nan 8.190 nan 0.000 0.461 630 T N 0.175 114.742 114.554 0.022 0.000 2.991 630 T HA 0.605 4.953 4.350 -0.003 0.000 0.303 630 T C -0.352 174.295 174.700 -0.088 0.000 1.015 630 T CA -0.521 61.549 62.100 -0.049 0.000 1.007 630 T CB 0.795 69.645 68.868 -0.031 0.000 1.034 630 T HN 0.717 nan 8.240 nan 0.000 0.446 631 L N 3.324 124.463 121.223 -0.141 0.000 2.618 631 L HA 0.641 4.980 4.340 -0.003 0.000 0.156 631 L C 1.963 178.750 176.870 -0.138 0.000 1.675 631 L CA -0.716 54.013 54.840 -0.184 0.000 3.113 631 L CB -0.582 41.331 42.059 -0.244 0.000 3.006 631 L HN 0.744 nan 8.230 nan 0.000 0.867 632 G N -0.710 108.004 108.800 -0.143 0.000 2.631 632 G HA2 0.200 4.158 3.960 -0.003 0.000 0.271 632 G HA3 0.200 4.158 3.960 -0.003 0.000 0.271 632 G C 0.580 175.426 174.900 -0.090 0.000 1.302 632 G CA 0.341 45.374 45.100 -0.112 0.000 1.002 632 G HN 0.575 nan 8.290 nan 0.000 0.519 633 T N -1.166 113.344 114.554 -0.073 0.000 3.044 633 T HA 0.191 4.540 4.350 -0.003 0.000 0.250 633 T C 0.634 175.300 174.700 -0.057 0.000 1.081 633 T CA 0.098 62.164 62.100 -0.058 0.000 1.040 633 T CB 0.338 69.180 68.868 -0.043 0.000 0.962 633 T HN 0.270 nan 8.240 nan 0.000 0.506 634 Q N 2.125 121.886 119.800 -0.066 0.000 2.230 634 Q HA 0.403 4.741 4.340 -0.003 0.000 0.253 634 Q C -2.650 173.305 176.000 -0.075 0.000 0.919 634 Q CA -3.139 52.626 55.803 -0.063 0.000 0.908 634 Q CB 0.800 29.498 28.738 -0.066 0.000 1.245 634 Q HN 0.123 nan 8.270 nan 0.000 0.437 635 P HA -0.086 nan 4.420 nan 0.000 0.264 635 P C -0.576 176.674 177.300 -0.082 0.000 1.173 635 P CA 0.524 63.586 63.100 -0.063 0.000 0.761 635 P CB 0.277 31.954 31.700 -0.039 0.000 0.794 636 T N 1.587 116.096 114.554 -0.076 0.000 2.867 636 T HA 0.410 4.758 4.350 -0.003 0.000 0.282 636 T C -0.040 174.632 174.700 -0.047 0.000 1.000 636 T CA -0.544 61.505 62.100 -0.084 0.000 1.042 636 T CB 0.934 69.747 68.868 -0.092 0.000 0.973 636 T HN 0.061 nan 8.240 nan 0.000 0.465 637 V N 4.055 123.938 119.914 -0.053 0.000 2.384 637 V HA 0.421 4.540 4.120 -0.003 0.000 0.287 637 V C -0.347 175.789 176.094 0.069 0.000 1.020 637 V CA -0.835 61.472 62.300 0.012 0.000 0.850 637 V CB 1.074 32.874 31.823 -0.039 0.000 0.987 637 V HN 0.724 nan 8.190 nan 0.000 0.436 638 L N 5.893 127.178 121.223 0.104 0.000 2.277 638 L HA 0.718 5.056 4.340 -0.003 0.000 0.284 638 L C -0.042 176.927 176.870 0.165 0.000 1.028 638 L CA -0.209 54.710 54.840 0.131 0.000 0.835 638 L CB 1.191 43.322 42.059 0.119 0.000 1.215 638 L HN 0.623 nan 8.230 nan 0.000 0.425 639 R N 1.846 122.469 120.500 0.206 0.000 2.837 639 R HA 0.686 5.025 4.340 -0.003 0.000 0.271 639 R C -1.020 175.418 176.300 0.229 0.000 0.993 639 R CA -0.484 55.727 56.100 0.185 0.000 0.931 639 R CB 1.760 32.137 30.300 0.127 0.000 1.206 639 R HN 0.419 nan 8.270 nan 0.000 0.474 640 T N 3.205 117.855 114.554 0.161 0.000 2.907 640 T HA 0.592 4.940 4.350 -0.003 0.000 0.284 640 T C -0.447 174.351 174.700 0.164 0.000 1.004 640 T CA -0.324 61.843 62.100 0.111 0.000 1.063 640 T CB 0.424 69.297 68.868 0.009 0.000 0.992 640 T HN 0.449 nan 8.240 nan 0.000 0.483 641 F N -0.438 119.574 119.950 0.103 0.000 2.654 641 F HA 0.802 5.328 4.527 -0.003 0.000 0.334 641 F C -0.274 175.579 175.800 0.089 0.000 1.078 641 F CA -1.837 56.209 58.000 0.076 0.000 0.986 641 F CB 1.479 40.523 39.000 0.073 0.000 1.362 641 F HN 0.476 nan 8.300 nan 0.000 0.498 642 R N 1.003 121.703 120.500 0.334 0.000 2.338 642 R HA 0.578 4.917 4.340 -0.003 0.000 0.317 642 R C -0.464 176.071 176.300 0.391 0.000 0.968 642 R CA 0.182 56.424 56.100 0.235 0.000 0.849 642 R CB 1.589 31.989 30.300 0.168 0.000 1.128 642 R HN 1.090 nan 8.270 nan 0.000 0.448 643 S N 5.120 121.012 115.700 0.320 0.000 3.316 643 S HA 0.197 4.665 4.470 -0.003 0.000 0.174 643 S C 1.054 175.769 174.600 0.191 0.000 0.734 643 S CA -0.058 58.331 58.200 0.313 0.000 0.861 643 S CB -0.549 62.917 63.200 0.443 0.000 1.009 643 S HN 0.582 nan 8.310 nan 0.000 0.728 644 L N 0.550 121.883 121.223 0.182 0.000 2.666 644 L HA 0.655 4.993 4.340 -0.003 0.000 0.213 644 L C 2.130 179.070 176.870 0.116 0.000 1.734 644 L CA 0.020 54.942 54.840 0.137 0.000 2.979 644 L CB -0.624 41.518 42.059 0.138 0.000 2.784 644 L HN 0.461 nan 8.230 nan 0.000 0.797 645 S N -0.419 115.344 115.700 0.106 0.000 2.357 645 S HA -0.083 4.386 4.470 -0.003 0.000 0.221 645 S C 1.287 175.933 174.600 0.078 0.000 1.031 645 S CA 0.763 59.010 58.200 0.078 0.000 0.982 645 S CB -1.489 61.750 63.200 0.065 0.000 0.853 645 S HN 0.773 nan 8.310 nan 0.000 0.458 646 T N 2.699 117.316 114.554 0.105 0.000 2.978 646 T HA 0.397 4.745 4.350 -0.003 0.000 0.278 646 T C 0.139 174.916 174.700 0.128 0.000 0.945 646 T CA -0.342 61.823 62.100 0.109 0.000 1.070 646 T CB -0.512 68.378 68.868 0.037 0.000 0.948 646 T HN 0.445 nan 8.240 nan 0.000 0.617 647 T N 2.705 117.289 114.554 0.050 0.000 2.749 647 T HA 0.428 4.777 4.350 -0.003 0.000 0.295 647 T C 0.018 174.606 174.700 -0.186 0.000 0.936 647 T CA -0.997 61.053 62.100 -0.083 0.000 1.060 647 T CB 0.576 69.403 68.868 -0.068 0.000 0.904 647 T HN 0.595 nan 8.240 nan 0.000 0.500 648 N N 1.991 120.314 118.700 -0.628 0.000 2.989 648 N HA 0.579 5.317 4.740 -0.003 0.000 0.338 648 N C -1.050 174.121 175.510 -0.564 0.000 1.369 648 N CA -0.718 52.115 53.050 -0.362 0.000 0.794 648 N CB 1.501 39.869 38.487 -0.199 0.000 1.359 648 N HN 0.444 nan 8.380 nan 0.000 0.609 649 V N 1.174 121.101 119.914 0.021 0.000 2.417 649 V HA 0.365 4.483 4.120 -0.003 0.000 0.291 649 V C -0.874 175.513 176.094 0.488 0.000 1.024 649 V CA -0.736 61.716 62.300 0.252 0.000 0.861 649 V CB 1.096 33.062 31.823 0.238 0.000 0.985 649 V HN 0.496 nan 8.190 nan 0.000 0.436 650 F N 4.241 124.428 119.950 0.395 0.000 2.420 650 F HA 0.756 5.281 4.527 -0.003 0.000 0.342 650 F C 0.319 176.168 175.800 0.081 0.000 1.113 650 F CA -0.426 57.710 58.000 0.227 0.000 1.059 650 F CB 1.132 40.228 39.000 0.161 0.000 1.128 650 F HN 0.540 nan 8.300 nan 0.000 0.475 651 A N 5.800 128.359 122.820 -0.436 0.000 2.291 651 A HA 0.601 4.919 4.320 -0.003 0.000 0.311 651 A C -1.052 176.271 177.584 -0.435 0.000 1.224 651 A CA -0.578 51.286 52.037 -0.288 0.000 0.821 651 A CB -0.104 18.735 19.000 -0.269 0.000 1.172 651 A HN 0.865 nan 8.150 nan 0.000 0.494 652 C N 1.969 121.208 119.300 -0.101 0.000 2.401 652 C HA 0.898 5.356 4.460 -0.003 0.000 0.365 652 C C 1.100 176.006 174.990 -0.139 0.000 1.250 652 C CA -0.280 58.709 59.018 -0.048 0.000 2.131 652 C CB 0.396 28.169 27.740 0.055 0.000 2.445 652 C HN 0.949 nan 8.230 nan 0.000 0.550 653 S N 0.309 115.923 115.700 -0.144 0.000 3.813 653 S HA 0.286 4.754 4.470 -0.003 0.000 0.309 653 S C -0.216 174.313 174.600 -0.117 0.000 1.136 653 S CA -0.234 57.883 58.200 -0.139 0.000 1.190 653 S CB 0.352 63.461 63.200 -0.153 0.000 1.582 653 S HN 0.867 nan 8.310 nan 0.000 0.647 654 D N 0.477 120.814 120.400 -0.105 0.000 2.358 654 D HA 0.229 4.867 4.640 -0.003 0.000 0.224 654 D C 0.327 176.572 176.300 -0.091 0.000 1.123 654 D CA -0.078 53.870 54.000 -0.087 0.000 0.833 654 D CB 0.253 41.010 40.800 -0.072 0.000 0.946 654 D HN 0.217 nan 8.370 nan 0.000 0.505 655 R N 0.820 121.251 120.500 -0.116 0.000 3.090 655 R HA 0.209 4.548 4.340 -0.003 0.000 0.279 655 R C -3.338 172.850 176.300 -0.186 0.000 1.462 655 R CA -1.266 54.755 56.100 -0.131 0.000 1.044 655 R CB 0.892 31.116 30.300 -0.126 0.000 1.365 655 R HN -0.080 nan 8.270 nan 0.000 0.399 656 P HA 0.202 nan 4.420 nan 0.000 0.269 656 P C -0.989 176.057 177.300 -0.423 0.000 1.209 656 P CA 0.155 63.064 63.100 -0.317 0.000 0.776 656 P CB 0.994 32.597 31.700 -0.161 0.000 0.876 657 T N 1.681 115.843 114.554 -0.653 0.000 3.109 657 T HA 0.287 4.636 4.350 -0.003 0.000 0.311 657 T C -0.745 173.605 174.700 -0.582 0.000 1.011 657 T CA -0.381 61.401 62.100 -0.531 0.000 1.026 657 T CB 0.930 69.509 68.868 -0.481 0.000 1.047 657 T HN -0.036 nan 8.240 nan 0.000 0.448 658 V N 5.041 124.750 119.914 -0.342 0.000 2.407 658 V HA 0.491 4.609 4.120 -0.003 0.000 0.278 658 V C -0.122 176.008 176.094 0.060 0.000 1.037 658 V CA -0.622 61.623 62.300 -0.092 0.000 0.900 658 V CB 1.173 32.976 31.823 -0.033 0.000 0.983 658 V HN 0.757 nan 8.190 nan 0.000 0.459 659 I N 6.543 127.226 120.570 0.187 0.000 2.388 659 I HA 0.276 4.444 4.170 -0.003 0.000 0.281 659 I C -0.120 176.093 176.117 0.159 0.000 1.046 659 I CA -0.346 61.066 61.300 0.187 0.000 1.187 659 I CB 0.328 38.431 38.000 0.172 0.000 1.351 659 I HN 0.609 nan 8.210 nan 0.000 0.472 660 Y N 5.397 125.695 120.300 -0.004 0.000 2.958 660 Y HA 0.406 4.955 4.550 -0.003 0.000 0.480 660 Y C 0.257 175.966 175.900 -0.318 0.000 1.384 660 Y CA -0.917 57.146 58.100 -0.062 0.000 1.949 660 Y CB 0.701 39.182 38.460 0.035 0.000 1.690 660 Y HN 0.364 nan 8.280 nan 0.000 0.720 661 S N 0.335 115.446 115.700 -0.981 0.000 2.750 661 S HA 0.323 4.791 4.470 -0.003 0.000 0.276 661 S C -0.202 173.951 174.600 -0.744 0.000 1.165 661 S CA -0.525 57.149 58.200 -0.876 0.000 1.047 661 S CB 1.353 64.076 63.200 -0.795 0.000 1.056 661 S HN 0.703 nan 8.310 nan 0.000 0.481 662 S N 3.072 118.547 115.700 -0.375 0.000 2.163 662 S HA -0.025 4.443 4.470 -0.003 0.000 0.151 662 S C 1.738 176.259 174.600 -0.132 0.000 1.382 662 S CA 1.417 59.508 58.200 -0.181 0.000 2.383 662 S CB -0.329 62.805 63.200 -0.110 0.000 0.325 662 S HN 0.810 nan 8.310 nan 0.000 0.349 663 N N -0.006 118.655 118.700 -0.066 0.000 2.250 663 N HA -0.009 4.729 4.740 -0.003 0.000 0.181 663 N C 1.292 176.820 175.510 0.031 0.000 1.017 663 N CA 1.754 54.790 53.050 -0.024 0.000 0.866 663 N CB -0.247 38.226 38.487 -0.023 0.000 0.985 663 N HN 0.680 nan 8.380 nan 0.000 0.429 664 H N -1.477 117.542 119.070 -0.085 0.000 3.577 664 H HA 0.250 4.804 4.556 -0.003 0.000 0.241 664 H C -0.271 175.023 175.328 -0.058 0.000 1.070 664 H CA -0.157 55.855 56.048 -0.059 0.000 1.114 664 H CB 0.506 30.253 29.762 -0.025 0.000 1.241 664 H HN 0.002 nan 8.280 nan 0.000 0.783 665 K N 0.979 121.403 120.400 0.040 0.000 2.545 665 K HA 0.371 4.689 4.320 -0.003 0.000 0.269 665 K C -0.071 176.392 176.600 -0.228 0.000 1.071 665 K CA -0.134 56.130 56.287 -0.039 0.000 0.919 665 K CB 0.618 33.065 32.500 -0.088 0.000 1.169 665 K HN -0.012 nan 8.250 nan 0.000 0.493 666 L N 0.936 121.977 121.223 -0.304 0.000 2.381 666 L HA 0.316 4.655 4.340 -0.003 0.000 0.274 666 L C -0.310 176.414 176.870 -0.244 0.000 0.988 666 L CA -1.044 53.559 54.840 -0.394 0.000 0.824 666 L CB 1.763 43.525 42.059 -0.495 0.000 1.263 666 L HN 0.243 nan 8.230 nan 0.000 0.410 667 V N 2.545 122.411 119.914 -0.079 0.000 3.178 667 V HA -0.013 4.105 4.120 -0.003 0.000 0.306 667 V C -0.267 175.979 176.094 0.253 0.000 1.107 667 V CA 0.812 63.166 62.300 0.090 0.000 1.195 667 V CB 0.890 32.859 31.823 0.245 0.000 0.993 667 V HN 0.464 nan 8.190 nan 0.000 0.493 668 F N 2.365 122.278 119.950 -0.063 0.000 2.564 668 F HA 0.409 4.934 4.527 -0.003 0.000 0.329 668 F C 0.402 176.156 175.800 -0.076 0.000 1.458 668 F CA -0.458 57.487 58.000 -0.091 0.000 1.117 668 F CB 0.851 39.780 39.000 -0.118 0.000 1.383 668 F HN 0.357 nan 8.300 nan 0.000 0.571 669 S N 0.906 116.617 115.700 0.018 0.000 2.509 669 S HA 0.396 4.865 4.470 -0.003 0.000 0.297 669 S C 0.176 174.702 174.600 -0.124 0.000 1.118 669 S CA -0.725 57.452 58.200 -0.039 0.000 1.074 669 S CB 1.128 64.321 63.200 -0.012 0.000 1.038 669 S HN 0.258 nan 8.310 nan 0.000 0.498 670 N N 0.936 119.561 118.700 -0.124 0.000 2.307 670 N HA 0.126 4.865 4.740 -0.003 0.000 0.230 670 N C -0.766 174.656 175.510 -0.145 0.000 1.297 670 N CA 0.264 53.225 53.050 -0.148 0.000 0.884 670 N CB 0.402 38.818 38.487 -0.118 0.000 1.115 670 N HN 0.260 nan 8.380 nan 0.000 0.436 671 V N 2.030 121.851 119.914 -0.154 0.000 2.525 671 V HA 0.143 4.261 4.120 -0.003 0.000 0.299 671 V C 0.035 176.071 176.094 -0.095 0.000 1.034 671 V CA -0.926 61.300 62.300 -0.123 0.000 0.863 671 V CB 1.606 33.359 31.823 -0.116 0.000 0.999 671 V HN 0.504 nan 8.190 nan 0.000 0.423 672 N N 5.247 123.892 118.700 -0.091 0.000 3.027 672 N HA 0.252 4.990 4.740 -0.003 0.000 0.309 672 N C -0.811 174.658 175.510 -0.069 0.000 1.222 672 N CA 0.420 53.422 53.050 -0.080 0.000 1.187 672 N CB -0.105 38.331 38.487 -0.085 0.000 1.458 672 N HN 0.509 nan 8.380 nan 0.000 0.535 673 L N 0.295 121.483 121.223 -0.057 0.000 2.431 673 L HA 0.249 4.587 4.340 -0.003 0.000 0.266 673 L C 1.437 178.280 176.870 -0.044 0.000 0.978 673 L CA -0.642 54.171 54.840 -0.044 0.000 0.822 673 L CB 2.614 44.660 42.059 -0.022 0.000 1.310 673 L HN 0.042 nan 8.230 nan 0.000 0.409 674 K N 1.427 121.802 120.400 -0.041 0.000 1.990 674 K HA -0.142 4.176 4.320 -0.003 0.000 0.225 674 K C 0.211 176.784 176.600 -0.044 0.000 1.053 674 K CA 1.823 58.086 56.287 -0.040 0.000 0.982 674 K CB 0.177 32.655 32.500 -0.036 0.000 0.734 674 K HN 0.650 nan 8.250 nan 0.000 0.448 675 E N -0.569 119.606 120.200 -0.042 0.000 2.352 675 E HA 0.279 4.628 4.350 -0.003 0.000 0.280 675 E C -1.987 174.589 176.600 -0.040 0.000 0.930 675 E CA -0.637 55.735 56.400 -0.047 0.000 0.765 675 E CB 2.308 31.977 29.700 -0.051 0.000 1.219 675 E HN 0.011 nan 8.360 nan 0.000 0.434 676 V N 3.988 123.881 119.914 -0.035 0.000 2.656 676 V HA 0.310 4.428 4.120 -0.003 0.000 0.307 676 V C 0.179 176.224 176.094 -0.080 0.000 1.051 676 V CA -0.687 61.604 62.300 -0.015 0.000 0.893 676 V CB 1.839 33.733 31.823 0.117 0.000 0.999 676 V HN 0.679 nan 8.190 nan 0.000 0.426 677 N N 1.933 120.545 118.700 -0.146 0.000 2.511 677 N HA 0.201 4.939 4.740 -0.003 0.000 0.190 677 N C -0.722 174.336 175.510 -0.753 0.000 1.037 677 N CA 0.958 53.762 53.050 -0.410 0.000 0.895 677 N CB 0.442 38.747 38.487 -0.303 0.000 1.149 677 N HN 0.663 nan 8.380 nan 0.000 0.437 678 Y N -0.347 119.902 120.300 -0.085 0.000 2.504 678 Y HA 0.504 5.052 4.550 -0.003 0.000 0.344 678 Y C -0.169 175.596 175.900 -0.225 0.000 1.023 678 Y CA -0.908 57.106 58.100 -0.144 0.000 1.020 678 Y CB 2.003 40.331 38.460 -0.219 0.000 1.282 678 Y HN -0.195 nan 8.280 nan 0.000 0.454 679 M N 4.281 123.806 119.600 -0.125 0.000 2.518 679 M HA 0.830 5.308 4.480 -0.003 0.000 0.300 679 M C -1.803 174.346 176.300 -0.251 0.000 1.175 679 M CA -0.559 54.550 55.300 -0.319 0.000 0.890 679 M CB 1.913 34.057 32.600 -0.759 0.000 1.710 679 M HN 0.972 nan 8.290 nan 0.000 0.453 680 C N 2.294 121.444 119.300 -0.251 0.000 2.985 680 C HA 0.853 5.311 4.460 -0.003 0.000 0.332 680 C C -2.954 171.948 174.990 -0.146 0.000 1.164 680 C CA -1.328 57.576 59.018 -0.191 0.000 1.347 680 C CB 1.524 29.116 27.740 -0.247 0.000 1.764 680 C HN 0.671 nan 8.230 nan 0.000 0.489 681 P HA 0.691 nan 4.420 nan 0.000 0.275 681 P C -0.599 176.631 177.300 -0.116 0.000 1.270 681 P CA -0.150 62.929 63.100 -0.036 0.000 0.791 681 P CB 0.519 32.245 31.700 0.042 0.000 1.089 682 L N -0.731 120.474 121.223 -0.029 0.000 2.925 682 L HA 0.518 4.857 4.340 -0.003 0.000 0.280 682 L C -0.837 176.207 176.870 0.289 0.000 0.981 682 L CA -0.326 54.501 54.840 -0.023 0.000 1.040 682 L CB 1.342 43.389 42.059 -0.020 0.000 1.614 682 L HN 0.376 nan 8.230 nan 0.000 0.353 683 N N -0.420 118.507 118.700 0.380 0.000 3.409 683 N HA -0.015 4.723 4.740 -0.003 0.000 0.152 683 N C -1.156 174.469 175.510 0.192 0.000 1.074 683 N CA 0.256 53.458 53.050 0.253 0.000 2.735 683 N CB 0.240 38.846 38.487 0.199 0.000 1.246 683 N HN 0.441 nan 8.380 nan 0.000 0.773 684 S N 0.544 116.369 115.700 0.207 0.000 2.569 684 S HA -0.006 4.463 4.470 -0.003 0.000 0.274 684 S C 1.265 175.888 174.600 0.039 0.000 1.353 684 S CA 0.366 58.650 58.200 0.140 0.000 1.023 684 S CB 0.551 63.853 63.200 0.170 0.000 0.876 684 S HN 0.373 nan 8.310 nan 0.000 0.540 685 D N 1.620 122.021 120.400 0.001 0.000 2.363 685 D HA 0.065 4.703 4.640 -0.003 0.000 0.226 685 D C 1.218 177.446 176.300 -0.121 0.000 1.020 685 D CA 0.768 54.738 54.000 -0.050 0.000 0.892 685 D CB -0.468 40.308 40.800 -0.040 0.000 0.900 685 D HN 0.530 nan 8.370 nan 0.000 0.531 686 G N -1.382 107.312 108.800 -0.175 0.000 2.781 686 G HA2 0.095 4.053 3.960 -0.003 0.000 0.208 686 G HA3 0.095 4.053 3.960 -0.003 0.000 0.208 686 G C -0.310 174.091 174.900 -0.832 0.000 1.099 686 G CA -0.313 44.515 45.100 -0.454 0.000 0.776 686 G HN 0.197 nan 8.290 nan 0.000 0.532 687 Y N 1.187 121.426 120.300 -0.102 0.000 2.541 687 Y HA 0.391 4.939 4.550 -0.003 0.000 0.350 687 Y C -2.506 173.340 175.900 -0.091 0.000 1.075 687 Y CA -2.379 55.618 58.100 -0.171 0.000 1.302 687 Y CB 1.782 40.160 38.460 -0.137 0.000 1.094 687 Y HN -0.000 nan 8.280 nan 0.000 0.579 688 P HA 0.027 nan 4.420 nan 0.000 0.307 688 P C -0.128 177.218 177.300 0.076 0.000 1.306 688 P CA -0.494 62.631 63.100 0.042 0.000 0.742 688 P CB 0.609 32.311 31.700 0.004 0.000 1.349 689 D N -0.806 119.645 120.400 0.084 0.000 7.626 689 D HA -0.083 4.555 4.640 -0.003 0.000 0.190 689 D C -0.585 175.775 176.300 0.100 0.000 1.312 689 D CA 0.774 54.832 54.000 0.097 0.000 0.932 689 D CB -1.006 39.846 40.800 0.086 0.000 1.624 689 D HN 0.388 nan 8.370 nan 0.000 0.917 690 S N 0.917 116.673 115.700 0.092 0.000 2.671 690 S HA 0.686 5.154 4.470 -0.003 0.000 0.277 690 S C -0.772 173.838 174.600 0.017 0.000 1.165 690 S CA -1.255 56.988 58.200 0.071 0.000 0.822 690 S CB 1.251 64.515 63.200 0.107 0.000 1.150 690 S HN 0.166 nan 8.310 nan 0.000 0.479 691 L N 1.168 122.369 121.223 -0.037 0.000 2.322 691 L HA 0.783 5.121 4.340 -0.003 0.000 0.281 691 L C 0.048 176.828 176.870 -0.149 0.000 1.014 691 L CA -1.076 53.693 54.840 -0.119 0.000 0.815 691 L CB 1.659 43.590 42.059 -0.213 0.000 1.247 691 L HN 0.952 nan 8.230 nan 0.000 0.421 692 A N 4.527 127.243 122.820 -0.173 0.000 2.274 692 A HA 0.755 5.073 4.320 -0.003 0.000 0.309 692 A C -0.734 176.718 177.584 -0.221 0.000 1.226 692 A CA -0.324 51.605 52.037 -0.179 0.000 0.853 692 A CB 0.417 19.317 19.000 -0.167 0.000 1.146 692 A HN 0.566 nan 8.150 nan 0.000 0.518 693 L N 2.153 123.256 121.223 -0.199 0.000 2.356 693 L HA 0.704 5.043 4.340 -0.003 0.000 0.277 693 L C 0.387 177.182 176.870 -0.125 0.000 0.996 693 L CA 0.102 54.821 54.840 -0.201 0.000 0.822 693 L CB 1.902 43.828 42.059 -0.222 0.000 1.256 693 L HN 0.783 nan 8.230 nan 0.000 0.413 694 A N 3.327 126.095 122.820 -0.086 0.000 2.337 694 A HA 0.917 5.235 4.320 -0.003 0.000 0.331 694 A C -0.624 176.947 177.584 -0.022 0.000 1.137 694 A CA -0.490 51.523 52.037 -0.039 0.000 0.807 694 A CB 1.118 20.116 19.000 -0.003 0.000 1.250 694 A HN 0.795 nan 8.150 nan 0.000 0.468 695 N N 0.564 119.248 118.700 -0.026 0.000 3.418 695 N HA 0.104 4.842 4.740 -0.003 0.000 0.316 695 N C 0.469 175.961 175.510 -0.031 0.000 1.601 695 N CA -0.576 52.454 53.050 -0.032 0.000 0.805 695 N CB 0.068 38.529 38.487 -0.043 0.000 1.873 695 N HN 0.408 nan 8.380 nan 0.000 0.615 696 N N 0.252 118.929 118.700 -0.037 0.000 2.204 696 N HA -0.253 4.485 4.740 -0.003 0.000 0.192 696 N C -0.154 175.329 175.510 -0.044 0.000 0.938 696 N CA 2.975 56.002 53.050 -0.037 0.000 0.904 696 N CB -0.462 38.005 38.487 -0.034 0.000 1.069 696 N HN 0.708 nan 8.380 nan 0.000 0.711 697 S N -2.574 113.103 115.700 -0.039 0.000 2.630 697 S HA 0.442 4.911 4.470 -0.003 0.000 0.173 697 S C -0.805 173.778 174.600 -0.028 0.000 1.048 697 S CA -0.800 57.378 58.200 -0.037 0.000 1.172 697 S CB 0.719 63.903 63.200 -0.026 0.000 1.638 697 S HN 0.165 nan 8.310 nan 0.000 0.429 698 T N 1.883 116.417 114.554 -0.033 0.000 3.343 698 T HA 0.397 4.746 4.350 -0.003 0.000 0.383 698 T C -1.681 172.995 174.700 -0.041 0.000 1.615 698 T CA -0.574 61.507 62.100 -0.031 0.000 1.153 698 T CB 1.576 70.425 68.868 -0.032 0.000 1.434 698 T HN 0.435 nan 8.240 nan 0.000 0.476 699 L N 3.179 124.376 121.223 -0.043 0.000 2.331 699 L HA 0.936 5.274 4.340 -0.003 0.000 0.275 699 L C -0.424 176.398 176.870 -0.079 0.000 1.022 699 L CA 0.169 54.971 54.840 -0.063 0.000 0.812 699 L CB 1.841 43.862 42.059 -0.063 0.000 1.257 699 L HN 0.895 nan 8.230 nan 0.000 0.435 700 T N 3.512 118.006 114.554 -0.100 0.000 2.932 700 T HA 0.660 5.009 4.350 -0.003 0.000 0.318 700 T C -0.854 173.768 174.700 -0.130 0.000 1.265 700 T CA -0.652 61.383 62.100 -0.108 0.000 1.036 700 T CB 1.511 70.330 68.868 -0.082 0.000 1.209 700 T HN 0.622 nan 8.240 nan 0.000 0.484 701 I N -1.374 119.119 120.570 -0.128 0.000 2.647 701 I HA 0.988 5.156 4.170 -0.003 0.000 0.295 701 I C -0.061 176.093 176.117 0.063 0.000 1.078 701 I CA -0.862 60.380 61.300 -0.098 0.000 1.048 701 I CB 1.227 39.090 38.000 -0.228 0.000 1.239 701 I HN 1.230 nan 8.210 nan 0.000 0.421 702 G N 2.734 111.595 108.800 0.101 0.000 2.358 702 G HA2 0.368 4.327 3.960 -0.003 0.000 0.301 702 G HA3 0.368 4.327 3.960 -0.003 0.000 0.301 702 G C -0.752 174.217 174.900 0.115 0.000 1.539 702 G CA -0.447 44.778 45.100 0.209 0.000 0.893 702 G HN 0.920 nan 8.290 nan 0.000 0.636 703 T N 0.150 114.814 114.554 0.184 0.000 2.734 703 T HA 0.502 4.851 4.350 -0.003 0.000 0.314 703 T C 0.566 175.299 174.700 0.056 0.000 1.057 703 T CA -0.201 61.983 62.100 0.139 0.000 1.047 703 T CB 0.746 69.727 68.868 0.188 0.000 0.991 703 T HN 0.434 nan 8.240 nan 0.000 0.540 704 I N 1.119 121.698 120.570 0.015 0.000 2.648 704 I HA 0.381 4.550 4.170 -0.003 0.000 0.304 704 I C 0.689 176.769 176.117 -0.062 0.000 1.009 704 I CA -0.946 60.304 61.300 -0.083 0.000 1.114 704 I CB 1.601 39.507 38.000 -0.157 0.000 1.293 704 I HN 0.656 nan 8.210 nan 0.000 0.449 705 D N 2.162 122.466 120.400 -0.160 0.000 2.249 705 D HA 0.039 4.677 4.640 -0.003 0.000 0.269 705 D C 0.685 176.901 176.300 -0.140 0.000 1.220 705 D CA -0.008 53.872 54.000 -0.201 0.000 1.016 705 D CB 0.421 41.009 40.800 -0.353 0.000 1.133 705 D HN 0.498 nan 8.370 nan 0.000 0.533 706 E N -0.621 119.488 120.200 -0.151 0.000 4.520 706 E HA 0.246 4.594 4.350 -0.003 0.000 0.569 706 E C -0.278 176.220 176.600 -0.170 0.000 1.225 706 E CA 0.495 56.859 56.400 -0.059 0.000 3.810 706 E CB 0.147 29.921 29.700 0.124 0.000 1.842 706 E HN 0.321 nan 8.360 nan 0.000 0.397 707 I N 0.641 121.065 120.570 -0.243 0.000 2.771 707 I HA 0.150 4.319 4.170 -0.003 0.000 0.268 707 I C -0.981 175.003 176.117 -0.221 0.000 1.589 707 I CA -0.120 60.979 61.300 -0.335 0.000 0.838 707 I CB 0.749 38.361 38.000 -0.648 0.000 1.551 707 I HN 0.269 nan 8.210 nan 0.000 0.545 708 Q N 1.657 121.417 119.800 -0.066 0.000 3.017 708 Q HA 0.479 4.818 4.340 -0.003 0.000 0.299 708 Q C 0.773 176.780 176.000 0.013 0.000 1.046 708 Q CA -0.962 54.848 55.803 0.012 0.000 0.821 708 Q CB 1.883 30.645 28.738 0.040 0.000 1.481 708 Q HN 0.252 nan 8.270 nan 0.000 0.494 709 K N -0.117 120.300 120.400 0.029 0.000 2.044 709 K HA 0.093 4.411 4.320 -0.003 0.000 0.204 709 K C -0.201 176.407 176.600 0.013 0.000 1.049 709 K CA 0.894 57.188 56.287 0.012 0.000 0.945 709 K CB 0.248 32.761 32.500 0.021 0.000 0.724 709 K HN 0.405 nan 8.250 nan 0.000 0.440 710 L N 1.857 123.098 121.223 0.030 0.000 2.325 710 L HA 0.288 4.626 4.340 -0.003 0.000 0.281 710 L C -0.768 176.139 176.870 0.060 0.000 1.004 710 L CA -1.115 53.746 54.840 0.035 0.000 0.823 710 L CB 1.423 43.495 42.059 0.020 0.000 1.236 710 L HN 0.186 nan 8.230 nan 0.000 0.415 711 H N 3.635 122.681 119.070 -0.041 0.000 2.582 711 H HA 0.575 5.129 4.556 -0.003 0.000 0.345 711 H C -0.898 174.398 175.328 -0.053 0.000 1.104 711 H CA 0.148 56.168 56.048 -0.046 0.000 1.390 711 H CB 0.996 30.727 29.762 -0.052 0.000 1.461 711 H HN 0.412 nan 8.280 nan 0.000 0.551 712 I N 5.444 125.755 120.570 -0.431 0.000 2.468 712 I HA 0.213 4.381 4.170 -0.003 0.000 0.285 712 I C 0.981 176.882 176.117 -0.361 0.000 1.039 712 I CA -0.477 60.648 61.300 -0.293 0.000 1.074 712 I CB 1.820 39.708 38.000 -0.186 0.000 1.228 712 I HN 0.618 nan 8.210 nan 0.000 0.436 713 R N 3.147 123.479 120.500 -0.280 0.000 2.057 713 R HA 0.045 4.384 4.340 -0.003 0.000 0.229 713 R C -0.170 175.984 176.300 -0.243 0.000 1.136 713 R CA 1.392 57.333 56.100 -0.265 0.000 0.952 713 R CB 0.180 30.310 30.300 -0.284 0.000 0.848 713 R HN 0.723 nan 8.270 nan 0.000 0.430 714 T N -0.232 114.171 114.554 -0.251 0.000 2.340 714 T HA -0.087 4.261 4.350 -0.003 0.000 0.534 714 T C -0.938 173.636 174.700 -0.210 0.000 0.845 714 T CA 0.362 62.333 62.100 -0.215 0.000 2.838 714 T CB -1.088 67.678 68.868 -0.169 0.000 1.755 714 T HN 0.064 nan 8.240 nan 0.000 0.500 715 V N 5.740 125.512 119.914 -0.237 0.000 2.277 715 V HA 0.342 4.461 4.120 -0.003 0.000 0.269 715 V C -1.557 174.430 176.094 -0.179 0.000 1.036 715 V CA -1.767 60.425 62.300 -0.180 0.000 0.821 715 V CB 1.088 32.802 31.823 -0.182 0.000 1.052 715 V HN 0.570 nan 8.190 nan 0.000 0.462 716 P HA 0.114 nan 4.420 nan 0.000 0.263 716 P C 0.368 177.400 177.300 -0.446 0.000 1.195 716 P CA 0.299 63.127 63.100 -0.454 0.000 0.762 716 P CB 1.407 32.782 31.700 -0.541 0.000 0.799 717 L N 2.613 123.560 121.223 -0.460 0.000 2.537 717 L HA 0.115 4.453 4.340 -0.003 0.000 0.224 717 L C 0.571 177.423 176.870 -0.030 0.000 1.065 717 L CA 0.114 54.857 54.840 -0.162 0.000 0.860 717 L CB -0.314 41.681 42.059 -0.106 0.000 1.086 717 L HN 0.332 nan 8.230 nan 0.000 0.482 718 Y N 0.027 120.315 120.300 -0.021 0.000 4.841 718 Y HA -0.331 4.217 4.550 -0.003 0.000 0.242 718 Y C 0.398 176.295 175.900 -0.005 0.000 1.002 718 Y CA 0.683 58.776 58.100 -0.011 0.000 2.011 718 Y CB -2.159 36.295 38.460 -0.010 0.000 1.554 718 Y HN 0.474 nan 8.280 nan 0.000 0.618 719 E N -1.639 118.591 120.200 0.050 0.000 2.439 719 E HA 0.689 5.037 4.350 -0.003 0.000 0.279 719 E C -1.007 175.560 176.600 -0.054 0.000 1.077 719 E CA -0.837 55.576 56.400 0.022 0.000 0.849 719 E CB 1.064 30.776 29.700 0.020 0.000 1.408 719 E HN -0.030 nan 8.360 nan 0.000 0.457 720 S N 1.275 116.918 115.700 -0.094 0.000 2.411 720 S HA 0.459 4.927 4.470 -0.003 0.000 0.294 720 S C -2.288 172.222 174.600 -0.151 0.000 1.115 720 S CA -1.273 56.821 58.200 -0.177 0.000 1.071 720 S CB 0.229 63.246 63.200 -0.305 0.000 0.967 720 S HN 0.381 nan 8.310 nan 0.000 0.488 721 P HA 0.433 nan 4.420 nan 0.000 0.282 721 P C -0.012 177.234 177.300 -0.089 0.000 1.249 721 P CA -0.715 62.328 63.100 -0.095 0.000 0.806 721 P CB 1.327 32.971 31.700 -0.092 0.000 0.984 722 R N 1.238 121.708 120.500 -0.051 0.000 2.167 722 R HA 0.283 4.621 4.340 -0.003 0.000 0.195 722 R C 0.555 176.852 176.300 -0.005 0.000 1.027 722 R CA 0.858 56.942 56.100 -0.026 0.000 1.114 722 R CB 0.154 30.460 30.300 0.009 0.000 1.075 722 R HN 0.486 nan 8.270 nan 0.000 0.538 723 K N 0.098 120.497 120.400 -0.000 0.000 2.495 723 K HA 0.493 4.811 4.320 -0.003 0.000 0.268 723 K C -1.015 175.585 176.600 -0.001 0.000 1.008 723 K CA -0.731 55.562 56.287 0.010 0.000 0.882 723 K CB 2.466 34.983 32.500 0.028 0.000 1.443 723 K HN -0.039 nan 8.250 nan 0.000 0.447 724 I N -0.580 120.000 120.570 0.017 0.000 2.913 724 I HA 0.468 4.636 4.170 -0.003 0.000 0.302 724 I C -1.731 174.444 176.117 0.098 0.000 1.246 724 I CA -0.483 60.838 61.300 0.035 0.000 1.010 724 I CB 1.933 39.932 38.000 -0.001 0.000 1.259 724 I HN 0.628 nan 8.210 nan 0.000 0.434 725 C N 5.407 124.802 119.300 0.158 0.000 2.716 725 C HA 0.376 4.835 4.460 -0.003 0.000 0.366 725 C C -1.237 173.961 174.990 0.346 0.000 1.073 725 C CA -0.500 58.638 59.018 0.200 0.000 1.260 725 C CB 1.178 28.952 27.740 0.057 0.000 1.755 725 C HN 0.611 nan 8.230 nan 0.000 0.475 726 Y N 3.597 124.020 120.300 0.204 0.000 2.383 726 Y HA 0.452 5.000 4.550 -0.002 0.000 0.344 726 Y C 0.273 176.198 175.900 0.041 0.000 0.986 726 Y CA 0.167 58.281 58.100 0.022 0.000 1.175 726 Y CB 0.594 39.062 38.460 0.013 0.000 1.152 726 Y HN 0.717 nan 8.280 nan 0.000 0.511 727 Q N 5.698 125.319 119.800 -0.298 0.000 2.398 727 Q HA 0.131 4.469 4.340 -0.003 0.000 0.251 727 Q C 0.829 176.358 176.000 -0.785 0.000 0.999 727 Q CA -0.240 55.360 55.803 -0.338 0.000 0.874 727 Q CB 0.853 29.569 28.738 -0.038 0.000 1.215 727 Q HN 0.875 nan 8.270 nan 0.000 0.470 728 E N 3.078 122.779 120.200 -0.831 0.000 2.072 728 E HA -0.122 4.226 4.350 -0.003 0.000 0.190 728 E C 1.335 177.732 176.600 -0.337 0.000 0.982 728 E CA 1.573 57.514 56.400 -0.764 0.000 0.803 728 E CB 0.292 29.730 29.700 -0.436 0.000 0.755 728 E HN 0.681 nan 8.360 nan 0.000 0.453 729 V N -0.819 118.945 119.914 -0.250 0.000 3.078 729 V HA -0.039 4.079 4.120 -0.003 0.000 0.265 729 V C 1.971 177.982 176.094 -0.139 0.000 1.122 729 V CA 1.514 63.718 62.300 -0.160 0.000 1.141 729 V CB -0.098 31.638 31.823 -0.146 0.000 0.735 729 V HN 0.017 nan 8.190 nan 0.000 0.498 730 S N -1.500 114.102 115.700 -0.164 0.000 2.497 730 S HA 0.131 4.600 4.470 -0.003 0.000 0.218 730 S C 0.568 175.152 174.600 -0.026 0.000 1.023 730 S CA 0.083 58.237 58.200 -0.076 0.000 0.913 730 S CB -0.031 63.137 63.200 -0.053 0.000 0.800 730 S HN 0.691 nan 8.310 nan 0.000 0.505 731 Q N -0.079 119.656 119.800 -0.109 0.000 2.464 731 Q HA -0.149 4.189 4.340 -0.003 0.000 0.286 731 Q C -0.720 175.253 176.000 -0.046 0.000 1.343 731 Q CA 0.770 56.548 55.803 -0.043 0.000 0.772 731 Q CB -2.560 26.221 28.738 0.072 0.000 1.160 731 Q HN 0.754 nan 8.270 nan 0.000 0.422 732 C N -3.065 116.166 119.300 -0.115 0.000 3.283 732 C HA 0.717 5.175 4.460 -0.003 0.000 0.359 732 C C -0.231 174.687 174.990 -0.119 0.000 1.160 732 C CA -1.409 57.536 59.018 -0.121 0.000 1.232 732 C CB 0.824 28.570 27.740 0.009 0.000 1.571 732 C HN 0.238 nan 8.230 nan 0.000 0.522 733 F N 1.559 121.574 119.950 0.110 0.000 2.396 733 F HA 0.582 5.107 4.527 -0.003 0.000 0.343 733 F C 1.285 177.012 175.800 -0.121 0.000 1.104 733 F CA 0.688 58.730 58.000 0.070 0.000 1.161 733 F CB 1.191 40.228 39.000 0.061 0.000 1.146 733 F HN 0.996 nan 8.300 nan 0.000 0.522 734 G N 1.783 110.471 108.800 -0.186 0.000 2.338 734 G HA2 0.527 4.485 3.960 -0.003 0.000 0.298 734 G HA3 0.527 4.485 3.960 -0.003 0.000 0.298 734 G C -1.420 173.367 174.900 -0.189 0.000 1.140 734 G CA -0.445 44.341 45.100 -0.523 0.000 0.860 734 G HN 0.506 nan 8.290 nan 0.000 0.470 735 V N 3.870 123.704 119.914 -0.133 0.000 2.569 735 V HA 0.283 4.401 4.120 -0.003 0.000 0.301 735 V C -0.022 176.054 176.094 -0.031 0.000 1.044 735 V CA -0.632 61.636 62.300 -0.053 0.000 0.874 735 V CB 1.657 33.468 31.823 -0.021 0.000 1.002 735 V HN 0.650 nan 8.190 nan 0.000 0.424 736 L N 5.047 126.267 121.223 -0.004 0.000 2.315 736 L HA 0.559 4.897 4.340 -0.003 0.000 0.283 736 L C 0.649 177.534 176.870 0.026 0.000 1.089 736 L CA 0.309 55.180 54.840 0.051 0.000 0.833 736 L CB 1.111 43.204 42.059 0.057 0.000 1.170 736 L HN 0.824 nan 8.230 nan 0.000 0.442 737 S N 1.628 117.347 115.700 0.031 0.000 2.715 737 S HA 0.707 5.176 4.470 -0.003 0.000 0.307 737 S C -0.279 174.248 174.600 -0.123 0.000 1.119 737 S CA -0.693 57.483 58.200 -0.039 0.000 0.937 737 S CB 2.156 65.337 63.200 -0.031 0.000 1.150 737 S HN 0.475 nan 8.310 nan 0.000 0.521 738 S N 0.700 116.270 115.700 -0.216 0.000 2.385 738 S HA 0.327 4.796 4.470 -0.003 0.000 0.191 738 S C -0.420 174.020 174.600 -0.265 0.000 1.196 738 S CA -0.889 57.041 58.200 -0.450 0.000 1.178 738 S CB -0.017 62.838 63.200 -0.575 0.000 1.258 738 S HN 1.014 nan 8.310 nan 0.000 0.430 739 R N 3.336 123.725 120.500 -0.185 0.000 2.531 739 R HA 0.674 5.013 4.340 -0.003 0.000 0.273 739 R C -0.563 175.689 176.300 -0.080 0.000 1.070 739 R CA -0.588 55.463 56.100 -0.083 0.000 1.112 739 R CB 0.512 30.791 30.300 -0.035 0.000 1.049 739 R HN 0.522 nan 8.270 nan 0.000 0.508 740 I N 1.195 121.754 120.570 -0.019 0.000 2.493 740 I HA 0.346 4.515 4.170 -0.003 0.000 0.298 740 I C 0.032 176.150 176.117 0.001 0.000 0.998 740 I CA -0.824 60.471 61.300 -0.008 0.000 1.137 740 I CB 2.017 40.028 38.000 0.017 0.000 1.310 740 I HN 0.706 nan 8.210 nan 0.000 0.445 741 E N 3.278 123.482 120.200 0.007 0.000 2.423 741 E HA 0.607 4.956 4.350 -0.003 0.000 0.269 741 E C -1.341 175.269 176.600 0.016 0.000 0.948 741 E CA -0.936 55.471 56.400 0.012 0.000 0.802 741 E CB 2.935 32.644 29.700 0.016 0.000 1.339 741 E HN 0.406 nan 8.360 nan 0.000 0.445 742 V N -1.089 118.834 119.914 0.016 0.000 2.732 742 V HA 0.381 4.500 4.120 -0.003 0.000 0.310 742 V C -0.128 175.980 176.094 0.023 0.000 1.053 742 V CA -1.050 61.261 62.300 0.017 0.000 0.957 742 V CB 1.191 33.021 31.823 0.012 0.000 1.018 742 V HN 0.772 nan 8.190 nan 0.000 0.452 743 Q N 1.267 121.081 119.800 0.025 0.000 2.474 743 Q HA 0.362 4.701 4.340 -0.003 0.000 0.256 743 Q C -0.770 175.243 176.000 0.022 0.000 1.048 743 Q CA 0.213 56.032 55.803 0.027 0.000 0.922 743 Q CB 0.603 29.357 28.738 0.028 0.000 1.288 743 Q HN 0.806 nan 8.270 nan 0.000 0.484 744 D N -0.433 119.981 120.400 0.023 0.000 2.490 744 D HA 0.160 4.798 4.640 -0.003 0.000 0.232 744 D C 0.341 176.651 176.300 0.018 0.000 1.053 744 D CA -0.146 53.865 54.000 0.019 0.000 0.914 744 D CB 1.985 42.797 40.800 0.020 0.000 1.431 744 D HN 0.754 nan 8.370 nan 0.000 0.483 745 T N -1.809 112.754 114.554 0.015 0.000 2.977 745 T HA -0.132 4.217 4.350 -0.003 0.000 0.271 745 T C 1.515 176.223 174.700 0.014 0.000 1.105 745 T CA 1.689 63.797 62.100 0.013 0.000 1.116 745 T CB -0.117 68.758 68.868 0.010 0.000 0.878 745 T HN 0.252 nan 8.240 nan 0.000 0.509 746 S N 0.138 115.848 115.700 0.016 0.000 2.470 746 S HA 0.505 4.974 4.470 -0.003 0.000 0.222 746 S C 1.929 176.541 174.600 0.020 0.000 1.024 746 S CA 0.530 58.740 58.200 0.017 0.000 0.931 746 S CB -0.162 63.049 63.200 0.017 0.000 0.791 746 S HN 1.097 nan 8.310 nan 0.000 0.513 747 G N 0.005 108.819 108.800 0.022 0.000 2.367 747 G HA2 0.057 4.016 3.960 -0.003 0.000 0.181 747 G HA3 0.057 4.016 3.960 -0.003 0.000 0.181 747 G C 0.522 175.442 174.900 0.033 0.000 1.000 747 G CA 0.019 45.135 45.100 0.026 0.000 0.693 747 G HN 0.895 nan 8.290 nan 0.000 0.480 748 G N -0.222 108.597 108.800 0.032 0.000 2.928 748 G HA2 0.676 4.634 3.960 -0.003 0.000 0.163 748 G HA3 0.676 4.634 3.960 -0.003 0.000 0.163 748 G C 0.210 175.132 174.900 0.037 0.000 1.573 748 G CA 1.056 46.179 45.100 0.037 0.000 1.084 748 G HN 1.393 nan 8.290 nan 0.000 0.569 749 T N -3.799 110.776 114.554 0.035 0.000 2.923 749 T HA 0.569 4.918 4.350 -0.003 0.000 0.311 749 T C 0.240 174.954 174.700 0.023 0.000 1.183 749 T CA 0.035 62.154 62.100 0.031 0.000 1.020 749 T CB 1.749 70.639 68.868 0.038 0.000 1.165 749 T HN 0.498 nan 8.240 nan 0.000 0.482 750 T N -0.424 114.141 114.554 0.018 0.000 3.138 750 T HA 0.758 5.106 4.350 -0.003 0.000 0.245 750 T C 0.821 175.526 174.700 0.008 0.000 0.982 750 T CA 0.310 62.417 62.100 0.012 0.000 1.134 750 T CB -0.060 68.814 68.868 0.010 0.000 1.032 750 T HN 1.796 nan 8.240 nan 0.000 0.442 751 A N -0.492 122.333 122.820 0.007 0.000 2.492 751 A HA 0.526 4.844 4.320 -0.003 0.000 0.305 751 A C -0.825 176.760 177.584 0.003 0.000 0.896 751 A CA -0.480 51.559 52.037 0.004 0.000 0.550 751 A CB -0.604 18.395 19.000 -0.001 0.000 1.464 751 A HN 0.224 nan 8.150 nan 0.000 0.494 752 L N -0.776 120.448 121.223 0.001 0.000 2.758 752 L HA 0.398 4.737 4.340 -0.003 0.000 0.234 752 L C 0.925 177.791 176.870 -0.006 0.000 1.049 752 L CA 0.882 55.722 54.840 -0.000 0.000 0.908 752 L CB 0.287 42.347 42.059 0.003 0.000 1.362 752 L HN 0.904 nan 8.230 nan 0.000 0.499 753 R N -0.763 119.732 120.500 -0.009 0.000 2.747 753 R HA 0.492 4.831 4.340 -0.003 0.000 0.272 753 R C -2.912 173.367 176.300 -0.035 0.000 1.032 753 R CA -1.498 54.586 56.100 -0.026 0.000 0.896 753 R CB 0.089 30.377 30.300 -0.021 0.000 1.253 753 R HN -0.319 nan 8.270 nan 0.000 0.461 754 P HA 0.299 nan 4.420 nan 0.000 0.273 754 P C -0.736 176.522 177.300 -0.070 0.000 1.531 754 P CA -0.361 62.696 63.100 -0.072 0.000 1.027 754 P CB 1.468 33.109 31.700 -0.099 0.000 1.387 755 S N 1.637 117.336 115.700 -0.002 0.000 2.477 755 S HA 0.427 4.895 4.470 -0.003 0.000 0.261 755 S C 1.666 176.313 174.600 0.078 0.000 1.197 755 S CA 0.086 58.327 58.200 0.067 0.000 1.015 755 S CB 0.010 63.244 63.200 0.057 0.000 1.077 755 S HN 0.449 nan 8.310 nan 0.000 0.505 756 A N 0.249 123.126 122.820 0.094 0.000 2.095 756 A HA 0.152 4.470 4.320 -0.003 0.000 0.212 756 A C 1.986 179.597 177.584 0.044 0.000 1.162 756 A CA 0.535 52.620 52.037 0.079 0.000 0.753 756 A CB -0.630 18.417 19.000 0.079 0.000 0.840 756 A HN 0.504 nan 8.150 nan 0.000 0.468 757 S N 0.069 115.787 115.700 0.030 0.000 2.453 757 S HA -0.091 4.377 4.470 -0.003 0.000 0.231 757 S C 1.955 176.560 174.600 0.008 0.000 1.005 757 S CA 1.670 59.880 58.200 0.016 0.000 0.949 757 S CB -0.240 62.964 63.200 0.008 0.000 0.774 757 S HN 0.867 nan 8.310 nan 0.000 0.510 758 T N -1.035 113.524 114.554 0.007 0.000 3.034 758 T HA 0.130 4.479 4.350 -0.003 0.000 0.248 758 T C 1.267 175.964 174.700 -0.006 0.000 1.040 758 T CA 0.144 62.242 62.100 -0.003 0.000 1.107 758 T CB -0.067 68.797 68.868 -0.007 0.000 0.932 758 T HN 0.068 nan 8.240 nan 0.000 0.474 759 Q N 1.508 121.309 119.800 0.001 0.000 2.247 759 Q HA 0.532 4.870 4.340 -0.003 0.000 0.205 759 Q C 0.605 176.610 176.000 0.009 0.000 0.896 759 Q CA -0.181 55.622 55.803 0.001 0.000 0.950 759 Q CB -0.261 28.477 28.738 -0.000 0.000 1.054 759 Q HN 0.715 nan 8.270 nan 0.000 0.482 760 A N 0.751 123.575 122.820 0.007 0.000 2.540 760 A HA 0.084 4.402 4.320 -0.003 0.000 0.239 760 A C 1.108 178.681 177.584 -0.018 0.000 1.061 760 A CA -0.085 51.953 52.037 0.003 0.000 0.758 760 A CB 0.164 19.163 19.000 -0.000 0.000 0.991 760 A HN 0.427 nan 8.150 nan 0.000 0.502 761 L N 1.733 122.949 121.223 -0.013 0.000 2.353 761 L HA -0.045 4.293 4.340 -0.003 0.000 0.220 761 L C 0.883 177.717 176.870 -0.060 0.000 1.133 761 L CA 1.319 56.148 54.840 -0.019 0.000 0.798 761 L CB -0.694 41.370 42.059 0.008 0.000 0.922 761 L HN 0.867 nan 8.230 nan 0.000 0.445 762 S N -2.108 113.515 115.700 -0.129 0.000 2.565 762 S HA 0.624 5.093 4.470 -0.003 0.000 0.274 762 S C -0.643 173.734 174.600 -0.373 0.000 1.144 762 S CA -0.608 57.458 58.200 -0.222 0.000 0.849 762 S CB 1.866 64.915 63.200 -0.251 0.000 1.103 762 S HN 0.073 nan 8.310 nan 0.000 0.455 763 S N 0.114 115.651 115.700 -0.271 0.000 2.588 763 S HA 0.956 5.424 4.470 -0.003 0.000 0.275 763 S C -0.865 173.773 174.600 0.063 0.000 1.130 763 S CA -0.461 57.675 58.200 -0.107 0.000 0.855 763 S CB 1.544 64.721 63.200 -0.039 0.000 1.116 763 S HN 1.946 nan 8.310 nan 0.000 0.472 764 S N 0.154 115.976 115.700 0.202 0.000 2.541 764 S HA 0.787 5.255 4.470 -0.003 0.000 0.271 764 S C -0.930 173.593 174.600 -0.129 0.000 1.133 764 S CA -0.748 57.532 58.200 0.133 0.000 0.876 764 S CB 1.223 64.619 63.200 0.327 0.000 1.105 764 S HN 1.190 nan 8.310 nan 0.000 0.470 765 V N 0.799 120.623 119.914 -0.151 0.000 3.193 765 V HA 0.710 4.828 4.120 -0.003 0.000 0.320 765 V C 0.398 176.324 176.094 -0.280 0.000 1.112 765 V CA -0.724 61.409 62.300 -0.278 0.000 1.026 765 V CB 2.074 33.835 31.823 -0.103 0.000 1.128 765 V HN 1.104 nan 8.190 nan 0.000 0.452 766 S N 1.271 116.845 115.700 -0.211 0.000 2.549 766 S HA 0.128 4.596 4.470 -0.003 0.000 0.283 766 S C 1.014 175.671 174.600 0.096 0.000 1.320 766 S CA 0.700 58.933 58.200 0.055 0.000 1.058 766 S CB 0.905 64.201 63.200 0.161 0.000 0.882 766 S HN 0.945 nan 8.310 nan 0.000 0.498 767 S N 3.085 118.872 115.700 0.146 0.000 2.520 767 S HA 0.188 4.656 4.470 -0.003 0.000 0.219 767 S C 0.814 175.480 174.600 0.109 0.000 1.028 767 S CA 0.008 58.276 58.200 0.114 0.000 0.921 767 S CB -0.027 63.242 63.200 0.115 0.000 0.844 767 S HN 0.693 nan 8.310 nan 0.000 0.495 768 S N 1.162 116.941 115.700 0.131 0.000 2.589 768 S HA 0.294 4.763 4.470 -0.003 0.000 0.265 768 S C 0.269 174.935 174.600 0.111 0.000 1.342 768 S CA -0.082 58.186 58.200 0.113 0.000 1.005 768 S CB 0.348 63.624 63.200 0.126 0.000 0.909 768 S HN 0.306 nan 8.310 nan 0.000 0.555 769 K N 3.357 123.801 120.400 0.073 0.000 2.792 769 K HA 0.272 4.591 4.320 -0.003 0.000 0.207 769 K C 0.640 177.246 176.600 0.011 0.000 1.103 769 K CA -0.072 56.252 56.287 0.062 0.000 1.048 769 K CB 0.035 32.559 32.500 0.042 0.000 0.777 769 K HN 0.597 nan 8.250 nan 0.000 0.468 770 L N -0.189 121.016 121.223 -0.030 0.000 2.395 770 L HA 0.104 4.442 4.340 -0.003 0.000 0.218 770 L C 0.199 176.760 176.870 -0.515 0.000 1.130 770 L CA 1.069 55.728 54.840 -0.301 0.000 0.826 770 L CB -0.068 41.713 42.059 -0.464 0.000 0.941 770 L HN 0.031 nan 8.230 nan 0.000 0.451 771 F N -2.058 117.922 119.950 0.050 0.000 2.561 771 F HA 0.348 4.874 4.527 -0.001 0.000 0.321 771 F C 0.662 176.490 175.800 0.046 0.000 1.065 771 F CA -0.514 57.517 58.000 0.052 0.000 0.934 771 F CB 1.906 40.950 39.000 0.073 0.000 1.215 771 F HN -0.476 nan 8.300 nan 0.000 0.471 772 S N 0.516 116.351 115.700 0.225 0.000 2.865 772 S HA 0.134 4.602 4.470 -0.003 0.000 0.240 772 S C -0.461 174.191 174.600 0.087 0.000 0.795 772 S CA -0.234 58.041 58.200 0.124 0.000 1.073 772 S CB -0.286 62.958 63.200 0.073 0.000 1.393 772 S HN 0.718 nan 8.310 nan 0.000 0.491 784 E N 0.613 120.826 120.200 0.021 0.000 2.224 784 E HA 0.401 4.749 4.350 -0.003 0.000 0.265 784 E C -0.696 175.923 176.600 0.032 0.000 0.878 784 E CA -0.613 55.804 56.400 0.029 0.000 0.759 784 E CB 2.366 32.087 29.700 0.035 0.000 1.164 784 E HN 0.330 nan 8.360 nan 0.000 0.414 785 E N 1.386 121.607 120.200 0.035 0.000 2.231 785 E HA 0.510 4.858 4.350 -0.003 0.000 0.277 785 E C -1.306 175.329 176.600 0.059 0.000 0.999 785 E CA -0.749 55.672 56.400 0.036 0.000 0.827 785 E CB 2.352 32.067 29.700 0.025 0.000 1.101 785 E HN 0.089 nan 8.360 nan 0.000 0.393 786 V N 3.225 123.175 119.914 0.059 0.000 2.655 786 V HA 0.118 4.236 4.120 -0.003 0.000 0.301 786 V C -1.081 175.045 176.094 0.053 0.000 1.082 786 V CA -0.598 61.754 62.300 0.086 0.000 0.899 786 V CB 1.826 33.714 31.823 0.110 0.000 1.014 786 V HN 0.680 nan 8.190 nan 0.000 0.429 787 E N 3.911 124.126 120.200 0.025 0.000 2.465 787 E HA 0.269 4.618 4.350 -0.003 0.000 0.260 787 E C -0.779 175.783 176.600 -0.063 0.000 0.980 787 E CA 0.146 56.475 56.400 -0.118 0.000 0.927 787 E CB 1.433 30.931 29.700 -0.337 0.000 0.934 787 E HN 0.516 nan 8.360 nan 0.000 0.459 788 V N 4.571 124.421 119.914 -0.107 0.000 2.555 788 V HA 0.240 4.359 4.120 -0.003 0.000 0.302 788 V C -0.176 175.855 176.094 -0.104 0.000 1.038 788 V CA -0.679 61.627 62.300 0.009 0.000 0.887 788 V CB 1.583 33.419 31.823 0.021 0.000 0.991 788 V HN 0.652 nan 8.190 nan 0.000 0.434 789 H N 3.434 122.529 119.070 0.041 0.000 2.670 789 H HA 0.589 5.144 4.556 -0.002 0.000 0.361 789 H C -0.946 174.550 175.328 0.280 0.000 1.169 789 H CA -0.838 55.279 56.048 0.115 0.000 1.198 789 H CB 2.429 32.243 29.762 0.087 0.000 1.700 789 H HN 0.566 nan 8.280 nan 0.000 0.542 790 N N 1.301 120.229 118.700 0.379 0.000 2.367 790 N HA 0.077 4.815 4.740 -0.003 0.000 0.278 790 N C -1.524 174.141 175.510 0.258 0.000 1.117 790 N CA -0.707 52.488 53.050 0.241 0.000 0.867 790 N CB 3.093 41.621 38.487 0.069 0.000 1.649 790 N HN 0.269 nan 8.380 nan 0.000 0.479 791 L N 2.621 123.905 121.223 0.103 0.000 2.260 791 L HA 0.500 4.838 4.340 -0.003 0.000 0.289 791 L C -0.991 175.819 176.870 -0.101 0.000 1.057 791 L CA -0.141 54.684 54.840 -0.025 0.000 0.811 791 L CB 0.142 42.059 42.059 -0.237 0.000 1.184 791 L HN 0.387 nan 8.230 nan 0.000 0.429 792 L N 6.187 127.368 121.223 -0.070 0.000 2.295 792 L HA 0.481 4.820 4.340 -0.003 0.000 0.285 792 L C -0.478 176.333 176.870 -0.098 0.000 1.035 792 L CA -0.706 54.105 54.840 -0.049 0.000 0.806 792 L CB 1.555 43.610 42.059 -0.006 0.000 1.214 792 L HN 0.441 nan 8.230 nan 0.000 0.426 793 I N 4.594 125.108 120.570 -0.093 0.000 2.328 793 I HA 0.339 4.507 4.170 -0.003 0.000 0.287 793 I C -0.191 175.900 176.117 -0.044 0.000 1.012 793 I CA -0.383 60.827 61.300 -0.151 0.000 1.195 793 I CB 1.350 39.105 38.000 -0.409 0.000 1.350 793 I HN 0.412 nan 8.210 nan 0.000 0.464 794 I N 5.326 125.913 120.570 0.028 0.000 2.330 794 I HA 0.192 4.360 4.170 -0.003 0.000 0.289 794 I C 0.596 176.739 176.117 0.043 0.000 1.001 794 I CA -0.281 61.071 61.300 0.087 0.000 1.193 794 I CB 0.938 39.049 38.000 0.186 0.000 1.345 794 I HN 0.436 nan 8.210 nan 0.000 0.461 795 D N 5.226 125.626 120.400 0.000 0.000 2.488 795 D HA -0.065 4.573 4.640 -0.003 0.000 0.238 795 D C 1.035 177.157 176.300 -0.296 0.000 1.138 795 D CA 0.252 54.224 54.000 -0.047 0.000 0.873 795 D CB 1.105 41.923 40.800 0.030 0.000 1.183 795 D HN 0.724 nan 8.370 nan 0.000 0.458 796 Q N 3.344 122.923 119.800 -0.369 0.000 2.311 796 Q HA -0.122 4.217 4.340 -0.003 0.000 0.203 796 Q C 0.913 176.466 176.000 -0.744 0.000 0.954 796 Q CA 1.055 56.462 55.803 -0.661 0.000 0.885 796 Q CB 0.045 28.465 28.738 -0.530 0.000 0.963 796 Q HN 0.578 nan 8.270 nan 0.000 0.471 797 H N 0.849 119.778 119.070 -0.235 0.000 2.388 797 H HA 0.042 4.596 4.556 -0.003 0.000 0.304 797 H C 1.979 177.324 175.328 0.029 0.000 1.049 797 H CA 1.912 57.930 56.048 -0.050 0.000 1.371 797 H CB 0.236 29.996 29.762 -0.003 0.000 1.436 797 H HN 0.549 nan 8.280 nan 0.000 0.544 798 T N -2.060 112.561 114.554 0.113 0.000 3.051 798 T HA 0.005 4.354 4.350 -0.003 0.000 0.255 798 T C 0.727 175.580 174.700 0.256 0.000 1.085 798 T CA -0.179 62.021 62.100 0.166 0.000 1.109 798 T CB -0.481 68.460 68.868 0.122 0.000 0.921 798 T HN 0.185 nan 8.240 nan 0.000 0.488 799 F N 1.799 121.817 119.950 0.113 0.000 3.097 799 F HA -0.183 4.342 4.527 -0.003 0.000 0.278 799 F C 0.566 176.410 175.800 0.073 0.000 0.917 799 F CA 0.372 58.425 58.000 0.088 0.000 0.962 799 F CB -2.088 36.938 39.000 0.045 0.000 0.964 799 F HN 0.356 nan 8.300 nan 0.000 0.668 800 E N -0.365 119.931 120.200 0.159 0.000 2.345 800 E HA 0.416 4.764 4.350 -0.003 0.000 0.259 800 E C -0.032 176.629 176.600 0.101 0.000 1.117 800 E CA -0.561 55.912 56.400 0.121 0.000 0.913 800 E CB 1.466 31.224 29.700 0.096 0.000 1.057 800 E HN 0.013 nan 8.360 nan 0.000 0.432 801 V N 3.987 123.953 119.914 0.087 0.000 2.258 801 V HA 0.044 4.162 4.120 -0.003 0.000 0.258 801 V C 1.271 177.405 176.094 0.066 0.000 1.121 801 V CA -0.004 62.339 62.300 0.072 0.000 0.942 801 V CB -0.386 31.475 31.823 0.065 0.000 1.170 801 V HN 0.632 nan 8.190 nan 0.000 0.487 802 L N 1.417 122.687 121.223 0.080 0.000 2.127 802 L HA 0.018 4.356 4.340 -0.003 0.000 0.211 802 L C 1.022 177.977 176.870 0.142 0.000 1.089 802 L CA 1.443 56.354 54.840 0.118 0.000 0.757 802 L CB -0.296 41.870 42.059 0.180 0.000 0.899 802 L HN 0.616 nan 8.230 nan 0.000 0.434 803 H N -1.079 117.997 119.070 0.010 0.000 3.079 803 H HA 0.597 5.152 4.556 -0.002 0.000 0.356 803 H C -1.657 173.649 175.328 -0.037 0.000 1.221 803 H CA -0.651 55.402 56.048 0.008 0.000 1.185 803 H CB 2.191 31.971 29.762 0.030 0.000 1.882 803 H HN -0.130 nan 8.280 nan 0.000 0.543 804 A N 3.398 126.459 122.820 0.401 0.000 2.745 804 A HA 0.256 4.574 4.320 -0.003 0.000 0.301 804 A C -1.326 176.362 177.584 0.173 0.000 1.188 804 A CA -0.561 51.584 52.037 0.181 0.000 0.746 804 A CB -0.200 18.839 19.000 0.065 0.000 1.207 804 A HN 0.747 nan 8.150 nan 0.000 0.432 805 H N 1.372 120.378 119.070 -0.108 0.000 2.690 805 H HA 0.418 4.972 4.556 -0.003 0.000 0.314 805 H C 0.190 175.310 175.328 -0.348 0.000 1.069 805 H CA 0.527 56.415 56.048 -0.267 0.000 1.436 805 H CB 0.727 30.129 29.762 -0.600 0.000 1.462 805 H HN 0.662 nan 8.280 nan 0.000 0.511 806 Q N 5.622 125.065 119.800 -0.595 0.000 2.340 806 Q HA 0.207 4.546 4.340 -0.003 0.000 0.259 806 Q C -0.839 174.945 176.000 -0.360 0.000 0.964 806 Q CA -0.750 54.849 55.803 -0.340 0.000 0.900 806 Q CB 0.526 29.172 28.738 -0.154 0.000 1.228 806 Q HN 0.582 nan 8.270 nan 0.000 0.449 807 F N 1.999 122.006 119.950 0.095 0.000 2.480 807 F HA 0.093 4.619 4.527 -0.003 0.000 0.319 807 F C 0.872 176.735 175.800 0.105 0.000 1.230 807 F CA -0.393 57.709 58.000 0.169 0.000 1.285 807 F CB 0.347 39.466 39.000 0.200 0.000 1.208 807 F HN 0.415 nan 8.300 nan 0.000 0.579 808 L N 0.505 121.923 121.223 0.326 0.000 2.473 808 L HA 0.013 4.351 4.340 -0.003 0.000 0.265 808 L C 0.476 177.446 176.870 0.167 0.000 1.243 808 L CA -0.105 54.853 54.840 0.198 0.000 0.822 808 L CB 0.053 42.221 42.059 0.181 0.000 1.101 808 L HN 0.557 nan 8.230 nan 0.000 0.507 809 Q N 1.153 121.034 119.800 0.135 0.000 2.304 809 Q HA -0.107 4.231 4.340 -0.003 0.000 0.301 809 Q C 0.334 176.405 176.000 0.118 0.000 1.063 809 Q CA 0.269 56.150 55.803 0.131 0.000 0.947 809 Q CB 0.243 29.055 28.738 0.123 0.000 1.201 809 Q HN 0.566 nan 8.270 nan 0.000 0.389 810 N N 1.307 120.093 118.700 0.143 0.000 2.765 810 N HA -0.256 4.482 4.740 -0.003 0.000 0.248 810 N C -0.893 174.587 175.510 -0.049 0.000 1.063 810 N CA 1.593 54.690 53.050 0.080 0.000 0.862 810 N CB -0.705 37.772 38.487 -0.017 0.000 1.145 810 N HN 0.736 nan 8.380 nan 0.000 0.581 811 E N 0.189 120.418 120.200 0.048 0.000 2.146 811 E HA 0.216 4.565 4.350 -0.003 0.000 0.282 811 E C -0.770 175.844 176.600 0.023 0.000 0.989 811 E CA -0.373 56.002 56.400 -0.042 0.000 0.799 811 E CB 0.518 30.211 29.700 -0.012 0.000 1.088 811 E HN 0.175 nan 8.360 nan 0.000 0.397 812 Y N 1.974 121.928 120.300 -0.577 0.000 2.361 812 Y HA 0.537 5.085 4.550 -0.002 0.000 0.332 812 Y C 0.370 175.840 175.900 -0.717 0.000 1.101 812 Y CA -1.593 55.850 58.100 -1.096 0.000 1.137 812 Y CB 1.763 39.713 38.460 -0.850 0.000 1.207 812 Y HN 0.539 nan 8.280 nan 0.000 0.463 813 A N 3.633 126.142 122.820 -0.519 0.000 2.292 813 A HA 0.554 4.872 4.320 -0.003 0.000 0.319 813 A C -0.237 177.222 177.584 -0.209 0.000 1.206 813 A CA -0.485 51.276 52.037 -0.460 0.000 0.835 813 A CB 0.494 19.061 19.000 -0.722 0.000 1.164 813 A HN 0.981 nan 8.150 nan 0.000 0.505 814 L N 1.704 122.815 121.223 -0.186 0.000 2.858 814 L HA 0.220 4.558 4.340 -0.003 0.000 0.251 814 L C 0.305 177.152 176.870 -0.038 0.000 1.149 814 L CA 0.567 55.348 54.840 -0.099 0.000 0.955 814 L CB 0.443 42.401 42.059 -0.168 0.000 1.289 814 L HN 0.789 nan 8.230 nan 0.000 0.542 815 S N -0.388 115.285 115.700 -0.044 0.000 2.567 815 S HA 0.744 5.212 4.470 -0.003 0.000 0.270 815 S C -1.397 173.208 174.600 0.008 0.000 1.152 815 S CA -0.734 57.466 58.200 0.000 0.000 0.835 815 S CB 2.580 65.782 63.200 0.002 0.000 1.115 815 S HN -0.069 nan 8.310 nan 0.000 0.459 816 L N 1.351 122.593 121.223 0.032 0.000 2.543 816 L HA 0.776 5.114 4.340 -0.003 0.000 0.265 816 L C -1.737 175.172 176.870 0.065 0.000 0.945 816 L CA -0.264 54.599 54.840 0.039 0.000 0.869 816 L CB 1.786 43.847 42.059 0.003 0.000 1.294 816 L HN 0.826 nan 8.230 nan 0.000 0.405 817 V N 1.761 121.731 119.914 0.093 0.000 2.914 817 V HA 0.814 4.933 4.120 -0.003 0.000 0.314 817 V C -0.299 175.921 176.094 0.210 0.000 1.084 817 V CA -0.741 61.631 62.300 0.121 0.000 0.963 817 V CB 1.828 33.705 31.823 0.090 0.000 1.025 817 V HN 0.776 nan 8.190 nan 0.000 0.432 818 S N 1.942 117.773 115.700 0.219 0.000 2.596 818 S HA 0.755 5.224 4.470 -0.003 0.000 0.318 818 S C -0.560 174.106 174.600 0.111 0.000 1.097 818 S CA -0.341 58.018 58.200 0.265 0.000 1.080 818 S CB 0.290 63.701 63.200 0.351 0.000 0.991 818 S HN 1.303 nan 8.310 nan 0.000 0.471 819 C N 2.898 122.239 119.300 0.068 0.000 3.318 819 C HA 0.662 5.121 4.460 -0.003 0.000 0.322 819 C C -1.021 173.972 174.990 0.004 0.000 1.398 819 C CA -1.243 57.790 59.018 0.025 0.000 1.339 819 C CB 0.825 28.583 27.740 0.031 0.000 1.668 819 C HN 0.764 nan 8.230 nan 0.000 0.462 820 K N 1.008 121.406 120.400 -0.003 0.000 2.227 820 K HA 0.676 4.995 4.320 -0.003 0.000 0.280 820 K C -1.067 175.544 176.600 0.019 0.000 1.041 820 K CA -0.123 56.172 56.287 0.013 0.000 0.905 820 K CB 1.075 33.578 32.500 0.006 0.000 1.068 820 K HN 0.556 nan 8.250 nan 0.000 0.470 821 L N 1.897 123.119 121.223 -0.002 0.000 2.334 821 L HA 0.362 4.700 4.340 -0.003 0.000 0.273 821 L C 1.089 178.071 176.870 0.185 0.000 1.013 821 L CA -0.104 54.705 54.840 -0.052 0.000 0.816 821 L CB 1.616 43.394 42.059 -0.468 0.000 1.278 821 L HN 0.979 nan 8.230 nan 0.000 0.431 822 G N 2.455 111.393 108.800 0.231 0.000 2.634 822 G HA2 -0.380 3.578 3.960 -0.003 0.000 0.309 822 G HA3 -0.380 3.578 3.960 -0.003 0.000 0.309 822 G C 0.388 175.407 174.900 0.199 0.000 1.265 822 G CA 0.508 45.769 45.100 0.268 0.000 0.998 822 G HN 0.630 nan 8.290 nan 0.000 0.551 823 K N 1.119 121.637 120.400 0.197 0.000 2.440 823 K HA 0.275 4.593 4.320 -0.003 0.000 0.206 823 K C 0.304 176.999 176.600 0.157 0.000 1.025 823 K CA 0.129 56.497 56.287 0.136 0.000 1.135 823 K CB 0.394 32.946 32.500 0.087 0.000 0.856 823 K HN 0.455 nan 8.250 nan 0.000 0.502 824 D N 1.096 121.656 120.400 0.266 0.000 2.383 824 D HA 0.008 4.647 4.640 -0.003 0.000 0.252 824 D C -1.535 174.864 176.300 0.164 0.000 1.166 824 D CA -1.477 52.700 54.000 0.294 0.000 0.879 824 D CB 1.424 42.593 40.800 0.614 0.000 1.164 824 D HN 0.010 nan 8.370 nan 0.000 0.462 825 P HA -0.061 nan 4.420 nan 0.000 0.222 825 P C -0.219 177.047 177.300 -0.057 0.000 1.153 825 P CA 0.331 63.440 63.100 0.016 0.000 0.798 825 P CB 0.321 32.025 31.700 0.006 0.000 0.796 826 N N 0.250 118.884 118.700 -0.110 0.000 2.508 826 N HA 0.142 4.881 4.740 -0.003 0.000 0.264 826 N C -0.036 175.195 175.510 -0.464 0.000 1.216 826 N CA 0.455 53.304 53.050 -0.335 0.000 0.943 826 N CB -0.343 37.823 38.487 -0.536 0.000 1.113 826 N HN -0.107 nan 8.380 nan 0.000 0.447 827 T N 1.391 115.662 114.554 -0.471 0.000 2.795 827 T HA 0.372 4.721 4.350 -0.003 0.000 0.282 827 T C -0.415 173.953 174.700 -0.553 0.000 0.980 827 T CA -0.218 61.645 62.100 -0.395 0.000 1.012 827 T CB 0.113 68.824 68.868 -0.261 0.000 0.936 827 T HN 0.236 nan 8.240 nan 0.000 0.457 828 Y N 0.879 121.062 120.300 -0.195 0.000 2.596 828 Y HA 0.645 5.194 4.550 -0.001 0.000 0.326 828 Y C -0.242 175.575 175.900 -0.139 0.000 1.167 828 Y CA -1.410 56.577 58.100 -0.189 0.000 1.246 828 Y CB 1.031 39.388 38.460 -0.172 0.000 1.347 828 Y HN 0.447 nan 8.280 nan 0.000 0.515 829 F N 1.733 121.821 119.950 0.231 0.000 2.449 829 F HA 0.505 5.030 4.527 -0.003 0.000 0.342 829 F C -0.714 175.198 175.800 0.186 0.000 1.127 829 F CA -1.586 56.518 58.000 0.174 0.000 0.975 829 F CB 0.866 39.966 39.000 0.167 0.000 1.146 829 F HN 0.124 nan 8.300 nan 0.000 0.444 830 I N 3.962 124.712 120.570 0.300 0.000 2.406 830 I HA 0.527 4.695 4.170 -0.003 0.000 0.290 830 I C -0.867 175.327 176.117 0.129 0.000 0.999 830 I CA -0.771 60.606 61.300 0.127 0.000 1.124 830 I CB 1.955 39.938 38.000 -0.029 0.000 1.289 830 I HN 0.126 nan 8.210 nan 0.000 0.441 831 V N 5.118 125.110 119.914 0.130 0.000 2.409 831 V HA 0.548 4.666 4.120 -0.003 0.000 0.290 831 V C 0.502 176.583 176.094 -0.023 0.000 1.017 831 V CA -0.631 61.731 62.300 0.103 0.000 0.841 831 V CB 1.462 33.473 31.823 0.313 0.000 1.003 831 V HN 0.886 nan 8.190 nan 0.000 0.426 832 G N 3.108 111.865 108.800 -0.071 0.000 2.390 832 G HA2 0.583 4.541 3.960 -0.003 0.000 0.270 832 G HA3 0.583 4.541 3.960 -0.003 0.000 0.270 832 G C 0.225 175.014 174.900 -0.184 0.000 1.211 832 G CA 0.447 45.478 45.100 -0.115 0.000 0.842 832 G HN 0.773 nan 8.290 nan 0.000 0.519 833 T N -1.343 113.091 114.554 -0.200 0.000 2.644 833 T HA 0.881 5.229 4.350 -0.003 0.000 0.253 833 T C -0.136 174.401 174.700 -0.273 0.000 0.910 833 T CA -0.261 61.674 62.100 -0.274 0.000 1.066 833 T CB 1.718 70.412 68.868 -0.290 0.000 1.484 833 T HN 2.066 nan 8.240 nan 0.000 0.560 834 A N 0.204 122.843 122.820 -0.303 0.000 2.586 834 A HA 0.540 4.858 4.320 -0.003 0.000 0.298 834 A C -1.409 175.922 177.584 -0.423 0.000 1.013 834 A CA -0.978 50.854 52.037 -0.342 0.000 0.707 834 A CB 0.786 19.553 19.000 -0.388 0.000 1.276 834 A HN 0.736 nan 8.150 nan 0.000 0.414 835 M N 1.953 121.267 119.600 -0.476 0.000 2.180 835 M HA 0.523 5.002 4.480 -0.003 0.000 0.350 835 M C -0.618 175.175 176.300 -0.845 0.000 1.125 835 M CA -0.650 54.266 55.300 -0.641 0.000 1.031 835 M CB 0.801 33.051 32.600 -0.583 0.000 1.623 835 M HN 0.418 nan 8.290 nan 0.000 0.451 836 V N 5.196 124.460 119.914 -1.084 0.000 2.448 836 V HA 0.531 4.649 4.120 -0.003 0.000 0.295 836 V C -1.282 174.243 176.094 -0.948 0.000 1.025 836 V CA -0.534 61.191 62.300 -0.959 0.000 0.859 836 V CB 1.389 32.493 31.823 -1.199 0.000 0.988 836 V HN 0.751 nan 8.190 nan 0.000 0.431 837 Y N 4.429 124.636 120.300 -0.156 0.000 2.396 837 Y HA 0.403 4.951 4.550 -0.004 0.000 0.332 837 Y C -2.116 173.754 175.900 -0.049 0.000 1.034 837 Y CA -2.261 55.793 58.100 -0.076 0.000 1.057 837 Y CB 1.960 40.385 38.460 -0.058 0.000 1.220 837 Y HN 0.427 nan 8.280 nan 0.000 0.440 838 P HA -0.115 nan 4.420 nan 0.000 0.242 838 P C 0.634 177.973 177.300 0.064 0.000 1.198 838 P CA 1.047 64.189 63.100 0.069 0.000 0.756 838 P CB 0.320 32.062 31.700 0.070 0.000 0.911 839 E N 0.729 120.976 120.200 0.078 0.000 2.057 839 E HA -0.073 4.275 4.350 -0.003 0.000 0.190 839 E C 0.495 177.123 176.600 0.047 0.000 0.969 839 E CA 0.668 57.100 56.400 0.052 0.000 0.812 839 E CB -0.769 28.953 29.700 0.038 0.000 0.777 839 E HN 0.448 nan 8.360 nan 0.000 0.455 840 E N 1.231 121.468 120.200 0.061 0.000 2.194 840 E HA 0.519 4.868 4.350 -0.003 0.000 0.284 840 E C 0.425 177.041 176.600 0.027 0.000 1.035 840 E CA 0.071 56.498 56.400 0.045 0.000 0.836 840 E CB 1.687 31.422 29.700 0.058 0.000 1.070 840 E HN 0.146 nan 8.360 nan 0.000 0.401 841 A N 4.431 127.265 122.820 0.023 0.000 1.972 841 A HA -0.180 4.138 4.320 -0.003 0.000 0.219 841 A C 0.768 178.360 177.584 0.014 0.000 1.169 841 A CA 1.384 53.434 52.037 0.021 0.000 0.635 841 A CB -0.495 18.521 19.000 0.026 0.000 0.810 841 A HN 0.830 nan 8.150 nan 0.000 0.446 842 E N -0.428 119.779 120.200 0.012 0.000 2.317 842 E HA 0.581 4.929 4.350 -0.003 0.000 0.270 842 E C -3.220 173.375 176.600 -0.008 0.000 0.885 842 E CA -2.671 53.735 56.400 0.010 0.000 0.760 842 E CB 1.828 31.548 29.700 0.032 0.000 1.227 842 E HN 0.049 nan 8.360 nan 0.000 0.434 843 P HA 0.135 nan 4.420 nan 0.000 0.288 843 P C -0.537 176.744 177.300 -0.032 0.000 1.267 843 P CA -0.679 62.378 63.100 -0.071 0.000 0.815 843 P CB 0.961 32.554 31.700 -0.178 0.000 0.989 844 K N 2.246 122.645 120.400 -0.002 0.000 2.699 844 K HA 0.294 4.612 4.320 -0.003 0.000 0.210 844 K C -0.123 176.507 176.600 0.050 0.000 1.076 844 K CA -0.235 56.068 56.287 0.027 0.000 1.109 844 K CB 0.643 33.167 32.500 0.040 0.000 0.862 844 K HN 0.455 nan 8.250 nan 0.000 0.470 845 Q N -0.534 119.271 119.800 0.008 0.000 2.626 845 Q HA 0.661 5.000 4.340 -0.003 0.000 0.300 845 Q C -1.116 174.855 176.000 -0.048 0.000 0.988 845 Q CA -0.906 54.919 55.803 0.037 0.000 0.761 845 Q CB 2.547 31.259 28.738 -0.043 0.000 1.494 845 Q HN 0.420 nan 8.270 nan 0.000 0.439 846 G N 0.672 109.485 108.800 0.021 0.000 2.316 846 G HA2 0.137 4.095 3.960 -0.003 0.000 0.468 846 G HA3 0.137 4.095 3.960 -0.003 0.000 0.468 846 G C -1.860 173.149 174.900 0.182 0.000 1.523 846 G CA -1.062 44.024 45.100 -0.023 0.000 0.972 846 G HN 0.517 nan 8.290 nan 0.000 0.667 847 R N -0.003 120.569 120.500 0.121 0.000 2.740 847 R HA 0.792 5.131 4.340 -0.003 0.000 0.282 847 R C -0.552 175.750 176.300 0.003 0.000 0.969 847 R CA -1.116 55.059 56.100 0.126 0.000 0.918 847 R CB 2.185 32.615 30.300 0.217 0.000 1.175 847 R HN 0.375 nan 8.270 nan 0.000 0.464 848 I N 2.775 123.321 120.570 -0.040 0.000 2.307 848 I HA 0.223 4.391 4.170 -0.003 0.000 0.289 848 I C -0.434 175.614 176.117 -0.116 0.000 1.021 848 I CA -1.015 60.219 61.300 -0.110 0.000 1.224 848 I CB 1.694 39.564 38.000 -0.217 0.000 1.376 848 I HN 0.315 nan 8.210 nan 0.000 0.470 849 V N 7.086 126.933 119.914 -0.112 0.000 2.532 849 V HA 0.327 4.445 4.120 -0.003 0.000 0.295 849 V C 0.144 176.057 176.094 -0.301 0.000 1.041 849 V CA -0.719 61.438 62.300 -0.238 0.000 0.926 849 V CB 1.935 33.555 31.823 -0.337 0.000 0.992 849 V HN 0.399 nan 8.190 nan 0.000 0.457 850 V N 4.646 124.336 119.914 -0.374 0.000 2.220 850 V HA 0.384 4.503 4.120 -0.003 0.000 0.265 850 V C -0.242 175.718 176.094 -0.223 0.000 1.078 850 V CA -0.355 61.758 62.300 -0.312 0.000 0.872 850 V CB -0.391 31.166 31.823 -0.443 0.000 1.121 850 V HN 0.617 nan 8.190 nan 0.000 0.460 851 F N 1.896 121.888 119.950 0.071 0.000 2.450 851 F HA 0.435 4.961 4.527 -0.001 0.000 0.339 851 F C 0.719 176.655 175.800 0.226 0.000 1.146 851 F CA 0.245 58.313 58.000 0.114 0.000 1.267 851 F CB 0.665 39.731 39.000 0.110 0.000 1.178 851 F HN 0.348 nan 8.300 nan 0.000 0.585 852 Q N 2.226 122.256 119.800 0.382 0.000 2.285 852 Q HA 0.222 4.560 4.340 -0.003 0.000 0.269 852 Q C -2.029 174.056 176.000 0.141 0.000 1.030 852 Q CA -0.866 55.051 55.803 0.189 0.000 0.788 852 Q CB 1.716 30.564 28.738 0.183 0.000 1.266 852 Q HN 0.670 nan 8.270 nan 0.000 0.438 853 Y N 2.281 122.483 120.300 -0.163 0.000 2.326 853 Y HA 0.318 4.866 4.550 -0.003 0.000 0.337 853 Y C -0.026 175.803 175.900 -0.120 0.000 1.023 853 Y CA 0.220 58.251 58.100 -0.115 0.000 1.143 853 Y CB 1.227 39.612 38.460 -0.126 0.000 1.183 853 Y HN 0.675 nan 8.280 nan 0.000 0.485 854 S N 3.183 118.670 115.700 -0.355 0.000 3.757 854 S HA 0.082 4.550 4.470 -0.003 0.000 0.190 854 S C 0.590 174.973 174.600 -0.361 0.000 0.948 854 S CA 0.175 58.205 58.200 -0.283 0.000 1.592 854 S CB -0.046 63.048 63.200 -0.176 0.000 0.656 854 S HN 0.726 nan 8.310 nan 0.000 0.640 855 D N 1.515 121.746 120.400 -0.281 0.000 2.087 855 D HA 0.170 4.808 4.640 -0.003 0.000 0.203 855 D C 1.176 177.272 176.300 -0.341 0.000 0.976 855 D CA 1.350 55.212 54.000 -0.230 0.000 0.865 855 D CB -0.355 40.363 40.800 -0.136 0.000 1.005 855 D HN 0.540 nan 8.370 nan 0.000 0.449 856 G N -0.416 108.200 108.800 -0.306 0.000 4.959 856 G HA2 0.327 4.285 3.960 -0.003 0.000 0.297 856 G HA3 0.327 4.285 3.960 -0.003 0.000 0.297 856 G C -0.670 174.089 174.900 -0.235 0.000 1.351 856 G CA -0.485 44.436 45.100 -0.299 0.000 1.016 856 G HN -0.014 nan 8.290 nan 0.000 0.592 857 K N 1.144 121.276 120.400 -0.446 0.000 2.507 857 K HA 0.389 4.707 4.320 -0.003 0.000 0.252 857 K C -1.453 175.150 176.600 0.005 0.000 0.943 857 K CA -0.884 55.342 56.287 -0.102 0.000 0.808 857 K CB 2.871 35.329 32.500 -0.071 0.000 1.142 857 K HN 0.057 nan 8.250 nan 0.000 0.426 858 L N 3.833 125.203 121.223 0.244 0.000 2.277 858 L HA 0.308 4.646 4.340 -0.003 0.000 0.284 858 L C -0.870 176.103 176.870 0.173 0.000 1.028 858 L CA -0.124 54.840 54.840 0.207 0.000 0.835 858 L CB 1.232 43.166 42.059 -0.208 0.000 1.215 858 L HN 0.802 nan 8.230 nan 0.000 0.425 859 Q N 2.758 122.677 119.800 0.199 0.000 2.307 859 Q HA 0.340 4.679 4.340 -0.003 0.000 0.262 859 Q C -0.723 175.406 176.000 0.215 0.000 0.961 859 Q CA -0.583 55.330 55.803 0.184 0.000 0.882 859 Q CB 1.519 30.340 28.738 0.138 0.000 1.264 859 Q HN 0.651 nan 8.270 nan 0.000 0.446 860 T N 3.846 118.492 114.554 0.154 0.000 2.848 860 T HA 0.083 4.431 4.350 -0.003 0.000 0.283 860 T C 1.051 175.752 174.700 0.001 0.000 0.919 860 T CA -0.307 61.791 62.100 -0.003 0.000 1.071 860 T CB 0.513 69.376 68.868 -0.010 0.000 0.912 860 T HN 0.463 nan 8.240 nan 0.000 0.570 861 V N 1.647 121.560 119.914 -0.003 0.000 2.535 861 V HA 0.343 4.461 4.120 -0.003 0.000 0.246 861 V C 1.141 177.251 176.094 0.027 0.000 1.045 861 V CA 1.164 63.500 62.300 0.061 0.000 1.058 861 V CB -0.536 31.374 31.823 0.144 0.000 0.689 861 V HN 1.026 nan 8.190 nan 0.000 0.461 862 A N 0.020 122.815 122.820 -0.041 0.000 2.590 862 A HA 0.635 4.953 4.320 -0.003 0.000 0.296 862 A C -0.896 176.643 177.584 -0.076 0.000 1.050 862 A CA -0.656 51.377 52.037 -0.007 0.000 0.697 862 A CB 1.111 20.195 19.000 0.140 0.000 1.277 862 A HN 0.316 nan 8.150 nan 0.000 0.411 863 E N 0.401 120.573 120.200 -0.046 0.000 2.393 863 E HA 0.872 5.220 4.350 -0.003 0.000 0.265 863 E C -0.910 175.676 176.600 -0.023 0.000 0.941 863 E CA -1.072 55.296 56.400 -0.053 0.000 0.801 863 E CB 2.121 31.802 29.700 -0.033 0.000 1.313 863 E HN 0.478 nan 8.360 nan 0.000 0.435 864 K N 0.517 120.902 120.400 -0.025 0.000 2.571 864 K HA 0.160 4.478 4.320 -0.003 0.000 0.252 864 K C -1.495 175.113 176.600 0.014 0.000 0.956 864 K CA -0.345 55.941 56.287 -0.002 0.000 0.822 864 K CB 2.023 34.521 32.500 -0.002 0.000 1.286 864 K HN 0.572 nan 8.250 nan 0.000 0.439 865 E N 2.342 122.551 120.200 0.015 0.000 2.374 865 E HA 0.447 4.795 4.350 -0.003 0.000 0.260 865 E C -0.899 175.758 176.600 0.094 0.000 1.101 865 E CA -0.588 55.836 56.400 0.040 0.000 0.907 865 E CB 1.030 30.687 29.700 -0.070 0.000 1.014 865 E HN 0.423 nan 8.360 nan 0.000 0.427 866 V N 0.045 120.040 119.914 0.135 0.000 2.808 866 V HA 0.359 4.478 4.120 -0.003 0.000 0.308 866 V C -0.527 175.644 176.094 0.128 0.000 1.099 866 V CA -1.080 61.296 62.300 0.126 0.000 0.920 866 V CB 1.631 33.519 31.823 0.109 0.000 1.014 866 V HN 0.609 nan 8.190 nan 0.000 0.425 867 K N 2.824 123.287 120.400 0.106 0.000 3.226 867 K HA 0.630 4.948 4.320 -0.003 0.000 0.268 867 K C 0.432 177.073 176.600 0.068 0.000 1.217 867 K CA 0.526 56.870 56.287 0.093 0.000 1.242 867 K CB 0.174 32.721 32.500 0.078 0.000 1.389 867 K HN 1.214 nan 8.250 nan 0.000 0.406 868 G N -0.321 108.509 108.800 0.049 0.000 2.325 868 G HA2 0.370 4.328 3.960 -0.003 0.000 0.297 868 G HA3 0.370 4.328 3.960 -0.003 0.000 0.297 868 G C -1.626 173.243 174.900 -0.051 0.000 1.448 868 G CA -0.872 44.235 45.100 0.011 0.000 0.838 868 G HN 0.185 nan 8.290 nan 0.000 0.579 869 A N -0.431 122.311 122.820 -0.129 0.000 2.440 869 A HA 0.570 4.888 4.320 -0.003 0.000 0.251 869 A C 0.468 177.845 177.584 -0.345 0.000 1.089 869 A CA -0.115 51.720 52.037 -0.337 0.000 0.779 869 A CB 0.499 19.134 19.000 -0.610 0.000 1.022 869 A HN 1.587 nan 8.150 nan 0.000 0.492 870 V N 4.125 123.842 119.914 -0.329 0.000 2.353 870 V HA 0.114 4.233 4.120 -0.003 0.000 0.264 870 V C 0.274 176.208 176.094 -0.267 0.000 1.049 870 V CA 0.174 62.351 62.300 -0.204 0.000 0.896 870 V CB -0.630 31.117 31.823 -0.125 0.000 1.025 870 V HN 0.963 nan 8.190 nan 0.000 0.475 871 Y N 2.555 122.819 120.300 -0.060 0.000 2.262 871 Y HA 0.068 4.616 4.550 -0.003 0.000 0.295 871 Y C 1.543 177.416 175.900 -0.045 0.000 1.121 871 Y CA 0.968 59.024 58.100 -0.073 0.000 1.144 871 Y CB 0.597 38.984 38.460 -0.121 0.000 1.043 871 Y HN 0.742 nan 8.280 nan 0.000 0.528 872 S N -0.165 115.610 115.700 0.125 0.000 2.656 872 S HA 0.697 5.165 4.470 -0.003 0.000 0.273 872 S C -0.958 173.681 174.600 0.065 0.000 1.168 872 S CA -1.019 57.235 58.200 0.091 0.000 0.817 872 S CB 2.018 65.287 63.200 0.115 0.000 1.146 872 S HN 0.168 nan 8.310 nan 0.000 0.475 873 M N 0.379 120.018 119.600 0.065 0.000 2.488 873 M HA 0.422 4.901 4.480 -0.003 0.000 0.174 873 M C -1.096 175.248 176.300 0.073 0.000 0.963 873 M CA -0.710 54.625 55.300 0.058 0.000 0.900 873 M CB 0.702 33.320 32.600 0.030 0.000 2.927 873 M HN 0.528 nan 8.290 nan 0.000 0.394 874 V N 1.792 121.759 119.914 0.089 0.000 2.924 874 V HA 0.291 4.409 4.120 -0.003 0.000 0.305 874 V C 0.256 176.429 176.094 0.133 0.000 1.073 874 V CA 0.341 62.711 62.300 0.115 0.000 1.098 874 V CB 1.452 33.355 31.823 0.133 0.000 1.000 874 V HN 0.900 nan 8.190 nan 0.000 0.484 875 E N 5.063 125.345 120.200 0.137 0.000 2.223 875 E HA 0.076 4.425 4.350 -0.003 0.000 0.282 875 E C -0.454 176.279 176.600 0.222 0.000 1.046 875 E CA -0.217 56.269 56.400 0.143 0.000 0.857 875 E CB 1.014 30.769 29.700 0.092 0.000 1.055 875 E HN 0.702 nan 8.360 nan 0.000 0.409 876 F N 4.715 124.690 119.950 0.041 0.000 2.202 876 F HA 0.167 4.692 4.527 -0.003 0.000 0.266 876 F C 0.927 176.756 175.800 0.049 0.000 1.173 876 F CA 0.651 58.678 58.000 0.045 0.000 1.075 876 F CB 0.282 39.291 39.000 0.014 0.000 1.046 876 F HN 0.439 nan 8.300 nan 0.000 0.531 877 N N -0.082 118.581 118.700 -0.061 0.000 2.723 877 N HA 0.246 4.984 4.740 -0.003 0.000 0.290 877 N C 0.133 175.646 175.510 0.004 0.000 1.882 877 N CA 0.670 53.650 53.050 -0.116 0.000 0.851 877 N CB 0.938 39.318 38.487 -0.178 0.000 1.234 877 N HN 0.641 nan 8.380 nan 0.000 0.491 878 G N 1.278 110.100 108.800 0.036 0.000 2.160 878 G HA2 -0.284 3.675 3.960 -0.003 0.000 0.251 878 G HA3 -0.284 3.675 3.960 -0.003 0.000 0.251 878 G C -0.123 174.832 174.900 0.091 0.000 1.008 878 G CA 0.331 45.469 45.100 0.063 0.000 0.724 878 G HN 0.366 nan 8.290 nan 0.000 0.514 879 K N -0.836 119.628 120.400 0.107 0.000 2.468 879 K HA 0.606 4.925 4.320 -0.003 0.000 0.252 879 K C -0.771 175.920 176.600 0.151 0.000 0.932 879 K CA -1.076 55.293 56.287 0.137 0.000 0.794 879 K CB 2.584 35.161 32.500 0.129 0.000 1.241 879 K HN 0.081 nan 8.250 nan 0.000 0.428 880 L N 2.949 124.254 121.223 0.136 0.000 2.350 880 L HA 0.369 4.707 4.340 -0.003 0.000 0.275 880 L C -1.039 175.949 176.870 0.197 0.000 1.099 880 L CA -0.471 54.437 54.840 0.114 0.000 0.808 880 L CB 0.778 42.836 42.059 -0.003 0.000 1.149 880 L HN 0.536 nan 8.230 nan 0.000 0.442 881 L N 5.565 126.877 121.223 0.148 0.000 2.490 881 L HA 0.708 5.046 4.340 -0.003 0.000 0.256 881 L C -0.629 176.303 176.870 0.105 0.000 1.089 881 L CA -0.098 54.816 54.840 0.124 0.000 0.916 881 L CB 0.811 42.878 42.059 0.013 0.000 1.188 881 L HN 0.658 nan 8.230 nan 0.000 0.476 882 A N 2.391 125.314 122.820 0.171 0.000 2.293 882 A HA 0.803 5.122 4.320 -0.003 0.000 0.302 882 A C -0.030 177.608 177.584 0.090 0.000 1.119 882 A CA -0.046 52.063 52.037 0.121 0.000 0.823 882 A CB 0.733 19.816 19.000 0.138 0.000 1.097 882 A HN 0.822 nan 8.150 nan 0.000 0.491 883 S N 0.887 116.628 115.700 0.068 0.000 2.438 883 S HA 0.671 5.140 4.470 -0.003 0.000 0.316 883 S C -0.685 173.982 174.600 0.112 0.000 1.084 883 S CA -0.375 57.860 58.200 0.059 0.000 1.107 883 S CB 0.237 63.455 63.200 0.029 0.000 0.981 883 S HN 0.467 nan 8.310 nan 0.000 0.466 884 I N 2.403 123.032 120.570 0.099 0.000 2.595 884 I HA 0.329 4.497 4.170 -0.003 0.000 0.275 884 I C -0.694 175.493 176.117 0.117 0.000 1.092 884 I CA -0.610 60.754 61.300 0.107 0.000 1.145 884 I CB 0.357 38.409 38.000 0.087 0.000 1.276 884 I HN 0.584 nan 8.210 nan 0.000 0.497 885 N N 3.664 122.486 118.700 0.204 0.000 2.556 885 N HA -0.222 4.516 4.740 -0.003 0.000 0.288 885 N C 0.386 175.924 175.510 0.047 0.000 1.226 885 N CA 1.155 54.292 53.050 0.145 0.000 0.719 885 N CB -0.553 38.008 38.487 0.124 0.000 0.923 885 N HN 0.699 nan 8.380 nan 0.000 0.544 886 S N -1.517 114.172 115.700 -0.018 0.000 3.476 886 S HA -0.193 4.276 4.470 -0.003 0.000 0.309 886 S C -0.190 174.396 174.600 -0.023 0.000 1.222 886 S CA 1.441 59.611 58.200 -0.049 0.000 0.922 886 S CB -0.975 62.203 63.200 -0.037 0.000 1.023 886 S HN 0.730 nan 8.310 nan 0.000 0.591 887 T N 0.886 115.426 114.554 -0.023 0.000 3.170 887 T HA 0.452 4.800 4.350 -0.003 0.000 0.315 887 T C -0.292 174.362 174.700 -0.076 0.000 0.967 887 T CA -0.523 61.543 62.100 -0.058 0.000 1.024 887 T CB 1.620 70.518 68.868 0.050 0.000 1.018 887 T HN 0.040 nan 8.240 nan 0.000 0.449 888 V N 4.013 123.851 119.914 -0.126 0.000 2.407 888 V HA 0.617 4.735 4.120 -0.003 0.000 0.278 888 V C 0.374 176.421 176.094 -0.078 0.000 1.037 888 V CA -0.580 61.668 62.300 -0.087 0.000 0.900 888 V CB 1.296 33.055 31.823 -0.107 0.000 0.983 888 V HN 0.695 nan 8.190 nan 0.000 0.459 889 R N 3.612 124.112 120.500 0.000 0.000 2.621 889 R HA 0.628 4.967 4.340 -0.003 0.000 0.284 889 R C -1.930 174.405 176.300 0.058 0.000 0.998 889 R CA -0.867 55.238 56.100 0.009 0.000 0.895 889 R CB 2.035 32.307 30.300 -0.046 0.000 1.195 889 R HN 0.584 nan 8.270 nan 0.000 0.450 890 L N 3.972 125.197 121.223 0.003 0.000 2.296 890 L HA 0.475 4.814 4.340 -0.003 0.000 0.286 890 L C -1.658 175.133 176.870 -0.132 0.000 1.023 890 L CA -0.298 54.536 54.840 -0.010 0.000 0.812 890 L CB 1.102 43.111 42.059 -0.084 0.000 1.223 890 L HN 0.524 nan 8.230 nan 0.000 0.421 891 Y N 2.757 123.073 120.300 0.026 0.000 2.420 891 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 891 Y C 0.275 176.217 175.900 0.071 0.000 1.094 891 Y CA -0.500 57.631 58.100 0.052 0.000 1.126 891 Y CB 1.639 40.136 38.460 0.062 0.000 1.217 891 Y HN 0.560 nan 8.280 nan 0.000 0.462 892 E N 0.991 121.342 120.200 0.253 0.000 2.243 892 E HA 0.165 4.514 4.350 -0.003 0.000 0.260 892 E C -1.392 175.425 176.600 0.361 0.000 0.985 892 E CA -0.890 55.647 56.400 0.228 0.000 0.858 892 E CB 2.002 31.782 29.700 0.133 0.000 1.210 892 E HN 0.660 nan 8.360 nan 0.000 0.411 893 W N 3.490 124.818 121.300 0.047 0.000 2.394 893 W HA 0.129 4.788 4.660 -0.002 0.000 0.312 893 W C -0.166 176.364 176.519 0.019 0.000 0.981 893 W CA -0.796 56.563 57.345 0.023 0.000 1.519 893 W CB 1.037 30.508 29.460 0.018 0.000 1.304 893 W HN 0.572 nan 8.180 nan 0.000 0.412 894 T N -0.022 114.404 114.554 -0.213 0.000 2.791 894 T HA -0.089 4.259 4.350 -0.003 0.000 0.323 894 T C 1.646 176.114 174.700 -0.387 0.000 1.082 894 T CA 0.881 62.830 62.100 -0.252 0.000 1.084 894 T CB 1.306 70.045 68.868 -0.215 0.000 0.992 894 T HN 0.498 nan 8.240 nan 0.000 0.547 895 T N -0.622 113.799 114.554 -0.221 0.000 2.746 895 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 895 T C 1.217 175.779 174.700 -0.229 0.000 1.039 895 T CA 1.301 63.291 62.100 -0.183 0.000 1.142 895 T CB -0.703 68.107 68.868 -0.097 0.000 0.866 895 T HN 0.831 nan 8.240 nan 0.000 0.444 896 E N 1.767 121.827 120.200 -0.233 0.000 2.438 896 E HA 0.219 4.568 4.350 -0.003 0.000 0.192 896 E C 0.030 176.445 176.600 -0.308 0.000 1.110 896 E CA -0.236 56.038 56.400 -0.210 0.000 0.893 896 E CB -0.754 28.858 29.700 -0.146 0.000 0.990 896 E HN 0.495 nan 8.360 nan 0.000 0.490 897 K N 0.687 120.762 120.400 -0.543 0.000 3.653 897 K HA -0.177 4.141 4.320 -0.003 0.000 0.275 897 K C -0.827 175.289 176.600 -0.807 0.000 0.962 897 K CA 0.801 56.571 56.287 -0.861 0.000 0.773 897 K CB -1.293 31.004 32.500 -0.339 0.000 1.463 897 K HN 0.321 nan 8.250 nan 0.000 0.450 898 D N -0.295 119.553 120.400 -0.920 0.000 2.661 898 D HA 0.329 4.968 4.640 -0.003 0.000 0.228 898 D C -0.953 175.225 176.300 -0.203 0.000 1.210 898 D CA -0.630 53.123 54.000 -0.412 0.000 0.826 898 D CB 1.975 42.659 40.800 -0.193 0.000 1.542 898 D HN -0.061 nan 8.370 nan 0.000 0.447 899 V N 2.258 122.281 119.914 0.183 0.000 2.339 899 V HA 0.443 4.561 4.120 -0.003 0.000 0.261 899 V C 0.548 176.824 176.094 0.304 0.000 1.058 899 V CA -0.718 61.803 62.300 0.369 0.000 0.897 899 V CB 0.310 32.306 31.823 0.287 0.000 1.052 899 V HN 0.432 nan 8.190 nan 0.000 0.480 900 R N 3.454 124.098 120.500 0.239 0.000 2.349 900 R HA 0.473 4.812 4.340 -0.003 0.000 0.299 900 R C -0.022 176.339 176.300 0.102 0.000 1.027 900 R CA -0.214 55.972 56.100 0.143 0.000 0.958 900 R CB 0.996 31.330 30.300 0.057 0.000 1.047 900 R HN 0.700 nan 8.270 nan 0.000 0.468 901 T N 3.012 117.552 114.554 -0.022 0.000 2.901 901 T HA 0.045 4.393 4.350 -0.003 0.000 0.301 901 T C 0.467 175.084 174.700 -0.138 0.000 1.012 901 T CA -0.496 61.460 62.100 -0.240 0.000 1.135 901 T CB 1.451 70.181 68.868 -0.231 0.000 0.936 901 T HN 0.799 nan 8.240 nan 0.000 0.539 902 E N 0.216 120.316 120.200 -0.167 0.000 2.378 902 E HA 0.124 4.473 4.350 -0.003 0.000 0.200 902 E C 0.242 176.788 176.600 -0.090 0.000 0.882 902 E CA 0.079 56.425 56.400 -0.090 0.000 1.061 902 E CB 0.763 30.430 29.700 -0.055 0.000 1.049 902 E HN 0.863 nan 8.360 nan 0.000 0.494 903 C N 0.499 119.731 119.300 -0.113 0.000 3.090 903 C HA 0.770 5.229 4.460 -0.003 0.000 0.305 903 C C -0.837 174.139 174.990 -0.022 0.000 1.292 903 C CA -1.206 57.768 59.018 -0.073 0.000 1.482 903 C CB 1.032 28.693 27.740 -0.133 0.000 1.897 903 C HN 0.199 nan 8.230 nan 0.000 0.469 904 N N 0.159 118.852 118.700 -0.011 0.000 2.262 904 N HA 0.594 5.332 4.740 -0.003 0.000 0.295 904 N C -1.639 173.801 175.510 -0.117 0.000 1.161 904 N CA -0.304 52.643 53.050 -0.172 0.000 0.767 904 N CB 1.732 39.923 38.487 -0.494 0.000 1.499 904 N HN 1.065 nan 8.380 nan 0.000 0.476 905 H N -0.231 118.596 119.070 -0.405 0.000 3.013 905 H HA 0.326 4.879 4.556 -0.004 0.000 0.326 905 H C -0.873 174.231 175.328 -0.373 0.000 0.973 905 H CA -0.410 55.430 56.048 -0.346 0.000 1.369 905 H CB 0.218 29.739 29.762 -0.401 0.000 1.598 905 H HN 0.610 nan 8.280 nan 0.000 0.518 906 Y N 2.385 122.416 120.300 -0.448 0.000 2.478 906 Y HA 0.114 4.660 4.550 -0.007 0.000 0.261 906 Y C 1.419 177.051 175.900 -0.448 0.000 1.127 906 Y CA -0.122 57.757 58.100 -0.369 0.000 1.288 906 Y CB 0.599 38.957 38.460 -0.171 0.000 1.084 906 Y HN 0.603 nan 8.280 nan 0.000 0.530 907 N N 2.298 120.687 118.700 -0.518 0.000 3.050 907 N HA -0.007 4.732 4.740 -0.003 0.000 0.289 907 N C -1.204 174.152 175.510 -0.256 0.000 1.209 907 N CA 0.099 52.987 53.050 -0.270 0.000 1.154 907 N CB -0.311 38.127 38.487 -0.083 0.000 1.444 907 N HN 0.283 nan 8.380 nan 0.000 0.529 908 N N 1.900 120.470 118.700 -0.217 0.000 2.235 908 N HA 0.170 4.909 4.740 -0.003 0.000 0.293 908 N C 0.677 176.099 175.510 -0.146 0.000 1.083 908 N CA -0.504 52.448 53.050 -0.163 0.000 0.801 908 N CB 2.030 40.419 38.487 -0.164 0.000 1.559 908 N HN 0.193 nan 8.380 nan 0.000 0.472 909 I N 0.922 121.396 120.570 -0.161 0.000 2.500 909 I HA 0.169 4.337 4.170 -0.003 0.000 0.252 909 I C 0.294 176.299 176.117 -0.187 0.000 1.142 909 I CA 1.159 62.358 61.300 -0.168 0.000 1.451 909 I CB 0.332 38.212 38.000 -0.200 0.000 1.093 909 I HN 0.573 nan 8.210 nan 0.000 0.430 910 M N -0.325 119.140 119.600 -0.225 0.000 2.363 910 M HA 0.325 4.803 4.480 -0.003 0.000 0.256 910 M C -1.690 174.413 176.300 -0.329 0.000 1.005 910 M CA -0.348 54.787 55.300 -0.274 0.000 0.890 910 M CB 1.164 33.560 32.600 -0.340 0.000 2.101 910 M HN -0.101 nan 8.290 nan 0.000 0.476 911 A N 5.648 128.298 122.820 -0.284 0.000 2.923 911 A HA 0.455 4.773 4.320 -0.003 0.000 0.306 911 A C 0.522 177.884 177.584 -0.370 0.000 1.542 911 A CA -0.460 51.426 52.037 -0.251 0.000 1.225 911 A CB -0.406 18.516 19.000 -0.130 0.000 1.147 911 A HN 1.001 nan 8.150 nan 0.000 0.542 912 L N 0.612 121.467 121.223 -0.615 0.000 2.179 912 L HA 0.023 4.362 4.340 -0.003 0.000 0.208 912 L C -0.038 176.365 176.870 -0.778 0.000 1.096 912 L CA 1.039 55.310 54.840 -0.947 0.000 0.779 912 L CB -0.264 40.862 42.059 -1.555 0.000 0.922 912 L HN 0.702 nan 8.230 nan 0.000 0.443 913 Y N -0.720 119.549 120.300 -0.052 0.000 2.462 913 Y HA 0.646 5.195 4.550 -0.002 0.000 0.346 913 Y C -0.379 175.505 175.900 -0.026 0.000 0.976 913 Y CA -0.890 57.200 58.100 -0.016 0.000 1.044 913 Y CB 1.965 40.418 38.460 -0.011 0.000 1.230 913 Y HN -0.236 nan 8.280 nan 0.000 0.455 914 L N 3.871 125.187 121.223 0.155 0.000 2.470 914 L HA 0.544 4.882 4.340 -0.003 0.000 0.268 914 L C -1.105 175.813 176.870 0.081 0.000 0.964 914 L CA -0.856 54.025 54.840 0.067 0.000 0.839 914 L CB 2.051 44.133 42.059 0.039 0.000 1.276 914 L HN 0.569 nan 8.230 nan 0.000 0.403 915 K N 1.770 122.198 120.400 0.047 0.000 2.464 915 K HA 0.611 4.929 4.320 -0.003 0.000 0.253 915 K C -1.133 175.512 176.600 0.075 0.000 0.933 915 K CA -0.715 55.615 56.287 0.072 0.000 0.801 915 K CB 2.768 35.309 32.500 0.068 0.000 1.271 915 K HN 0.373 nan 8.250 nan 0.000 0.430 916 T N 2.170 116.808 114.554 0.139 0.000 2.791 916 T HA 0.172 4.520 4.350 -0.003 0.000 0.288 916 T C -0.298 174.502 174.700 0.166 0.000 0.999 916 T CA -0.581 61.642 62.100 0.205 0.000 0.952 916 T CB 0.933 70.011 68.868 0.350 0.000 0.938 916 T HN 0.152 nan 8.240 nan 0.000 0.444 917 K N 2.872 123.362 120.400 0.150 0.000 2.336 917 K HA 0.130 4.448 4.320 -0.003 0.000 0.290 917 K C 1.721 178.355 176.600 0.058 0.000 1.067 917 K CA 0.156 56.510 56.287 0.112 0.000 0.962 917 K CB 0.175 32.758 32.500 0.138 0.000 1.008 917 K HN 0.895 nan 8.250 nan 0.000 0.467 918 G N 4.540 113.346 108.800 0.011 0.000 3.710 918 G HA2 -0.411 3.548 3.960 -0.003 0.000 0.250 918 G HA3 -0.411 3.548 3.960 -0.003 0.000 0.250 918 G C 0.962 175.753 174.900 -0.181 0.000 1.046 918 G CA 1.672 46.733 45.100 -0.066 0.000 0.713 918 G HN 0.744 nan 8.290 nan 0.000 0.749 919 D N -0.391 119.890 120.400 -0.199 0.000 1.992 919 D HA 0.206 4.844 4.640 -0.003 0.000 0.304 919 D C 0.311 176.365 176.300 -0.411 0.000 1.099 919 D CA -0.038 53.696 54.000 -0.442 0.000 0.846 919 D CB -0.201 40.407 40.800 -0.321 0.000 1.011 919 D HN 0.053 nan 8.370 nan 0.000 0.336 920 F N 0.125 120.119 119.950 0.073 0.000 2.530 920 F HA 0.491 5.018 4.527 0.000 0.000 0.318 920 F C -0.360 175.686 175.800 0.410 0.000 1.356 920 F CA -0.552 57.607 58.000 0.265 0.000 1.135 920 F CB 0.318 39.484 39.000 0.277 0.000 1.315 920 F HN -0.004 nan 8.300 nan 0.000 0.549 921 I N 0.774 121.684 120.570 0.567 0.000 2.894 921 I HA 0.584 4.753 4.170 -0.003 0.000 0.302 921 I C -1.274 174.995 176.117 0.252 0.000 1.188 921 I CA -0.771 60.733 61.300 0.342 0.000 1.014 921 I CB 2.843 40.971 38.000 0.213 0.000 1.242 921 I HN 0.012 nan 8.210 nan 0.000 0.430 922 L N 4.978 126.230 121.223 0.049 0.000 2.479 922 L HA 0.800 5.138 4.340 -0.003 0.000 0.255 922 L C -1.251 175.490 176.870 -0.215 0.000 1.026 922 L CA -0.777 54.016 54.840 -0.078 0.000 0.842 922 L CB 2.228 44.187 42.059 -0.166 0.000 1.444 922 L HN 0.296 nan 8.230 nan 0.000 0.409 923 V N -0.126 119.667 119.914 -0.202 0.000 3.077 923 V HA 0.996 5.115 4.120 -0.003 0.000 0.299 923 V C -0.843 175.183 176.094 -0.113 0.000 1.276 923 V CA 0.656 62.819 62.300 -0.227 0.000 0.993 923 V CB 1.821 33.439 31.823 -0.341 0.000 1.076 923 V HN 1.065 nan 8.190 nan 0.000 0.434 924 G N 3.466 112.218 108.800 -0.079 0.000 2.337 924 G HA2 0.524 4.482 3.960 -0.003 0.000 0.298 924 G HA3 0.524 4.482 3.960 -0.003 0.000 0.298 924 G C -1.542 173.354 174.900 -0.007 0.000 1.335 924 G CA 0.349 45.455 45.100 0.010 0.000 0.875 924 G HN 1.421 nan 8.290 nan 0.000 0.579 925 D N -1.966 118.440 120.400 0.010 0.000 3.491 925 D HA -0.045 4.593 4.640 -0.003 0.000 0.316 925 D C 0.414 176.653 176.300 -0.102 0.000 0.998 925 D CA 0.104 54.045 54.000 -0.098 0.000 0.727 925 D CB 0.664 41.398 40.800 -0.111 0.000 1.903 925 D HN 1.101 nan 8.370 nan 0.000 0.545 926 L N 2.931 124.009 121.223 -0.241 0.000 2.062 926 L HA 0.261 4.600 4.340 -0.003 0.000 0.202 926 L C 2.057 178.691 176.870 -0.395 0.000 1.079 926 L CA 2.352 57.019 54.840 -0.287 0.000 0.755 926 L CB -0.358 41.469 42.059 -0.387 0.000 0.913 926 L HN 0.628 nan 8.230 nan 0.000 0.445 927 M N -1.749 117.507 119.600 -0.574 0.000 2.412 927 M HA 0.421 4.899 4.480 -0.003 0.000 0.315 927 M C -0.169 175.820 176.300 -0.519 0.000 1.092 927 M CA 0.182 54.888 55.300 -0.990 0.000 0.974 927 M CB 0.526 32.282 32.600 -1.408 0.000 1.437 927 M HN 0.022 nan 8.290 nan 0.000 0.524 928 R N 1.200 121.527 120.500 -0.288 0.000 2.648 928 R HA 0.354 4.692 4.340 -0.003 0.000 0.341 928 R C 0.185 176.416 176.300 -0.114 0.000 1.154 928 R CA 0.499 56.491 56.100 -0.181 0.000 1.228 928 R CB 0.337 30.520 30.300 -0.195 0.000 1.311 928 R HN 0.676 nan 8.270 nan 0.000 0.659 929 S N -0.043 115.630 115.700 -0.045 0.000 3.938 929 S HA -0.262 4.206 4.470 -0.003 0.000 0.624 929 S C 0.391 175.037 174.600 0.078 0.000 2.186 929 S CA 0.889 59.124 58.200 0.058 0.000 4.144 929 S CB -1.334 61.873 63.200 0.011 0.000 0.230 929 S HN 0.501 nan 8.310 nan 0.000 0.755 930 V N -1.315 118.648 119.914 0.081 0.000 3.126 930 V HA 0.964 5.083 4.120 -0.003 0.000 0.314 930 V C -0.610 175.457 176.094 -0.045 0.000 1.138 930 V CA -1.095 61.226 62.300 0.036 0.000 1.034 930 V CB 1.380 33.249 31.823 0.077 0.000 1.075 930 V HN 1.016 nan 8.190 nan 0.000 0.442 931 L N 2.037 123.205 121.223 -0.092 0.000 2.410 931 L HA 0.650 4.989 4.340 -0.003 0.000 0.270 931 L C -0.769 175.987 176.870 -0.189 0.000 0.983 931 L CA -0.345 54.417 54.840 -0.130 0.000 0.822 931 L CB 1.699 43.676 42.059 -0.138 0.000 1.285 931 L HN 0.725 nan 8.230 nan 0.000 0.409 932 L N 3.955 125.086 121.223 -0.153 0.000 2.275 932 L HA 0.723 5.062 4.340 -0.003 0.000 0.288 932 L C -1.275 175.515 176.870 -0.134 0.000 1.046 932 L CA -0.035 54.697 54.840 -0.181 0.000 0.805 932 L CB 1.088 43.112 42.059 -0.059 0.000 1.193 932 L HN 0.462 nan 8.230 nan 0.000 0.426 933 L N 4.497 125.632 121.223 -0.147 0.000 2.422 933 L HA 0.870 5.208 4.340 -0.003 0.000 0.264 933 L C -0.614 176.299 176.870 0.072 0.000 0.984 933 L CA -0.236 54.536 54.840 -0.113 0.000 0.819 933 L CB 2.083 43.919 42.059 -0.371 0.000 1.330 933 L HN 0.730 nan 8.230 nan 0.000 0.410 934 A N 1.874 124.800 122.820 0.177 0.000 2.337 934 A HA 0.632 4.950 4.320 -0.003 0.000 0.329 934 A C -1.512 176.299 177.584 0.377 0.000 1.146 934 A CA -0.440 51.770 52.037 0.288 0.000 0.800 934 A CB 0.766 19.888 19.000 0.203 0.000 1.220 934 A HN 0.607 nan 8.150 nan 0.000 0.472 935 Y N 2.136 122.599 120.300 0.272 0.000 2.307 935 Y HA 0.544 5.091 4.550 -0.005 0.000 0.324 935 Y C -0.343 175.492 175.900 -0.109 0.000 1.238 935 Y CA -0.318 57.761 58.100 -0.035 0.000 1.280 935 Y CB 1.023 39.545 38.460 0.105 0.000 1.248 935 Y HN 0.453 nan 8.280 nan 0.000 0.508 936 K N 7.385 127.119 120.400 -1.110 0.000 2.535 936 K HA 0.247 4.565 4.320 -0.003 0.000 0.253 936 K C -2.453 173.437 176.600 -1.183 0.000 0.953 936 K CA -2.048 53.715 56.287 -0.873 0.000 0.863 936 K CB 1.625 33.866 32.500 -0.432 0.000 1.111 936 K HN 0.467 nan 8.250 nan 0.000 0.431 937 P HA -0.135 nan 4.420 nan 0.000 0.236 937 P C 1.286 178.397 177.300 -0.315 0.000 1.172 937 P CA 0.647 63.434 63.100 -0.522 0.000 0.759 937 P CB 0.233 31.727 31.700 -0.344 0.000 0.843 938 M N 1.574 120.984 119.600 -0.318 0.000 2.255 938 M HA -0.225 4.254 4.480 -0.003 0.000 0.260 938 M C 1.466 177.660 176.300 -0.176 0.000 1.069 938 M CA 2.764 57.944 55.300 -0.200 0.000 1.089 938 M CB -0.275 32.215 32.600 -0.184 0.000 1.269 938 M HN -0.028 nan 8.290 nan 0.000 0.434 939 E N -1.661 118.409 120.200 -0.216 0.000 2.753 939 E HA 0.280 4.629 4.350 -0.003 0.000 0.218 939 E C 0.431 176.931 176.600 -0.166 0.000 0.956 939 E CA 0.274 56.583 56.400 -0.152 0.000 1.244 939 E CB 0.440 30.076 29.700 -0.107 0.000 1.114 939 E HN 0.708 nan 8.360 nan 0.000 0.530 940 G N 1.244 109.872 108.800 -0.287 0.000 2.385 940 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.294 940 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.294 940 G C -0.789 173.995 174.900 -0.193 0.000 1.070 940 G CA 0.602 45.584 45.100 -0.197 0.000 1.172 940 G HN 0.460 nan 8.290 nan 0.000 0.516 941 N N -1.525 116.970 118.700 -0.342 0.000 2.525 941 N HA 0.771 5.509 4.740 -0.003 0.000 0.270 941 N C -0.514 174.800 175.510 -0.327 0.000 1.321 941 N CA -1.044 51.857 53.050 -0.249 0.000 0.797 941 N CB 1.487 39.894 38.487 -0.133 0.000 1.529 941 N HN 0.090 nan 8.380 nan 0.000 0.491 942 F N 0.719 120.653 119.950 -0.027 0.000 2.432 942 F HA 0.408 4.934 4.527 -0.003 0.000 0.329 942 F C 0.230 176.005 175.800 -0.041 0.000 1.076 942 F CA -0.335 57.641 58.000 -0.040 0.000 1.018 942 F CB 1.595 40.556 39.000 -0.065 0.000 1.201 942 F HN 0.289 nan 8.300 nan 0.000 0.489 943 E N 2.270 122.596 120.200 0.210 0.000 2.334 943 E HA 0.059 4.407 4.350 -0.003 0.000 0.280 943 E C -1.438 175.196 176.600 0.056 0.000 0.899 943 E CA -0.524 55.936 56.400 0.099 0.000 0.813 943 E CB 1.379 31.116 29.700 0.062 0.000 1.318 943 E HN 0.717 nan 8.360 nan 0.000 0.399 944 E N 6.378 126.591 120.200 0.022 0.000 1.881 944 E HA 0.056 4.404 4.350 -0.003 0.000 0.264 944 E C 0.939 177.551 176.600 0.020 0.000 1.243 944 E CA -0.057 56.327 56.400 -0.026 0.000 0.965 944 E CB 0.197 29.893 29.700 -0.006 0.000 1.055 944 E HN 0.636 nan 8.360 nan 0.000 0.412 945 I N 2.841 123.427 120.570 0.026 0.000 2.069 945 I HA -0.210 3.958 4.170 -0.003 0.000 0.237 945 I C 1.067 177.230 176.117 0.078 0.000 1.053 945 I CA 1.336 62.673 61.300 0.062 0.000 1.311 945 I CB -0.153 37.895 38.000 0.080 0.000 1.030 945 I HN 0.473 nan 8.210 nan 0.000 0.398 946 A N -0.069 122.792 122.820 0.070 0.000 2.606 946 A HA 0.758 5.077 4.320 -0.003 0.000 0.293 946 A C -0.773 176.839 177.584 0.047 0.000 1.082 946 A CA -0.659 51.438 52.037 0.100 0.000 0.685 946 A CB 1.574 20.664 19.000 0.149 0.000 1.284 946 A HN 0.351 nan 8.150 nan 0.000 0.408 947 R N 0.475 120.999 120.500 0.040 0.000 2.799 947 R HA 0.691 5.030 4.340 -0.003 0.000 0.270 947 R C -1.677 174.611 176.300 -0.021 0.000 1.010 947 R CA -0.682 55.373 56.100 -0.075 0.000 0.916 947 R CB 1.455 31.589 30.300 -0.277 0.000 1.228 947 R HN 0.516 nan 8.270 nan 0.000 0.469 948 D N 0.998 121.374 120.400 -0.041 0.000 2.264 948 D HA 0.197 4.835 4.640 -0.003 0.000 0.250 948 D C -1.143 175.083 176.300 -0.125 0.000 1.113 948 D CA -0.398 53.625 54.000 0.038 0.000 0.871 948 D CB 0.608 41.463 40.800 0.091 0.000 1.167 948 D HN 0.391 nan 8.370 nan 0.000 0.447 949 F N 3.129 123.042 119.950 -0.062 0.000 2.384 949 F HA 0.385 4.910 4.527 -0.003 0.000 0.359 949 F C 0.167 175.945 175.800 -0.036 0.000 1.143 949 F CA -0.453 57.506 58.000 -0.068 0.000 1.216 949 F CB -0.203 38.749 39.000 -0.081 0.000 1.512 949 F HN 0.216 nan 8.300 nan 0.000 0.573 950 N N 1.549 120.259 118.700 0.016 0.000 2.928 950 N HA 0.230 4.969 4.740 -0.003 0.000 0.247 950 N C -2.913 172.579 175.510 -0.030 0.000 1.141 950 N CA -1.297 51.749 53.050 -0.007 0.000 0.977 950 N CB 2.453 40.903 38.487 -0.062 0.000 1.663 950 N HN -0.118 nan 8.380 nan 0.000 0.509 951 P HA 0.264 nan 4.420 nan 0.000 0.219 951 P C -1.422 175.961 177.300 0.138 0.000 1.847 951 P CA -0.342 62.799 63.100 0.068 0.000 1.059 951 P CB -0.239 31.539 31.700 0.130 0.000 1.900 952 N N 1.259 119.990 118.700 0.051 0.000 2.434 952 N HA 0.124 4.862 4.740 -0.003 0.000 0.272 952 N C -0.680 174.956 175.510 0.210 0.000 1.040 952 N CA -0.225 52.885 53.050 0.099 0.000 0.956 952 N CB 0.547 38.960 38.487 -0.124 0.000 1.108 952 N HN 0.186 nan 8.380 nan 0.000 0.481 953 W N 3.474 124.765 121.300 -0.015 0.000 2.422 953 W HA 0.272 4.931 4.660 -0.001 0.000 0.349 953 W C 0.196 176.739 176.519 0.041 0.000 1.062 953 W CA -0.564 56.788 57.345 0.012 0.000 1.497 953 W CB -0.106 29.350 29.460 -0.007 0.000 1.407 953 W HN 0.205 nan 8.180 nan 0.000 0.393 954 M N 2.091 121.827 119.600 0.227 0.000 2.250 954 M HA 0.042 4.521 4.480 -0.003 0.000 0.325 954 M C 1.086 177.500 176.300 0.189 0.000 1.084 954 M CA 0.707 56.135 55.300 0.214 0.000 1.161 954 M CB 0.279 33.055 32.600 0.292 0.000 1.481 954 M HN 0.467 nan 8.290 nan 0.000 0.449 955 S N -0.936 114.670 115.700 -0.157 0.000 2.612 955 S HA 0.540 5.008 4.470 -0.003 0.000 0.278 955 S C 0.208 174.375 174.600 -0.721 0.000 1.082 955 S CA -0.081 57.927 58.200 -0.320 0.000 1.185 955 S CB 0.646 63.575 63.200 -0.451 0.000 1.077 955 S HN 0.857 nan 8.310 nan 0.000 0.585 956 A N 1.024 123.448 122.820 -0.661 0.000 2.549 956 A HA 0.808 5.127 4.320 -0.003 0.000 0.297 956 A C -1.467 175.995 177.584 -0.203 0.000 1.061 956 A CA -0.648 51.052 52.037 -0.561 0.000 0.690 956 A CB 1.797 20.376 19.000 -0.701 0.000 1.287 956 A HN 0.324 nan 8.150 nan 0.000 0.402 957 V N 1.117 121.000 119.914 -0.051 0.000 2.760 957 V HA 0.742 4.861 4.120 -0.003 0.000 0.309 957 V C -0.883 175.267 176.094 0.094 0.000 1.077 957 V CA -0.383 61.935 62.300 0.030 0.000 0.910 957 V CB 1.980 33.802 31.823 -0.001 0.000 1.008 957 V HN 1.040 nan 8.190 nan 0.000 0.424 958 E N 3.061 123.228 120.200 -0.056 0.000 2.331 958 E HA 0.593 4.942 4.350 -0.003 0.000 0.275 958 E C -1.521 175.056 176.600 -0.039 0.000 0.895 958 E CA -0.466 55.869 56.400 -0.109 0.000 0.753 958 E CB 1.963 31.430 29.700 -0.388 0.000 1.216 958 E HN 0.588 nan 8.360 nan 0.000 0.434 959 I N 6.160 126.784 120.570 0.090 0.000 2.312 959 I HA 0.143 4.311 4.170 -0.003 0.000 0.291 959 I C 0.970 177.220 176.117 0.222 0.000 1.031 959 I CA -0.105 61.340 61.300 0.242 0.000 1.293 959 I CB 0.688 38.843 38.000 0.259 0.000 1.403 959 I HN 0.607 nan 8.210 nan 0.000 0.484 960 L N 4.919 126.218 121.223 0.128 0.000 2.068 960 L HA 0.036 4.374 4.340 -0.003 0.000 0.204 960 L C 0.352 177.249 176.870 0.044 0.000 1.076 960 L CA 0.868 55.749 54.840 0.070 0.000 0.753 960 L CB -0.246 41.778 42.059 -0.059 0.000 0.910 960 L HN 0.724 nan 8.230 nan 0.000 0.439 961 D N -3.629 116.771 120.400 -0.001 0.000 2.713 961 D HA 0.025 4.664 4.640 -0.003 0.000 0.306 961 D C -0.233 176.057 176.300 -0.017 0.000 1.299 961 D CA -0.544 53.441 54.000 -0.026 0.000 0.823 961 D CB 0.447 41.200 40.800 -0.077 0.000 1.353 961 D HN -0.260 nan 8.370 nan 0.000 0.447 962 D N -0.448 119.947 120.400 -0.007 0.000 2.280 962 D HA -0.084 4.555 4.640 -0.003 0.000 0.206 962 D C 0.500 176.766 176.300 -0.056 0.000 0.988 962 D CA 1.486 55.509 54.000 0.037 0.000 0.886 962 D CB 0.120 40.929 40.800 0.015 0.000 0.914 962 D HN 0.330 nan 8.370 nan 0.000 0.473 963 D N -1.230 119.020 120.400 -0.250 0.000 2.597 963 D HA 0.062 4.700 4.640 -0.003 0.000 0.261 963 D C -0.142 175.650 176.300 -0.847 0.000 1.023 963 D CA 0.148 53.899 54.000 -0.416 0.000 0.927 963 D CB 0.183 40.834 40.800 -0.247 0.000 1.168 963 D HN -0.014 nan 8.370 nan 0.000 0.491 964 N N 0.472 118.754 118.700 -0.696 0.000 2.426 964 N HA 0.322 5.061 4.740 -0.003 0.000 0.275 964 N C -1.020 174.116 175.510 -0.623 0.000 1.019 964 N CA -0.151 52.517 53.050 -0.637 0.000 0.941 964 N CB 0.667 38.944 38.487 -0.351 0.000 1.123 964 N HN -0.035 nan 8.380 nan 0.000 0.486 965 F N 0.987 120.887 119.950 -0.084 0.000 2.495 965 F HA 0.459 4.985 4.527 -0.002 0.000 0.327 965 F C 0.261 175.943 175.800 -0.197 0.000 1.103 965 F CA -1.064 56.870 58.000 -0.110 0.000 0.949 965 F CB 1.857 40.822 39.000 -0.059 0.000 1.142 965 F HN 0.031 nan 8.300 nan 0.000 0.457 966 L N 2.417 123.572 121.223 -0.112 0.000 2.309 966 L HA 0.827 5.165 4.340 -0.003 0.000 0.282 966 L C -0.080 176.508 176.870 -0.471 0.000 1.036 966 L CA -0.218 54.406 54.840 -0.360 0.000 0.806 966 L CB 1.504 43.244 42.059 -0.532 0.000 1.220 966 L HN 0.845 nan 8.230 nan 0.000 0.429 967 G N 2.493 110.820 108.800 -0.789 0.000 2.569 967 G HA2 0.808 4.767 3.960 -0.003 0.000 0.300 967 G HA3 0.808 4.767 3.960 -0.003 0.000 0.300 967 G C -1.820 172.832 174.900 -0.415 0.000 1.269 967 G CA -0.399 44.175 45.100 -0.876 0.000 0.959 967 G HN 0.825 nan 8.290 nan 0.000 0.478 968 A N 0.408 123.169 122.820 -0.098 0.000 2.488 968 A HA 0.790 5.109 4.320 -0.003 0.000 0.298 968 A C -0.753 176.798 177.584 -0.055 0.000 1.044 968 A CA -0.538 51.454 52.037 -0.075 0.000 0.693 968 A CB 2.209 21.055 19.000 -0.256 0.000 1.272 968 A HN 0.925 nan 8.150 nan 0.000 0.402 969 E N 1.555 121.711 120.200 -0.074 0.000 2.429 969 E HA 0.270 4.618 4.350 -0.003 0.000 0.276 969 E C -0.865 175.562 176.600 -0.288 0.000 0.953 969 E CA -0.728 55.615 56.400 -0.095 0.000 0.787 969 E CB 0.750 30.516 29.700 0.111 0.000 1.307 969 E HN 0.363 nan 8.360 nan 0.000 0.458 970 N N 0.650 119.227 118.700 -0.206 0.000 2.659 970 N HA -0.073 4.665 4.740 -0.003 0.000 0.194 970 N C 0.808 176.010 175.510 -0.513 0.000 1.140 970 N CA 1.322 54.249 53.050 -0.204 0.000 0.936 970 N CB -0.214 38.301 38.487 0.046 0.000 0.970 970 N HN 0.519 nan 8.380 nan 0.000 0.449 971 A N -0.508 121.978 122.820 -0.556 0.000 2.387 971 A HA 0.308 4.626 4.320 -0.003 0.000 0.234 971 A C -0.201 176.937 177.584 -0.742 0.000 1.253 971 A CA -0.560 51.050 52.037 -0.711 0.000 0.894 971 A CB -0.609 18.128 19.000 -0.438 0.000 0.963 971 A HN 0.249 nan 8.150 nan 0.000 0.508 972 F N -0.668 119.156 119.950 -0.209 0.000 2.975 972 F HA -0.189 4.337 4.527 -0.003 0.000 0.319 972 F C -0.270 175.200 175.800 -0.550 0.000 0.976 972 F CA 0.167 57.953 58.000 -0.357 0.000 1.072 972 F CB -2.372 36.419 39.000 -0.348 0.000 1.165 972 F HN 0.343 nan 8.300 nan 0.000 0.758 973 N N 1.519 120.043 118.700 -0.292 0.000 2.238 973 N HA 0.764 5.502 4.740 -0.003 0.000 0.302 973 N C -0.637 174.851 175.510 -0.036 0.000 1.072 973 N CA -0.761 52.132 53.050 -0.262 0.000 0.792 973 N CB 2.418 40.604 38.487 -0.503 0.000 1.425 973 N HN 0.161 nan 8.380 nan 0.000 0.478 974 L N 1.719 122.944 121.223 0.003 0.000 2.309 974 L HA 0.620 4.958 4.340 -0.003 0.000 0.282 974 L C -0.592 176.447 176.870 0.282 0.000 1.036 974 L CA -0.984 53.862 54.840 0.011 0.000 0.806 974 L CB 0.531 42.418 42.059 -0.287 0.000 1.220 974 L HN 0.534 nan 8.230 nan 0.000 0.429 975 F N 0.781 120.853 119.950 0.202 0.000 2.588 975 F HA 0.828 5.353 4.527 -0.003 0.000 0.310 975 F C -1.000 174.942 175.800 0.235 0.000 1.082 975 F CA -1.142 57.032 58.000 0.290 0.000 0.929 975 F CB 1.237 40.382 39.000 0.242 0.000 1.254 975 F HN 0.016 nan 8.300 nan 0.000 0.455 976 V N 1.589 121.680 119.914 0.296 0.000 2.630 976 V HA 0.576 4.694 4.120 -0.003 0.000 0.305 976 V C -0.512 175.661 176.094 0.132 0.000 1.046 976 V CA -0.632 61.702 62.300 0.057 0.000 0.934 976 V CB 1.533 33.291 31.823 -0.109 0.000 1.003 976 V HN 1.079 nan 8.190 nan 0.000 0.451 977 C N 3.715 123.057 119.300 0.071 0.000 2.547 977 C HA 0.729 5.187 4.460 -0.003 0.000 0.313 977 C C -0.312 174.633 174.990 -0.075 0.000 1.191 977 C CA -0.772 58.307 59.018 0.102 0.000 1.474 977 C CB 1.449 29.351 27.740 0.270 0.000 2.081 977 C HN 1.031 nan 8.230 nan 0.000 0.476 978 Q N 2.514 122.261 119.800 -0.089 0.000 2.423 978 Q HA 0.587 4.926 4.340 -0.003 0.000 0.278 978 Q C -1.064 174.902 176.000 -0.058 0.000 1.097 978 Q CA -0.794 54.894 55.803 -0.191 0.000 0.809 978 Q CB 1.559 30.161 28.738 -0.227 0.000 1.391 978 Q HN 0.677 nan 8.270 nan 0.000 0.428 979 K N 1.587 121.958 120.400 -0.049 0.000 2.350 979 K HA 0.113 4.432 4.320 -0.003 0.000 0.279 979 K C -0.670 175.934 176.600 0.007 0.000 1.027 979 K CA -0.386 55.923 56.287 0.037 0.000 0.969 979 K CB 0.720 33.264 32.500 0.074 0.000 0.954 979 K HN 0.711 nan 8.250 nan 0.000 0.474 980 D N 1.423 121.843 120.400 0.033 0.000 2.455 980 D HA -0.034 4.604 4.640 -0.003 0.000 0.241 980 D C -0.607 175.695 176.300 0.004 0.000 1.138 980 D CA 0.221 54.228 54.000 0.013 0.000 0.877 980 D CB 0.700 41.515 40.800 0.026 0.000 1.187 980 D HN 0.470 nan 8.370 nan 0.000 0.451 981 S N 1.787 117.479 115.700 -0.012 0.000 2.560 981 S HA 0.528 4.997 4.470 -0.003 0.000 0.227 981 S C -0.243 174.350 174.600 -0.011 0.000 1.280 981 S CA -0.538 57.655 58.200 -0.012 0.000 1.260 981 S CB -0.041 63.146 63.200 -0.022 0.000 1.002 981 S HN 0.552 nan 8.310 nan 0.000 0.509 982 A N 1.192 124.007 122.820 -0.008 0.000 2.311 982 A HA 0.926 5.245 4.320 -0.003 0.000 0.334 982 A C 0.402 177.981 177.584 -0.007 0.000 1.139 982 A CA -0.658 51.372 52.037 -0.011 0.000 0.830 982 A CB 0.720 19.708 19.000 -0.019 0.000 1.234 982 A HN 0.584 nan 8.150 nan 0.000 0.483 983 A N 0.426 123.241 122.820 -0.010 0.000 2.292 983 A HA 0.606 4.925 4.320 -0.003 0.000 0.265 983 A C 0.912 178.490 177.584 -0.009 0.000 1.133 983 A CA 0.591 52.624 52.037 -0.007 0.000 0.807 983 A CB -0.778 18.217 19.000 -0.008 0.000 1.102 983 A HN 2.693 nan 8.150 nan 0.000 0.502 984 T N -2.502 112.049 114.554 -0.006 0.000 2.781 984 T HA -0.169 4.180 4.350 -0.003 0.000 0.476 984 T C 0.231 174.929 174.700 -0.003 0.000 0.785 984 T CA 1.056 63.152 62.100 -0.007 0.000 2.497 984 T CB -2.500 66.359 68.868 -0.015 0.000 1.663 984 T HN 2.289 nan 8.240 nan 0.000 0.547 985 T N -2.129 112.429 114.554 0.007 0.000 3.273 985 T HA 0.396 4.744 4.350 -0.003 0.000 0.254 985 T C 0.275 174.992 174.700 0.029 0.000 1.002 985 T CA 0.100 62.212 62.100 0.019 0.000 0.913 985 T CB 0.083 68.965 68.868 0.023 0.000 1.056 985 T HN 0.542 nan 8.240 nan 0.000 0.576 986 D N 0.208 120.622 120.400 0.023 0.000 2.670 986 D HA 0.310 4.948 4.640 -0.003 0.000 0.255 986 D C 0.933 177.253 176.300 0.034 0.000 1.286 986 D CA -0.047 53.973 54.000 0.034 0.000 0.830 986 D CB 0.629 41.445 40.800 0.027 0.000 1.065 986 D HN 0.551 nan 8.370 nan 0.000 0.486 987 E N -0.661 119.554 120.200 0.025 0.000 2.932 987 E HA 0.028 4.377 4.350 -0.003 0.000 0.275 987 E C 0.716 177.294 176.600 -0.037 0.000 1.151 987 E CA 0.178 56.575 56.400 -0.006 0.000 1.978 987 E CB -0.191 29.469 29.700 -0.066 0.000 2.499 987 E HN 0.008 nan 8.360 nan 0.000 1.028 988 E N 0.416 120.577 120.200 -0.066 0.000 2.338 988 E HA -0.112 4.236 4.350 -0.003 0.000 0.197 988 E C 1.760 178.372 176.600 0.019 0.000 1.007 988 E CA 1.020 57.378 56.400 -0.070 0.000 0.849 988 E CB 0.120 29.782 29.700 -0.063 0.000 0.774 988 E HN 0.005 nan 8.360 nan 0.000 0.506 989 R N 1.215 121.746 120.500 0.051 0.000 2.112 989 R HA -0.095 4.243 4.340 -0.003 0.000 0.216 989 R C 2.171 178.551 176.300 0.134 0.000 1.080 989 R CA 1.146 57.294 56.100 0.079 0.000 0.996 989 R CB -0.098 30.239 30.300 0.061 0.000 0.902 989 R HN -0.031 nan 8.270 nan 0.000 0.449 990 Q N -0.029 119.878 119.800 0.178 0.000 2.226 990 Q HA -0.081 4.258 4.340 -0.003 0.000 0.204 990 Q C -0.322 175.867 176.000 0.314 0.000 0.975 990 Q CA 1.370 57.316 55.803 0.239 0.000 0.866 990 Q CB 0.008 28.903 28.738 0.262 0.000 0.915 990 Q HN 0.518 nan 8.270 nan 0.000 0.440 991 H N 0.463 119.607 119.070 0.124 0.000 2.562 991 H HA 0.312 4.867 4.556 -0.003 0.000 0.314 991 H C -0.843 174.571 175.328 0.143 0.000 1.079 991 H CA -0.815 55.334 56.048 0.168 0.000 1.349 991 H CB 0.885 30.617 29.762 -0.051 0.000 1.432 991 H HN 0.115 nan 8.280 nan 0.000 0.479 992 L N 1.230 122.611 121.223 0.265 0.000 2.276 992 L HA 0.378 4.716 4.340 -0.003 0.000 0.286 992 L C -0.130 176.837 176.870 0.162 0.000 1.024 992 L CA -1.085 53.866 54.840 0.186 0.000 0.826 992 L CB 1.057 43.231 42.059 0.193 0.000 1.211 992 L HN 0.355 nan 8.230 nan 0.000 0.422 993 Q N 1.864 121.729 119.800 0.107 0.000 2.364 993 Q HA 0.221 4.559 4.340 -0.003 0.000 0.267 993 Q C -0.324 175.712 176.000 0.059 0.000 0.999 993 Q CA 0.458 56.305 55.803 0.074 0.000 0.886 993 Q CB 0.729 29.486 28.738 0.032 0.000 1.243 993 Q HN 0.601 nan 8.270 nan 0.000 0.415 994 E N 1.861 122.089 120.200 0.047 0.000 1.944 994 E HA 0.020 4.368 4.350 -0.003 0.000 0.272 994 E C 0.511 177.119 176.600 0.014 0.000 1.195 994 E CA -0.074 56.356 56.400 0.051 0.000 0.926 994 E CB 0.350 30.039 29.700 -0.018 0.000 1.051 994 E HN 0.531 nan 8.360 nan 0.000 0.404 995 V N 0.910 120.828 119.914 0.006 0.000 3.129 995 V HA 0.216 4.334 4.120 -0.003 0.000 0.259 995 V C 0.850 176.923 176.094 -0.036 0.000 1.116 995 V CA 0.572 62.841 62.300 -0.051 0.000 1.127 995 V CB 0.283 32.030 31.823 -0.127 0.000 0.742 995 V HN 0.446 nan 8.190 nan 0.000 0.474 996 G N 0.776 109.604 108.800 0.047 0.000 2.704 996 G HA2 0.656 4.614 3.960 -0.003 0.000 0.280 996 G HA3 0.656 4.614 3.960 -0.003 0.000 0.280 996 G C -1.126 174.016 174.900 0.404 0.000 1.499 996 G CA -0.568 44.625 45.100 0.155 0.000 1.146 996 G HN 0.219 nan 8.290 nan 0.000 0.558 997 L N 1.240 122.690 121.223 0.378 0.000 2.365 997 L HA 0.872 5.210 4.340 -0.003 0.000 0.267 997 L C -0.524 176.717 176.870 0.617 0.000 1.033 997 L CA -1.206 53.895 54.840 0.436 0.000 0.802 997 L CB 1.997 44.110 42.059 0.091 0.000 1.267 997 L HN 0.557 nan 8.230 nan 0.000 0.457 998 F N 0.022 120.161 119.950 0.315 0.000 2.596 998 F HA 0.122 4.647 4.527 -0.003 0.000 0.297 998 F C -1.070 174.634 175.800 -0.161 0.000 0.931 998 F CA -0.703 57.280 58.000 -0.028 0.000 1.037 998 F CB 0.283 39.034 39.000 -0.414 0.000 1.328 998 F HN 0.498 nan 8.300 nan 0.000 0.612 999 H N 7.047 125.643 119.070 -0.791 0.000 2.934 999 H HA 0.342 4.897 4.556 -0.003 0.000 0.273 999 H C 0.620 175.317 175.328 -1.051 0.000 1.121 999 H CA 0.368 55.940 56.048 -0.793 0.000 1.451 999 H CB 1.083 30.372 29.762 -0.788 0.000 1.469 999 H HN 0.831 nan 8.280 nan 0.000 0.476 1000 L N 4.092 124.851 121.223 -0.773 0.000 2.005 1000 L HA 0.020 4.358 4.340 -0.003 0.000 0.207 1000 L C 1.422 177.965 176.870 -0.547 0.000 1.072 1000 L CA 1.570 56.141 54.840 -0.448 0.000 0.744 1000 L CB -0.271 41.664 42.059 -0.208 0.000 0.895 1000 L HN 1.035 nan 8.230 nan 0.000 0.433 1001 G N -0.329 108.048 108.800 -0.705 0.000 2.138 1001 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.193 1001 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.193 1001 G C -0.264 174.476 174.900 -0.267 0.000 0.998 1001 G CA -0.194 44.677 45.100 -0.382 0.000 0.668 1001 G HN 0.374 nan 8.290 nan 0.000 0.516 1002 E N -0.937 119.118 120.200 -0.242 0.000 2.321 1002 E HA 0.397 4.746 4.350 -0.003 0.000 0.278 1002 E C -1.214 175.434 176.600 0.080 0.000 0.902 1002 E CA -0.893 55.418 56.400 -0.148 0.000 0.758 1002 E CB 1.894 31.604 29.700 0.017 0.000 1.213 1002 E HN 0.155 nan 8.360 nan 0.000 0.426 1003 F N 2.541 122.533 119.950 0.071 0.000 2.472 1003 F HA 0.175 4.700 4.527 -0.003 0.000 0.364 1003 F C -0.258 175.564 175.800 0.036 0.000 1.090 1003 F CA -0.308 57.841 58.000 0.248 0.000 1.188 1003 F CB 0.564 39.746 39.000 0.303 0.000 1.105 1003 F HN 0.087 nan 8.300 nan 0.000 0.536 1004 V N 7.310 127.051 119.914 -0.289 0.000 2.394 1004 V HA 0.196 4.315 4.120 -0.003 0.000 0.282 1004 V C 0.372 176.303 176.094 -0.272 0.000 1.031 1004 V CA -0.705 61.429 62.300 -0.275 0.000 0.881 1004 V CB 1.261 32.737 31.823 -0.578 0.000 0.982 1004 V HN 0.785 nan 8.190 nan 0.000 0.451 1005 N N 2.354 121.007 118.700 -0.078 0.000 2.387 1005 N HA 0.112 4.851 4.740 -0.003 0.000 0.176 1005 N C -0.043 175.366 175.510 -0.168 0.000 1.022 1005 N CA 0.835 53.871 53.050 -0.023 0.000 0.883 1005 N CB 1.288 39.819 38.487 0.073 0.000 1.019 1005 N HN 0.502 nan 8.380 nan 0.000 0.435 1006 V N 0.819 120.588 119.914 -0.242 0.000 2.752 1006 V HA 0.399 4.518 4.120 -0.003 0.000 0.302 1006 V C -1.682 174.267 176.094 -0.242 0.000 1.133 1006 V CA -0.782 61.392 62.300 -0.209 0.000 0.919 1006 V CB 0.970 32.760 31.823 -0.055 0.000 1.026 1006 V HN -0.062 nan 8.190 nan 0.000 0.429 1007 F N 5.660 125.598 119.950 -0.019 0.000 2.399 1007 F HA 0.844 5.369 4.527 -0.003 0.000 0.328 1007 F C 0.549 176.320 175.800 -0.048 0.000 1.084 1007 F CA -0.014 57.977 58.000 -0.016 0.000 1.053 1007 F CB 1.687 40.637 39.000 -0.085 0.000 1.209 1007 F HN 0.894 nan 8.300 nan 0.000 0.502 1008 C N -0.240 119.143 119.300 0.139 0.000 3.285 1008 C HA 0.458 4.916 4.460 -0.003 0.000 0.325 1008 C C -1.112 173.842 174.990 -0.060 0.000 1.304 1008 C CA -1.064 57.966 59.018 0.019 0.000 1.319 1008 C CB 1.294 29.080 27.740 0.077 0.000 1.640 1008 C HN 0.789 nan 8.230 nan 0.000 0.477 1009 H N 0.928 120.060 119.070 0.104 0.000 2.683 1009 H HA 0.642 5.196 4.556 -0.003 0.000 0.339 1009 H C 0.690 176.062 175.328 0.073 0.000 1.081 1009 H CA 1.605 57.700 56.048 0.078 0.000 1.432 1009 H CB 1.315 31.113 29.762 0.058 0.000 1.462 1009 H HN 1.386 nan 8.280 nan 0.000 0.557 1010 G N 0.393 109.299 108.800 0.178 0.000 2.339 1010 G HA2 0.294 4.253 3.960 -0.003 0.000 0.302 1010 G HA3 0.294 4.253 3.960 -0.003 0.000 0.302 1010 G C -1.492 173.462 174.900 0.090 0.000 1.425 1010 G CA -0.426 44.744 45.100 0.116 0.000 0.899 1010 G HN 0.631 nan 8.290 nan 0.000 0.619 1011 S N -1.470 114.271 115.700 0.068 0.000 2.550 1011 S HA 0.598 5.067 4.470 -0.003 0.000 0.270 1011 S C 0.336 174.962 174.600 0.044 0.000 1.145 1011 S CA -0.593 57.643 58.200 0.060 0.000 0.852 1011 S CB 1.517 64.750 63.200 0.056 0.000 1.119 1011 S HN 0.790 nan 8.310 nan 0.000 0.465 1012 L N 3.015 124.264 121.223 0.044 0.000 2.554 1012 L HA 0.211 4.549 4.340 -0.003 0.000 0.225 1012 L C 1.427 178.302 176.870 0.008 0.000 1.104 1012 L CA 0.313 55.169 54.840 0.026 0.000 0.866 1012 L CB 0.460 42.537 42.059 0.030 0.000 1.047 1012 L HN 0.659 nan 8.230 nan 0.000 0.468 1013 V N -5.568 114.350 119.914 0.006 0.000 3.477 1013 V HA 0.129 4.248 4.120 -0.003 0.000 0.297 1013 V C 1.608 177.690 176.094 -0.020 0.000 1.433 1013 V CA -0.224 62.068 62.300 -0.014 0.000 1.052 1013 V CB 0.136 31.944 31.823 -0.025 0.000 0.895 1013 V HN 0.221 nan 8.190 nan 0.000 0.438 1014 M N 1.954 121.547 119.600 -0.010 0.000 6.504 1014 M HA -0.023 4.456 4.480 -0.003 0.000 0.365 1014 M C 0.840 177.127 176.300 -0.022 0.000 1.031 1014 M CA 1.780 57.071 55.300 -0.015 0.000 1.056 1014 M CB -0.835 31.763 32.600 -0.004 0.000 0.985 1014 M HN 0.498 nan 8.290 nan 0.000 0.992 1024 T N -1.946 112.356 114.554 -0.419 0.000 2.541 1024 T HA 0.745 5.093 4.350 -0.003 0.000 0.222 1024 T C -0.896 173.667 174.700 -0.228 0.000 0.819 1024 T CA -0.308 61.574 62.100 -0.363 0.000 1.203 1024 T CB 1.802 70.516 68.868 -0.256 0.000 1.640 1024 T HN 0.513 nan 8.240 nan 0.000 0.507 1025 Q N -0.515 119.201 119.800 -0.141 0.000 2.541 1025 Q HA 0.458 4.796 4.340 -0.003 0.000 0.259 1025 Q C -0.487 175.485 176.000 -0.047 0.000 0.974 1025 Q CA 0.157 55.903 55.803 -0.094 0.000 0.955 1025 Q CB 1.255 29.932 28.738 -0.101 0.000 1.517 1025 Q HN 1.602 nan 8.270 nan 0.000 0.412 1026 G N 1.433 110.215 108.800 -0.030 0.000 2.855 1026 G HA2 -0.054 3.904 3.960 -0.003 0.000 0.352 1026 G HA3 -0.054 3.904 3.960 -0.003 0.000 0.352 1026 G C -0.774 174.155 174.900 0.048 0.000 1.415 1026 G CA -0.057 45.047 45.100 0.007 0.000 0.871 1026 G HN 1.019 nan 8.290 nan 0.000 0.543 1027 S N -1.650 114.116 115.700 0.110 0.000 2.561 1027 S HA 0.487 4.955 4.470 -0.003 0.000 0.292 1027 S C -0.918 173.790 174.600 0.180 0.000 1.107 1027 S CA 0.131 58.408 58.200 0.128 0.000 0.969 1027 S CB 1.155 64.414 63.200 0.100 0.000 1.150 1027 S HN 1.739 nan 8.310 nan 0.000 0.451 1028 V N 6.252 126.244 119.914 0.130 0.000 2.407 1028 V HA 0.495 4.614 4.120 -0.003 0.000 0.291 1028 V C -0.162 176.028 176.094 0.160 0.000 1.018 1028 V CA -0.626 61.723 62.300 0.081 0.000 0.842 1028 V CB 1.450 33.248 31.823 -0.041 0.000 0.996 1028 V HN 0.806 nan 8.190 nan 0.000 0.426 1029 L N 5.963 127.264 121.223 0.131 0.000 2.326 1029 L HA 0.602 4.941 4.340 -0.003 0.000 0.278 1029 L C -0.388 176.611 176.870 0.214 0.000 1.092 1029 L CA -0.222 54.670 54.840 0.086 0.000 0.810 1029 L CB 0.811 42.887 42.059 0.028 0.000 1.153 1029 L HN 0.720 nan 8.230 nan 0.000 0.439 1030 F N 0.065 120.075 119.950 0.100 0.000 2.551 1030 F HA 0.842 5.368 4.527 -0.003 0.000 0.316 1030 F C 0.045 175.807 175.800 -0.064 0.000 1.089 1030 F CA -1.038 56.963 58.000 0.001 0.000 0.915 1030 F CB 1.520 40.500 39.000 -0.033 0.000 1.186 1030 F HN 0.334 nan 8.300 nan 0.000 0.456 1031 G N 1.511 110.356 108.800 0.076 0.000 2.487 1031 G HA2 0.525 4.484 3.960 -0.003 0.000 0.314 1031 G HA3 0.525 4.484 3.960 -0.003 0.000 0.314 1031 G C -0.667 174.274 174.900 0.068 0.000 1.267 1031 G CA -0.562 44.549 45.100 0.019 0.000 0.937 1031 G HN 0.995 nan 8.290 nan 0.000 0.481 1032 T N -0.706 113.905 114.554 0.095 0.000 2.849 1032 T HA 0.345 4.694 4.350 -0.003 0.000 0.276 1032 T C 1.305 176.060 174.700 0.091 0.000 0.971 1032 T CA -0.558 61.617 62.100 0.125 0.000 0.949 1032 T CB 1.533 70.489 68.868 0.147 0.000 1.093 1032 T HN 0.108 nan 8.240 nan 0.000 0.545 1033 V N 1.149 121.141 119.914 0.129 0.000 2.591 1033 V HA -0.060 4.058 4.120 -0.003 0.000 0.249 1033 V C 2.439 178.537 176.094 0.006 0.000 1.053 1033 V CA 1.236 63.568 62.300 0.053 0.000 1.068 1033 V CB -0.783 31.047 31.823 0.012 0.000 0.689 1033 V HN 0.772 nan 8.190 nan 0.000 0.462 1034 N N 0.062 118.769 118.700 0.012 0.000 2.494 1034 N HA -0.008 4.731 4.740 -0.003 0.000 0.182 1034 N C 1.539 177.045 175.510 -0.008 0.000 1.076 1034 N CA 1.108 54.152 53.050 -0.010 0.000 0.908 1034 N CB 0.784 39.258 38.487 -0.021 0.000 0.967 1034 N HN 0.587 nan 8.380 nan 0.000 0.449 1035 G N 0.566 109.365 108.800 -0.002 0.000 2.163 1035 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.213 1035 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.213 1035 G C 0.114 175.003 174.900 -0.018 0.000 0.991 1035 G CA -0.022 45.069 45.100 -0.015 0.000 0.653 1035 G HN 0.268 nan 8.290 nan 0.000 0.518 1036 M N 1.352 120.948 119.600 -0.006 0.000 2.217 1036 M HA 0.574 5.053 4.480 -0.003 0.000 0.354 1036 M C -0.196 176.059 176.300 -0.075 0.000 1.225 1036 M CA 0.032 55.319 55.300 -0.022 0.000 1.137 1036 M CB 0.335 32.944 32.600 0.016 0.000 1.576 1036 M HN 0.156 nan 8.290 nan 0.000 0.461 1037 I N 4.279 124.768 120.570 -0.134 0.000 2.336 1037 I HA 0.481 4.649 4.170 -0.003 0.000 0.292 1037 I C 0.573 176.425 176.117 -0.441 0.000 0.991 1037 I CA -0.324 60.826 61.300 -0.250 0.000 1.227 1037 I CB 1.709 39.613 38.000 -0.160 0.000 1.366 1037 I HN 0.816 nan 8.210 nan 0.000 0.466 1038 G N 5.689 113.891 108.800 -0.996 0.000 2.600 1038 G HA2 0.748 4.706 3.960 -0.003 0.000 0.303 1038 G HA3 0.748 4.706 3.960 -0.003 0.000 0.303 1038 G C -1.806 172.433 174.900 -1.100 0.000 1.253 1038 G CA -0.504 43.782 45.100 -1.357 0.000 0.974 1038 G HN 0.391 nan 8.290 nan 0.000 0.483 1039 L N 0.880 121.839 121.223 -0.440 0.000 2.491 1039 L HA 0.586 4.924 4.340 -0.003 0.000 0.267 1039 L C -0.870 176.112 176.870 0.187 0.000 0.971 1039 L CA -0.615 54.194 54.840 -0.051 0.000 0.857 1039 L CB 1.859 43.879 42.059 -0.067 0.000 1.226 1039 L HN 0.308 nan 8.230 nan 0.000 0.408 1040 V N 4.371 124.463 119.914 0.296 0.000 2.432 1040 V HA 0.685 4.803 4.120 -0.003 0.000 0.275 1040 V C 0.131 176.322 176.094 0.163 0.000 1.043 1040 V CA 0.004 62.442 62.300 0.229 0.000 0.925 1040 V CB 1.569 33.499 31.823 0.179 0.000 0.985 1040 V HN 0.902 nan 8.190 nan 0.000 0.466 1041 T N 3.137 117.800 114.554 0.182 0.000 2.909 1041 T HA 0.458 4.806 4.350 -0.003 0.000 0.299 1041 T C -0.424 174.340 174.700 0.105 0.000 1.073 1041 T CA -0.560 61.625 62.100 0.141 0.000 0.999 1041 T CB 1.852 70.821 68.868 0.168 0.000 1.098 1041 T HN 0.545 nan 8.240 nan 0.000 0.477 1042 S N 1.595 117.312 115.700 0.028 0.000 2.565 1042 S HA 0.746 5.215 4.470 -0.003 0.000 0.290 1042 S C -0.513 174.076 174.600 -0.019 0.000 1.150 1042 S CA -0.767 57.428 58.200 -0.008 0.000 1.058 1042 S CB 0.552 63.725 63.200 -0.046 0.000 1.032 1042 S HN 0.431 nan 8.310 nan 0.000 0.510 1043 L N 1.580 122.821 121.223 0.029 0.000 2.301 1043 L HA 0.609 4.947 4.340 -0.003 0.000 0.264 1043 L C 0.132 177.029 176.870 0.045 0.000 1.016 1043 L CA -0.787 54.064 54.840 0.019 0.000 0.821 1043 L CB 1.954 44.096 42.059 0.138 0.000 1.346 1043 L HN 0.698 nan 8.230 nan 0.000 0.429 1044 S N -0.847 114.819 115.700 -0.058 0.000 2.541 1044 S HA 0.169 4.637 4.470 -0.003 0.000 0.283 1044 S C 0.865 175.372 174.600 -0.156 0.000 1.196 1044 S CA -0.672 57.497 58.200 -0.053 0.000 1.062 1044 S CB 1.520 64.678 63.200 -0.070 0.000 1.009 1044 S HN 0.737 nan 8.310 nan 0.000 0.502 1045 E N 3.382 123.350 120.200 -0.387 0.000 2.149 1045 E HA -0.352 3.996 4.350 -0.003 0.000 0.215 1045 E C 1.784 178.176 176.600 -0.347 0.000 1.055 1045 E CA 2.558 58.473 56.400 -0.809 0.000 0.870 1045 E CB -1.474 27.982 29.700 -0.407 0.000 0.764 1045 E HN 0.809 nan 8.360 nan 0.000 0.463 1046 S N -0.394 115.255 115.700 -0.085 0.000 2.382 1046 S HA -0.154 4.314 4.470 -0.003 0.000 0.228 1046 S C 1.944 176.535 174.600 -0.015 0.000 1.027 1046 S CA 1.088 59.271 58.200 -0.028 0.000 0.991 1046 S CB -0.959 62.243 63.200 0.004 0.000 0.823 1046 S HN 0.433 nan 8.310 nan 0.000 0.469 1047 W N 0.943 122.170 121.300 -0.121 0.000 2.358 1047 W HA -0.001 4.657 4.660 -0.002 0.000 0.303 1047 W C 2.429 178.923 176.519 -0.042 0.000 1.208 1047 W CA 0.914 58.208 57.345 -0.085 0.000 1.274 1047 W CB -1.164 28.244 29.460 -0.085 0.000 1.138 1047 W HN 0.444 nan 8.180 nan 0.000 0.515 1048 Y N 1.876 122.201 120.300 0.042 0.000 2.070 1048 Y HA -0.337 4.211 4.550 -0.002 0.000 0.280 1048 Y C 2.220 178.123 175.900 0.006 0.000 1.148 1048 Y CA 2.378 60.495 58.100 0.028 0.000 1.125 1048 Y CB -0.951 37.485 38.460 -0.039 0.000 0.975 1048 Y HN -0.117 nan 8.280 nan 0.000 0.492 1049 N N 0.505 119.183 118.700 -0.037 0.000 2.223 1049 N HA -0.200 4.538 4.740 -0.003 0.000 0.185 1049 N C 2.052 177.472 175.510 -0.149 0.000 1.016 1049 N CA 1.408 54.389 53.050 -0.115 0.000 0.863 1049 N CB -0.521 37.954 38.487 -0.019 0.000 0.983 1049 N HN 0.464 nan 8.380 nan 0.000 0.429 1050 L N 0.792 121.923 121.223 -0.154 0.000 2.005 1050 L HA -0.075 4.263 4.340 -0.003 0.000 0.207 1050 L C 2.102 178.867 176.870 -0.175 0.000 1.072 1050 L CA 0.966 55.690 54.840 -0.193 0.000 0.744 1050 L CB -0.138 41.737 42.059 -0.307 0.000 0.895 1050 L HN 0.069 nan 8.230 nan 0.000 0.433 1051 L N -0.782 120.353 121.223 -0.147 0.000 2.072 1051 L HA -0.228 4.111 4.340 -0.003 0.000 0.205 1051 L C 2.463 179.272 176.870 -0.102 0.000 1.079 1051 L CA 0.907 55.696 54.840 -0.084 0.000 0.752 1051 L CB -0.450 41.634 42.059 0.041 0.000 0.906 1051 L HN 0.317 nan 8.230 nan 0.000 0.436 1052 L N -0.047 121.041 121.223 -0.225 0.000 2.079 1052 L HA -0.274 4.064 4.340 -0.003 0.000 0.210 1052 L C 2.075 178.868 176.870 -0.129 0.000 1.081 1052 L CA 1.818 56.511 54.840 -0.245 0.000 0.752 1052 L CB -0.162 41.589 42.059 -0.514 0.000 0.896 1052 L HN 0.285 nan 8.230 nan 0.000 0.433 1053 D N -0.407 119.918 120.400 -0.125 0.000 2.085 1053 D HA -0.265 4.374 4.640 -0.003 0.000 0.199 1053 D C 2.231 178.494 176.300 -0.061 0.000 0.981 1053 D CA 1.513 55.467 54.000 -0.078 0.000 0.834 1053 D CB -0.138 40.615 40.800 -0.078 0.000 0.992 1053 D HN 0.278 nan 8.370 nan 0.000 0.457 1054 M N 0.202 119.754 119.600 -0.081 0.000 2.521 1054 M HA -0.222 4.257 4.480 -0.003 0.000 0.260 1054 M C 1.834 178.116 176.300 -0.030 0.000 1.068 1054 M CA 1.222 56.479 55.300 -0.071 0.000 1.060 1054 M CB 0.008 32.525 32.600 -0.138 0.000 1.398 1054 M HN 0.172 nan 8.290 nan 0.000 0.473 1055 Q N -0.097 119.684 119.800 -0.032 0.000 2.033 1055 Q HA -0.127 4.211 4.340 -0.003 0.000 0.196 1055 Q C 1.443 177.421 176.000 -0.037 0.000 0.970 1055 Q CA 1.676 57.460 55.803 -0.032 0.000 0.828 1055 Q CB 0.059 28.785 28.738 -0.019 0.000 0.895 1055 Q HN 0.645 nan 8.270 nan 0.000 0.440 1056 N N -0.311 118.378 118.700 -0.019 0.000 2.223 1056 N HA -0.124 4.614 4.740 -0.003 0.000 0.185 1056 N C 1.679 177.195 175.510 0.010 0.000 1.016 1056 N CA 0.593 53.643 53.050 -0.000 0.000 0.863 1056 N CB 0.145 38.637 38.487 0.008 0.000 0.983 1056 N HN 0.092 nan 8.380 nan 0.000 0.429 1057 R N 0.747 121.254 120.500 0.011 0.000 2.075 1057 R HA -0.019 4.319 4.340 -0.003 0.000 0.232 1057 R C 2.018 178.348 176.300 0.050 0.000 1.126 1057 R CA 0.670 56.788 56.100 0.031 0.000 0.963 1057 R CB -0.784 29.537 30.300 0.035 0.000 0.858 1057 R HN 0.330 nan 8.270 nan 0.000 0.435 1058 L N 1.362 122.618 121.223 0.055 0.000 2.362 1058 L HA -0.114 4.224 4.340 -0.003 0.000 0.219 1058 L C 1.620 178.517 176.870 0.045 0.000 1.134 1058 L CA 0.740 55.628 54.840 0.080 0.000 0.807 1058 L CB -0.212 41.906 42.059 0.099 0.000 0.927 1058 L HN 0.186 nan 8.230 nan 0.000 0.447 1059 N N -0.072 118.637 118.700 0.015 0.000 2.336 1059 N HA -0.087 4.651 4.740 -0.003 0.000 0.177 1059 N C 1.657 177.198 175.510 0.051 0.000 1.018 1059 N CA 0.799 53.865 53.050 0.027 0.000 0.878 1059 N CB 0.108 38.598 38.487 0.005 0.000 0.997 1059 N HN 0.226 nan 8.380 nan 0.000 0.433 1060 K N 0.492 120.916 120.400 0.041 0.000 2.147 1060 K HA -0.024 4.294 4.320 -0.003 0.000 0.205 1060 K C 1.866 178.484 176.600 0.031 0.000 1.049 1060 K CA 0.727 57.036 56.287 0.036 0.000 0.936 1060 K CB 0.115 32.633 32.500 0.030 0.000 0.722 1060 K HN -0.045 nan 8.250 nan 0.000 0.446 1061 V N 1.312 121.246 119.914 0.034 0.000 2.331 1061 V HA -0.073 4.046 4.120 -0.003 0.000 0.242 1061 V C 1.193 177.301 176.094 0.023 0.000 1.034 1061 V CA 0.824 63.138 62.300 0.023 0.000 1.027 1061 V CB -0.090 31.746 31.823 0.021 0.000 0.667 1061 V HN 0.189 nan 8.190 nan 0.000 0.457 1062 I N 3.222 123.819 120.570 0.045 0.000 2.436 1062 I HA 0.096 4.265 4.170 -0.003 0.000 0.289 1062 I C 0.318 176.476 176.117 0.068 0.000 1.083 1062 I CA -0.146 61.188 61.300 0.056 0.000 1.372 1062 I CB 0.455 38.509 38.000 0.090 0.000 1.408 1062 I HN 0.257 nan 8.210 nan 0.000 0.516 1063 K N 5.845 126.263 120.400 0.030 0.000 2.285 1063 K HA 0.254 4.572 4.320 -0.003 0.000 0.286 1063 K C -0.171 176.431 176.600 0.003 0.000 1.072 1063 K CA -0.323 55.972 56.287 0.014 0.000 0.913 1063 K CB 1.270 33.759 32.500 -0.020 0.000 1.067 1063 K HN 0.448 nan 8.250 nan 0.000 0.479 1064 S N 2.406 118.126 115.700 0.034 0.000 2.585 1064 S HA 0.077 4.546 4.470 -0.003 0.000 0.273 1064 S C 1.370 175.903 174.600 -0.112 0.000 1.339 1064 S CA -0.696 57.490 58.200 -0.023 0.000 1.028 1064 S CB 0.654 63.945 63.200 0.152 0.000 0.906 1064 S HN 0.375 nan 8.310 nan 0.000 0.528 1065 V N 4.142 123.935 119.914 -0.203 0.000 2.223 1065 V HA -0.009 4.110 4.120 -0.003 0.000 0.244 1065 V C 2.411 178.429 176.094 -0.126 0.000 1.045 1065 V CA 2.286 64.487 62.300 -0.165 0.000 1.000 1065 V CB -1.306 30.395 31.823 -0.203 0.000 0.635 1065 V HN 1.018 nan 8.190 nan 0.000 0.445 1066 G N -0.947 107.775 108.800 -0.130 0.000 3.124 1066 G HA2 0.016 3.974 3.960 -0.003 0.000 0.212 1066 G HA3 0.016 3.974 3.960 -0.003 0.000 0.212 1066 G C 0.512 175.344 174.900 -0.113 0.000 1.181 1066 G CA -0.112 44.929 45.100 -0.097 0.000 0.803 1066 G HN 0.403 nan 8.290 nan 0.000 0.529 1067 K N -0.611 119.700 120.400 -0.148 0.000 3.239 1067 K HA -0.158 4.160 4.320 -0.003 0.000 0.270 1067 K C -0.234 176.327 176.600 -0.064 0.000 1.083 1067 K CA 0.501 56.659 56.287 -0.216 0.000 0.782 1067 K CB -2.090 30.013 32.500 -0.663 0.000 1.290 1067 K HN 0.454 nan 8.250 nan 0.000 0.474 1068 I N 0.802 121.406 120.570 0.057 0.000 2.359 1068 I HA 0.124 4.292 4.170 -0.003 0.000 0.294 1068 I C 0.894 177.156 176.117 0.243 0.000 0.987 1068 I CA -0.788 60.602 61.300 0.150 0.000 1.225 1068 I CB 1.303 39.409 38.000 0.176 0.000 1.366 1068 I HN 0.030 nan 8.210 nan 0.000 0.466 1069 E N 3.787 124.092 120.200 0.176 0.000 2.417 1069 E HA -0.109 4.239 4.350 -0.003 0.000 0.261 1069 E C 0.889 177.620 176.600 0.219 0.000 1.000 1069 E CA 0.581 57.096 56.400 0.191 0.000 0.919 1069 E CB 0.396 30.185 29.700 0.149 0.000 0.955 1069 E HN 0.532 nan 8.360 nan 0.000 0.455 1070 H N 2.419 121.496 119.070 0.011 0.000 2.389 1070 H HA -0.105 4.449 4.556 -0.003 0.000 0.299 1070 H C 1.828 177.137 175.328 -0.032 0.000 1.081 1070 H CA 1.947 57.855 56.048 -0.235 0.000 1.345 1070 H CB 0.249 29.812 29.762 -0.332 0.000 1.393 1070 H HN 0.555 nan 8.280 nan 0.000 0.520 1071 S N -0.449 115.372 115.700 0.201 0.000 2.399 1071 S HA -0.211 4.257 4.470 -0.003 0.000 0.231 1071 S C 2.065 176.729 174.600 0.106 0.000 1.022 1071 S CA 1.072 59.369 58.200 0.161 0.000 0.983 1071 S CB -0.842 62.462 63.200 0.174 0.000 0.803 1071 S HN 0.482 nan 8.310 nan 0.000 0.480 1072 F N 2.159 122.115 119.950 0.010 0.000 2.060 1072 F HA 0.030 4.556 4.527 -0.002 0.000 0.295 1072 F C 2.355 178.137 175.800 -0.031 0.000 1.120 1072 F CA 1.401 59.404 58.000 0.004 0.000 1.205 1072 F CB -0.737 38.288 39.000 0.042 0.000 0.986 1072 F HN 0.349 nan 8.300 nan 0.000 0.470 1073 W N 1.795 123.016 121.300 -0.133 0.000 2.290 1073 W HA -0.276 4.382 4.660 -0.002 0.000 0.311 1073 W C 1.522 177.795 176.519 -0.410 0.000 1.238 1073 W CA 1.500 58.673 57.345 -0.286 0.000 1.255 1073 W CB -0.216 29.110 29.460 -0.224 0.000 1.145 1073 W HN -0.013 nan 8.180 nan 0.000 0.506 1074 R N 0.694 120.826 120.500 -0.614 0.000 2.297 1074 R HA 0.081 4.420 4.340 -0.003 0.000 0.197 1074 R C 0.732 176.745 176.300 -0.478 0.000 0.943 1074 R CA 0.232 55.870 56.100 -0.770 0.000 1.038 1074 R CB -0.400 29.538 30.300 -0.604 0.000 0.957 1074 R HN -0.082 nan 8.270 nan 0.000 0.484 1075 S N 1.603 117.083 115.700 -0.367 0.000 2.546 1075 S HA -0.038 4.430 4.470 -0.003 0.000 0.290 1075 S C -0.164 174.338 174.600 -0.164 0.000 1.290 1075 S CA -0.277 57.798 58.200 -0.208 0.000 1.069 1075 S CB 0.019 63.065 63.200 -0.256 0.000 0.846 1075 S HN 0.187 nan 8.310 nan 0.000 0.495 1076 F N 4.834 124.716 119.950 -0.113 0.000 2.519 1076 F HA 0.044 4.570 4.527 -0.003 0.000 0.381 1076 F C 0.413 176.198 175.800 -0.026 0.000 1.076 1076 F CA 0.337 58.311 58.000 -0.044 0.000 1.095 1076 F CB -0.011 38.992 39.000 0.004 0.000 1.046 1076 F HN 0.636 nan 8.300 nan 0.000 0.559 1077 H N 4.372 123.175 119.070 -0.444 0.000 2.708 1077 H HA 0.415 4.970 4.556 -0.002 0.000 0.320 1077 H C -0.535 174.597 175.328 -0.326 0.000 0.991 1077 H CA -0.223 55.629 56.048 -0.327 0.000 1.243 1077 H CB 0.919 30.434 29.762 -0.411 0.000 1.446 1077 H HN 0.633 nan 8.280 nan 0.000 0.502 1078 T N 1.243 115.394 114.554 -0.671 0.000 2.916 1078 T HA 0.209 4.557 4.350 -0.003 0.000 0.292 1078 T C 0.413 174.767 174.700 -0.577 0.000 1.064 1078 T CA -1.052 60.698 62.100 -0.582 0.000 1.011 1078 T CB 1.666 70.373 68.868 -0.269 0.000 1.152 1078 T HN 0.493 nan 8.240 nan 0.000 0.510 1079 E N 0.278 120.255 120.200 -0.371 0.000 2.528 1079 E HA 0.161 4.509 4.350 -0.003 0.000 0.237 1079 E C 1.080 177.620 176.600 -0.100 0.000 1.408 1079 E CA 0.089 56.377 56.400 -0.186 0.000 1.571 1079 E CB -0.594 29.043 29.700 -0.106 0.000 1.395 1079 E HN 0.726 nan 8.360 nan 0.000 0.438 1080 R N -0.842 119.604 120.500 -0.090 0.000 2.570 1080 R HA 0.163 4.501 4.340 -0.003 0.000 0.203 1080 R C -0.254 176.049 176.300 0.005 0.000 0.968 1080 R CA -0.162 55.922 56.100 -0.027 0.000 1.514 1080 R CB 0.099 30.389 30.300 -0.016 0.000 1.719 1080 R HN 0.051 nan 8.270 nan 0.000 0.503 1081 K N 0.384 120.791 120.400 0.010 0.000 2.575 1081 K HA 0.504 4.822 4.320 -0.003 0.000 0.279 1081 K C -1.654 175.012 176.600 0.110 0.000 0.969 1081 K CA -0.816 55.509 56.287 0.064 0.000 0.868 1081 K CB 2.394 34.937 32.500 0.072 0.000 1.457 1081 K HN -0.095 nan 8.250 nan 0.000 0.426 1082 T N 1.519 116.152 114.554 0.132 0.000 2.928 1082 T HA 0.384 4.732 4.350 -0.003 0.000 0.296 1082 T C -1.588 173.192 174.700 0.133 0.000 1.000 1082 T CA -0.677 61.521 62.100 0.164 0.000 0.989 1082 T CB 1.292 70.257 68.868 0.162 0.000 1.005 1082 T HN 0.542 nan 8.240 nan 0.000 0.442 1083 E N 3.172 123.468 120.200 0.159 0.000 2.393 1083 E HA 0.493 4.841 4.350 -0.003 0.000 0.273 1083 E C -2.684 173.987 176.600 0.118 0.000 0.918 1083 E CA -2.294 54.168 56.400 0.104 0.000 0.773 1083 E CB 2.052 31.775 29.700 0.038 0.000 1.275 1083 E HN 0.294 nan 8.360 nan 0.000 0.451 1084 P HA 0.196 nan 4.420 nan 0.000 0.276 1084 P C -0.661 176.725 177.300 0.143 0.000 1.244 1084 P CA -0.394 62.767 63.100 0.102 0.000 0.801 1084 P CB 0.573 32.334 31.700 0.103 0.000 1.006 1085 A N 2.037 124.954 122.820 0.162 0.000 2.511 1085 A HA 0.480 4.798 4.320 -0.003 0.000 0.242 1085 A C 0.530 178.292 177.584 0.297 0.000 1.069 1085 A CA 0.455 52.653 52.037 0.269 0.000 0.763 1085 A CB -0.819 18.363 19.000 0.303 0.000 1.001 1085 A HN 0.649 nan 8.150 nan 0.000 0.498 1086 T N -0.942 113.818 114.554 0.344 0.000 2.906 1086 T HA 0.617 4.966 4.350 -0.003 0.000 0.295 1086 T C 0.599 175.490 174.700 0.319 0.000 1.061 1086 T CA -0.004 62.279 62.100 0.306 0.000 1.000 1086 T CB 1.420 70.398 68.868 0.184 0.000 1.103 1086 T HN 2.327 nan 8.240 nan 0.000 0.486 1087 G N 0.647 109.611 108.800 0.272 0.000 2.341 1087 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.292 1087 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.292 1087 G C -0.279 174.527 174.900 -0.156 0.000 1.021 1087 G CA 0.162 45.235 45.100 -0.046 0.000 0.905 1087 G HN 0.802 nan 8.290 nan 0.000 0.508 1088 F N -1.411 118.705 119.950 0.277 0.000 2.628 1088 F HA 0.607 5.132 4.527 -0.003 0.000 0.309 1088 F C -0.016 175.857 175.800 0.122 0.000 1.108 1088 F CA -1.122 56.905 58.000 0.045 0.000 0.971 1088 F CB 1.825 40.669 39.000 -0.259 0.000 1.279 1088 F HN -0.006 nan 8.300 nan 0.000 0.441 1089 I N 3.166 123.890 120.570 0.257 0.000 2.503 1089 I HA 0.202 4.370 4.170 -0.003 0.000 0.282 1089 I C -1.314 174.810 176.117 0.011 0.000 1.059 1089 I CA -0.856 60.582 61.300 0.231 0.000 1.081 1089 I CB 1.607 39.823 38.000 0.360 0.000 1.210 1089 I HN 0.421 nan 8.210 nan 0.000 0.450 1090 D N 5.479 125.961 120.400 0.137 0.000 2.342 1090 D HA 0.032 4.670 4.640 -0.003 0.000 0.260 1090 D C 1.257 177.558 176.300 0.003 0.000 1.278 1090 D CA -0.426 53.606 54.000 0.053 0.000 0.910 1090 D CB 1.570 42.556 40.800 0.310 0.000 1.079 1090 D HN 0.705 nan 8.370 nan 0.000 0.496 1091 G N 2.814 111.411 108.800 -0.339 0.000 2.527 1091 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.219 1091 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.219 1091 G C 1.060 176.040 174.900 0.134 0.000 1.117 1091 G CA 0.115 45.208 45.100 -0.010 0.000 0.759 1091 G HN 0.381 nan 8.290 nan 0.000 0.556 1092 D N 0.068 120.530 120.400 0.104 0.000 2.123 1092 D HA -0.091 4.547 4.640 -0.003 0.000 0.196 1092 D C 2.344 178.779 176.300 0.224 0.000 0.992 1092 D CA 0.332 54.437 54.000 0.175 0.000 0.833 1092 D CB -0.111 40.811 40.800 0.204 0.000 0.954 1092 D HN 0.269 nan 8.370 nan 0.000 0.455 1093 L N 0.303 121.677 121.223 0.251 0.000 2.034 1093 L HA -0.120 4.218 4.340 -0.003 0.000 0.203 1093 L C 2.139 179.130 176.870 0.201 0.000 1.074 1093 L CA 0.663 55.643 54.840 0.233 0.000 0.748 1093 L CB -0.205 41.961 42.059 0.179 0.000 0.905 1093 L HN 0.001 nan 8.230 nan 0.000 0.439 1094 I N 0.594 121.285 120.570 0.201 0.000 2.143 1094 I HA -0.384 3.784 4.170 -0.003 0.000 0.245 1094 I C 2.384 178.640 176.117 0.231 0.000 1.068 1094 I CA 1.768 63.190 61.300 0.203 0.000 1.326 1094 I CB -1.210 36.958 38.000 0.280 0.000 1.028 1094 I HN 0.423 nan 8.210 nan 0.000 0.412 1095 E N -0.142 120.206 120.200 0.246 0.000 2.268 1095 E HA -0.152 4.196 4.350 -0.003 0.000 0.195 1095 E C 2.158 178.897 176.600 0.231 0.000 0.995 1095 E CA 1.011 57.556 56.400 0.241 0.000 0.836 1095 E CB -0.071 29.766 29.700 0.229 0.000 0.763 1095 E HN 0.315 nan 8.360 nan 0.000 0.491 1096 S N -0.032 115.799 115.700 0.218 0.000 2.507 1096 S HA -0.130 4.339 4.470 -0.003 0.000 0.235 1096 S C 1.473 176.183 174.600 0.184 0.000 0.988 1096 S CA 0.280 58.587 58.200 0.179 0.000 0.944 1096 S CB -0.289 63.013 63.200 0.170 0.000 0.762 1096 S HN 0.319 nan 8.310 nan 0.000 0.526 1097 F N 2.262 122.258 119.950 0.077 0.000 2.069 1097 F HA -0.023 4.503 4.527 -0.003 0.000 0.298 1097 F C 1.373 177.206 175.800 0.055 0.000 1.113 1097 F CA 1.580 59.615 58.000 0.058 0.000 1.214 1097 F CB -0.251 38.783 39.000 0.058 0.000 0.978 1097 F HN 0.191 nan 8.300 nan 0.000 0.474 1098 L N 0.197 121.551 121.223 0.219 0.000 2.737 1098 L HA -0.045 4.293 4.340 -0.003 0.000 0.246 1098 L C 0.404 177.297 176.870 0.039 0.000 1.153 1098 L CA 0.356 55.270 54.840 0.123 0.000 0.920 1098 L CB -0.731 41.449 42.059 0.201 0.000 1.090 1098 L HN 0.149 nan 8.230 nan 0.000 0.430 1099 D N -0.469 119.927 120.400 -0.006 0.000 2.500 1099 D HA 0.258 4.897 4.640 -0.003 0.000 0.218 1099 D C 0.721 176.982 176.300 -0.065 0.000 1.140 1099 D CA 0.098 54.091 54.000 -0.013 0.000 0.830 1099 D CB 0.760 41.570 40.800 0.018 0.000 1.055 1099 D HN 0.202 nan 8.370 nan 0.000 0.512 1100 I N 1.416 121.904 120.570 -0.136 0.000 2.581 1100 I HA 0.135 4.304 4.170 -0.003 0.000 0.288 1100 I C 1.024 177.043 176.117 -0.163 0.000 1.047 1100 I CA -0.839 60.367 61.300 -0.155 0.000 1.374 1100 I CB 0.917 38.793 38.000 -0.207 0.000 1.423 1100 I HN -0.198 nan 8.210 nan 0.000 0.549 1101 S N 4.333 119.962 115.700 -0.120 0.000 2.563 1101 S HA 0.085 4.553 4.470 -0.003 0.000 0.284 1101 S C 1.040 175.566 174.600 -0.123 0.000 1.331 1101 S CA -0.417 57.720 58.200 -0.106 0.000 1.047 1101 S CB 0.966 64.119 63.200 -0.079 0.000 0.859 1101 S HN 0.763 nan 8.310 nan 0.000 0.514 1102 R N 1.993 122.430 120.500 -0.104 0.000 2.120 1102 R HA -0.017 4.322 4.340 -0.003 0.000 0.234 1102 R C -0.685 175.573 176.300 -0.071 0.000 1.123 1102 R CA 1.232 57.276 56.100 -0.094 0.000 0.975 1102 R CB -1.224 29.038 30.300 -0.064 0.000 0.866 1102 R HN 0.670 nan 8.270 nan 0.000 0.446 1103 P HA -0.169 nan 4.420 nan 0.000 0.216 1103 P C 0.164 177.438 177.300 -0.043 0.000 1.150 1103 P CA 1.679 64.753 63.100 -0.043 0.000 0.837 1103 P CB 0.059 31.735 31.700 -0.040 0.000 0.786 1104 K N -1.610 118.753 120.400 -0.061 0.000 2.361 1104 K HA 0.205 4.523 4.320 -0.003 0.000 0.194 1104 K C 2.241 178.793 176.600 -0.080 0.000 1.032 1104 K CA 0.084 56.337 56.287 -0.056 0.000 1.048 1104 K CB -0.252 32.214 32.500 -0.056 0.000 0.842 1104 K HN 0.034 nan 8.250 nan 0.000 0.526 1105 M N 0.741 120.259 119.600 -0.138 0.000 2.229 1105 M HA -0.174 4.304 4.480 -0.003 0.000 0.264 1105 M C 1.687 177.972 176.300 -0.025 0.000 1.063 1105 M CA 1.452 56.624 55.300 -0.213 0.000 1.114 1105 M CB 0.235 32.644 32.600 -0.317 0.000 1.387 1105 M HN 0.114 nan 8.290 nan 0.000 0.420 1106 Q N 0.557 120.349 119.800 -0.012 0.000 2.016 1106 Q HA -0.188 4.150 4.340 -0.003 0.000 0.200 1106 Q C 1.725 177.746 176.000 0.035 0.000 0.978 1106 Q CA 1.742 57.558 55.803 0.022 0.000 0.833 1106 Q CB -0.518 28.223 28.738 0.005 0.000 0.895 1106 Q HN 0.644 nan 8.270 nan 0.000 0.427 1107 E N 0.172 120.384 120.200 0.020 0.000 2.114 1107 E HA -0.192 4.157 4.350 -0.003 0.000 0.199 1107 E C 2.102 178.728 176.600 0.043 0.000 1.008 1107 E CA 1.585 57.999 56.400 0.023 0.000 0.810 1107 E CB -0.253 29.455 29.700 0.013 0.000 0.739 1107 E HN 0.118 nan 8.360 nan 0.000 0.456 1108 V N 1.322 121.281 119.914 0.076 0.000 2.277 1108 V HA -0.207 3.911 4.120 -0.003 0.000 0.253 1108 V C 1.325 177.464 176.094 0.074 0.000 1.067 1108 V CA 1.241 63.609 62.300 0.113 0.000 1.047 1108 V CB -0.579 31.403 31.823 0.265 0.000 0.649 1108 V HN 0.037 nan 8.190 nan 0.000 0.447 1109 V N -0.154 119.803 119.914 0.071 0.000 2.385 1109 V HA 0.637 4.755 4.120 -0.003 0.000 0.269 1109 V C 0.698 176.805 176.094 0.021 0.000 1.043 1109 V CA 0.619 62.941 62.300 0.037 0.000 0.906 1109 V CB 0.598 32.444 31.823 0.039 0.000 0.995 1109 V HN 0.338 nan 8.190 nan 0.000 0.467 1110 A N 4.330 127.156 122.820 0.010 0.000 2.140 1110 A HA 0.433 4.751 4.320 -0.003 0.000 0.199 1110 A C 0.565 178.147 177.584 -0.002 0.000 1.416 1110 A CA 0.374 52.414 52.037 0.005 0.000 1.018 1110 A CB 0.321 19.325 19.000 0.006 0.000 1.117 1110 A HN 0.847 nan 8.150 nan 0.000 0.480 1123 E N 0.524 120.698 120.200 -0.044 0.000 2.446 1123 E HA 0.735 5.083 4.350 -0.003 0.000 0.276 1123 E C -1.664 174.906 176.600 -0.049 0.000 0.969 1123 E CA -1.060 55.316 56.400 -0.040 0.000 0.800 1123 E CB 2.664 32.343 29.700 -0.036 0.000 1.341 1123 E HN 0.711 nan 8.360 nan 0.000 0.460 1124 A N 1.798 124.595 122.820 -0.038 0.000 2.855 1124 A HA 0.401 4.720 4.320 -0.003 0.000 0.313 1124 A C -0.182 177.388 177.584 -0.024 0.000 1.173 1124 A CA -0.465 51.550 52.037 -0.038 0.000 0.753 1124 A CB 0.741 19.724 19.000 -0.029 0.000 1.200 1124 A HN 0.504 nan 8.150 nan 0.000 0.442 1125 T N 0.410 114.948 114.554 -0.027 0.000 3.699 1125 T HA 0.702 5.050 4.350 -0.003 0.000 0.195 1125 T C 1.525 176.231 174.700 0.010 0.000 0.717 1125 T CA 1.109 63.203 62.100 -0.009 0.000 2.349 1125 T CB 0.191 69.052 68.868 -0.013 0.000 2.324 1125 T HN 1.530 nan 8.240 nan 0.000 0.330 1126 A N 0.886 123.722 122.820 0.027 0.000 3.447 1126 A HA 0.166 4.484 4.320 -0.003 0.000 0.160 1126 A C 0.220 177.866 177.584 0.103 0.000 1.326 1126 A CA 0.594 52.673 52.037 0.069 0.000 1.399 1126 A CB -0.826 18.207 19.000 0.055 0.000 1.167 1126 A HN 0.581 nan 8.150 nan 0.000 0.527 1127 D N 0.833 121.279 120.400 0.076 0.000 2.325 1127 D HA 0.259 4.897 4.640 -0.003 0.000 0.234 1127 D C 0.460 176.801 176.300 0.068 0.000 1.122 1127 D CA 0.877 54.931 54.000 0.089 0.000 0.850 1127 D CB 0.282 41.125 40.800 0.072 0.000 0.921 1127 D HN 0.377 nan 8.370 nan 0.000 0.513 1128 D N -0.581 119.841 120.400 0.037 0.000 2.366 1128 D HA 0.042 4.681 4.640 -0.003 0.000 0.205 1128 D C 1.494 177.775 176.300 -0.033 0.000 1.022 1128 D CA 0.214 54.215 54.000 0.002 0.000 0.868 1128 D CB 0.321 41.108 40.800 -0.022 0.000 0.953 1128 D HN 0.022 nan 8.370 nan 0.000 0.514 1129 L N 0.545 121.744 121.223 -0.041 0.000 2.202 1129 L HA 0.183 4.521 4.340 -0.003 0.000 0.205 1129 L C 2.168 178.996 176.870 -0.070 0.000 1.083 1129 L CA 0.564 55.306 54.840 -0.163 0.000 0.790 1129 L CB -0.794 41.046 42.059 -0.365 0.000 0.942 1129 L HN 0.179 nan 8.230 nan 0.000 0.452 1130 I N 0.280 120.953 120.570 0.173 0.000 2.761 1130 I HA -0.358 3.810 4.170 -0.003 0.000 0.266 1130 I C 2.362 178.562 176.117 0.139 0.000 1.239 1130 I CA 1.290 62.752 61.300 0.271 0.000 1.451 1130 I CB 0.132 38.282 38.000 0.251 0.000 1.096 1130 I HN 0.245 nan 8.210 nan 0.000 0.465 1131 K N -0.641 119.800 120.400 0.069 0.000 2.287 1131 K HA 0.019 4.337 4.320 -0.003 0.000 0.199 1131 K C 1.783 178.404 176.600 0.035 0.000 1.061 1131 K CA 0.567 56.884 56.287 0.049 0.000 0.976 1131 K CB 0.288 32.808 32.500 0.034 0.000 0.898 1131 K HN 0.126 nan 8.250 nan 0.000 0.492 1132 V N 0.921 120.827 119.914 -0.013 0.000 2.379 1132 V HA -0.172 3.946 4.120 -0.003 0.000 0.245 1132 V C 2.160 178.271 176.094 0.027 0.000 1.044 1132 V CA 1.346 63.635 62.300 -0.018 0.000 1.036 1132 V CB -0.023 31.691 31.823 -0.182 0.000 0.664 1132 V HN 0.115 nan 8.190 nan 0.000 0.453 1133 V N -0.057 119.848 119.914 -0.014 0.000 2.594 1133 V HA -0.247 3.871 4.120 -0.003 0.000 0.253 1133 V C 2.391 178.553 176.094 0.113 0.000 1.069 1133 V CA 1.860 64.189 62.300 0.047 0.000 1.082 1133 V CB -0.616 31.229 31.823 0.037 0.000 0.680 1133 V HN 0.619 nan 8.190 nan 0.000 0.469 1134 E N -0.121 120.141 120.200 0.103 0.000 2.107 1134 E HA -0.177 4.171 4.350 -0.003 0.000 0.191 1134 E C 1.960 178.610 176.600 0.083 0.000 0.982 1134 E CA 0.802 57.261 56.400 0.099 0.000 0.809 1134 E CB -0.087 29.666 29.700 0.088 0.000 0.756 1134 E HN 0.663 nan 8.360 nan 0.000 0.459 1135 E N 0.103 120.354 120.200 0.087 0.000 2.533 1135 E HA -0.113 4.235 4.350 -0.003 0.000 0.203 1135 E C 1.231 177.874 176.600 0.072 0.000 1.101 1135 E CA 0.331 56.781 56.400 0.083 0.000 0.894 1135 E CB 0.172 29.950 29.700 0.131 0.000 0.843 1135 E HN 0.260 nan 8.360 nan 0.000 0.552 1136 L N -1.039 120.239 121.223 0.092 0.000 2.948 1136 L HA 0.033 4.371 4.340 -0.003 0.000 0.259 1136 L C 1.728 178.699 176.870 0.168 0.000 1.136 1136 L CA 0.323 55.218 54.840 0.092 0.000 0.959 1136 L CB 0.637 42.745 42.059 0.080 0.000 1.370 1136 L HN 0.065 nan 8.230 nan 0.000 0.552 1137 T N -2.878 111.762 114.554 0.144 0.000 3.252 1137 T HA 0.075 4.424 4.350 -0.003 0.000 0.250 1137 T C 1.172 175.876 174.700 0.008 0.000 1.123 1137 T CA 0.104 62.285 62.100 0.135 0.000 1.006 1137 T CB -0.234 68.705 68.868 0.119 0.000 0.992 1137 T HN 0.144 nan 8.240 nan 0.000 0.547 1138 R N 0.588 121.098 120.500 0.017 0.000 2.748 1138 R HA 0.448 4.786 4.340 -0.003 0.000 0.395 1138 R C 0.286 176.578 176.300 -0.012 0.000 1.128 1138 R CA -0.068 56.010 56.100 -0.038 0.000 1.042 1138 R CB 0.104 30.387 30.300 -0.027 0.000 1.392 1138 R HN 0.491 nan 8.270 nan 0.000 0.582 1139 I N -1.211 119.392 120.570 0.056 0.000 4.154 1139 I HA 0.175 4.344 4.170 -0.003 0.000 0.334 1139 I C 0.622 176.842 176.117 0.171 0.000 1.371 1139 I CA -0.341 61.025 61.300 0.110 0.000 1.110 1139 I CB 0.064 38.151 38.000 0.146 0.000 1.085 1139 I HN 0.116 nan 8.210 nan 0.000 0.398 1140 H N 0.000 119.093 119.070 0.038 0.000 2.539 1140 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 1140 H CA 0.000 56.063 56.048 0.026 0.000 1.023 1140 H CB 0.000 29.780 29.762 0.029 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496