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 3k6s_1_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPRQE QDIVFLIDGS GSISSRNFAT DATA SEQUENCE MMNFVRAVIS QFQRPSTQFS LMQFSNKFQT HFTFEEFRRS SNPLSLLASV DATA SEQUENCE HQLQGFTYTA TAIQNVVHRL FHASYGARRD AAKILIVITD GKKEGDSLDY DATA SEQUENCE KDVIPMADAA GIIRYAIGVG LAFQNRNSWK ELNDIASKPS QEHIFKVEDF DATA SEQUENCE DALKDIQNQL KEKIFAIEGT ETTSSSSFEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK YK 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 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.851 175.800 0.085 0.000 0.967 1 F CA 0.000 58.070 58.000 0.117 0.000 1.383 1 F CB 0.000 39.045 39.000 0.076 0.000 1.145 2 N N 2.242 120.908 118.700 -0.056 0.000 2.735 2 N HA 0.352 5.090 4.740 -0.004 0.000 0.312 2 N C -1.210 174.305 175.510 0.009 0.000 1.843 2 N CA -0.088 52.967 53.050 0.008 0.000 0.945 2 N CB 0.860 39.317 38.487 -0.051 0.000 1.299 2 N HN 0.416 nan 8.380 nan 0.000 0.489 3 L N 0.621 121.868 121.223 0.039 0.000 2.276 3 L HA 0.268 4.606 4.340 -0.004 0.000 0.286 3 L C 0.113 177.010 176.870 0.045 0.000 1.024 3 L CA -0.899 53.965 54.840 0.040 0.000 0.826 3 L CB 1.213 43.302 42.059 0.050 0.000 1.211 3 L HN 0.087 nan 8.230 nan 0.000 0.422 4 D N 1.916 122.338 120.400 0.038 0.000 2.493 4 D HA 0.002 4.639 4.640 -0.004 0.000 0.240 4 D C 0.119 176.437 176.300 0.030 0.000 1.142 4 D CA 0.518 54.538 54.000 0.034 0.000 0.872 4 D CB 0.937 41.754 40.800 0.030 0.000 1.173 4 D HN 0.470 nan 8.370 nan 0.000 0.467 5 T N 4.316 118.884 114.554 0.022 0.000 3.448 5 T HA 0.229 4.576 4.350 -0.004 0.000 0.271 5 T C 0.262 174.961 174.700 -0.001 0.000 1.002 5 T CA -0.575 61.530 62.100 0.008 0.000 0.995 5 T CB 0.381 69.252 68.868 0.006 0.000 1.153 5 T HN 0.356 nan 8.240 nan 0.000 0.510 6 E N 0.814 121.015 120.200 0.002 0.000 3.902 6 E HA 0.094 4.442 4.350 -0.004 0.000 0.247 6 E C -0.132 176.464 176.600 -0.006 0.000 1.284 6 E CA 0.079 56.476 56.400 -0.004 0.000 1.773 6 E CB 0.204 29.907 29.700 0.004 0.000 1.684 6 E HN 0.147 nan 8.360 nan 0.000 0.762 7 E N 2.343 122.546 120.200 0.006 0.000 2.026 7 E HA 0.315 4.662 4.350 -0.004 0.000 0.253 7 E C -0.057 176.554 176.600 0.018 0.000 1.056 7 E CA -0.139 56.265 56.400 0.007 0.000 0.927 7 E CB 0.090 29.801 29.700 0.018 0.000 1.172 7 E HN 0.113 nan 8.360 nan 0.000 0.445 8 L N -1.246 119.979 121.223 0.004 0.000 2.257 8 L HA 0.713 5.051 4.340 -0.004 0.000 0.257 8 L C 0.238 177.094 176.870 -0.022 0.000 1.033 8 L CA -1.039 53.809 54.840 0.013 0.000 0.835 8 L CB 0.879 42.944 42.059 0.010 0.000 1.398 8 L HN -0.008 nan 8.230 nan 0.000 0.429 9 T N -1.796 112.738 114.554 -0.033 0.000 2.867 9 T HA 0.899 5.246 4.350 -0.004 0.000 0.282 9 T C -0.290 174.251 174.700 -0.265 0.000 1.000 9 T CA -0.125 61.868 62.100 -0.178 0.000 1.042 9 T CB 1.459 70.219 68.868 -0.181 0.000 0.973 9 T HN 1.140 nan 8.240 nan 0.000 0.465 10 A N 2.409 124.994 122.820 -0.392 0.000 2.375 10 A HA 0.684 5.001 4.320 -0.004 0.000 0.295 10 A C -1.172 176.195 177.584 -0.362 0.000 1.066 10 A CA -0.850 51.022 52.037 -0.274 0.000 0.722 10 A CB 0.607 19.532 19.000 -0.126 0.000 1.206 10 A HN 0.722 nan 8.150 nan 0.000 0.435 11 F N 2.344 122.337 119.950 0.072 0.000 2.308 11 F HA 0.416 4.940 4.527 -0.004 0.000 0.370 11 F C 1.227 177.057 175.800 0.051 0.000 1.100 11 F CA -0.490 57.546 58.000 0.060 0.000 1.108 11 F CB 1.417 40.498 39.000 0.135 0.000 1.293 11 F HN 0.645 nan 8.300 nan 0.000 0.478 12 R N 2.036 122.594 120.500 0.095 0.000 3.256 12 R HA 0.544 4.882 4.340 -0.004 0.000 0.263 12 R C -1.568 174.602 176.300 -0.216 0.000 1.388 12 R CA -0.384 55.704 56.100 -0.020 0.000 1.580 12 R CB 0.126 30.412 30.300 -0.022 0.000 1.255 12 R HN 0.306 nan 8.270 nan 0.000 0.640 13 V N 2.391 121.964 119.914 -0.568 0.000 2.353 13 V HA 0.032 4.149 4.120 -0.004 0.000 0.264 13 V C 0.086 175.698 176.094 -0.804 0.000 1.049 13 V CA -0.490 61.303 62.300 -0.845 0.000 0.896 13 V CB 0.952 31.972 31.823 -1.338 0.000 1.025 13 V HN 0.535 nan 8.190 nan 0.000 0.475 14 D N 3.883 124.058 120.400 -0.375 0.000 2.435 14 D HA 0.151 4.788 4.640 -0.004 0.000 0.230 14 D C 0.252 176.480 176.300 -0.120 0.000 1.215 14 D CA 0.283 54.172 54.000 -0.185 0.000 0.947 14 D CB 0.503 41.243 40.800 -0.100 0.000 1.048 14 D HN 0.474 nan 8.370 nan 0.000 0.512 15 S N 2.253 117.930 115.700 -0.039 0.000 2.327 15 S HA 0.582 5.049 4.470 -0.004 0.000 0.203 15 S C 0.540 175.241 174.600 0.169 0.000 1.326 15 S CA -0.036 58.222 58.200 0.095 0.000 1.248 15 S CB 0.525 63.852 63.200 0.212 0.000 1.199 15 S HN 0.713 nan 8.310 nan 0.000 0.422 16 A N 1.598 124.489 122.820 0.119 0.000 5.090 16 A HA -0.204 4.113 4.320 -0.004 0.000 0.306 16 A C 1.490 179.167 177.584 0.155 0.000 1.990 16 A CA 0.828 52.935 52.037 0.118 0.000 0.714 16 A CB -1.794 17.267 19.000 0.102 0.000 1.281 16 A HN 1.250 nan 8.150 nan 0.000 0.362 17 G N -1.023 107.868 108.800 0.153 0.000 3.374 17 G HA2 0.422 4.379 3.960 -0.004 0.000 0.252 17 G HA3 0.422 4.379 3.960 -0.004 0.000 0.252 17 G C 0.189 175.190 174.900 0.169 0.000 1.326 17 G CA 0.744 45.930 45.100 0.144 0.000 1.133 17 G HN 1.097 nan 8.290 nan 0.000 0.528 18 F N 1.059 121.057 119.950 0.079 0.000 2.496 18 F HA 0.413 4.938 4.527 -0.004 0.000 0.344 18 F C 1.291 177.138 175.800 0.078 0.000 1.155 18 F CA 0.745 58.799 58.000 0.090 0.000 1.302 18 F CB 0.919 39.970 39.000 0.085 0.000 1.159 18 F HN 0.256 nan 8.300 nan 0.000 0.595 19 G N 4.004 112.306 108.800 -0.830 0.000 2.338 19 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.296 19 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.296 19 G C 0.289 175.118 174.900 -0.119 0.000 1.040 19 G CA 0.641 45.485 45.100 -0.427 0.000 1.004 19 G HN 0.869 nan 8.290 nan 0.000 0.509 20 D N -1.001 119.328 120.400 -0.119 0.000 2.454 20 D HA 0.283 4.920 4.640 -0.004 0.000 0.219 20 D C 0.779 177.048 176.300 -0.051 0.000 1.081 20 D CA 1.156 55.142 54.000 -0.023 0.000 0.867 20 D CB 0.623 41.430 40.800 0.012 0.000 1.054 20 D HN 0.433 nan 8.370 nan 0.000 0.500 21 S N -0.062 115.581 115.700 -0.095 0.000 2.566 21 S HA 0.602 5.070 4.470 -0.004 0.000 0.273 21 S C -1.764 172.780 174.600 -0.094 0.000 1.157 21 S CA -0.586 57.562 58.200 -0.086 0.000 0.938 21 S CB 1.246 64.392 63.200 -0.091 0.000 1.087 21 S HN -0.066 nan 8.310 nan 0.000 0.474 22 V N 4.749 124.625 119.914 -0.063 0.000 3.114 22 V HA 0.995 5.113 4.120 -0.004 0.000 0.308 22 V C -1.324 174.769 176.094 -0.002 0.000 1.168 22 V CA -0.260 62.014 62.300 -0.042 0.000 1.015 22 V CB 2.053 33.855 31.823 -0.034 0.000 1.050 22 V HN 0.975 nan 8.190 nan 0.000 0.433 23 V N 3.903 123.834 119.914 0.028 0.000 3.120 23 V HA 0.529 4.647 4.120 -0.004 0.000 0.303 23 V C -1.224 174.928 176.094 0.097 0.000 1.238 23 V CA -0.604 61.731 62.300 0.058 0.000 1.008 23 V CB 2.594 34.458 31.823 0.070 0.000 1.064 23 V HN 0.958 nan 8.190 nan 0.000 0.434 24 Q N 3.656 123.515 119.800 0.098 0.000 2.296 24 Q HA 0.211 4.548 4.340 -0.004 0.000 0.263 24 Q C -0.970 175.134 176.000 0.172 0.000 1.026 24 Q CA 0.155 56.031 55.803 0.122 0.000 0.912 24 Q CB 1.133 29.916 28.738 0.075 0.000 1.198 24 Q HN 0.691 nan 8.270 nan 0.000 0.407 25 Y N 1.749 122.091 120.300 0.069 0.000 2.356 25 Y HA 0.372 4.920 4.550 -0.004 0.000 0.341 25 Y C 0.115 176.054 175.900 0.066 0.000 1.343 25 Y CA -1.133 57.005 58.100 0.062 0.000 1.570 25 Y CB 0.449 38.971 38.460 0.104 0.000 1.558 25 Y HN 0.678 nan 8.280 nan 0.000 0.557 26 A N 2.903 125.258 122.820 -0.776 0.000 2.600 26 A HA -0.137 4.180 4.320 -0.004 0.000 0.244 26 A C 1.174 178.679 177.584 -0.131 0.000 1.016 26 A CA 0.445 52.166 52.037 -0.526 0.000 0.778 26 A CB -0.499 18.046 19.000 -0.759 0.000 0.920 26 A HN 0.891 nan 8.150 nan 0.000 0.513 27 N N 1.975 120.638 118.700 -0.061 0.000 2.202 27 N HA -0.190 4.547 4.740 -0.004 0.000 0.197 27 N C 1.699 177.242 175.510 0.055 0.000 0.995 27 N CA 2.019 55.073 53.050 0.006 0.000 0.894 27 N CB -0.378 38.101 38.487 -0.014 0.000 1.010 27 N HN 0.683 nan 8.380 nan 0.000 0.453 28 S N -1.075 114.687 115.700 0.104 0.000 2.474 28 S HA -0.030 4.438 4.470 -0.004 0.000 0.235 28 S C 0.119 174.672 174.600 -0.079 0.000 0.997 28 S CA 0.651 58.881 58.200 0.050 0.000 0.949 28 S CB 0.053 63.348 63.200 0.157 0.000 0.766 28 S HN 0.386 nan 8.310 nan 0.000 0.517 29 W N -1.141 120.248 121.300 0.147 0.000 3.032 29 W HA 0.690 5.347 4.660 -0.004 0.000 0.341 29 W C -0.971 175.665 176.519 0.195 0.000 1.202 29 W CA -0.740 56.724 57.345 0.199 0.000 1.132 29 W CB 0.993 30.630 29.460 0.293 0.000 1.465 29 W HN -0.306 nan 8.180 nan 0.000 0.576 30 V N 2.355 122.507 119.914 0.396 0.000 2.577 30 V HA 0.704 4.821 4.120 -0.004 0.000 0.303 30 V C -1.584 174.612 176.094 0.170 0.000 1.042 30 V CA -0.933 61.519 62.300 0.252 0.000 0.872 30 V CB 1.663 33.603 31.823 0.196 0.000 0.998 30 V HN 0.344 nan 8.190 nan 0.000 0.423 31 V N 7.416 127.391 119.914 0.102 0.000 2.394 31 V HA 0.575 4.692 4.120 -0.004 0.000 0.282 31 V C 0.082 176.167 176.094 -0.014 0.000 1.031 31 V CA -0.180 62.123 62.300 0.006 0.000 0.881 31 V CB 1.743 33.510 31.823 -0.092 0.000 0.982 31 V HN 0.879 nan 8.190 nan 0.000 0.451 32 V N 2.363 122.254 119.914 -0.039 0.000 2.994 32 V HA 1.049 5.166 4.120 -0.004 0.000 0.318 32 V C 0.314 176.319 176.094 -0.148 0.000 1.085 32 V CA -0.536 61.671 62.300 -0.156 0.000 0.998 32 V CB 1.757 33.355 31.823 -0.374 0.000 1.063 32 V HN 0.886 nan 8.190 nan 0.000 0.447 33 G N 0.322 108.999 108.800 -0.206 0.000 2.495 33 G HA2 0.754 4.711 3.960 -0.004 0.000 0.318 33 G HA3 0.754 4.711 3.960 -0.004 0.000 0.318 33 G C -0.539 174.297 174.900 -0.107 0.000 1.257 33 G CA -0.405 44.623 45.100 -0.121 0.000 0.962 33 G HN 1.664 nan 8.290 nan 0.000 0.483 34 A N 3.671 126.490 122.820 -0.001 0.000 3.082 34 A HA 0.673 4.990 4.320 -0.004 0.000 0.328 34 A C -1.757 175.861 177.584 0.057 0.000 1.089 34 A CA -1.151 50.935 52.037 0.082 0.000 0.802 34 A CB 1.395 20.547 19.000 0.252 0.000 1.138 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.176 nan 4.420 nan 0.000 0.216 35 P C 0.703 178.032 177.300 0.048 0.000 1.150 35 P CA 1.435 64.554 63.100 0.031 0.000 0.843 35 P CB 0.257 31.971 31.700 0.023 0.000 0.787 36 Q N -0.856 118.982 119.800 0.063 0.000 2.242 36 Q HA 0.111 4.448 4.340 -0.004 0.000 0.246 36 Q C 0.317 176.360 176.000 0.072 0.000 0.883 36 Q CA 0.121 55.963 55.803 0.065 0.000 0.984 36 Q CB -0.404 28.376 28.738 0.070 0.000 1.096 36 Q HN 0.140 nan 8.270 nan 0.000 0.452 37 K N 1.563 122.006 120.400 0.072 0.000 2.222 37 K HA 0.173 4.491 4.320 -0.004 0.000 0.243 37 K C -0.631 175.994 176.600 0.042 0.000 1.160 37 K CA -0.265 56.067 56.287 0.075 0.000 1.090 37 K CB -0.202 32.355 32.500 0.095 0.000 1.694 37 K HN 0.279 nan 8.250 nan 0.000 0.361 38 I N 3.332 123.925 120.570 0.038 0.000 3.089 38 I HA -0.192 3.975 4.170 -0.004 0.000 0.321 38 I C 0.368 176.493 176.117 0.013 0.000 1.222 38 I CA 1.077 62.391 61.300 0.023 0.000 1.452 38 I CB -0.055 37.958 38.000 0.021 0.000 1.321 38 I HN 0.556 nan 8.210 nan 0.000 0.539 39 T N 3.593 118.150 114.554 0.004 0.000 3.011 39 T HA 0.713 5.061 4.350 -0.004 0.000 0.303 39 T C -0.026 174.671 174.700 -0.005 0.000 0.997 39 T CA -0.107 61.989 62.100 -0.005 0.000 1.007 39 T CB 1.868 70.725 68.868 -0.019 0.000 1.017 39 T HN 1.263 nan 8.240 nan 0.000 0.443 40 A N 2.473 125.289 122.820 -0.006 0.000 5.691 40 A HA 0.256 4.573 4.320 -0.004 0.000 0.271 40 A C 0.745 178.325 177.584 -0.006 0.000 2.133 40 A CA 0.104 52.137 52.037 -0.007 0.000 0.713 40 A CB -1.691 17.305 19.000 -0.007 0.000 1.115 40 A HN 2.559 nan 8.150 nan 0.000 0.356 41 A N 0.227 123.042 122.820 -0.008 0.000 2.391 41 A HA 0.522 4.839 4.320 -0.004 0.000 0.316 41 A C 0.608 178.181 177.584 -0.019 0.000 1.381 41 A CA 0.493 52.522 52.037 -0.013 0.000 0.998 41 A CB -0.809 18.182 19.000 -0.014 0.000 1.147 41 A HN 1.673 nan 8.150 nan 0.000 0.545 42 N N 1.209 119.896 118.700 -0.022 0.000 2.698 42 N HA -0.209 4.529 4.740 -0.004 0.000 0.258 42 N C 0.365 175.859 175.510 -0.026 0.000 0.978 42 N CA 1.586 54.616 53.050 -0.033 0.000 0.777 42 N CB -0.591 37.856 38.487 -0.065 0.000 0.907 42 N HN 0.948 nan 8.380 nan 0.000 0.543 43 Q N -0.693 119.106 119.800 -0.002 0.000 3.071 43 Q HA 0.294 4.632 4.340 -0.004 0.000 0.204 43 Q C 1.053 177.073 176.000 0.033 0.000 1.165 43 Q CA 0.017 55.831 55.803 0.018 0.000 0.372 43 Q CB 0.420 29.167 28.738 0.015 0.000 5.650 43 Q HN 0.419 nan 8.270 nan 0.000 0.309 44 T N -2.587 111.986 114.554 0.030 0.000 2.833 44 T HA 0.484 4.831 4.350 -0.004 0.000 0.312 44 T C 0.776 175.486 174.700 0.017 0.000 1.085 44 T CA -0.090 62.030 62.100 0.033 0.000 0.955 44 T CB 0.554 69.434 68.868 0.021 0.000 1.353 44 T HN 0.635 nan 8.240 nan 0.000 0.544 45 G N -1.158 107.645 108.800 0.005 0.000 2.478 45 G HA2 0.623 4.580 3.960 -0.004 0.000 0.211 45 G HA3 0.623 4.580 3.960 -0.004 0.000 0.211 45 G C 0.509 175.381 174.900 -0.045 0.000 1.726 45 G CA -0.014 45.087 45.100 0.001 0.000 0.725 45 G HN 1.622 nan 8.290 nan 0.000 0.654 46 G N -1.245 107.506 108.800 -0.083 0.000 2.317 46 G HA2 0.357 4.314 3.960 -0.004 0.000 0.445 46 G HA3 0.357 4.314 3.960 -0.004 0.000 0.445 46 G C -1.385 173.383 174.900 -0.220 0.000 1.486 46 G CA -0.732 44.255 45.100 -0.188 0.000 0.991 46 G HN 0.554 nan 8.290 nan 0.000 0.660 47 L N -0.380 120.651 121.223 -0.320 0.000 2.313 47 L HA 0.825 5.162 4.340 -0.004 0.000 0.268 47 L C -0.901 175.726 176.870 -0.406 0.000 1.010 47 L CA -1.197 53.487 54.840 -0.260 0.000 0.814 47 L CB 2.077 44.012 42.059 -0.206 0.000 1.304 47 L HN 0.578 nan 8.230 nan 0.000 0.441 48 Y N 0.033 120.323 120.300 -0.017 0.000 2.396 48 Y HA 0.291 4.838 4.550 -0.004 0.000 0.332 48 Y C -0.523 175.363 175.900 -0.024 0.000 1.034 48 Y CA -0.921 57.189 58.100 0.018 0.000 1.057 48 Y CB 2.095 40.660 38.460 0.174 0.000 1.220 48 Y HN 0.457 nan 8.280 nan 0.000 0.440 49 Q N 2.010 121.891 119.800 0.134 0.000 2.271 49 Q HA 0.791 5.129 4.340 -0.004 0.000 0.258 49 Q C -1.322 174.848 176.000 0.283 0.000 0.936 49 Q CA -0.579 55.299 55.803 0.125 0.000 0.909 49 Q CB 1.606 30.265 28.738 -0.131 0.000 1.253 49 Q HN 0.618 nan 8.270 nan 0.000 0.440 50 c N 2.497 121.252 118.600 0.258 0.000 2.498 50 c HA 0.876 5.443 4.570 -0.004 0.000 0.316 50 c C 0.449 174.512 174.090 -0.046 0.000 1.209 50 c CA -0.480 55.786 56.329 -0.105 0.000 1.518 50 c CB 1.170 43.124 42.510 -0.926 0.000 2.147 50 c HN 1.014 nan 8.230 nan 0.000 0.483 51 G N 0.157 108.805 108.800 -0.253 0.000 2.441 51 G HA2 0.469 4.427 3.960 -0.004 0.000 0.334 51 G HA3 0.469 4.427 3.960 -0.004 0.000 0.334 51 G C -0.228 174.679 174.900 0.012 0.000 1.161 51 G CA -0.167 44.655 45.100 -0.464 0.000 0.935 51 G HN 0.792 nan 8.290 nan 0.000 0.488 52 Y N 0.913 121.156 120.300 -0.096 0.000 2.243 52 Y HA -0.032 4.515 4.550 -0.004 0.000 0.293 52 Y C 2.870 178.762 175.900 -0.013 0.000 1.124 52 Y CA 2.066 60.182 58.100 0.026 0.000 1.159 52 Y CB -0.095 38.357 38.460 -0.014 0.000 1.008 52 Y HN 0.455 nan 8.280 nan 0.000 0.527 53 S N -0.235 115.410 115.700 -0.092 0.000 2.401 53 S HA -0.247 4.220 4.470 -0.004 0.000 0.236 53 S C 0.895 175.368 174.600 -0.212 0.000 1.058 53 S CA 2.001 60.110 58.200 -0.152 0.000 1.151 53 S CB -1.217 61.934 63.200 -0.082 0.000 1.049 53 S HN 0.666 nan 8.310 nan 0.000 0.432 54 T N -0.342 114.138 114.554 -0.124 0.000 2.779 54 T HA 0.619 4.967 4.350 -0.004 0.000 0.280 54 T C 0.089 174.797 174.700 0.012 0.000 0.987 54 T CA -0.476 61.578 62.100 -0.077 0.000 0.966 54 T CB 1.737 70.587 68.868 -0.029 0.000 0.933 54 T HN 0.239 nan 8.240 nan 0.000 0.442 55 G N 1.858 110.650 108.800 -0.013 0.000 2.852 55 G HA2 0.513 4.471 3.960 -0.004 0.000 0.280 55 G HA3 0.513 4.471 3.960 -0.004 0.000 0.280 55 G C 0.043 175.102 174.900 0.266 0.000 0.731 55 G CA -0.197 44.966 45.100 0.105 0.000 2.037 55 G HN 1.256 nan 8.290 nan 0.000 0.560 56 A N 0.837 123.901 122.820 0.406 0.000 2.605 56 A HA 0.604 4.922 4.320 -0.004 0.000 0.294 56 A C -0.832 176.761 177.584 0.015 0.000 1.062 56 A CA -0.593 51.553 52.037 0.182 0.000 0.682 56 A CB 0.982 20.028 19.000 0.076 0.000 1.278 56 A HN 0.621 nan 8.150 nan 0.000 0.410 57 c N 1.798 120.352 118.600 -0.076 0.000 2.322 57 c HA 0.732 5.299 4.570 -0.004 0.000 0.324 57 c C -0.205 173.880 174.090 -0.007 0.000 1.284 57 c CA -0.645 55.605 56.329 -0.132 0.000 1.606 57 c CB 0.711 43.055 42.510 -0.277 0.000 2.251 57 c HN 0.758 nan 8.230 nan 0.000 0.502 58 E N 3.191 123.475 120.200 0.139 0.000 2.175 58 E HA 0.363 4.710 4.350 -0.004 0.000 0.278 58 E C -2.342 174.437 176.600 0.298 0.000 0.969 58 E CA -1.973 54.535 56.400 0.181 0.000 0.796 58 E CB 1.127 30.919 29.700 0.154 0.000 1.104 58 E HN 0.398 nan 8.360 nan 0.000 0.395 59 P HA 0.072 nan 4.420 nan 0.000 0.268 59 P C -0.170 177.094 177.300 -0.060 0.000 1.208 59 P CA 0.157 63.318 63.100 0.101 0.000 0.777 59 P CB 0.596 32.333 31.700 0.061 0.000 0.875 60 I N 0.992 121.442 120.570 -0.201 0.000 2.404 60 I HA 0.479 4.646 4.170 -0.004 0.000 0.293 60 I C 0.437 176.429 176.117 -0.209 0.000 0.992 60 I CA -0.695 60.483 61.300 -0.204 0.000 1.149 60 I CB 1.247 39.099 38.000 -0.246 0.000 1.315 60 I HN 0.340 nan 8.210 nan 0.000 0.446 61 G N 7.869 116.566 108.800 -0.173 0.000 2.365 61 G HA2 0.442 4.399 3.960 -0.004 0.000 0.249 61 G HA3 0.442 4.399 3.960 -0.004 0.000 0.249 61 G C -0.926 173.855 174.900 -0.197 0.000 1.288 61 G CA -0.207 44.798 45.100 -0.158 0.000 0.887 61 G HN 0.575 nan 8.290 nan 0.000 0.524 62 L N 1.400 122.498 121.223 -0.207 0.000 2.482 62 L HA 0.265 4.603 4.340 -0.004 0.000 0.263 62 L C -0.817 175.928 176.870 -0.208 0.000 0.957 62 L CA -0.906 53.770 54.840 -0.274 0.000 0.836 62 L CB 2.645 44.460 42.059 -0.407 0.000 1.324 62 L HN 0.410 nan 8.230 nan 0.000 0.406 63 Q N 2.292 121.983 119.800 -0.182 0.000 2.810 63 Q HA 0.276 4.614 4.340 -0.004 0.000 0.236 63 Q C -0.642 175.320 176.000 -0.064 0.000 1.278 63 Q CA -0.187 55.559 55.803 -0.093 0.000 1.065 63 Q CB 0.791 29.503 28.738 -0.043 0.000 1.364 63 Q HN 0.300 nan 8.270 nan 0.000 0.570 64 V N 3.704 123.567 119.914 -0.084 0.000 2.421 64 V HA 0.135 4.253 4.120 -0.004 0.000 0.271 64 V C -1.843 174.271 176.094 0.033 0.000 1.031 64 V CA -1.430 60.862 62.300 -0.014 0.000 1.032 64 V CB -0.148 31.650 31.823 -0.041 0.000 1.009 64 V HN 0.514 nan 8.190 nan 0.000 0.477 65 P HA 0.201 nan 4.420 nan 0.000 0.268 65 P C -2.025 175.299 177.300 0.040 0.000 1.205 65 P CA -1.390 61.740 63.100 0.050 0.000 0.771 65 P CB 0.156 31.889 31.700 0.055 0.000 0.858 66 P HA -0.182 nan 4.420 nan 0.000 0.219 66 P C 1.222 178.542 177.300 0.033 0.000 1.146 66 P CA 1.327 64.441 63.100 0.024 0.000 0.808 66 P CB 0.056 31.765 31.700 0.015 0.000 0.779 67 E N 0.294 120.513 120.200 0.032 0.000 2.038 67 E HA -0.098 4.249 4.350 -0.004 0.000 0.195 67 E C 1.128 177.761 176.600 0.055 0.000 1.000 67 E CA 0.900 57.321 56.400 0.035 0.000 0.803 67 E CB -1.107 28.600 29.700 0.012 0.000 0.750 67 E HN 0.145 nan 8.360 nan 0.000 0.448 68 A N 2.377 125.230 122.820 0.056 0.000 2.438 68 A HA 0.310 4.628 4.320 -0.004 0.000 0.280 68 A C 0.040 177.680 177.584 0.093 0.000 1.160 68 A CA -0.055 52.027 52.037 0.075 0.000 0.821 68 A CB 0.156 19.205 19.000 0.081 0.000 1.101 68 A HN -0.031 nan 8.150 nan 0.000 0.515 69 V N 3.018 123.006 119.914 0.124 0.000 2.864 69 V HA 0.323 4.441 4.120 -0.004 0.000 0.314 69 V C 0.930 177.141 176.094 0.194 0.000 1.073 69 V CA -0.558 61.813 62.300 0.120 0.000 0.956 69 V CB 1.608 33.487 31.823 0.093 0.000 1.023 69 V HN 1.049 nan 8.190 nan 0.000 0.435 70 N N 2.218 120.982 118.700 0.106 0.000 2.696 70 N HA -0.252 4.485 4.740 -0.004 0.000 0.254 70 N C 0.884 176.543 175.510 0.249 0.000 0.988 70 N CA 1.525 54.643 53.050 0.113 0.000 0.775 70 N CB -0.400 38.011 38.487 -0.127 0.000 0.933 70 N HN 0.854 nan 8.380 nan 0.000 0.539 71 M N -2.237 117.468 119.600 0.174 0.000 2.514 71 M HA 0.164 4.642 4.480 -0.004 0.000 0.258 71 M C 0.273 176.635 176.300 0.104 0.000 1.119 71 M CA 0.627 56.009 55.300 0.137 0.000 1.111 71 M CB 0.165 32.830 32.600 0.108 0.000 1.390 71 M HN 0.052 nan 8.290 nan 0.000 0.475 72 S N 3.005 118.760 115.700 0.091 0.000 3.242 72 S HA -0.083 4.384 4.470 -0.004 0.000 0.357 72 S C 0.114 174.745 174.600 0.052 0.000 0.897 72 S CA 0.541 58.780 58.200 0.065 0.000 1.349 72 S CB -2.232 61.009 63.200 0.068 0.000 0.981 72 S HN 0.668 nan 8.310 nan 0.000 0.558 73 L N -0.774 120.482 121.223 0.055 0.000 2.476 73 L HA 0.810 5.147 4.340 -0.004 0.000 0.255 73 L C 1.503 178.382 176.870 0.015 0.000 1.218 73 L CA 0.700 55.577 54.840 0.062 0.000 0.819 73 L CB -0.172 41.959 42.059 0.121 0.000 1.119 73 L HN 0.682 nan 8.230 nan 0.000 0.485 74 G N -0.145 108.658 108.800 0.005 0.000 2.268 74 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.240 74 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.240 74 G C 0.656 175.523 174.900 -0.054 0.000 1.010 74 G CA 0.491 45.573 45.100 -0.030 0.000 0.618 74 G HN 0.966 nan 8.290 nan 0.000 0.516 75 L N 1.641 122.830 121.223 -0.057 0.000 2.043 75 L HA 0.346 4.684 4.340 -0.004 0.000 0.212 75 L C 1.414 178.179 176.870 -0.175 0.000 1.075 75 L CA 2.838 57.615 54.840 -0.105 0.000 0.752 75 L CB -0.256 41.742 42.059 -0.101 0.000 0.891 75 L HN 0.554 nan 8.230 nan 0.000 0.432 76 S N -0.900 114.702 115.700 -0.163 0.000 2.478 76 S HA 0.656 5.124 4.470 -0.004 0.000 0.312 76 S C -0.750 173.798 174.600 -0.087 0.000 1.094 76 S CA -0.812 57.278 58.200 -0.183 0.000 1.081 76 S CB 0.519 63.581 63.200 -0.230 0.000 1.007 76 S HN 0.188 nan 8.310 nan 0.000 0.475 77 L N 2.951 124.137 121.223 -0.062 0.000 2.327 77 L HA 1.000 5.338 4.340 -0.004 0.000 0.258 77 L C -0.535 176.365 176.870 0.051 0.000 1.024 77 L CA -0.914 53.926 54.840 0.000 0.000 0.825 77 L CB 2.201 44.258 42.059 -0.004 0.000 1.386 77 L HN 0.809 nan 8.230 nan 0.000 0.417 78 A N 0.919 123.822 122.820 0.139 0.000 2.583 78 A HA 0.649 4.966 4.320 -0.004 0.000 0.298 78 A C -1.435 176.422 177.584 0.455 0.000 1.055 78 A CA -0.360 51.837 52.037 0.267 0.000 0.714 78 A CB 1.856 21.013 19.000 0.263 0.000 1.277 78 A HN 0.463 nan 8.150 nan 0.000 0.406 79 S N 0.080 115.947 115.700 0.280 0.000 2.549 79 S HA 0.865 5.333 4.470 -0.004 0.000 0.280 79 S C -0.407 173.901 174.600 -0.488 0.000 1.109 79 S CA 0.293 58.463 58.200 -0.050 0.000 0.905 79 S CB 1.939 65.176 63.200 0.062 0.000 1.081 79 S HN 1.648 nan 8.310 nan 0.000 0.477 80 T N 0.466 114.425 114.554 -0.993 0.000 2.940 80 T HA 0.640 4.988 4.350 -0.004 0.000 0.288 80 T C 1.047 175.517 174.700 -0.382 0.000 1.045 80 T CA 0.233 61.873 62.100 -0.767 0.000 1.018 80 T CB 1.339 69.556 68.868 -1.085 0.000 1.151 80 T HN 0.854 nan 8.240 nan 0.000 0.529 81 T N -1.196 113.218 114.554 -0.232 0.000 2.964 81 T HA 0.195 4.542 4.350 -0.004 0.000 0.249 81 T C 1.865 176.500 174.700 -0.108 0.000 1.000 81 T CA 0.673 62.684 62.100 -0.148 0.000 0.992 81 T CB -0.411 68.400 68.868 -0.095 0.000 1.087 81 T HN 0.456 nan 8.240 nan 0.000 0.489 82 S N 3.376 119.024 115.700 -0.087 0.000 2.506 82 S HA -0.059 4.409 4.470 -0.004 0.000 0.312 82 S C -1.603 172.970 174.600 -0.044 0.000 1.079 82 S CA 1.086 59.260 58.200 -0.043 0.000 1.755 82 S CB -1.620 61.572 63.200 -0.014 0.000 1.371 82 S HN 0.492 nan 8.310 nan 0.000 0.430 83 P HA 0.331 nan 4.420 nan 0.000 0.288 83 P C -0.985 176.263 177.300 -0.087 0.000 1.267 83 P CA -0.360 62.713 63.100 -0.045 0.000 0.815 83 P CB 0.933 32.625 31.700 -0.013 0.000 0.989 84 S N 2.704 118.337 115.700 -0.112 0.000 2.509 84 S HA 0.152 4.619 4.470 -0.004 0.000 0.287 84 S C -0.172 174.353 174.600 -0.126 0.000 1.248 84 S CA -0.256 57.837 58.200 -0.179 0.000 1.089 84 S CB -0.324 62.729 63.200 -0.245 0.000 0.900 84 S HN 0.415 nan 8.310 nan 0.000 0.496 85 Q N 1.543 121.265 119.800 -0.130 0.000 2.501 85 Q HA 0.716 5.054 4.340 -0.004 0.000 0.288 85 Q C -1.286 174.791 176.000 0.128 0.000 1.051 85 Q CA -0.914 54.917 55.803 0.047 0.000 0.788 85 Q CB 2.374 31.190 28.738 0.129 0.000 1.469 85 Q HN 0.751 nan 8.270 nan 0.000 0.416 86 L N 1.011 122.433 121.223 0.333 0.000 2.327 86 L HA 0.748 5.086 4.340 -0.004 0.000 0.258 86 L C -2.067 175.008 176.870 0.343 0.000 1.024 86 L CA -1.041 54.004 54.840 0.341 0.000 0.825 86 L CB 2.244 44.431 42.059 0.213 0.000 1.386 86 L HN 0.597 nan 8.230 nan 0.000 0.417 87 L N 2.866 124.268 121.223 0.298 0.000 2.516 87 L HA 0.858 5.196 4.340 -0.004 0.000 0.267 87 L C -1.183 175.748 176.870 0.102 0.000 0.957 87 L CA 0.018 54.966 54.840 0.180 0.000 0.860 87 L CB 1.541 43.664 42.059 0.106 0.000 1.265 87 L HN 0.702 nan 8.230 nan 0.000 0.403 88 A N 3.466 126.344 122.820 0.096 0.000 2.350 88 A HA 0.957 5.275 4.320 -0.004 0.000 0.318 88 A C -1.158 176.479 177.584 0.088 0.000 1.132 88 A CA -0.461 51.628 52.037 0.086 0.000 0.811 88 A CB 1.602 20.658 19.000 0.093 0.000 1.313 88 A HN 0.768 nan 8.150 nan 0.000 0.454 89 c N -0.504 118.127 118.600 0.052 0.000 2.880 89 c HA 0.701 5.268 4.570 -0.004 0.000 0.320 89 c C 0.540 174.646 174.090 0.028 0.000 1.176 89 c CA -0.460 55.868 56.329 -0.001 0.000 1.390 89 c CB 1.592 44.071 42.510 -0.052 0.000 1.846 89 c HN 1.193 nan 8.230 nan 0.000 0.478 90 G N 2.361 111.176 108.800 0.024 0.000 3.005 90 G HA2 0.486 4.443 3.960 -0.004 0.000 0.342 90 G HA3 0.486 4.443 3.960 -0.004 0.000 0.342 90 G C -2.330 172.578 174.900 0.014 0.000 1.101 90 G CA -0.913 44.212 45.100 0.041 0.000 1.225 90 G HN 0.561 nan 8.290 nan 0.000 0.462 91 P HA 0.110 nan 4.420 nan 0.000 0.269 91 P C 0.765 178.102 177.300 0.062 0.000 1.461 91 P CA 0.524 63.660 63.100 0.061 0.000 0.809 91 P CB 0.257 32.041 31.700 0.140 0.000 1.503 92 T N -5.422 109.152 114.554 0.033 0.000 3.714 92 T HA 0.174 4.521 4.350 -0.004 0.000 0.309 92 T C 0.148 174.803 174.700 -0.076 0.000 0.958 92 T CA -0.318 61.777 62.100 -0.009 0.000 1.010 92 T CB -0.810 68.120 68.868 0.103 0.000 1.202 92 T HN -0.276 nan 8.240 nan 0.000 0.476 93 V N 2.534 122.426 119.914 -0.037 0.000 2.788 93 V HA 0.167 4.285 4.120 -0.004 0.000 0.307 93 V C 0.046 176.092 176.094 -0.079 0.000 1.069 93 V CA 0.258 62.573 62.300 0.026 0.000 1.173 93 V CB -0.313 31.525 31.823 0.025 0.000 0.925 93 V HN 0.631 nan 8.190 nan 0.000 0.492 94 H N 2.771 121.894 119.070 0.088 0.000 2.638 94 H HA 0.548 5.102 4.556 -0.004 0.000 0.317 94 H C -0.241 175.147 175.328 0.101 0.000 1.006 94 H CA -0.540 55.546 56.048 0.062 0.000 1.222 94 H CB 0.734 30.506 29.762 0.017 0.000 1.419 94 H HN 0.923 nan 8.280 nan 0.000 0.489 95 H N 0.155 119.289 119.070 0.107 0.000 2.539 95 H HA 0.312 4.865 4.556 -0.004 0.000 0.332 95 H C -0.655 174.720 175.328 0.080 0.000 1.031 95 H CA -1.167 54.930 56.048 0.081 0.000 1.206 95 H CB 0.997 30.794 29.762 0.058 0.000 1.446 95 H HN 0.605 nan 8.280 nan 0.000 0.496 96 E N 2.916 123.146 120.200 0.050 0.000 2.070 96 E HA 0.165 4.512 4.350 -0.004 0.000 0.282 96 E C -0.448 176.169 176.600 0.029 0.000 1.104 96 E CA -0.628 55.764 56.400 -0.014 0.000 0.876 96 E CB 0.517 30.217 29.700 0.000 0.000 1.055 96 E HN 0.637 nan 8.360 nan 0.000 0.401 97 c N 3.888 122.490 118.600 0.004 0.000 2.614 97 c HA 0.379 4.946 4.570 -0.004 0.000 0.299 97 c C 1.416 175.520 174.090 0.022 0.000 1.293 97 c CA 0.297 56.672 56.329 0.076 0.000 1.713 97 c CB -1.504 41.114 42.510 0.181 0.000 1.890 97 c HN 1.102 nan 8.230 nan 0.000 0.602 98 G N 2.554 111.340 108.800 -0.022 0.000 3.298 98 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.260 98 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.260 98 G C 1.179 176.037 174.900 -0.071 0.000 1.681 98 G CA 0.323 45.394 45.100 -0.049 0.000 1.094 98 G HN 0.405 nan 8.290 nan 0.000 0.575 99 R N 1.728 122.184 120.500 -0.074 0.000 2.112 99 R HA -0.119 4.218 4.340 -0.004 0.000 0.242 99 R C 0.695 176.941 176.300 -0.090 0.000 1.137 99 R CA 2.236 58.291 56.100 -0.075 0.000 0.944 99 R CB -0.810 29.459 30.300 -0.050 0.000 0.857 99 R HN 1.077 nan 8.270 nan 0.000 0.435 100 N N 0.396 119.014 118.700 -0.137 0.000 2.371 100 N HA 0.225 4.962 4.740 -0.004 0.000 0.280 100 N C -0.616 174.577 175.510 -0.527 0.000 1.084 100 N CA -1.037 51.848 53.050 -0.275 0.000 0.892 100 N CB 1.253 39.580 38.487 -0.266 0.000 1.653 100 N HN 0.300 nan 8.380 nan 0.000 0.480 101 M N -0.323 118.987 119.600 -0.483 0.000 2.245 101 M HA 0.637 5.114 4.480 -0.004 0.000 0.292 101 M C -0.988 174.826 176.300 -0.809 0.000 1.176 101 M CA -0.159 54.830 55.300 -0.520 0.000 1.035 101 M CB 0.731 33.207 32.600 -0.207 0.000 1.440 101 M HN 0.519 nan 8.290 nan 0.000 0.494 102 Y N -0.792 119.319 120.300 -0.315 0.000 2.974 102 Y HA 0.742 5.289 4.550 -0.005 0.000 0.310 102 Y C -1.069 174.702 175.900 -0.215 0.000 1.526 102 Y CA -1.092 56.885 58.100 -0.206 0.000 1.087 102 Y CB 1.460 39.836 38.460 -0.140 0.000 1.404 102 Y HN 0.529 nan 8.280 nan 0.000 0.491 103 L N 0.366 121.630 121.223 0.069 0.000 2.406 103 L HA 0.431 4.769 4.340 -0.004 0.000 0.272 103 L C 0.249 177.125 176.870 0.009 0.000 0.980 103 L CA -0.204 54.605 54.840 -0.051 0.000 0.831 103 L CB 2.080 44.075 42.059 -0.107 0.000 1.253 103 L HN 0.836 nan 8.230 nan 0.000 0.406 104 T N 1.018 115.586 114.554 0.024 0.000 3.056 104 T HA 0.435 4.782 4.350 -0.004 0.000 0.243 104 T C 0.637 175.284 174.700 -0.089 0.000 0.995 104 T CA 0.627 62.703 62.100 -0.040 0.000 1.091 104 T CB 0.239 69.064 68.868 -0.072 0.000 0.990 104 T HN 0.952 nan 8.240 nan 0.000 0.464 105 G N 1.037 109.795 108.800 -0.070 0.000 2.785 105 G HA2 0.179 4.137 3.960 -0.004 0.000 0.686 105 G HA3 0.179 4.137 3.960 -0.004 0.000 0.686 105 G C -1.314 173.500 174.900 -0.143 0.000 1.155 105 G CA -0.308 44.743 45.100 -0.082 0.000 0.760 105 G HN 0.984 nan 8.290 nan 0.000 0.624 106 L N 1.904 123.022 121.223 -0.175 0.000 2.543 106 L HA 0.798 5.135 4.340 -0.004 0.000 0.265 106 L C -0.087 176.487 176.870 -0.494 0.000 0.945 106 L CA -0.610 54.036 54.840 -0.323 0.000 0.869 106 L CB 1.642 43.524 42.059 -0.295 0.000 1.294 106 L HN 1.051 nan 8.230 nan 0.000 0.405 107 c N 3.049 121.280 118.600 -0.616 0.000 2.630 107 c HA 0.795 5.363 4.570 -0.004 0.000 0.346 107 c C -0.894 172.653 174.090 -0.904 0.000 1.245 107 c CA -0.655 55.313 56.329 -0.602 0.000 1.804 107 c CB 1.660 43.991 42.510 -0.299 0.000 2.279 107 c HN 0.689 nan 8.230 nan 0.000 0.498 108 F N 0.893 120.788 119.950 -0.091 0.000 2.561 108 F HA 0.608 5.133 4.527 -0.004 0.000 0.313 108 F C -0.338 175.429 175.800 -0.056 0.000 1.126 108 F CA -0.630 57.322 58.000 -0.080 0.000 0.918 108 F CB 0.813 39.767 39.000 -0.076 0.000 1.199 108 F HN 0.120 nan 8.300 nan 0.000 0.444 109 L N 4.717 126.006 121.223 0.109 0.000 2.280 109 L HA 0.508 4.846 4.340 -0.004 0.000 0.287 109 L C -0.723 176.207 176.870 0.100 0.000 1.023 109 L CA -0.560 54.341 54.840 0.102 0.000 0.819 109 L CB 1.058 43.154 42.059 0.063 0.000 1.212 109 L HN 0.535 nan 8.230 nan 0.000 0.420 110 L N 2.540 123.825 121.223 0.102 0.000 2.693 110 L HA 0.950 5.288 4.340 -0.004 0.000 0.253 110 L C 0.673 177.614 176.870 0.118 0.000 1.155 110 L CA -0.318 54.559 54.840 0.063 0.000 1.026 110 L CB 1.048 43.093 42.059 -0.023 0.000 1.817 110 L HN 0.659 nan 8.230 nan 0.000 0.556 111 G N -1.550 107.325 108.800 0.124 0.000 2.343 111 G HA2 0.077 4.035 3.960 -0.004 0.000 0.465 111 G HA3 0.077 4.035 3.960 -0.004 0.000 0.465 111 G C -2.745 172.201 174.900 0.078 0.000 1.282 111 G CA -0.836 44.359 45.100 0.159 0.000 0.996 111 G HN 0.343 nan 8.290 nan 0.000 0.521 112 P HA 0.230 nan 4.420 nan 0.000 0.249 112 P C 0.553 177.865 177.300 0.020 0.000 1.686 112 P CA 1.306 64.420 63.100 0.024 0.000 0.873 112 P CB -0.298 31.408 31.700 0.009 0.000 1.828 113 T N -4.251 110.318 114.554 0.025 0.000 2.618 113 T HA 0.292 4.639 4.350 -0.004 0.000 0.255 113 T C -0.736 173.975 174.700 0.018 0.000 0.988 113 T CA -0.732 61.381 62.100 0.022 0.000 1.221 113 T CB 0.756 69.641 68.868 0.029 0.000 1.674 113 T HN -0.066 nan 8.240 nan 0.000 0.448 114 Q N 0.770 120.582 119.800 0.019 0.000 2.261 114 Q HA 0.537 4.874 4.340 -0.004 0.000 0.252 114 Q C -0.588 175.423 176.000 0.018 0.000 0.915 114 Q CA -0.491 55.320 55.803 0.014 0.000 0.915 114 Q CB 1.415 30.160 28.738 0.011 0.000 1.204 114 Q HN 0.415 nan 8.270 nan 0.000 0.421 115 L N 3.419 124.649 121.223 0.012 0.000 2.400 115 L HA 0.066 4.403 4.340 -0.004 0.000 0.262 115 L C -0.008 176.881 176.870 0.031 0.000 1.309 115 L CA -0.112 54.740 54.840 0.019 0.000 1.186 115 L CB -0.694 41.365 42.059 -0.000 0.000 1.375 115 L HN 0.654 nan 8.230 nan 0.000 0.433 116 T N 1.399 115.972 114.554 0.030 0.000 2.900 116 T HA 0.117 4.465 4.350 -0.004 0.000 0.307 116 T C 0.190 174.901 174.700 0.018 0.000 1.065 116 T CA -0.128 61.977 62.100 0.010 0.000 1.105 116 T CB 0.845 69.708 68.868 -0.009 0.000 0.979 116 T HN 0.447 nan 8.240 nan 0.000 0.544 117 Q N 1.431 121.213 119.800 -0.030 0.000 2.397 117 Q HA 0.313 4.650 4.340 -0.004 0.000 0.260 117 Q C -0.732 175.146 176.000 -0.204 0.000 1.002 117 Q CA -0.335 55.417 55.803 -0.085 0.000 0.716 117 Q CB 1.403 30.131 28.738 -0.016 0.000 1.258 117 Q HN 0.416 nan 8.270 nan 0.000 0.477 118 R N 2.467 122.789 120.500 -0.295 0.000 2.288 118 R HA 0.287 4.625 4.340 -0.004 0.000 0.326 118 R C 0.140 176.151 176.300 -0.481 0.000 0.959 118 R CA -0.292 55.568 56.100 -0.400 0.000 0.834 118 R CB 1.297 31.296 30.300 -0.502 0.000 1.157 118 R HN 0.459 nan 8.270 nan 0.000 0.470 119 L N 3.917 124.897 121.223 -0.405 0.000 2.262 119 L HA 0.215 4.552 4.340 -0.004 0.000 0.197 119 L C -1.689 174.955 176.870 -0.376 0.000 1.073 119 L CA 0.830 55.441 54.840 -0.382 0.000 0.800 119 L CB 0.425 42.323 42.059 -0.269 0.000 0.987 119 L HN 0.479 nan 8.230 nan 0.000 0.470 120 P HA 0.268 nan 4.420 nan 0.000 0.215 120 P C -0.480 176.718 177.300 -0.170 0.000 1.728 120 P CA -0.272 62.688 63.100 -0.233 0.000 1.337 120 P CB 1.794 33.389 31.700 -0.174 0.000 1.415 121 V N 1.236 121.035 119.914 -0.191 0.000 5.043 121 V HA -0.259 3.859 4.120 -0.004 0.000 0.267 121 V C 0.746 176.771 176.094 -0.115 0.000 0.597 121 V CA 1.970 64.180 62.300 -0.150 0.000 0.703 121 V CB -2.485 29.263 31.823 -0.125 0.000 0.558 121 V HN 0.762 nan 8.190 nan 0.000 1.038 122 S N 1.446 117.072 115.700 -0.123 0.000 3.363 122 S HA 0.439 4.907 4.470 -0.004 0.000 0.267 122 S C 0.601 175.122 174.600 -0.132 0.000 1.288 122 S CA -0.643 57.493 58.200 -0.108 0.000 0.948 122 S CB 0.435 63.575 63.200 -0.100 0.000 1.397 122 S HN 0.841 nan 8.310 nan 0.000 0.493 123 R N 2.328 122.757 120.500 -0.118 0.000 3.252 123 R HA -0.112 4.225 4.340 -0.004 0.000 0.333 123 R C -0.568 175.620 176.300 -0.186 0.000 0.722 123 R CA 0.285 56.304 56.100 -0.135 0.000 1.078 123 R CB -0.498 29.749 30.300 -0.088 0.000 0.898 123 R HN 0.608 nan 8.270 nan 0.000 0.379 124 Q N 3.178 122.817 119.800 -0.268 0.000 2.318 124 Q HA -0.056 4.281 4.340 -0.004 0.000 0.270 124 Q C -0.328 175.433 176.000 -0.397 0.000 1.237 124 Q CA 0.692 56.301 55.803 -0.324 0.000 0.937 124 Q CB 0.332 28.850 28.738 -0.367 0.000 1.375 124 Q HN 0.575 nan 8.270 nan 0.000 0.452 125 E N 0.991 121.067 120.200 -0.208 0.000 2.418 125 E HA -0.016 4.331 4.350 -0.004 0.000 0.261 125 E C 0.041 176.614 176.600 -0.045 0.000 1.070 125 E CA -0.494 55.841 56.400 -0.108 0.000 0.931 125 E CB 0.632 30.302 29.700 -0.050 0.000 0.954 125 E HN 0.572 nan 8.360 nan 0.000 0.439 126 c N 2.415 121.070 118.600 0.091 0.000 2.767 126 c HA 0.151 4.718 4.570 -0.004 0.000 0.353 126 c C -1.746 172.390 174.090 0.077 0.000 1.376 126 c CA -1.134 55.305 56.329 0.183 0.000 2.284 126 c CB -1.286 41.347 42.510 0.205 0.000 2.535 126 c HN 0.613 nan 8.230 nan 0.000 0.745 127 P HA 0.334 nan 4.420 nan 0.000 0.285 127 P C -0.864 176.456 177.300 0.033 0.000 1.259 127 P CA -0.307 62.800 63.100 0.012 0.000 0.794 127 P CB 0.380 32.062 31.700 -0.031 0.000 0.940 128 R N 1.733 122.245 120.500 0.020 0.000 2.221 128 R HA 0.448 4.785 4.340 -0.004 0.000 0.327 128 R C -0.375 175.942 176.300 0.028 0.000 1.033 128 R CA -0.755 55.365 56.100 0.033 0.000 0.887 128 R CB 0.646 30.962 30.300 0.027 0.000 1.057 128 R HN 0.285 nan 8.270 nan 0.000 0.455 129 Q N 2.515 122.345 119.800 0.050 0.000 2.243 129 Q HA 0.162 4.499 4.340 -0.004 0.000 0.252 129 Q C -1.113 174.910 176.000 0.039 0.000 0.909 129 Q CA -0.075 55.755 55.803 0.045 0.000 0.922 129 Q CB 1.537 30.322 28.738 0.079 0.000 1.215 129 Q HN 0.684 nan 8.270 nan 0.000 0.427 130 E N 3.367 123.571 120.200 0.007 0.000 2.129 130 E HA 0.276 4.623 4.350 -0.004 0.000 0.268 130 E C -0.999 175.575 176.600 -0.043 0.000 0.900 130 E CA -0.450 55.939 56.400 -0.017 0.000 0.755 130 E CB 1.476 31.155 29.700 -0.035 0.000 1.117 130 E HN 0.566 nan 8.360 nan 0.000 0.410 131 Q N 1.854 121.614 119.800 -0.066 0.000 2.365 131 Q HA 0.334 4.672 4.340 -0.004 0.000 0.269 131 Q C -1.165 174.716 176.000 -0.197 0.000 1.061 131 Q CA -0.806 54.927 55.803 -0.117 0.000 0.816 131 Q CB 1.942 30.608 28.738 -0.119 0.000 1.325 131 Q HN 0.312 nan 8.270 nan 0.000 0.446 132 D N 2.598 122.900 120.400 -0.163 0.000 2.502 132 D HA 0.306 4.944 4.640 -0.004 0.000 0.301 132 D C -0.476 175.851 176.300 0.046 0.000 1.202 132 D CA -0.128 53.777 54.000 -0.158 0.000 0.878 132 D CB 0.485 41.078 40.800 -0.344 0.000 1.062 132 D HN 0.398 nan 8.370 nan 0.000 0.499 133 I N 0.353 120.770 120.570 -0.254 0.000 2.634 133 I HA 0.119 4.286 4.170 -0.004 0.000 0.284 133 I C 0.233 176.235 176.117 -0.193 0.000 1.124 133 I CA -0.233 60.890 61.300 -0.294 0.000 1.417 133 I CB 1.031 38.635 38.000 -0.661 0.000 1.396 133 I HN -0.154 nan 8.210 nan 0.000 0.571 134 V N 6.928 126.744 119.914 -0.162 0.000 2.409 134 V HA 0.293 4.410 4.120 -0.004 0.000 0.290 134 V C -0.335 175.672 176.094 -0.146 0.000 1.017 134 V CA -0.549 61.624 62.300 -0.211 0.000 0.841 134 V CB 1.118 32.778 31.823 -0.272 0.000 1.003 134 V HN 0.381 nan 8.190 nan 0.000 0.426 135 F N 5.040 124.982 119.950 -0.013 0.000 2.467 135 F HA 0.455 4.980 4.527 -0.004 0.000 0.362 135 F C 0.044 175.868 175.800 0.040 0.000 1.090 135 F CA -0.037 57.986 58.000 0.040 0.000 1.202 135 F CB 1.125 40.149 39.000 0.040 0.000 1.113 135 F HN 0.335 nan 8.300 nan 0.000 0.541 136 L N 7.040 128.451 121.223 0.312 0.000 2.356 136 L HA 0.637 4.975 4.340 -0.004 0.000 0.277 136 L C -0.743 176.354 176.870 0.378 0.000 0.996 136 L CA -0.746 54.269 54.840 0.291 0.000 0.822 136 L CB 1.250 43.429 42.059 0.200 0.000 1.256 136 L HN 0.469 nan 8.230 nan 0.000 0.413 137 I N 0.579 121.391 120.570 0.403 0.000 2.545 137 I HA 0.542 4.710 4.170 -0.004 0.000 0.292 137 I C -0.987 175.234 176.117 0.174 0.000 1.040 137 I CA -0.865 60.600 61.300 0.274 0.000 1.068 137 I CB 1.960 40.011 38.000 0.085 0.000 1.251 137 I HN 0.532 nan 8.210 nan 0.000 0.424 138 D N 4.321 124.720 120.400 -0.002 0.000 2.343 138 D HA 0.402 5.039 4.640 -0.004 0.000 0.255 138 D C 0.790 176.971 176.300 -0.199 0.000 1.187 138 D CA 0.027 53.758 54.000 -0.449 0.000 0.875 138 D CB 1.585 42.271 40.800 -0.190 0.000 1.136 138 D HN 0.834 nan 8.370 nan 0.000 0.469 139 G N 2.408 111.083 108.800 -0.207 0.000 3.774 139 G HA2 0.148 4.105 3.960 -0.004 0.000 0.287 139 G HA3 0.148 4.105 3.960 -0.004 0.000 0.287 139 G C 0.381 175.286 174.900 0.009 0.000 1.030 139 G CA -0.037 45.105 45.100 0.069 0.000 0.824 139 G HN 0.564 nan 8.290 nan 0.000 0.518 140 S N -0.857 114.800 115.700 -0.070 0.000 2.572 140 S HA 0.318 4.786 4.470 -0.004 0.000 0.267 140 S C 1.739 176.326 174.600 -0.022 0.000 1.361 140 S CA 0.382 58.555 58.200 -0.046 0.000 1.009 140 S CB 1.373 64.553 63.200 -0.033 0.000 0.888 140 S HN 0.331 nan 8.310 nan 0.000 0.553 141 G N 0.351 109.117 108.800 -0.057 0.000 2.625 141 G HA2 -0.091 3.866 3.960 -0.004 0.000 0.214 141 G HA3 -0.091 3.866 3.960 -0.004 0.000 0.214 141 G C 1.486 176.366 174.900 -0.034 0.000 1.132 141 G CA 0.569 45.630 45.100 -0.064 0.000 0.782 141 G HN 1.007 nan 8.290 nan 0.000 0.538 142 S N -0.036 115.659 115.700 -0.008 0.000 2.402 142 S HA 0.127 4.595 4.470 -0.004 0.000 0.229 142 S C 1.092 175.715 174.600 0.037 0.000 1.021 142 S CA -0.086 58.127 58.200 0.021 0.000 0.974 142 S CB -0.141 63.089 63.200 0.049 0.000 0.800 142 S HN 0.243 nan 8.310 nan 0.000 0.484 143 I N 3.454 124.046 120.570 0.037 0.000 2.496 143 I HA 0.159 4.326 4.170 -0.004 0.000 0.285 143 I C 0.775 176.875 176.117 -0.029 0.000 1.080 143 I CA -0.465 60.836 61.300 0.000 0.000 1.404 143 I CB 1.087 39.102 38.000 0.025 0.000 1.403 143 I HN 0.319 nan 8.210 nan 0.000 0.539 144 S N 3.499 119.142 115.700 -0.095 0.000 2.614 144 S HA 0.163 4.630 4.470 -0.004 0.000 0.265 144 S C 0.995 175.561 174.600 -0.055 0.000 1.303 144 S CA -0.722 57.432 58.200 -0.076 0.000 1.000 144 S CB 1.501 64.650 63.200 -0.085 0.000 0.935 144 S HN 0.618 nan 8.310 nan 0.000 0.551 145 S N 0.522 116.190 115.700 -0.053 0.000 2.447 145 S HA -0.070 4.397 4.470 -0.004 0.000 0.233 145 S C 1.837 176.430 174.600 -0.012 0.000 1.006 145 S CA 0.975 59.146 58.200 -0.048 0.000 0.957 145 S CB -0.432 62.722 63.200 -0.077 0.000 0.773 145 S HN 0.780 nan 8.310 nan 0.000 0.507 146 R N 1.624 122.098 120.500 -0.044 0.000 2.093 146 R HA 0.083 4.420 4.340 -0.004 0.000 0.224 146 R C 0.952 177.199 176.300 -0.089 0.000 1.101 146 R CA 0.951 57.024 56.100 -0.046 0.000 0.979 146 R CB -0.117 30.156 30.300 -0.045 0.000 0.877 146 R HN 0.235 nan 8.270 nan 0.000 0.441 147 N N 0.023 118.594 118.700 -0.214 0.000 2.521 147 N HA -0.095 4.643 4.740 -0.004 0.000 0.188 147 N C 0.807 176.100 175.510 -0.361 0.000 1.146 147 N CA 0.529 53.282 53.050 -0.495 0.000 0.893 147 N CB 0.002 37.776 38.487 -1.189 0.000 0.975 147 N HN 0.202 nan 8.380 nan 0.000 0.451 148 F N 1.448 121.245 119.950 -0.255 0.000 2.222 148 F HA 0.210 4.735 4.527 -0.004 0.000 0.285 148 F C 2.200 177.937 175.800 -0.104 0.000 1.068 148 F CA 0.585 58.488 58.000 -0.162 0.000 1.265 148 F CB -0.405 38.521 39.000 -0.124 0.000 1.087 148 F HN -0.007 nan 8.300 nan 0.000 0.511 149 A N -0.693 122.254 122.820 0.212 0.000 2.024 149 A HA -0.164 4.153 4.320 -0.004 0.000 0.220 149 A C 2.055 179.650 177.584 0.019 0.000 1.164 149 A CA 2.251 54.353 52.037 0.109 0.000 0.643 149 A CB -1.363 17.678 19.000 0.069 0.000 0.806 149 A HN 0.459 nan 8.150 nan 0.000 0.451 150 T N -0.871 113.681 114.554 -0.004 0.000 2.857 150 T HA -0.038 4.309 4.350 -0.004 0.000 0.266 150 T C 1.908 176.621 174.700 0.020 0.000 1.048 150 T CA 1.417 63.522 62.100 0.008 0.000 1.139 150 T CB -0.162 68.713 68.868 0.012 0.000 0.874 150 T HN 0.510 nan 8.240 nan 0.000 0.455 151 M N 0.313 119.886 119.600 -0.045 0.000 2.160 151 M HA 0.039 4.517 4.480 -0.004 0.000 0.264 151 M C 1.783 178.048 176.300 -0.057 0.000 1.073 151 M CA 1.192 56.474 55.300 -0.031 0.000 1.142 151 M CB -0.050 32.475 32.600 -0.125 0.000 1.358 151 M HN 0.097 nan 8.290 nan 0.000 0.422 152 M N 0.297 119.789 119.600 -0.181 0.000 2.374 152 M HA -0.126 4.351 4.480 -0.004 0.000 0.264 152 M C 1.256 177.480 176.300 -0.126 0.000 1.067 152 M CA 1.220 56.412 55.300 -0.180 0.000 1.103 152 M CB -1.700 30.809 32.600 -0.151 0.000 1.402 152 M HN 0.273 nan 8.290 nan 0.000 0.444 153 N N -0.093 118.571 118.700 -0.059 0.000 2.354 153 N HA -0.062 4.676 4.740 -0.004 0.000 0.179 153 N C 1.389 176.880 175.510 -0.031 0.000 1.021 153 N CA 0.656 53.679 53.050 -0.044 0.000 0.887 153 N CB -0.360 38.123 38.487 -0.007 0.000 0.974 153 N HN 0.365 nan 8.380 nan 0.000 0.437 154 F N 0.586 120.458 119.950 -0.130 0.000 2.367 154 F HA 0.033 4.557 4.527 -0.005 0.000 0.298 154 F C 1.710 177.379 175.800 -0.218 0.000 1.094 154 F CA 0.498 58.424 58.000 -0.122 0.000 1.409 154 F CB 0.014 38.966 39.000 -0.080 0.000 1.064 154 F HN -0.228 nan 8.300 nan 0.000 0.528 155 V N 2.580 122.266 119.914 -0.380 0.000 2.239 155 V HA -0.294 3.824 4.120 -0.004 0.000 0.242 155 V C 2.639 178.311 176.094 -0.704 0.000 1.038 155 V CA 2.327 64.120 62.300 -0.844 0.000 1.002 155 V CB -0.880 30.472 31.823 -0.785 0.000 0.641 155 V HN 0.413 nan 8.190 nan 0.000 0.449 156 R N 1.619 121.865 120.500 -0.422 0.000 2.133 156 R HA -0.210 4.128 4.340 -0.004 0.000 0.247 156 R C 2.124 178.265 176.300 -0.266 0.000 1.151 156 R CA 1.955 57.879 56.100 -0.295 0.000 0.971 156 R CB -1.001 29.181 30.300 -0.196 0.000 0.866 156 R HN 0.420 nan 8.270 nan 0.000 0.447 157 A N 1.428 124.071 122.820 -0.295 0.000 1.858 157 A HA -0.053 4.264 4.320 -0.004 0.000 0.216 157 A C 2.363 179.815 177.584 -0.220 0.000 1.190 157 A CA 1.627 53.522 52.037 -0.237 0.000 0.617 157 A CB -0.502 18.346 19.000 -0.253 0.000 0.827 157 A HN 0.187 nan 8.150 nan 0.000 0.443 158 V N 0.126 119.822 119.914 -0.363 0.000 3.305 158 V HA -0.109 4.008 4.120 -0.004 0.000 0.269 158 V C 1.983 178.120 176.094 0.071 0.000 1.157 158 V CA 1.237 63.473 62.300 -0.107 0.000 1.157 158 V CB -0.651 31.109 31.823 -0.105 0.000 0.772 158 V HN 0.530 nan 8.190 nan 0.000 0.498 159 I N 0.324 120.787 120.570 -0.179 0.000 3.035 159 I HA -0.083 4.084 4.170 -0.004 0.000 0.271 159 I C 2.533 178.662 176.117 0.020 0.000 1.190 159 I CA 1.177 62.197 61.300 -0.468 0.000 1.472 159 I CB -0.027 37.562 38.000 -0.685 0.000 1.116 159 I HN 0.469 nan 8.210 nan 0.000 0.443 160 S N 0.310 116.040 115.700 0.050 0.000 2.395 160 S HA -0.138 4.329 4.470 -0.004 0.000 0.225 160 S C 1.839 176.551 174.600 0.188 0.000 1.027 160 S CA 0.452 58.716 58.200 0.106 0.000 0.965 160 S CB -0.313 62.903 63.200 0.026 0.000 0.812 160 S HN 0.342 nan 8.310 nan 0.000 0.482 161 Q N 0.417 120.339 119.800 0.203 0.000 2.368 161 Q HA 0.111 4.448 4.340 -0.004 0.000 0.210 161 Q C -0.369 175.700 176.000 0.116 0.000 0.982 161 Q CA 0.735 56.621 55.803 0.138 0.000 0.884 161 Q CB -0.402 28.397 28.738 0.101 0.000 0.933 161 Q HN 0.608 nan 8.270 nan 0.000 0.460 162 F N 0.328 120.426 119.950 0.247 0.000 2.432 162 F HA 0.333 4.857 4.527 -0.005 0.000 0.329 162 F C 0.383 176.358 175.800 0.293 0.000 1.076 162 F CA -0.811 57.378 58.000 0.314 0.000 1.018 162 F CB 1.182 40.407 39.000 0.376 0.000 1.201 162 F HN -0.232 nan 8.300 nan 0.000 0.489 163 Q N 1.717 121.772 119.800 0.425 0.000 2.356 163 Q HA 0.534 4.871 4.340 -0.004 0.000 0.270 163 Q C -0.746 175.431 176.000 0.296 0.000 1.058 163 Q CA -1.186 54.798 55.803 0.303 0.000 0.802 163 Q CB 3.186 32.043 28.738 0.198 0.000 1.303 163 Q HN 0.650 nan 8.270 nan 0.000 0.444 164 R N 1.118 121.784 120.500 0.278 0.000 2.797 164 R HA 0.568 4.906 4.340 -0.004 0.000 0.251 164 R C -1.780 174.622 176.300 0.170 0.000 1.107 164 R CA -1.504 54.746 56.100 0.249 0.000 1.084 164 R CB 0.219 30.730 30.300 0.351 0.000 1.205 164 R HN 0.347 nan 8.270 nan 0.000 0.515 165 P HA -0.008 nan 4.420 nan 0.000 0.245 165 P C 0.552 177.921 177.300 0.114 0.000 1.212 165 P CA 0.384 63.570 63.100 0.144 0.000 0.774 165 P CB 0.252 32.017 31.700 0.108 0.000 0.999 166 S N -1.660 114.109 115.700 0.116 0.000 2.547 166 S HA 0.012 4.479 4.470 -0.004 0.000 0.235 166 S C 0.747 175.401 174.600 0.090 0.000 0.980 166 S CA 0.337 58.595 58.200 0.097 0.000 0.941 166 S CB -0.863 62.405 63.200 0.113 0.000 0.763 166 S HN 0.143 nan 8.310 nan 0.000 0.532 167 T N 1.631 116.247 114.554 0.103 0.000 2.903 167 T HA 0.635 4.982 4.350 -0.004 0.000 0.299 167 T C -1.222 173.413 174.700 -0.108 0.000 1.093 167 T CA -0.797 61.296 62.100 -0.011 0.000 1.002 167 T CB 1.995 70.936 68.868 0.122 0.000 1.127 167 T HN 0.027 nan 8.240 nan 0.000 0.488 168 Q N 0.700 120.245 119.800 -0.425 0.000 2.456 168 Q HA 0.692 5.030 4.340 -0.004 0.000 0.284 168 Q C -1.663 173.777 176.000 -0.933 0.000 1.061 168 Q CA -0.643 54.895 55.803 -0.441 0.000 0.799 168 Q CB 2.611 31.334 28.738 -0.025 0.000 1.445 168 Q HN 0.640 nan 8.270 nan 0.000 0.411 169 F N -0.297 119.143 119.950 -0.850 0.000 2.601 169 F HA 0.625 5.150 4.527 -0.004 0.000 0.309 169 F C -0.079 175.237 175.800 -0.807 0.000 1.089 169 F CA -0.609 56.939 58.000 -0.752 0.000 0.940 169 F CB 2.515 41.090 39.000 -0.708 0.000 1.273 169 F HN 0.312 nan 8.300 nan 0.000 0.450 170 S N 2.371 117.662 115.700 -0.681 0.000 2.566 170 S HA 0.723 5.191 4.470 -0.004 0.000 0.273 170 S C -2.069 172.113 174.600 -0.695 0.000 1.157 170 S CA -0.421 57.206 58.200 -0.956 0.000 0.938 170 S CB 1.210 63.388 63.200 -1.703 0.000 1.087 170 S HN 0.598 nan 8.310 nan 0.000 0.474 171 L N 5.298 125.892 121.223 -1.047 0.000 2.346 171 L HA 0.855 5.192 4.340 -0.004 0.000 0.274 171 L C -0.742 175.931 176.870 -0.328 0.000 1.007 171 L CA -0.288 54.226 54.840 -0.543 0.000 0.818 171 L CB 1.662 43.425 42.059 -0.495 0.000 1.284 171 L HN 0.870 nan 8.230 nan 0.000 0.424 172 M N 4.099 123.673 119.600 -0.043 0.000 2.433 172 M HA 0.442 4.920 4.480 -0.004 0.000 0.290 172 M C -1.919 174.520 176.300 0.232 0.000 1.173 172 M CA -0.434 54.886 55.300 0.034 0.000 0.905 172 M CB 2.024 34.628 32.600 0.006 0.000 1.692 172 M HN 0.770 nan 8.290 nan 0.000 0.462 173 Q N 3.949 123.906 119.800 0.261 0.000 2.365 173 Q HA 0.670 5.008 4.340 -0.004 0.000 0.269 173 Q C -2.133 174.063 176.000 0.327 0.000 1.061 173 Q CA -0.722 55.293 55.803 0.353 0.000 0.816 173 Q CB 2.153 31.177 28.738 0.476 0.000 1.325 173 Q HN 0.662 nan 8.270 nan 0.000 0.446 174 F N 1.893 121.936 119.950 0.154 0.000 2.617 174 F HA 0.582 5.107 4.527 -0.004 0.000 0.325 174 F C -0.593 175.243 175.800 0.059 0.000 1.179 174 F CA -0.387 57.668 58.000 0.092 0.000 0.965 174 F CB 1.275 40.444 39.000 0.282 0.000 1.232 174 F HN 0.537 nan 8.300 nan 0.000 0.461 175 S N 2.096 117.704 115.700 -0.153 0.000 3.517 175 S HA 0.201 4.669 4.470 -0.004 0.000 0.173 175 S C 0.736 175.392 174.600 0.093 0.000 0.785 175 S CA 0.465 58.610 58.200 -0.091 0.000 0.932 175 S CB -0.292 62.870 63.200 -0.063 0.000 1.213 175 S HN 0.650 nan 8.310 nan 0.000 0.772 176 N N 1.307 120.015 118.700 0.013 0.000 2.294 176 N HA 0.292 5.029 4.740 -0.004 0.000 0.186 176 N C 0.196 175.406 175.510 -0.500 0.000 1.107 176 N CA 0.133 53.162 53.050 -0.035 0.000 0.884 176 N CB 0.096 38.789 38.487 0.344 0.000 1.030 176 N HN 0.200 nan 8.380 nan 0.000 0.482 177 K N -0.190 119.892 120.400 -0.531 0.000 2.208 177 K HA 0.472 4.790 4.320 -0.004 0.000 0.240 177 K C -1.139 174.870 176.600 -0.985 0.000 1.088 177 K CA -0.562 55.327 56.287 -0.663 0.000 0.902 177 K CB 0.583 32.958 32.500 -0.209 0.000 1.355 177 K HN 0.011 nan 8.250 nan 0.000 0.526 178 F N 0.830 120.797 119.950 0.028 0.000 2.745 178 F HA 0.301 4.826 4.527 -0.004 0.000 0.343 178 F C -0.078 175.706 175.800 -0.026 0.000 1.196 178 F CA -0.636 57.386 58.000 0.038 0.000 1.021 178 F CB 1.909 40.927 39.000 0.030 0.000 1.297 178 F HN 0.208 nan 8.300 nan 0.000 0.486 179 Q N 1.878 121.696 119.800 0.031 0.000 2.322 179 Q HA 0.467 4.805 4.340 -0.004 0.000 0.265 179 Q C -0.900 174.882 176.000 -0.362 0.000 0.985 179 Q CA -0.493 55.212 55.803 -0.163 0.000 0.849 179 Q CB 1.747 30.343 28.738 -0.236 0.000 1.274 179 Q HN 0.620 nan 8.270 nan 0.000 0.449 180 T N 4.976 119.377 114.554 -0.256 0.000 2.875 180 T HA 0.160 4.507 4.350 -0.004 0.000 0.307 180 T C 0.629 175.163 174.700 -0.277 0.000 1.013 180 T CA -0.409 61.520 62.100 -0.284 0.000 0.970 180 T CB 0.110 68.851 68.868 -0.212 0.000 0.986 180 T HN 0.549 nan 8.240 nan 0.000 0.536 181 H N 2.607 121.624 119.070 -0.090 0.000 2.357 181 H HA 0.063 4.617 4.556 -0.004 0.000 0.301 181 H C 0.451 175.865 175.328 0.143 0.000 1.082 181 H CA 1.014 57.086 56.048 0.041 0.000 1.342 181 H CB 0.121 29.958 29.762 0.125 0.000 1.389 181 H HN 0.670 nan 8.280 nan 0.000 0.511 182 F N -0.927 119.050 119.950 0.045 0.000 2.650 182 F HA 0.441 4.966 4.527 -0.004 0.000 0.310 182 F C -0.116 175.611 175.800 -0.120 0.000 1.112 182 F CA -1.295 56.694 58.000 -0.019 0.000 0.986 182 F CB 0.854 39.880 39.000 0.043 0.000 1.285 182 F HN -0.128 nan 8.300 nan 0.000 0.440 183 T N -1.402 113.122 114.554 -0.049 0.000 2.852 183 T HA 0.424 4.771 4.350 -0.004 0.000 0.281 183 T C 0.452 175.135 174.700 -0.029 0.000 0.993 183 T CA -0.258 61.711 62.100 -0.218 0.000 0.933 183 T CB 0.671 69.358 68.868 -0.302 0.000 1.187 183 T HN 0.511 nan 8.240 nan 0.000 0.559 184 F N 0.240 120.209 119.950 0.031 0.000 2.293 184 F HA 0.135 4.660 4.527 -0.004 0.000 0.300 184 F C 2.611 178.509 175.800 0.162 0.000 1.086 184 F CA 1.090 59.139 58.000 0.082 0.000 1.375 184 F CB -0.513 38.490 39.000 0.006 0.000 1.045 184 F HN 0.643 nan 8.300 nan 0.000 0.516 185 E N 0.811 121.192 120.200 0.302 0.000 2.152 185 E HA -0.138 4.209 4.350 -0.004 0.000 0.192 185 E C 1.236 177.961 176.600 0.208 0.000 0.983 185 E CA 1.101 57.639 56.400 0.231 0.000 0.818 185 E CB -0.241 29.571 29.700 0.186 0.000 0.758 185 E HN 0.398 nan 8.360 nan 0.000 0.467 186 E N -1.184 119.142 120.200 0.210 0.000 2.403 186 E HA 0.031 4.378 4.350 -0.004 0.000 0.187 186 E C 0.401 177.127 176.600 0.211 0.000 1.073 186 E CA -0.208 56.297 56.400 0.176 0.000 0.888 186 E CB 0.052 29.849 29.700 0.161 0.000 1.035 186 E HN 0.292 nan 8.360 nan 0.000 0.471 187 F N -0.049 119.979 119.950 0.131 0.000 2.549 187 F HA 0.203 4.728 4.527 -0.004 0.000 0.275 187 F C 2.075 177.938 175.800 0.105 0.000 0.990 187 F CA 0.009 58.081 58.000 0.120 0.000 1.274 187 F CB 0.522 39.655 39.000 0.223 0.000 1.064 187 F HN -0.220 nan 8.300 nan 0.000 0.715 188 R N 1.016 121.740 120.500 0.374 0.000 2.276 188 R HA -0.024 4.313 4.340 -0.004 0.000 0.203 188 R C 2.102 178.469 176.300 0.112 0.000 1.017 188 R CA 1.095 57.343 56.100 0.245 0.000 1.010 188 R CB -0.026 30.419 30.300 0.242 0.000 0.900 188 R HN 0.408 nan 8.270 nan 0.000 0.469 189 R N -1.372 119.180 120.500 0.088 0.000 2.146 189 R HA 0.140 4.477 4.340 -0.004 0.000 0.206 189 R C 0.644 176.940 176.300 -0.007 0.000 1.049 189 R CA 0.345 56.472 56.100 0.045 0.000 1.029 189 R CB -0.187 30.149 30.300 0.060 0.000 0.949 189 R HN -0.097 nan 8.270 nan 0.000 0.471 190 S N 1.761 117.434 115.700 -0.046 0.000 2.443 190 S HA 0.050 4.517 4.470 -0.004 0.000 0.284 190 S C 0.948 175.460 174.600 -0.146 0.000 1.206 190 S CA -0.191 57.947 58.200 -0.103 0.000 1.074 190 S CB 0.932 64.040 63.200 -0.153 0.000 0.963 190 S HN 0.493 nan 8.310 nan 0.000 0.501 191 S N 4.332 119.972 115.700 -0.099 0.000 2.420 191 S HA -0.087 4.380 4.470 -0.004 0.000 0.237 191 S C 0.389 174.909 174.600 -0.133 0.000 1.023 191 S CA 0.818 58.961 58.200 -0.094 0.000 0.991 191 S CB -0.360 62.804 63.200 -0.060 0.000 0.792 191 S HN 0.745 nan 8.310 nan 0.000 0.488 192 N N 1.815 120.418 118.700 -0.162 0.000 2.746 192 N HA 0.325 5.062 4.740 -0.004 0.000 0.250 192 N C -2.290 173.052 175.510 -0.280 0.000 1.146 192 N CA -1.956 50.979 53.050 -0.191 0.000 0.828 192 N CB 1.611 40.016 38.487 -0.137 0.000 1.158 192 N HN 0.180 nan 8.380 nan 0.000 0.519 193 P HA -0.090 nan 4.420 nan 0.000 0.215 193 P C 1.344 178.351 177.300 -0.489 0.000 1.157 193 P CA 0.757 63.485 63.100 -0.619 0.000 0.863 193 P CB 0.657 31.639 31.700 -1.196 0.000 0.787 194 L N 0.544 121.558 121.223 -0.349 0.000 2.447 194 L HA -0.113 4.224 4.340 -0.004 0.000 0.225 194 L C 2.644 179.375 176.870 -0.233 0.000 1.148 194 L CA 1.551 56.234 54.840 -0.262 0.000 0.808 194 L CB -1.112 40.838 42.059 -0.182 0.000 0.928 194 L HN 0.143 nan 8.230 nan 0.000 0.448 195 S N -0.070 115.491 115.700 -0.232 0.000 2.474 195 S HA -0.078 4.390 4.470 -0.004 0.000 0.235 195 S C 1.648 176.139 174.600 -0.182 0.000 0.997 195 S CA 0.664 58.759 58.200 -0.176 0.000 0.949 195 S CB -0.233 62.877 63.200 -0.150 0.000 0.766 195 S HN 0.516 nan 8.310 nan 0.000 0.517 196 L N -0.038 121.025 121.223 -0.267 0.000 2.554 196 L HA 0.355 4.692 4.340 -0.004 0.000 0.225 196 L C 2.166 178.911 176.870 -0.208 0.000 1.104 196 L CA 0.025 54.720 54.840 -0.242 0.000 0.866 196 L CB -0.268 41.580 42.059 -0.352 0.000 1.047 196 L HN 0.250 nan 8.230 nan 0.000 0.468 197 L N 0.422 121.502 121.223 -0.239 0.000 2.044 197 L HA -0.041 4.296 4.340 -0.004 0.000 0.205 197 L C 2.467 179.265 176.870 -0.121 0.000 1.075 197 L CA 1.173 55.933 54.840 -0.134 0.000 0.747 197 L CB -0.336 41.632 42.059 -0.152 0.000 0.903 197 L HN 0.260 nan 8.230 nan 0.000 0.435 198 A N -1.560 121.180 122.820 -0.133 0.000 2.259 198 A HA -0.048 4.269 4.320 -0.004 0.000 0.208 198 A C 2.211 179.689 177.584 -0.175 0.000 1.201 198 A CA 1.004 52.963 52.037 -0.129 0.000 0.824 198 A CB -0.265 18.674 19.000 -0.101 0.000 0.838 198 A HN 0.362 nan 8.150 nan 0.000 0.485 199 S N -0.975 114.618 115.700 -0.179 0.000 2.486 199 S HA 0.124 4.592 4.470 -0.004 0.000 0.220 199 S C 0.690 175.087 174.600 -0.337 0.000 1.011 199 S CA 0.201 58.285 58.200 -0.193 0.000 0.921 199 S CB -0.225 62.922 63.200 -0.089 0.000 0.785 199 S HN 0.167 nan 8.310 nan 0.000 0.517 200 V N 3.573 123.296 119.914 -0.318 0.000 2.881 200 V HA 0.339 4.457 4.120 -0.004 0.000 0.303 200 V C -0.030 175.765 176.094 -0.499 0.000 1.070 200 V CA -0.290 61.788 62.300 -0.369 0.000 1.074 200 V CB 0.870 32.355 31.823 -0.564 0.000 1.012 200 V HN 0.516 nan 8.190 nan 0.000 0.482 201 H N 1.922 120.935 119.070 -0.095 0.000 2.731 201 H HA 0.368 4.922 4.556 -0.004 0.000 0.368 201 H C -0.291 174.863 175.328 -0.289 0.000 1.168 201 H CA -0.676 55.257 56.048 -0.192 0.000 1.181 201 H CB 1.830 31.503 29.762 -0.148 0.000 1.743 201 H HN 0.686 nan 8.280 nan 0.000 0.547 202 Q N 0.796 120.229 119.800 -0.612 0.000 2.474 202 Q HA 0.055 4.392 4.340 -0.004 0.000 0.256 202 Q C 0.274 176.158 176.000 -0.192 0.000 1.048 202 Q CA 0.024 55.377 55.803 -0.751 0.000 0.922 202 Q CB 0.610 28.677 28.738 -1.119 0.000 1.288 202 Q HN 0.607 nan 8.270 nan 0.000 0.484 203 L N 0.665 121.858 121.223 -0.051 0.000 2.537 203 L HA 0.085 4.422 4.340 -0.004 0.000 0.224 203 L C 0.701 177.542 176.870 -0.048 0.000 1.065 203 L CA -0.279 54.552 54.840 -0.014 0.000 0.860 203 L CB 0.033 42.111 42.059 0.033 0.000 1.086 203 L HN 0.757 nan 8.230 nan 0.000 0.482 204 Q N -0.301 119.470 119.800 -0.049 0.000 1.113 204 Q HA -0.248 4.090 4.340 -0.004 0.000 0.352 204 Q C 0.805 176.760 176.000 -0.076 0.000 1.021 204 Q CA 1.561 57.324 55.803 -0.067 0.000 0.584 204 Q CB -1.681 27.001 28.738 -0.094 0.000 4.825 204 Q HN 0.488 nan 8.270 nan 0.000 0.491 205 G N -0.479 108.239 108.800 -0.138 0.000 2.632 205 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.224 205 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.224 205 G C -0.167 174.607 174.900 -0.210 0.000 1.341 205 G CA 0.190 45.171 45.100 -0.199 0.000 0.880 205 G HN 0.401 nan 8.290 nan 0.000 0.566 206 F N 0.287 120.276 119.950 0.065 0.000 2.075 206 F HA 0.629 5.153 4.527 -0.004 0.000 0.252 206 F C 1.498 177.353 175.800 0.091 0.000 1.007 206 F CA 0.738 58.795 58.000 0.096 0.000 1.170 206 F CB 0.412 39.550 39.000 0.230 0.000 1.844 206 F HN 0.481 nan 8.300 nan 0.000 0.548 207 T N -0.563 114.171 114.554 0.300 0.000 3.143 207 T HA 0.331 4.679 4.350 -0.004 0.000 0.312 207 T C -1.558 173.215 174.700 0.121 0.000 0.986 207 T CA -0.485 61.740 62.100 0.209 0.000 1.024 207 T CB 0.338 69.271 68.868 0.108 0.000 1.030 207 T HN 0.320 nan 8.240 nan 0.000 0.448 208 Y N 1.806 122.318 120.300 0.353 0.000 2.511 208 Y HA 0.224 4.771 4.550 -0.004 0.000 0.356 208 Y C 1.865 177.996 175.900 0.386 0.000 1.002 208 Y CA -0.888 57.408 58.100 0.327 0.000 1.127 208 Y CB 0.342 38.991 38.460 0.315 0.000 1.137 208 Y HN 0.629 nan 8.280 nan 0.000 0.652 209 T N 0.673 115.518 114.554 0.485 0.000 2.450 209 T HA -0.410 3.937 4.350 -0.004 0.000 0.250 209 T C 2.268 176.897 174.700 -0.119 0.000 1.264 209 T CA 2.473 64.719 62.100 0.244 0.000 1.191 209 T CB -0.341 68.704 68.868 0.296 0.000 0.862 209 T HN 0.679 nan 8.240 nan 0.000 0.411 210 A N 1.003 123.703 122.820 -0.199 0.000 1.948 210 A HA -0.191 4.127 4.320 -0.004 0.000 0.220 210 A C 2.570 180.036 177.584 -0.196 0.000 1.177 210 A CA 2.528 54.359 52.037 -0.343 0.000 0.636 210 A CB -1.449 17.127 19.000 -0.707 0.000 0.815 210 A HN 0.593 nan 8.150 nan 0.000 0.449 211 T N 0.350 114.866 114.554 -0.064 0.000 2.684 211 T HA -0.094 4.253 4.350 -0.004 0.000 0.267 211 T C 2.229 176.772 174.700 -0.261 0.000 1.036 211 T CA 1.835 63.892 62.100 -0.072 0.000 1.148 211 T CB -0.544 68.448 68.868 0.206 0.000 0.863 211 T HN 0.655 nan 8.240 nan 0.000 0.436 212 A N 1.227 123.986 122.820 -0.102 0.000 1.908 212 A HA -0.056 4.261 4.320 -0.004 0.000 0.218 212 A C 2.305 179.747 177.584 -0.238 0.000 1.181 212 A CA 1.342 53.270 52.037 -0.181 0.000 0.627 212 A CB -0.892 17.974 19.000 -0.224 0.000 0.818 212 A HN 0.540 nan 8.150 nan 0.000 0.445 213 I N -0.533 119.896 120.570 -0.235 0.000 2.194 213 I HA -0.379 3.788 4.170 -0.004 0.000 0.246 213 I C 2.832 178.916 176.117 -0.055 0.000 1.093 213 I CA 1.879 63.109 61.300 -0.117 0.000 1.355 213 I CB -0.481 37.475 38.000 -0.073 0.000 1.046 213 I HN 0.480 nan 8.210 nan 0.000 0.413 214 Q N 0.261 119.988 119.800 -0.123 0.000 2.083 214 Q HA -0.142 4.196 4.340 -0.004 0.000 0.198 214 Q C 1.764 177.686 176.000 -0.130 0.000 0.969 214 Q CA 1.091 56.812 55.803 -0.137 0.000 0.838 214 Q CB -0.141 28.400 28.738 -0.329 0.000 0.900 214 Q HN 0.506 nan 8.270 nan 0.000 0.436 215 N N -0.053 118.497 118.700 -0.250 0.000 2.573 215 N HA -0.080 4.657 4.740 -0.004 0.000 0.187 215 N C 1.392 176.856 175.510 -0.076 0.000 1.107 215 N CA 0.535 53.439 53.050 -0.243 0.000 0.918 215 N CB 0.202 38.362 38.487 -0.544 0.000 0.966 215 N HN 0.051 nan 8.380 nan 0.000 0.448 216 V N -0.595 119.306 119.914 -0.023 0.000 2.581 216 V HA 0.010 4.128 4.120 -0.004 0.000 0.240 216 V C 1.998 178.148 176.094 0.095 0.000 1.054 216 V CA 0.679 62.992 62.300 0.022 0.000 1.076 216 V CB 0.131 31.965 31.823 0.018 0.000 0.748 216 V HN -0.015 nan 8.190 nan 0.000 0.474 217 V N -0.394 119.631 119.914 0.184 0.000 2.951 217 V HA -0.063 4.054 4.120 -0.004 0.000 0.255 217 V C 1.659 177.720 176.094 -0.055 0.000 1.088 217 V CA 1.244 63.680 62.300 0.226 0.000 1.109 217 V CB -0.798 31.110 31.823 0.142 0.000 0.724 217 V HN 0.641 nan 8.190 nan 0.000 0.471 218 H N -0.734 118.260 119.070 -0.126 0.000 2.519 218 H HA 0.351 4.904 4.556 -0.004 0.000 0.289 218 H C 1.807 176.976 175.328 -0.266 0.000 1.040 218 H CA 0.190 56.093 56.048 -0.241 0.000 1.165 218 H CB 0.199 29.910 29.762 -0.085 0.000 1.462 218 H HN 0.268 nan 8.280 nan 0.000 0.555 219 R N -1.206 119.241 120.500 -0.089 0.000 4.528 219 R HA 0.210 4.547 4.340 -0.004 0.000 0.121 219 R C 1.380 177.823 176.300 0.237 0.000 0.727 219 R CA -0.014 56.139 56.100 0.088 0.000 0.977 219 R CB 0.123 30.566 30.300 0.238 0.000 1.506 219 R HN 0.101 nan 8.270 nan 0.000 0.428 220 L N 0.672 122.050 121.223 0.258 0.000 2.191 220 L HA -0.036 4.302 4.340 -0.004 0.000 0.212 220 L C 1.061 178.050 176.870 0.198 0.000 1.103 220 L CA 1.260 56.256 54.840 0.259 0.000 0.769 220 L CB -0.120 41.893 42.059 -0.077 0.000 0.908 220 L HN 0.105 nan 8.230 nan 0.000 0.438 221 F N -1.256 118.747 119.950 0.089 0.000 2.701 221 F HA 0.162 4.688 4.527 -0.003 0.000 0.295 221 F C 0.898 176.613 175.800 -0.141 0.000 1.165 221 F CA -0.445 57.522 58.000 -0.054 0.000 1.399 221 F CB -0.554 38.368 39.000 -0.130 0.000 0.996 221 F HN 0.006 nan 8.300 nan 0.000 0.513 222 H N -0.687 118.466 119.070 0.140 0.000 2.481 222 H HA 0.410 4.964 4.556 -0.004 0.000 0.339 222 H C 1.174 176.519 175.328 0.028 0.000 1.131 222 H CA -0.108 55.955 56.048 0.026 0.000 1.301 222 H CB 1.622 31.337 29.762 -0.079 0.000 1.476 222 H HN 0.118 nan 8.280 nan 0.000 0.529 223 A N 2.373 125.278 122.820 0.141 0.000 2.172 223 A HA -0.152 4.165 4.320 -0.004 0.000 0.216 223 A C 2.202 179.827 177.584 0.069 0.000 1.154 223 A CA 1.432 53.508 52.037 0.065 0.000 0.701 223 A CB -0.484 18.530 19.000 0.023 0.000 0.789 223 A HN 0.717 nan 8.150 nan 0.000 0.465 224 S N -1.294 114.439 115.700 0.054 0.000 2.355 224 S HA -0.156 4.311 4.470 -0.004 0.000 0.222 224 S C 1.809 176.493 174.600 0.141 0.000 1.031 224 S CA 1.214 59.422 58.200 0.013 0.000 0.993 224 S CB -0.739 62.377 63.200 -0.140 0.000 0.859 224 S HN 0.472 nan 8.310 nan 0.000 0.453 225 Y N 2.458 122.839 120.300 0.135 0.000 2.509 225 Y HA 0.297 4.845 4.550 -0.004 0.000 0.293 225 Y C 2.261 178.264 175.900 0.171 0.000 1.133 225 Y CA -0.059 58.130 58.100 0.148 0.000 1.283 225 Y CB -0.551 38.013 38.460 0.172 0.000 1.001 225 Y HN 0.583 nan 8.280 nan 0.000 0.555 226 G N -1.616 107.360 108.800 0.293 0.000 2.367 226 G HA2 -0.100 3.857 3.960 -0.004 0.000 0.181 226 G HA3 -0.100 3.857 3.960 -0.004 0.000 0.181 226 G C 0.375 175.319 174.900 0.073 0.000 1.000 226 G CA -0.351 44.872 45.100 0.205 0.000 0.693 226 G HN 0.492 nan 8.290 nan 0.000 0.480 227 A N 1.725 124.526 122.820 -0.031 0.000 2.526 227 A HA 0.511 4.828 4.320 -0.004 0.000 0.267 227 A C 1.006 178.447 177.584 -0.238 0.000 1.095 227 A CA 0.395 52.125 52.037 -0.511 0.000 0.775 227 A CB -0.227 18.489 19.000 -0.472 0.000 1.036 227 A HN 0.542 nan 8.150 nan 0.000 0.510 228 R N 2.030 122.381 120.500 -0.248 0.000 2.583 228 R HA -0.018 4.320 4.340 -0.004 0.000 0.274 228 R C 1.107 177.345 176.300 -0.103 0.000 0.998 228 R CA 0.298 56.322 56.100 -0.126 0.000 1.081 228 R CB 0.494 30.727 30.300 -0.112 0.000 0.940 228 R HN 0.819 nan 8.270 nan 0.000 0.413 229 R N 1.354 121.816 120.500 -0.064 0.000 2.064 229 R HA -0.087 4.250 4.340 -0.004 0.000 0.228 229 R C 0.039 176.297 176.300 -0.069 0.000 1.144 229 R CA 1.139 57.206 56.100 -0.056 0.000 0.932 229 R CB -0.042 30.235 30.300 -0.039 0.000 0.833 229 R HN 0.553 nan 8.270 nan 0.000 0.429 230 D N 0.880 121.243 120.400 -0.062 0.000 2.508 230 D HA 0.319 4.956 4.640 -0.004 0.000 0.224 230 D C -0.817 175.440 176.300 -0.072 0.000 1.171 230 D CA 0.325 54.286 54.000 -0.065 0.000 1.006 230 D CB 0.770 41.538 40.800 -0.053 0.000 1.073 230 D HN 0.284 nan 8.370 nan 0.000 0.513 231 A N 0.557 123.323 122.820 -0.090 0.000 2.569 231 A HA 0.841 5.158 4.320 -0.004 0.000 0.290 231 A C -1.081 176.438 177.584 -0.107 0.000 1.136 231 A CA -0.844 51.135 52.037 -0.097 0.000 0.710 231 A CB 1.431 20.359 19.000 -0.120 0.000 1.303 231 A HN 0.310 nan 8.150 nan 0.000 0.413 232 A N 1.366 124.128 122.820 -0.095 0.000 2.260 232 A HA 0.623 4.940 4.320 -0.004 0.000 0.308 232 A C -0.491 177.025 177.584 -0.112 0.000 1.254 232 A CA -0.577 51.401 52.037 -0.097 0.000 0.874 232 A CB 0.162 19.129 19.000 -0.055 0.000 1.153 232 A HN 0.482 nan 8.150 nan 0.000 0.527 233 K N 3.317 123.601 120.400 -0.194 0.000 2.262 233 K HA 0.493 4.811 4.320 -0.004 0.000 0.282 233 K C -0.805 175.710 176.600 -0.142 0.000 1.066 233 K CA 0.224 56.332 56.287 -0.299 0.000 0.901 233 K CB 0.855 32.866 32.500 -0.815 0.000 1.089 233 K HN 0.634 nan 8.250 nan 0.000 0.476 234 I N 3.397 124.011 120.570 0.073 0.000 2.474 234 I HA 0.348 4.515 4.170 -0.004 0.000 0.294 234 I C -0.810 175.422 176.117 0.192 0.000 1.005 234 I CA -1.341 60.011 61.300 0.088 0.000 1.113 234 I CB 1.719 39.738 38.000 0.033 0.000 1.289 234 I HN 0.224 nan 8.210 nan 0.000 0.436 235 L N 7.798 129.111 121.223 0.150 0.000 2.409 235 L HA 0.658 4.995 4.340 -0.004 0.000 0.272 235 L C -1.173 175.778 176.870 0.136 0.000 0.980 235 L CA -0.220 54.709 54.840 0.149 0.000 0.826 235 L CB 1.618 43.789 42.059 0.188 0.000 1.268 235 L HN 0.409 nan 8.230 nan 0.000 0.407 236 I N 4.960 125.577 120.570 0.077 0.000 2.646 236 I HA 0.695 4.863 4.170 -0.004 0.000 0.299 236 I C -0.859 175.382 176.117 0.208 0.000 1.036 236 I CA -1.052 60.337 61.300 0.147 0.000 1.074 236 I CB 2.187 40.207 38.000 0.034 0.000 1.258 236 I HN 0.257 nan 8.210 nan 0.000 0.430 237 V N 6.057 126.115 119.914 0.240 0.000 2.735 237 V HA 0.530 4.648 4.120 -0.004 0.000 0.310 237 V C -0.428 175.816 176.094 0.250 0.000 1.061 237 V CA -0.530 61.925 62.300 0.259 0.000 0.913 237 V CB 2.536 34.495 31.823 0.225 0.000 1.005 237 V HN 0.476 nan 8.190 nan 0.000 0.428 238 I N 3.030 123.757 120.570 0.262 0.000 2.476 238 I HA 0.523 4.690 4.170 -0.004 0.000 0.281 238 I C -0.348 175.884 176.117 0.193 0.000 1.040 238 I CA -0.014 61.390 61.300 0.174 0.000 1.094 238 I CB 1.958 40.039 38.000 0.135 0.000 1.219 238 I HN 0.706 nan 8.210 nan 0.000 0.450 239 T N 2.265 116.928 114.554 0.181 0.000 2.865 239 T HA 0.389 4.736 4.350 -0.004 0.000 0.294 239 T C -0.634 174.229 174.700 0.272 0.000 1.119 239 T CA -0.421 61.829 62.100 0.249 0.000 1.007 239 T CB 1.737 70.821 68.868 0.360 0.000 1.225 239 T HN 0.707 nan 8.240 nan 0.000 0.515 240 D N -0.109 120.503 120.400 0.354 0.000 2.563 240 D HA 0.388 5.025 4.640 -0.004 0.000 0.237 240 D C 0.443 176.994 176.300 0.419 0.000 1.282 240 D CA -0.228 54.044 54.000 0.454 0.000 0.816 240 D CB 0.296 41.314 40.800 0.364 0.000 1.066 240 D HN 0.802 nan 8.370 nan 0.000 0.501 241 G N -0.508 108.475 108.800 0.306 0.000 2.576 241 G HA2 0.376 4.334 3.960 -0.004 0.000 0.290 241 G HA3 0.376 4.334 3.960 -0.004 0.000 0.290 241 G C -0.774 174.141 174.900 0.025 0.000 1.442 241 G CA -0.973 44.134 45.100 0.012 0.000 0.792 241 G HN -0.004 nan 8.290 nan 0.000 0.491 242 K N -0.425 119.937 120.400 -0.063 0.000 2.462 242 K HA 0.287 4.604 4.320 -0.004 0.000 0.257 242 K C 0.336 176.997 176.600 0.103 0.000 1.062 242 K CA -0.283 56.020 56.287 0.027 0.000 0.923 242 K CB 0.355 32.846 32.500 -0.015 0.000 1.210 242 K HN 0.591 nan 8.250 nan 0.000 0.502 243 K N 1.610 122.084 120.400 0.123 0.000 2.281 243 K HA 0.124 4.441 4.320 -0.004 0.000 0.272 243 K C -0.760 175.838 176.600 -0.003 0.000 1.048 243 K CA -0.600 55.737 56.287 0.084 0.000 0.898 243 K CB 0.962 33.516 32.500 0.091 0.000 1.128 243 K HN 0.416 nan 8.250 nan 0.000 0.460 244 E N 2.929 123.090 120.200 -0.064 0.000 2.222 244 E HA 0.335 4.683 4.350 -0.004 0.000 0.267 244 E C 0.398 176.847 176.600 -0.252 0.000 0.884 244 E CA -0.629 55.711 56.400 -0.099 0.000 0.764 244 E CB 1.553 31.230 29.700 -0.039 0.000 1.169 244 E HN 0.767 nan 8.360 nan 0.000 0.413 245 G N 2.961 111.614 108.800 -0.245 0.000 2.245 245 G HA2 -0.358 3.600 3.960 -0.004 0.000 0.264 245 G HA3 -0.358 3.600 3.960 -0.004 0.000 0.264 245 G C 0.133 174.722 174.900 -0.517 0.000 0.985 245 G CA 0.467 45.338 45.100 -0.383 0.000 0.625 245 G HN 0.688 nan 8.290 nan 0.000 0.536 246 D N 1.326 121.452 120.400 -0.457 0.000 2.376 246 D HA 0.385 5.023 4.640 -0.004 0.000 0.278 246 D C 1.849 178.161 176.300 0.020 0.000 1.384 246 D CA 0.880 54.788 54.000 -0.153 0.000 1.033 246 D CB 0.192 40.946 40.800 -0.077 0.000 1.102 246 D HN 0.395 nan 8.370 nan 0.000 0.530 247 S N 3.184 118.991 115.700 0.179 0.000 2.595 247 S HA -0.012 4.456 4.470 -0.004 0.000 0.235 247 S C 0.896 175.524 174.600 0.045 0.000 0.974 247 S CA -0.027 58.235 58.200 0.103 0.000 0.942 247 S CB -0.060 63.221 63.200 0.136 0.000 0.766 247 S HN 0.423 nan 8.310 nan 0.000 0.536 248 L N 0.625 121.864 121.223 0.027 0.000 2.421 248 L HA 0.604 4.941 4.340 -0.004 0.000 0.267 248 L C -0.568 176.250 176.870 -0.087 0.000 1.036 248 L CA -0.934 53.882 54.840 -0.041 0.000 0.829 248 L CB 1.205 43.219 42.059 -0.075 0.000 1.437 248 L HN 0.140 nan 8.230 nan 0.000 0.488 249 D N -1.842 118.491 120.400 -0.113 0.000 2.661 249 D HA 0.176 4.813 4.640 -0.004 0.000 0.228 249 D C -0.171 176.055 176.300 -0.123 0.000 1.210 249 D CA -0.390 53.545 54.000 -0.108 0.000 0.826 249 D CB 1.597 42.392 40.800 -0.008 0.000 1.542 249 D HN 0.283 nan 8.370 nan 0.000 0.447 250 Y N 0.891 121.195 120.300 0.007 0.000 2.483 250 Y HA -0.150 4.397 4.550 -0.004 0.000 0.291 250 Y C 2.336 178.233 175.900 -0.003 0.000 1.143 250 Y CA 0.929 59.029 58.100 0.001 0.000 1.289 250 Y CB -0.138 38.325 38.460 0.004 0.000 0.983 250 Y HN 0.374 nan 8.280 nan 0.000 0.556 251 K N -0.630 119.844 120.400 0.124 0.000 2.362 251 K HA -0.116 4.201 4.320 -0.004 0.000 0.200 251 K C 0.486 177.109 176.600 0.039 0.000 1.046 251 K CA 1.822 58.153 56.287 0.073 0.000 0.952 251 K CB 0.025 32.557 32.500 0.053 0.000 0.753 251 K HN 0.169 nan 8.250 nan 0.000 0.466 252 D N 0.766 121.178 120.400 0.020 0.000 2.463 252 D HA -0.052 4.586 4.640 -0.004 0.000 0.237 252 D C 2.112 178.412 176.300 -0.000 0.000 1.013 252 D CA 1.061 55.060 54.000 -0.001 0.000 0.910 252 D CB 0.240 41.025 40.800 -0.026 0.000 1.080 252 D HN 0.195 nan 8.370 nan 0.000 0.498 253 V N -0.247 119.666 119.914 -0.003 0.000 2.346 253 V HA -0.096 4.021 4.120 -0.004 0.000 0.244 253 V C 2.234 178.354 176.094 0.043 0.000 1.037 253 V CA 0.671 62.972 62.300 0.001 0.000 1.029 253 V CB -0.622 31.178 31.823 -0.037 0.000 0.663 253 V HN -0.044 nan 8.190 nan 0.000 0.454 254 I N 1.091 121.703 120.570 0.069 0.000 2.151 254 I HA -0.094 4.073 4.170 -0.004 0.000 0.243 254 I C 0.468 176.594 176.117 0.016 0.000 1.080 254 I CA 1.833 63.166 61.300 0.055 0.000 1.339 254 I CB -2.947 35.093 38.000 0.066 0.000 1.039 254 I HN 0.351 nan 8.210 nan 0.000 0.409 255 P HA -0.188 nan 4.420 nan 0.000 0.211 255 P C 2.136 179.430 177.300 -0.010 0.000 1.179 255 P CA 1.670 64.769 63.100 -0.001 0.000 0.910 255 P CB -0.338 31.365 31.700 0.005 0.000 0.785 256 M N -1.814 117.792 119.600 0.010 0.000 2.446 256 M HA -0.032 4.445 4.480 -0.004 0.000 0.263 256 M C 1.791 178.069 176.300 -0.035 0.000 1.066 256 M CA 2.180 57.484 55.300 0.005 0.000 1.087 256 M CB -0.827 31.815 32.600 0.070 0.000 1.406 256 M HN -0.181 nan 8.290 nan 0.000 0.459 257 A N 1.115 123.920 122.820 -0.025 0.000 1.854 257 A HA -0.117 4.200 4.320 -0.004 0.000 0.214 257 A C 1.680 179.191 177.584 -0.123 0.000 1.192 257 A CA 1.755 53.747 52.037 -0.075 0.000 0.611 257 A CB -0.761 18.219 19.000 -0.034 0.000 0.832 257 A HN 0.497 nan 8.150 nan 0.000 0.442 258 D N 0.155 120.498 120.400 -0.096 0.000 2.311 258 D HA -0.026 4.611 4.640 -0.004 0.000 0.212 258 D C 2.062 178.296 176.300 -0.110 0.000 0.972 258 D CA 1.089 55.023 54.000 -0.110 0.000 0.887 258 D CB -0.202 40.547 40.800 -0.085 0.000 0.915 258 D HN 0.418 nan 8.370 nan 0.000 0.497 259 A N 0.991 123.751 122.820 -0.099 0.000 1.845 259 A HA -0.093 4.224 4.320 -0.004 0.000 0.215 259 A C 2.279 179.789 177.584 -0.124 0.000 1.195 259 A CA 2.143 54.123 52.037 -0.095 0.000 0.616 259 A CB -0.827 18.125 19.000 -0.080 0.000 0.832 259 A HN 0.231 nan 8.150 nan 0.000 0.443 260 A N -1.388 121.333 122.820 -0.165 0.000 2.172 260 A HA 0.383 4.700 4.320 -0.004 0.000 0.216 260 A C 1.547 178.997 177.584 -0.223 0.000 1.154 260 A CA 1.284 53.199 52.037 -0.204 0.000 0.701 260 A CB -1.287 17.548 19.000 -0.274 0.000 0.789 260 A HN 2.220 nan 8.150 nan 0.000 0.465 261 G N -0.564 108.114 108.800 -0.202 0.000 2.788 261 G HA2 -0.122 3.835 3.960 -0.004 0.000 0.249 261 G HA3 -0.122 3.835 3.960 -0.004 0.000 0.249 261 G C -0.507 174.241 174.900 -0.254 0.000 1.008 261 G CA 0.049 45.033 45.100 -0.192 0.000 1.220 261 G HN 0.658 nan 8.290 nan 0.000 0.506 262 I N 3.015 123.435 120.570 -0.250 0.000 2.493 262 I HA 0.310 4.477 4.170 -0.004 0.000 0.279 262 I C 0.843 176.824 176.117 -0.227 0.000 1.045 262 I CA -0.963 60.170 61.300 -0.279 0.000 1.106 262 I CB 1.295 39.101 38.000 -0.323 0.000 1.216 262 I HN 0.279 nan 8.210 nan 0.000 0.459 263 I N 5.818 126.255 120.570 -0.221 0.000 2.683 263 I HA 0.069 4.236 4.170 -0.004 0.000 0.286 263 I C 0.446 176.369 176.117 -0.322 0.000 1.175 263 I CA 0.466 61.567 61.300 -0.331 0.000 1.429 263 I CB 0.192 38.031 38.000 -0.268 0.000 1.371 263 I HN 0.486 nan 8.210 nan 0.000 0.569 264 R N 6.113 126.325 120.500 -0.480 0.000 2.439 264 R HA 0.482 4.819 4.340 -0.004 0.000 0.310 264 R C -1.251 174.854 176.300 -0.325 0.000 0.955 264 R CA -0.675 55.263 56.100 -0.269 0.000 0.853 264 R CB 1.610 31.808 30.300 -0.171 0.000 1.171 264 R HN 0.423 nan 8.270 nan 0.000 0.449 265 Y N 0.747 121.070 120.300 0.039 0.000 2.593 265 Y HA 0.744 5.292 4.550 -0.004 0.000 0.330 265 Y C 0.331 176.292 175.900 0.102 0.000 1.223 265 Y CA -0.670 57.512 58.100 0.137 0.000 1.350 265 Y CB 1.682 40.260 38.460 0.196 0.000 1.499 265 Y HN 0.603 nan 8.280 nan 0.000 0.554 266 A N 0.798 123.811 122.820 0.321 0.000 2.547 266 A HA 0.676 4.993 4.320 -0.004 0.000 0.298 266 A C -1.833 175.830 177.584 0.132 0.000 1.062 266 A CA -0.478 51.660 52.037 0.168 0.000 0.748 266 A CB 0.540 19.574 19.000 0.057 0.000 1.288 266 A HN 0.592 nan 8.150 nan 0.000 0.396 267 I N 2.622 123.235 120.570 0.072 0.000 2.503 267 I HA 0.528 4.696 4.170 -0.004 0.000 0.282 267 I C 0.652 176.664 176.117 -0.175 0.000 1.059 267 I CA -0.462 60.821 61.300 -0.028 0.000 1.081 267 I CB 2.008 40.003 38.000 -0.009 0.000 1.210 267 I HN 0.788 nan 8.210 nan 0.000 0.450 268 G N 4.699 113.270 108.800 -0.381 0.000 2.491 268 G HA2 0.769 4.727 3.960 -0.004 0.000 0.327 268 G HA3 0.769 4.727 3.960 -0.004 0.000 0.327 268 G C -1.029 173.414 174.900 -0.762 0.000 1.189 268 G CA -0.546 44.092 45.100 -0.769 0.000 0.956 268 G HN 0.300 nan 8.290 nan 0.000 0.491 269 V N -0.146 119.278 119.914 -0.818 0.000 2.697 269 V HA 0.715 4.833 4.120 -0.004 0.000 0.300 269 V C 0.639 176.654 176.094 -0.133 0.000 1.115 269 V CA 0.404 62.373 62.300 -0.551 0.000 0.912 269 V CB 1.078 32.358 31.823 -0.904 0.000 1.024 269 V HN 1.687 nan 8.190 nan 0.000 0.431 270 G N 2.932 111.714 108.800 -0.029 0.000 3.382 270 G HA2 -0.053 3.905 3.960 -0.004 0.000 0.214 270 G HA3 -0.053 3.905 3.960 -0.004 0.000 0.214 270 G C 0.521 175.539 174.900 0.196 0.000 1.025 270 G CA 0.296 45.508 45.100 0.186 0.000 0.869 270 G HN 1.623 nan 8.290 nan 0.000 0.458 271 L N -1.086 120.290 121.223 0.255 0.000 5.198 271 L HA -0.270 4.067 4.340 -0.004 0.000 0.414 271 L C 2.017 179.036 176.870 0.248 0.000 0.922 271 L CA 1.787 56.759 54.840 0.220 0.000 1.585 271 L CB -1.348 40.779 42.059 0.113 0.000 1.671 271 L HN 1.404 nan 8.230 nan 0.000 0.621 272 A N -0.530 122.438 122.820 0.245 0.000 2.178 272 A HA -0.059 4.258 4.320 -0.004 0.000 0.218 272 A C 1.528 179.158 177.584 0.077 0.000 1.157 272 A CA 1.776 53.876 52.037 0.105 0.000 0.689 272 A CB -0.813 18.193 19.000 0.009 0.000 0.787 272 A HN 0.639 nan 8.150 nan 0.000 0.465 273 F N -0.711 119.288 119.950 0.083 0.000 2.259 273 F HA -0.104 4.420 4.527 -0.005 0.000 0.298 273 F C 2.394 178.340 175.800 0.244 0.000 1.088 273 F CA 1.436 59.509 58.000 0.121 0.000 1.358 273 F CB -0.120 38.916 39.000 0.061 0.000 1.040 273 F HN 0.289 nan 8.300 nan 0.000 0.505 274 Q N 0.691 120.734 119.800 0.405 0.000 2.515 274 Q HA -0.050 4.288 4.340 -0.004 0.000 0.214 274 Q C -0.123 175.978 176.000 0.168 0.000 0.971 274 Q CA -0.038 55.965 55.803 0.334 0.000 0.952 274 Q CB -0.138 28.733 28.738 0.222 0.000 0.999 274 Q HN 0.240 nan 8.270 nan 0.000 0.524 275 N N 0.003 118.795 118.700 0.153 0.000 2.408 275 N HA 0.104 4.842 4.740 -0.004 0.000 0.260 275 N C 0.162 175.727 175.510 0.092 0.000 1.242 275 N CA -0.157 52.939 53.050 0.077 0.000 0.959 275 N CB 0.678 39.193 38.487 0.047 0.000 1.201 275 N HN 0.047 nan 8.380 nan 0.000 0.511 276 R N 0.919 121.440 120.500 0.036 0.000 2.335 276 R HA 0.061 4.398 4.340 -0.004 0.000 0.223 276 R C 0.367 176.704 176.300 0.061 0.000 0.940 276 R CA 0.137 56.256 56.100 0.032 0.000 1.086 276 R CB -0.717 29.570 30.300 -0.023 0.000 1.073 276 R HN 0.592 nan 8.270 nan 0.000 0.504 277 N N -1.445 117.290 118.700 0.058 0.000 2.227 277 N HA 0.026 4.764 4.740 -0.004 0.000 0.196 277 N C 0.380 175.912 175.510 0.036 0.000 1.142 277 N CA -0.038 53.037 53.050 0.041 0.000 0.887 277 N CB 0.467 38.963 38.487 0.014 0.000 1.022 277 N HN -0.224 nan 8.380 nan 0.000 0.500 278 S N -0.762 114.968 115.700 0.050 0.000 2.846 278 S HA 0.169 4.636 4.470 -0.004 0.000 0.249 278 S C 0.059 174.730 174.600 0.119 0.000 1.028 278 S CA -0.813 57.372 58.200 -0.025 0.000 1.043 278 S CB 0.013 63.069 63.200 -0.239 0.000 0.990 278 S HN 0.471 nan 8.310 nan 0.000 0.564 279 W N 3.441 124.752 121.300 0.018 0.000 2.872 279 W HA 0.125 4.781 4.660 -0.005 0.000 0.266 279 W C 1.275 177.809 176.519 0.026 0.000 1.276 279 W CA 0.367 57.748 57.345 0.060 0.000 1.471 279 W CB 0.151 29.635 29.460 0.041 0.000 1.071 279 W HN 0.331 nan 8.180 nan 0.000 0.619 280 K N 0.276 120.786 120.400 0.183 0.000 2.366 280 K HA -0.028 4.289 4.320 -0.004 0.000 0.198 280 K C 1.126 177.660 176.600 -0.109 0.000 1.044 280 K CA 1.103 57.430 56.287 0.067 0.000 0.973 280 K CB -0.438 32.107 32.500 0.076 0.000 0.767 280 K HN 0.064 nan 8.250 nan 0.000 0.475 281 E N 0.788 120.920 120.200 -0.113 0.000 2.502 281 E HA 0.081 4.429 4.350 -0.004 0.000 0.194 281 E C 1.446 177.941 176.600 -0.174 0.000 1.062 281 E CA 0.019 56.293 56.400 -0.210 0.000 0.867 281 E CB 0.158 29.828 29.700 -0.051 0.000 0.888 281 E HN 0.356 nan 8.360 nan 0.000 0.510 282 L N 0.254 121.362 121.223 -0.191 0.000 2.253 282 L HA -0.008 4.329 4.340 -0.004 0.000 0.205 282 L C 1.678 178.410 176.870 -0.230 0.000 1.078 282 L CA 0.335 55.046 54.840 -0.216 0.000 0.805 282 L CB -0.154 41.685 42.059 -0.368 0.000 0.963 282 L HN 0.077 nan 8.230 nan 0.000 0.459 283 N N 0.484 119.034 118.700 -0.249 0.000 2.080 283 N HA -0.160 4.577 4.740 -0.004 0.000 0.189 283 N C 1.379 176.798 175.510 -0.152 0.000 1.036 283 N CA 1.355 54.309 53.050 -0.160 0.000 0.846 283 N CB -0.426 38.014 38.487 -0.079 0.000 1.015 283 N HN 0.163 nan 8.380 nan 0.000 0.423 284 D N 0.946 121.220 120.400 -0.210 0.000 2.092 284 D HA -0.103 4.534 4.640 -0.004 0.000 0.193 284 D C 2.105 178.265 176.300 -0.235 0.000 0.994 284 D CA 0.661 54.505 54.000 -0.260 0.000 0.828 284 D CB -0.450 40.062 40.800 -0.481 0.000 0.963 284 D HN 0.239 nan 8.370 nan 0.000 0.450 285 I N 1.120 121.523 120.570 -0.277 0.000 2.099 285 I HA -0.227 3.941 4.170 -0.004 0.000 0.239 285 I C 1.438 177.516 176.117 -0.065 0.000 1.066 285 I CA 0.739 61.983 61.300 -0.093 0.000 1.324 285 I CB -0.429 37.558 38.000 -0.022 0.000 1.037 285 I HN -0.053 nan 8.210 nan 0.000 0.401 286 A N 0.103 122.868 122.820 -0.092 0.000 2.366 286 A HA 0.222 4.540 4.320 -0.004 0.000 0.250 286 A C 0.393 177.873 177.584 -0.174 0.000 1.099 286 A CA 0.110 52.074 52.037 -0.123 0.000 0.794 286 A CB 0.319 19.269 19.000 -0.084 0.000 1.056 286 A HN 0.270 nan 8.150 nan 0.000 0.499 287 S N -0.780 114.728 115.700 -0.320 0.000 2.617 287 S HA 0.400 4.867 4.470 -0.004 0.000 0.283 287 S C -0.019 174.446 174.600 -0.225 0.000 1.189 287 S CA -0.728 57.283 58.200 -0.314 0.000 1.036 287 S CB 0.351 63.293 63.200 -0.430 0.000 1.014 287 S HN 0.556 nan 8.310 nan 0.000 0.522 288 K N 2.640 122.980 120.400 -0.101 0.000 2.414 288 K HA 0.246 4.564 4.320 -0.004 0.000 0.272 288 K C -2.355 174.315 176.600 0.117 0.000 0.993 288 K CA -1.043 55.249 56.287 0.009 0.000 0.964 288 K CB -0.148 32.348 32.500 -0.006 0.000 0.925 288 K HN 0.432 nan 8.250 nan 0.000 0.487 289 P HA 0.120 nan 4.420 nan 0.000 0.276 289 P C -0.107 177.249 177.300 0.093 0.000 1.252 289 P CA -0.372 62.771 63.100 0.072 0.000 0.802 289 P CB 0.906 32.621 31.700 0.025 0.000 1.035 290 S N -0.288 115.433 115.700 0.035 0.000 2.461 290 S HA -0.083 4.384 4.470 -0.004 0.000 0.228 290 S C 1.399 175.975 174.600 -0.041 0.000 1.005 290 S CA 0.785 58.987 58.200 0.004 0.000 0.942 290 S CB -0.314 62.888 63.200 0.002 0.000 0.776 290 S HN 0.480 nan 8.310 nan 0.000 0.514 291 Q N 0.666 120.443 119.800 -0.038 0.000 2.403 291 Q HA 0.145 4.483 4.340 -0.004 0.000 0.203 291 Q C 0.982 176.882 176.000 -0.167 0.000 0.932 291 Q CA 0.458 56.216 55.803 -0.074 0.000 0.945 291 Q CB 0.146 28.872 28.738 -0.019 0.000 1.045 291 Q HN 0.659 nan 8.270 nan 0.000 0.511 292 E N -1.172 118.901 120.200 -0.212 0.000 2.332 292 E HA 0.021 4.368 4.350 -0.004 0.000 0.202 292 E C 0.201 176.591 176.600 -0.350 0.000 0.877 292 E CA 0.160 56.368 56.400 -0.319 0.000 0.979 292 E CB 0.333 29.780 29.700 -0.422 0.000 0.969 292 E HN 0.420 nan 8.360 nan 0.000 0.495 293 H N 0.197 119.216 119.070 -0.086 0.000 2.577 293 H HA 0.369 4.922 4.556 -0.005 0.000 0.306 293 H C -0.520 174.844 175.328 0.061 0.000 1.109 293 H CA 0.098 56.139 56.048 -0.011 0.000 1.063 293 H CB 0.063 29.597 29.762 -0.380 0.000 1.535 293 H HN -0.041 nan 8.280 nan 0.000 0.532 294 I N 0.134 120.611 120.570 -0.155 0.000 2.827 294 I HA 0.249 4.416 4.170 -0.004 0.000 0.298 294 I C -1.295 174.425 176.117 -0.662 0.000 1.235 294 I CA -0.817 60.357 61.300 -0.211 0.000 1.021 294 I CB 2.399 40.242 38.000 -0.263 0.000 1.259 294 I HN 0.056 nan 8.210 nan 0.000 0.427 295 F N 4.264 124.202 119.950 -0.019 0.000 2.946 295 F HA 0.297 4.821 4.527 -0.004 0.000 0.375 295 F C 0.083 175.815 175.800 -0.114 0.000 1.320 295 F CA -0.595 57.382 58.000 -0.040 0.000 1.181 295 F CB 0.907 39.905 39.000 -0.004 0.000 2.051 295 F HN 0.233 nan 8.300 nan 0.000 0.622 296 K N 1.329 121.689 120.400 -0.067 0.000 2.230 296 K HA 0.697 5.014 4.320 -0.004 0.000 0.253 296 K C -0.594 175.923 176.600 -0.138 0.000 1.008 296 K CA -0.107 56.073 56.287 -0.178 0.000 0.910 296 K CB 0.906 33.276 32.500 -0.218 0.000 0.994 296 K HN 0.284 nan 8.250 nan 0.000 0.495 297 V N 1.434 121.209 119.914 -0.233 0.000 3.216 297 V HA 0.134 4.252 4.120 -0.004 0.000 0.302 297 V C 0.051 176.005 176.094 -0.233 0.000 1.286 297 V CA -0.811 61.369 62.300 -0.199 0.000 1.048 297 V CB 1.903 33.585 31.823 -0.234 0.000 1.081 297 V HN 0.959 nan 8.190 nan 0.000 0.442 298 E N 0.131 120.232 120.200 -0.164 0.000 2.162 298 E HA 0.075 4.422 4.350 -0.004 0.000 0.193 298 E C -0.328 176.156 176.600 -0.193 0.000 0.953 298 E CA 0.360 56.678 56.400 -0.138 0.000 0.849 298 E CB 0.451 30.120 29.700 -0.051 0.000 0.810 298 E HN 0.737 nan 8.360 nan 0.000 0.470 299 D N -1.069 119.227 120.400 -0.172 0.000 2.217 299 D HA 0.129 4.767 4.640 -0.004 0.000 0.243 299 D C 0.055 176.248 176.300 -0.179 0.000 1.054 299 D CA -0.467 53.464 54.000 -0.115 0.000 0.838 299 D CB 0.930 41.718 40.800 -0.019 0.000 1.162 299 D HN -0.180 nan 8.370 nan 0.000 0.472 300 F N 1.077 120.991 119.950 -0.061 0.000 2.293 300 F HA -0.092 4.433 4.527 -0.004 0.000 0.300 300 F C 1.887 177.639 175.800 -0.081 0.000 1.086 300 F CA 0.687 58.633 58.000 -0.090 0.000 1.375 300 F CB 0.034 38.995 39.000 -0.064 0.000 1.045 300 F HN 0.359 nan 8.300 nan 0.000 0.516 301 D N 0.451 120.931 120.400 0.133 0.000 2.084 301 D HA -0.105 4.532 4.640 -0.004 0.000 0.196 301 D C 2.108 178.427 176.300 0.032 0.000 0.985 301 D CA 1.492 55.537 54.000 0.076 0.000 0.826 301 D CB -0.720 40.120 40.800 0.066 0.000 0.978 301 D HN 0.209 nan 8.370 nan 0.000 0.456 302 A N 0.481 123.303 122.820 0.005 0.000 2.265 302 A HA 0.083 4.401 4.320 -0.004 0.000 0.213 302 A C 1.757 179.309 177.584 -0.053 0.000 1.255 302 A CA -0.079 51.951 52.037 -0.010 0.000 0.862 302 A CB -0.641 18.353 19.000 -0.010 0.000 0.852 302 A HN 0.170 nan 8.150 nan 0.000 0.484 303 L N -1.017 120.145 121.223 -0.100 0.000 2.362 303 L HA 0.015 4.352 4.340 -0.004 0.000 0.219 303 L C 1.685 178.450 176.870 -0.175 0.000 1.134 303 L CA 1.802 56.494 54.840 -0.247 0.000 0.807 303 L CB -0.214 41.605 42.059 -0.400 0.000 0.927 303 L HN 0.311 nan 8.230 nan 0.000 0.447 304 K N -1.055 119.362 120.400 0.029 0.000 2.404 304 K HA -0.004 4.313 4.320 -0.004 0.000 0.194 304 K C 1.207 177.875 176.600 0.113 0.000 1.023 304 K CA 0.472 56.877 56.287 0.197 0.000 1.094 304 K CB 0.117 32.734 32.500 0.196 0.000 0.841 304 K HN 0.201 nan 8.250 nan 0.000 0.523 305 D N 1.796 122.226 120.400 0.050 0.000 2.219 305 D HA -0.119 4.519 4.640 -0.004 0.000 0.205 305 D C 1.506 177.827 176.300 0.034 0.000 0.970 305 D CA 0.763 54.785 54.000 0.036 0.000 0.851 305 D CB 0.202 41.014 40.800 0.019 0.000 0.943 305 D HN 0.389 nan 8.370 nan 0.000 0.488 306 I N -1.553 119.033 120.570 0.027 0.000 3.883 306 I HA 0.158 4.325 4.170 -0.004 0.000 0.326 306 I C 1.782 177.936 176.117 0.061 0.000 1.283 306 I CA -0.027 61.270 61.300 -0.004 0.000 1.161 306 I CB -0.079 37.892 38.000 -0.048 0.000 1.012 306 I HN -0.158 nan 8.210 nan 0.000 0.421 307 Q N 2.390 122.317 119.800 0.212 0.000 2.226 307 Q HA -0.258 4.080 4.340 -0.004 0.000 0.204 307 Q C 1.838 177.885 176.000 0.079 0.000 0.975 307 Q CA 2.250 58.205 55.803 0.253 0.000 0.866 307 Q CB -0.464 28.429 28.738 0.258 0.000 0.915 307 Q HN 0.612 nan 8.270 nan 0.000 0.440 308 N N -0.607 118.124 118.700 0.051 0.000 2.354 308 N HA -0.098 4.639 4.740 -0.004 0.000 0.179 308 N C 1.352 176.858 175.510 -0.006 0.000 1.021 308 N CA 1.289 54.352 53.050 0.022 0.000 0.887 308 N CB 0.119 38.620 38.487 0.023 0.000 0.974 308 N HN 0.466 nan 8.380 nan 0.000 0.437 309 Q N -0.705 119.064 119.800 -0.052 0.000 2.165 309 Q HA 0.044 4.381 4.340 -0.004 0.000 0.197 309 Q C 1.635 177.506 176.000 -0.214 0.000 0.952 309 Q CA 0.399 56.129 55.803 -0.121 0.000 0.848 309 Q CB -0.014 28.618 28.738 -0.176 0.000 0.931 309 Q HN 0.245 nan 8.270 nan 0.000 0.470 310 L N 2.467 123.530 121.223 -0.266 0.000 2.265 310 L HA -0.199 4.139 4.340 -0.004 0.000 0.215 310 L C 2.105 178.927 176.870 -0.081 0.000 1.117 310 L CA 1.634 56.312 54.840 -0.271 0.000 0.782 310 L CB -0.463 41.498 42.059 -0.163 0.000 0.914 310 L HN 0.134 nan 8.230 nan 0.000 0.441 311 K N -0.517 119.882 120.400 -0.002 0.000 2.071 311 K HA -0.334 3.983 4.320 -0.004 0.000 0.217 311 K C 1.961 178.670 176.600 0.182 0.000 1.054 311 K CA 2.415 58.759 56.287 0.095 0.000 0.937 311 K CB -0.777 31.771 32.500 0.080 0.000 0.719 311 K HN 0.649 nan 8.250 nan 0.000 0.454 312 E N 0.606 120.876 120.200 0.117 0.000 2.045 312 E HA -0.098 4.249 4.350 -0.004 0.000 0.190 312 E C 1.942 178.643 176.600 0.168 0.000 0.968 312 E CA 0.192 56.693 56.400 0.168 0.000 0.813 312 E CB 0.165 29.929 29.700 0.107 0.000 0.780 312 E HN 0.129 nan 8.360 nan 0.000 0.455 313 K N 0.677 121.148 120.400 0.118 0.000 2.189 313 K HA -0.176 4.142 4.320 -0.004 0.000 0.207 313 K C 2.095 178.828 176.600 0.222 0.000 1.046 313 K CA 1.215 57.620 56.287 0.196 0.000 0.928 313 K CB -0.322 32.340 32.500 0.271 0.000 0.720 313 K HN 0.397 nan 8.250 nan 0.000 0.458 314 I N -0.892 119.736 120.570 0.096 0.000 2.480 314 I HA -0.158 4.009 4.170 -0.004 0.000 0.251 314 I C 1.859 178.029 176.117 0.088 0.000 1.124 314 I CA 0.503 61.853 61.300 0.083 0.000 1.444 314 I CB -0.147 37.842 38.000 -0.019 0.000 1.098 314 I HN -0.077 nan 8.210 nan 0.000 0.428 315 F N 1.264 121.297 119.950 0.138 0.000 2.234 315 F HA -0.073 4.451 4.527 -0.005 0.000 0.299 315 F C 2.532 178.381 175.800 0.080 0.000 1.087 315 F CA 1.068 59.119 58.000 0.084 0.000 1.340 315 F CB -0.667 38.331 39.000 -0.004 0.000 1.031 315 F HN -0.028 nan 8.300 nan 0.000 0.500 316 A N -0.018 122.962 122.820 0.267 0.000 2.248 316 A HA -0.010 4.307 4.320 -0.004 0.000 0.210 316 A C 1.169 178.845 177.584 0.154 0.000 1.174 316 A CA -0.046 52.101 52.037 0.182 0.000 0.750 316 A CB -1.231 17.862 19.000 0.155 0.000 0.780 316 A HN 0.317 nan 8.150 nan 0.000 0.478 317 I N -0.130 120.539 120.570 0.164 0.000 2.587 317 I HA 0.039 4.206 4.170 -0.004 0.000 0.284 317 I C 0.926 177.095 176.117 0.086 0.000 1.134 317 I CA 0.350 61.726 61.300 0.126 0.000 1.410 317 I CB 0.622 38.696 38.000 0.124 0.000 1.392 317 I HN 0.526 nan 8.210 nan 0.000 0.545 318 E N 4.870 125.105 120.200 0.058 0.000 2.905 318 E HA 0.352 4.700 4.350 -0.004 0.000 0.197 318 E C 0.087 176.688 176.600 0.002 0.000 1.016 318 E CA 0.083 56.498 56.400 0.025 0.000 1.307 318 E CB 0.968 30.680 29.700 0.020 0.000 1.255 318 E HN 0.713 nan 8.360 nan 0.000 0.527 319 G N 0.272 109.076 108.800 0.007 0.000 2.405 319 G HA2 0.261 4.219 3.960 -0.004 0.000 0.312 319 G HA3 0.261 4.219 3.960 -0.004 0.000 0.312 319 G C -1.421 173.479 174.900 -0.000 0.000 1.579 319 G CA -0.186 44.910 45.100 -0.008 0.000 0.933 319 G HN -0.024 nan 8.290 nan 0.000 0.628 320 T N 0.448 114.996 114.554 -0.010 0.000 3.064 320 T HA 0.642 4.989 4.350 -0.004 0.000 0.367 320 T C 0.284 174.972 174.700 -0.020 0.000 1.202 320 T CA 0.056 62.152 62.100 -0.006 0.000 1.133 320 T CB 0.736 69.604 68.868 -0.000 0.000 1.074 320 T HN 0.729 nan 8.240 nan 0.000 0.519 321 E N 2.242 122.434 120.200 -0.015 0.000 3.151 321 E HA 0.052 4.399 4.350 -0.004 0.000 0.246 321 E C 0.298 176.892 176.600 -0.010 0.000 1.150 321 E CA 0.132 56.521 56.400 -0.019 0.000 1.806 321 E CB 0.373 30.057 29.700 -0.027 0.000 2.295 321 E HN 0.554 nan 8.360 nan 0.000 1.000 322 T N 1.054 115.605 114.554 -0.004 0.000 3.273 322 T HA 0.173 4.520 4.350 -0.004 0.000 0.242 322 T C -0.014 174.692 174.700 0.011 0.000 1.228 322 T CA 0.301 62.403 62.100 0.003 0.000 1.173 322 T CB -0.442 68.430 68.868 0.006 0.000 1.134 322 T HN 0.320 nan 8.240 nan 0.000 0.635 323 T N -0.292 114.268 114.554 0.010 0.000 3.287 323 T HA -0.280 4.067 4.350 -0.004 0.000 0.428 323 T C 0.479 175.192 174.700 0.023 0.000 0.770 323 T CA 0.391 62.501 62.100 0.016 0.000 2.165 323 T CB -3.180 65.698 68.868 0.017 0.000 1.677 323 T HN 2.205 nan 8.240 nan 0.000 0.633 324 S N -1.306 114.408 115.700 0.022 0.000 3.231 324 S HA -0.169 4.298 4.470 -0.004 0.000 0.334 324 S C 0.477 175.099 174.600 0.035 0.000 0.910 324 S CA 0.511 58.728 58.200 0.028 0.000 1.342 324 S CB -1.759 61.462 63.200 0.036 0.000 0.950 324 S HN 1.778 nan 8.310 nan 0.000 0.526 325 S N 1.176 116.896 115.700 0.033 0.000 2.640 325 S HA 0.678 5.145 4.470 -0.004 0.000 0.262 325 S C 0.538 175.174 174.600 0.059 0.000 1.232 325 S CA -0.042 58.187 58.200 0.049 0.000 0.988 325 S CB 0.616 63.844 63.200 0.046 0.000 1.034 325 S HN 1.767 nan 8.310 nan 0.000 0.569 326 S N 1.288 117.047 115.700 0.099 0.000 2.542 326 S HA 0.567 5.035 4.470 -0.004 0.000 0.245 326 S C -0.551 174.165 174.600 0.194 0.000 1.325 326 S CA -0.765 57.517 58.200 0.137 0.000 1.176 326 S CB 0.871 64.217 63.200 0.244 0.000 1.045 326 S HN 0.400 nan 8.310 nan 0.000 0.481 327 S N 2.060 117.792 115.700 0.053 0.000 2.693 327 S HA 0.884 5.351 4.470 -0.004 0.000 0.276 327 S C -0.756 173.816 174.600 -0.047 0.000 1.192 327 S CA -0.386 57.871 58.200 0.095 0.000 0.994 327 S CB 0.428 63.644 63.200 0.027 0.000 1.012 327 S HN 0.675 nan 8.310 nan 0.000 0.550 328 F N -0.672 119.311 119.950 0.055 0.000 3.016 328 F HA 0.441 4.964 4.527 -0.007 0.000 0.324 328 F C 0.772 176.583 175.800 0.018 0.000 1.196 328 F CA -0.682 57.309 58.000 -0.015 0.000 0.929 328 F CB 1.256 40.195 39.000 -0.101 0.000 1.440 328 F HN 0.491 nan 8.300 nan 0.000 0.505 329 E N -0.286 120.017 120.200 0.172 0.000 3.730 329 E HA 0.396 4.743 4.350 -0.004 0.000 0.233 329 E C -0.806 175.689 176.600 -0.176 0.000 1.281 329 E CA 0.113 56.583 56.400 0.115 0.000 1.519 329 E CB 0.891 30.640 29.700 0.080 0.000 2.292 329 E HN 0.377 nan 8.360 nan 0.000 0.655 330 L N 2.183 123.302 121.223 -0.173 0.000 2.613 330 L HA 0.272 4.610 4.340 -0.004 0.000 0.275 330 L C 0.045 176.781 176.870 -0.223 0.000 1.453 330 L CA 0.060 54.746 54.840 -0.256 0.000 0.725 330 L CB 1.043 42.960 42.059 -0.237 0.000 1.013 330 L HN 0.029 nan 8.230 nan 0.000 0.520 331 E N 0.594 120.647 120.200 -0.245 0.000 2.206 331 E HA 0.219 4.567 4.350 -0.004 0.000 0.195 331 E C 0.654 177.172 176.600 -0.137 0.000 0.935 331 E CA 0.897 57.132 56.400 -0.275 0.000 0.875 331 E CB 0.391 29.672 29.700 -0.698 0.000 0.841 331 E HN 0.356 nan 8.360 nan 0.000 0.477 332 M N 0.007 119.445 119.600 -0.270 0.000 3.074 332 M HA 0.506 4.983 4.480 -0.004 0.000 0.252 332 M C 0.179 176.215 176.300 -0.441 0.000 1.181 332 M CA -0.242 54.911 55.300 -0.246 0.000 0.771 332 M CB 1.415 33.909 32.600 -0.176 0.000 1.375 332 M HN 0.045 nan 8.290 nan 0.000 0.512 333 A N -0.115 122.516 122.820 -0.315 0.000 2.267 333 A HA 0.129 4.446 4.320 -0.004 0.000 0.213 333 A C 1.052 178.566 177.584 -0.116 0.000 1.192 333 A CA 0.072 51.945 52.037 -0.273 0.000 0.851 333 A CB 0.100 18.953 19.000 -0.246 0.000 0.881 333 A HN 0.729 nan 8.150 nan 0.000 0.494 334 Q N 0.615 120.365 119.800 -0.082 0.000 2.406 334 Q HA -0.223 4.114 4.340 -0.004 0.000 0.339 334 Q C -0.052 175.962 176.000 0.024 0.000 1.337 334 Q CA 0.848 56.643 55.803 -0.013 0.000 0.985 334 Q CB -1.402 27.359 28.738 0.038 0.000 1.216 334 Q HN 0.853 nan 8.270 nan 0.000 0.415 335 E N -0.537 119.649 120.200 -0.024 0.000 2.481 335 E HA 0.105 4.452 4.350 -0.004 0.000 0.263 335 E C 1.242 177.856 176.600 0.023 0.000 0.992 335 E CA 1.077 57.485 56.400 0.014 0.000 0.938 335 E CB 0.157 29.811 29.700 -0.077 0.000 0.933 335 E HN 0.520 nan 8.360 nan 0.000 0.453 336 G N 3.711 112.551 108.800 0.067 0.000 2.157 336 G HA2 -0.324 3.633 3.960 -0.004 0.000 0.239 336 G HA3 -0.324 3.633 3.960 -0.004 0.000 0.239 336 G C 0.332 175.253 174.900 0.036 0.000 0.982 336 G CA 0.204 45.319 45.100 0.025 0.000 0.650 336 G HN 0.657 nan 8.290 nan 0.000 0.527 337 F N 2.426 122.338 119.950 -0.063 0.000 2.250 337 F HA 0.206 4.731 4.527 -0.002 0.000 0.301 337 F C 1.381 177.103 175.800 -0.131 0.000 1.077 337 F CA 2.132 60.065 58.000 -0.111 0.000 1.348 337 F CB 0.208 39.126 39.000 -0.136 0.000 1.040 337 F HN 0.715 nan 8.300 nan 0.000 0.509 338 S N -0.431 115.273 115.700 0.006 0.000 2.592 338 S HA 0.782 5.250 4.470 -0.004 0.000 0.275 338 S C -0.891 173.714 174.600 0.008 0.000 1.169 338 S CA -0.390 57.776 58.200 -0.056 0.000 0.958 338 S CB 1.087 64.290 63.200 0.004 0.000 1.095 338 S HN 0.481 nan 8.310 nan 0.000 0.471 339 A N 1.837 124.647 122.820 -0.016 0.000 2.454 339 A HA 0.993 5.310 4.320 -0.004 0.000 0.302 339 A C -0.862 176.726 177.584 0.006 0.000 1.079 339 A CA -1.008 51.017 52.037 -0.020 0.000 0.731 339 A CB 1.975 20.932 19.000 -0.072 0.000 1.299 339 A HN 1.931 nan 8.150 nan 0.000 0.413 340 V N 1.745 121.654 119.914 -0.009 0.000 3.000 340 V HA 0.650 4.767 4.120 -0.004 0.000 0.300 340 V C -1.295 174.834 176.094 0.057 0.000 1.251 340 V CA -0.778 61.580 62.300 0.096 0.000 0.972 340 V CB 1.633 33.521 31.823 0.109 0.000 1.065 340 V HN 0.877 nan 8.190 nan 0.000 0.431 341 F N 2.868 122.850 119.950 0.054 0.000 2.234 341 F HA 0.800 5.325 4.527 -0.004 0.000 0.292 341 F C 0.832 176.666 175.800 0.056 0.000 1.187 341 F CA 0.742 58.777 58.000 0.060 0.000 1.128 341 F CB 1.339 40.371 39.000 0.054 0.000 1.507 341 F HN 0.649 nan 8.300 nan 0.000 0.512 342 T N -0.746 113.976 114.554 0.280 0.000 3.230 342 T HA 0.171 4.518 4.350 -0.004 0.000 0.390 342 T C -2.456 172.334 174.700 0.150 0.000 1.761 342 T CA -1.077 61.124 62.100 0.170 0.000 1.129 342 T CB 0.982 69.922 68.868 0.119 0.000 1.583 342 T HN 0.138 nan 8.240 nan 0.000 0.480 343 P HA -0.107 nan 4.420 nan 0.000 0.219 343 P C 0.144 177.501 177.300 0.095 0.000 1.151 343 P CA 1.617 64.772 63.100 0.092 0.000 0.850 343 P CB -0.109 31.631 31.700 0.067 0.000 0.784 344 D N -1.487 118.973 120.400 0.099 0.000 3.133 344 D HA 0.447 5.084 4.640 -0.004 0.000 0.288 344 D C 0.596 176.962 176.300 0.110 0.000 1.346 344 D CA -0.612 53.448 54.000 0.100 0.000 0.934 344 D CB -0.622 40.237 40.800 0.099 0.000 1.042 344 D HN 0.168 nan 8.370 nan 0.000 0.506 345 G N 0.744 109.618 108.800 0.123 0.000 2.712 345 G HA2 -0.123 3.834 3.960 -0.004 0.000 0.686 345 G HA3 -0.123 3.834 3.960 -0.004 0.000 0.686 345 G C -2.859 172.106 174.900 0.109 0.000 1.321 345 G CA -1.112 44.065 45.100 0.128 0.000 0.813 345 G HN 0.263 nan 8.290 nan 0.000 0.599 346 P HA 0.482 nan 4.420 nan 0.000 0.274 346 P C -0.170 177.141 177.300 0.018 0.000 1.264 346 P CA -0.393 62.638 63.100 -0.115 0.000 0.795 346 P CB 0.733 32.262 31.700 -0.285 0.000 1.064 347 V N 0.823 120.714 119.914 -0.038 0.000 2.610 347 V HA 0.178 4.295 4.120 -0.004 0.000 0.288 347 V C -0.563 175.554 176.094 0.038 0.000 1.055 347 V CA -0.364 61.953 62.300 0.028 0.000 0.902 347 V CB 1.244 33.071 31.823 0.007 0.000 1.030 347 V HN 0.275 nan 8.190 nan 0.000 0.448 348 L N 3.299 124.602 121.223 0.133 0.000 2.375 348 L HA 0.908 5.245 4.340 -0.004 0.000 0.268 348 L C 0.869 177.836 176.870 0.161 0.000 1.058 348 L CA 0.175 55.092 54.840 0.128 0.000 0.803 348 L CB 1.488 43.643 42.059 0.160 0.000 1.212 348 L HN 0.675 nan 8.230 nan 0.000 0.451 349 G N 0.270 109.159 108.800 0.148 0.000 2.416 349 G HA2 0.699 4.657 3.960 -0.004 0.000 0.324 349 G HA3 0.699 4.657 3.960 -0.004 0.000 0.324 349 G C -1.121 173.895 174.900 0.194 0.000 1.194 349 G CA -0.359 44.838 45.100 0.162 0.000 0.922 349 G HN 0.796 nan 8.290 nan 0.000 0.467 350 A N 1.273 124.231 122.820 0.231 0.000 2.295 350 A HA 0.698 5.016 4.320 -0.004 0.000 0.318 350 A C 1.155 178.793 177.584 0.090 0.000 1.134 350 A CA -0.016 52.124 52.037 0.173 0.000 0.827 350 A CB 1.542 20.714 19.000 0.287 0.000 1.136 350 A HN 1.548 nan 8.150 nan 0.000 0.493 351 V N -0.862 119.065 119.914 0.022 0.000 2.911 351 V HA 0.341 4.459 4.120 -0.004 0.000 0.237 351 V C 1.419 177.529 176.094 0.027 0.000 1.156 351 V CA 1.135 63.492 62.300 0.095 0.000 1.180 351 V CB -0.745 31.164 31.823 0.143 0.000 0.932 351 V HN 0.998 nan 8.190 nan 0.000 0.483 352 G N 1.303 109.927 108.800 -0.293 0.000 3.424 352 G HA2 0.207 4.164 3.960 -0.004 0.000 0.263 352 G HA3 0.207 4.164 3.960 -0.004 0.000 0.263 352 G C 0.328 174.750 174.900 -0.796 0.000 1.310 352 G CA 0.221 44.747 45.100 -0.957 0.000 1.089 352 G HN 0.415 nan 8.290 nan 0.000 0.534 353 S N 1.291 116.664 115.700 -0.545 0.000 2.509 353 S HA 0.352 4.819 4.470 -0.004 0.000 0.287 353 S C 0.669 174.775 174.600 -0.823 0.000 1.248 353 S CA -0.344 57.298 58.200 -0.930 0.000 1.089 353 S CB -0.067 62.576 63.200 -0.929 0.000 0.900 353 S HN 0.456 nan 8.310 nan 0.000 0.496 354 F N 0.282 120.179 119.950 -0.087 0.000 2.369 354 F HA -0.345 4.178 4.527 -0.006 0.000 0.581 354 F C 1.881 177.703 175.800 0.037 0.000 1.044 354 F CA 1.370 59.369 58.000 -0.001 0.000 1.260 354 F CB -2.174 36.838 39.000 0.021 0.000 2.263 354 F HN 0.531 nan 8.300 nan 0.000 0.231 355 T N -3.113 111.638 114.554 0.327 0.000 3.535 355 T HA 0.283 4.631 4.350 -0.004 0.000 0.238 355 T C -0.160 174.726 174.700 0.309 0.000 0.909 355 T CA 0.446 62.719 62.100 0.287 0.000 0.928 355 T CB -1.569 67.431 68.868 0.220 0.000 1.134 355 T HN 0.567 nan 8.240 nan 0.000 0.627 356 W N 0.101 121.392 121.300 -0.016 0.000 5.271 356 W HA -0.302 4.356 4.660 -0.003 0.000 0.364 356 W C 1.834 178.301 176.519 -0.086 0.000 1.342 356 W CA 0.537 57.820 57.345 -0.102 0.000 0.899 356 W CB -2.420 26.930 29.460 -0.184 0.000 2.450 356 W HN 0.537 nan 8.180 nan 0.000 1.508 357 S N -0.173 115.613 115.700 0.142 0.000 2.344 357 S HA 0.269 4.737 4.470 -0.004 0.000 0.217 357 S C 1.452 176.115 174.600 0.104 0.000 1.033 357 S CA 2.639 60.926 58.200 0.144 0.000 1.017 357 S CB -0.380 62.970 63.200 0.249 0.000 0.941 357 S HN 1.373 nan 8.310 nan 0.000 0.430 358 G N -1.777 107.055 108.800 0.054 0.000 2.408 358 G HA2 0.456 4.413 3.960 -0.004 0.000 0.682 358 G HA3 0.456 4.413 3.960 -0.004 0.000 0.682 358 G C -0.042 174.863 174.900 0.008 0.000 1.303 358 G CA -0.494 44.633 45.100 0.045 0.000 0.966 358 G HN 1.575 nan 8.290 nan 0.000 0.560 359 G N -1.683 107.095 108.800 -0.036 0.000 2.344 359 G HA2 0.821 4.778 3.960 -0.004 0.000 0.282 359 G HA3 0.821 4.778 3.960 -0.004 0.000 0.282 359 G C -0.759 174.007 174.900 -0.224 0.000 1.281 359 G CA 1.150 46.063 45.100 -0.312 0.000 0.877 359 G HN 2.718 nan 8.290 nan 0.000 0.494 360 A N -0.991 121.529 122.820 -0.501 0.000 2.513 360 A HA 0.722 5.039 4.320 -0.004 0.000 0.296 360 A C -1.625 175.817 177.584 -0.237 0.000 1.052 360 A CA -0.561 51.369 52.037 -0.178 0.000 0.714 360 A CB 0.871 19.778 19.000 -0.156 0.000 1.279 360 A HN 1.044 nan 8.150 nan 0.000 0.397 361 F N 1.979 121.955 119.950 0.044 0.000 2.411 361 F HA 0.465 4.989 4.527 -0.005 0.000 0.355 361 F C 0.401 175.952 175.800 -0.414 0.000 1.117 361 F CA -0.141 57.794 58.000 -0.109 0.000 1.139 361 F CB 1.402 40.294 39.000 -0.180 0.000 1.120 361 F HN 0.567 nan 8.300 nan 0.000 0.493 362 L N 5.197 126.241 121.223 -0.298 0.000 2.292 362 L HA 0.417 4.755 4.340 -0.004 0.000 0.284 362 L C -1.395 175.216 176.870 -0.432 0.000 1.065 362 L CA -0.652 54.028 54.840 -0.266 0.000 0.806 362 L CB 0.607 42.594 42.059 -0.120 0.000 1.175 362 L HN 0.499 nan 8.230 nan 0.000 0.431 363 Y N 5.519 125.840 120.300 0.035 0.000 2.478 363 Y HA 0.433 4.981 4.550 -0.004 0.000 0.329 363 Y C -2.113 173.802 175.900 0.024 0.000 0.967 363 Y CA -2.434 55.678 58.100 0.021 0.000 1.255 363 Y CB 0.598 39.054 38.460 -0.007 0.000 1.103 363 Y HN 0.538 nan 8.280 nan 0.000 0.497 364 P HA 0.059 nan 4.420 nan 0.000 0.288 364 P C -2.384 174.980 177.300 0.105 0.000 1.291 364 P CA -1.278 61.886 63.100 0.106 0.000 0.766 364 P CB 0.031 31.777 31.700 0.077 0.000 1.242 365 P HA 0.029 nan 4.420 nan 0.000 0.244 365 P C -0.100 177.233 177.300 0.055 0.000 1.769 365 P CA 0.298 63.439 63.100 0.068 0.000 1.102 365 P CB -0.786 30.951 31.700 0.061 0.000 1.937 366 N N -0.115 118.618 118.700 0.056 0.000 2.929 366 N HA -0.173 4.565 4.740 -0.004 0.000 0.234 366 N C 0.193 175.728 175.510 0.042 0.000 0.908 366 N CA 0.846 53.920 53.050 0.041 0.000 0.993 366 N CB -1.182 37.323 38.487 0.029 0.000 1.075 366 N HN 0.461 nan 8.380 nan 0.000 0.603 367 M N 1.594 121.223 119.600 0.049 0.000 2.243 367 M HA 0.142 4.620 4.480 -0.004 0.000 0.341 367 M C 0.613 176.944 176.300 0.051 0.000 1.130 367 M CA -0.087 55.238 55.300 0.042 0.000 1.162 367 M CB 0.701 33.326 32.600 0.042 0.000 1.497 367 M HN 0.256 nan 8.290 nan 0.000 0.456 368 S N 4.882 120.602 115.700 0.034 0.000 2.558 368 S HA 0.318 4.785 4.470 -0.004 0.000 0.288 368 S C -2.406 172.211 174.600 0.029 0.000 1.318 368 S CA -1.091 57.132 58.200 0.038 0.000 1.056 368 S CB -0.380 62.828 63.200 0.013 0.000 0.853 368 S HN 0.612 nan 8.310 nan 0.000 0.505 369 P HA 0.282 nan 4.420 nan 0.000 0.276 369 P C 0.281 177.526 177.300 -0.092 0.000 1.252 369 P CA -0.410 62.661 63.100 -0.048 0.000 0.802 369 P CB 0.753 32.361 31.700 -0.153 0.000 1.035 370 T N -2.015 112.438 114.554 -0.168 0.000 2.855 370 T HA 0.748 5.096 4.350 -0.004 0.000 0.275 370 T C -1.004 173.595 174.700 -0.169 0.000 1.022 370 T CA -0.562 61.411 62.100 -0.212 0.000 0.977 370 T CB 0.898 69.531 68.868 -0.393 0.000 1.559 370 T HN 0.399 nan 8.240 nan 0.000 0.600 371 F N 0.133 119.795 119.950 -0.480 0.000 2.690 371 F HA 0.540 5.064 4.527 -0.005 0.000 0.311 371 F C -2.132 173.354 175.800 -0.523 0.000 1.111 371 F CA -1.433 56.171 58.000 -0.659 0.000 1.003 371 F CB 1.317 39.743 39.000 -0.958 0.000 1.283 371 F HN 0.798 nan 8.300 nan 0.000 0.442 372 I N 3.806 123.500 120.570 -1.461 0.000 2.466 372 I HA 0.523 4.690 4.170 -0.004 0.000 0.279 372 I C -0.957 174.375 176.117 -1.309 0.000 1.033 372 I CA -0.605 60.032 61.300 -1.106 0.000 1.123 372 I CB 1.099 38.606 38.000 -0.823 0.000 1.237 372 I HN 0.582 nan 8.210 nan 0.000 0.460 373 N N 5.932 124.112 118.700 -0.866 0.000 2.547 373 N HA 0.434 5.172 4.740 -0.004 0.000 0.301 373 N C 0.275 175.647 175.510 -0.230 0.000 1.328 373 N CA -0.549 52.284 53.050 -0.362 0.000 0.932 373 N CB 0.341 38.974 38.487 0.245 0.000 1.104 373 N HN 0.513 nan 8.380 nan 0.000 0.548 374 M N -0.471 119.120 119.600 -0.016 0.000 2.405 374 M HA 0.213 4.690 4.480 -0.004 0.000 0.292 374 M C -0.336 175.983 176.300 0.032 0.000 1.111 374 M CA 0.144 55.474 55.300 0.050 0.000 0.979 374 M CB -1.391 31.285 32.600 0.126 0.000 1.426 374 M HN 0.925 nan 8.290 nan 0.000 0.509 375 S N -0.095 115.600 115.700 -0.009 0.000 3.832 375 S HA -0.228 4.240 4.470 -0.004 0.000 0.719 375 S C 0.278 174.849 174.600 -0.049 0.000 1.382 375 S CA 0.721 58.897 58.200 -0.040 0.000 1.406 375 S CB -0.359 62.832 63.200 -0.016 0.000 0.425 375 S HN 0.608 nan 8.310 nan 0.000 0.834 376 Q N 0.341 120.089 119.800 -0.087 0.000 2.339 376 Q HA 0.092 4.429 4.340 -0.004 0.000 0.205 376 Q C 1.856 177.836 176.000 -0.032 0.000 0.925 376 Q CA 0.748 56.502 55.803 -0.081 0.000 0.898 376 Q CB -0.153 28.508 28.738 -0.129 0.000 1.013 376 Q HN 0.811 nan 8.270 nan 0.000 0.504 377 E N 0.825 121.010 120.200 -0.024 0.000 2.393 377 E HA -0.169 4.178 4.350 -0.004 0.000 0.201 377 E C 0.105 176.713 176.600 0.014 0.000 1.025 377 E CA 0.303 56.700 56.400 -0.004 0.000 0.856 377 E CB -0.081 29.619 29.700 -0.000 0.000 0.771 377 E HN 0.139 nan 8.360 nan 0.000 0.526 378 N N 0.453 119.166 118.700 0.022 0.000 2.555 378 N HA -0.030 4.707 4.740 -0.004 0.000 0.244 378 N C 0.900 176.438 175.510 0.047 0.000 1.114 378 N CA -0.120 52.957 53.050 0.046 0.000 0.963 378 N CB 0.941 39.468 38.487 0.066 0.000 1.276 378 N HN -0.068 nan 8.380 nan 0.000 0.510 379 V N -0.064 119.873 119.914 0.039 0.000 2.392 379 V HA -0.169 3.948 4.120 -0.004 0.000 0.249 379 V C 0.994 177.106 176.094 0.030 0.000 1.059 379 V CA 1.495 63.812 62.300 0.028 0.000 1.051 379 V CB -0.891 30.944 31.823 0.020 0.000 0.658 379 V HN 0.611 nan 8.190 nan 0.000 0.455 380 D N -0.343 120.083 120.400 0.045 0.000 2.315 380 D HA 0.176 4.813 4.640 -0.004 0.000 0.275 380 D C 1.004 177.331 176.300 0.046 0.000 1.218 380 D CA -0.148 53.861 54.000 0.014 0.000 1.040 380 D CB 0.099 40.916 40.800 0.029 0.000 1.123 380 D HN 0.274 nan 8.370 nan 0.000 0.541 381 M N -2.713 116.896 119.600 0.016 0.000 2.921 381 M HA -0.213 4.264 4.480 -0.004 0.000 0.206 381 M C -1.069 175.245 176.300 0.023 0.000 0.574 381 M CA 0.472 55.833 55.300 0.102 0.000 0.746 381 M CB -0.941 31.775 32.600 0.193 0.000 2.693 381 M HN 0.401 nan 8.290 nan 0.000 0.439 382 R N 1.971 122.443 120.500 -0.046 0.000 2.316 382 R HA 0.199 4.537 4.340 -0.004 0.000 0.314 382 R C -0.090 176.126 176.300 -0.140 0.000 1.069 382 R CA 0.213 56.291 56.100 -0.037 0.000 0.959 382 R CB 0.219 30.502 30.300 -0.029 0.000 0.987 382 R HN 0.347 nan 8.270 nan 0.000 0.446 383 D N 1.839 122.165 120.400 -0.123 0.000 3.187 383 D HA -0.119 4.519 4.640 -0.004 0.000 0.244 383 D C 0.142 176.176 176.300 -0.443 0.000 1.114 383 D CA 1.482 55.279 54.000 -0.339 0.000 0.920 383 D CB -0.902 39.672 40.800 -0.376 0.000 0.970 383 D HN 0.726 nan 8.370 nan 0.000 0.418 384 S N -0.762 114.732 115.700 -0.344 0.000 2.728 384 S HA 0.087 4.555 4.470 -0.004 0.000 0.257 384 S C 0.614 175.162 174.600 -0.086 0.000 1.060 384 S CA -0.283 57.788 58.200 -0.214 0.000 1.126 384 S CB 0.227 63.422 63.200 -0.009 0.000 1.099 384 S HN 0.281 nan 8.310 nan 0.000 0.617 385 Y N 0.771 121.109 120.300 0.063 0.000 3.305 385 Y HA -0.158 4.391 4.550 -0.001 0.000 0.212 385 Y C 0.219 176.179 175.900 0.100 0.000 1.248 385 Y CA -0.121 58.035 58.100 0.093 0.000 1.359 385 Y CB -2.525 35.993 38.460 0.097 0.000 1.407 385 Y HN 0.517 nan 8.280 nan 0.000 0.572 386 L N 1.240 122.573 121.223 0.184 0.000 2.745 386 L HA 0.380 4.717 4.340 -0.004 0.000 0.273 386 L C 1.198 178.160 176.870 0.153 0.000 1.156 386 L CA 1.665 56.598 54.840 0.155 0.000 0.982 386 L CB -0.079 42.056 42.059 0.127 0.000 1.295 386 L HN 0.667 nan 8.230 nan 0.000 0.483 387 G N 3.197 112.106 108.800 0.181 0.000 2.183 387 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.168 387 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.168 387 G C 0.507 175.561 174.900 0.256 0.000 1.008 387 G CA 0.200 45.404 45.100 0.172 0.000 0.677 387 G HN 0.712 nan 8.290 nan 0.000 0.498 388 Y N 2.340 122.748 120.300 0.179 0.000 2.207 388 Y HA 0.132 4.680 4.550 -0.003 0.000 0.287 388 Y C 1.637 177.770 175.900 0.387 0.000 1.156 388 Y CA 2.394 60.665 58.100 0.286 0.000 1.182 388 Y CB 0.170 38.757 38.460 0.212 0.000 0.979 388 Y HN 0.672 nan 8.280 nan 0.000 0.521 389 S N -0.621 115.322 115.700 0.405 0.000 2.536 389 S HA 0.667 5.135 4.470 -0.004 0.000 0.287 389 S C -0.588 174.099 174.600 0.145 0.000 1.101 389 S CA -0.203 58.139 58.200 0.237 0.000 0.950 389 S CB 2.153 65.497 63.200 0.240 0.000 1.056 389 S HN 0.323 nan 8.310 nan 0.000 0.481 390 T N -0.992 113.618 114.554 0.093 0.000 2.912 390 T HA 0.817 5.164 4.350 -0.004 0.000 0.299 390 T C -1.107 173.624 174.700 0.052 0.000 1.052 390 T CA -0.502 61.639 62.100 0.069 0.000 0.996 390 T CB 1.865 70.771 68.868 0.063 0.000 1.070 390 T HN 0.780 nan 8.240 nan 0.000 0.465 391 E N 1.016 121.242 120.200 0.043 0.000 2.392 391 E HA 0.621 4.969 4.350 -0.004 0.000 0.279 391 E C -1.673 174.949 176.600 0.038 0.000 0.964 391 E CA -0.866 55.559 56.400 0.042 0.000 0.777 391 E CB 1.799 31.517 29.700 0.029 0.000 1.249 391 E HN 0.682 nan 8.360 nan 0.000 0.449 392 L N 2.082 123.336 121.223 0.052 0.000 2.479 392 L HA 0.826 5.163 4.340 -0.004 0.000 0.249 392 L C -0.351 176.540 176.870 0.035 0.000 1.178 392 L CA 0.472 55.343 54.840 0.052 0.000 0.811 392 L CB 1.363 43.468 42.059 0.077 0.000 1.187 392 L HN 0.674 nan 8.230 nan 0.000 0.480 393 A N 3.362 126.204 122.820 0.036 0.000 3.368 393 A HA 0.286 4.604 4.320 -0.004 0.000 0.211 393 A C -0.434 177.199 177.584 0.080 0.000 1.004 393 A CA -0.469 51.589 52.037 0.035 0.000 1.059 393 A CB -0.633 18.354 19.000 -0.022 0.000 1.298 393 A HN 0.692 nan 8.150 nan 0.000 0.613 394 L N 0.279 121.560 121.223 0.098 0.000 2.536 394 L HA 0.264 4.602 4.340 -0.004 0.000 0.294 394 L C -0.074 176.936 176.870 0.233 0.000 1.257 394 L CA 0.842 55.760 54.840 0.130 0.000 0.850 394 L CB 0.364 42.478 42.059 0.091 0.000 1.105 394 L HN 0.648 nan 8.230 nan 0.000 0.517 395 W N 3.981 125.281 121.300 -0.000 0.000 3.074 395 W HA 0.262 4.920 4.660 -0.003 0.000 0.332 395 W C 0.568 177.087 176.519 -0.000 0.000 1.253 395 W CA -0.896 56.449 57.345 -0.000 0.000 1.180 395 W CB 1.077 30.535 29.460 -0.003 0.000 1.445 395 W HN 0.576 nan 8.180 nan 0.000 0.573 396 K N 0.922 120.704 120.400 -1.030 0.000 2.228 396 K HA -0.111 4.207 4.320 -0.004 0.000 0.205 396 K C 1.051 177.278 176.600 -0.622 0.000 1.045 396 K CA 2.158 57.916 56.287 -0.881 0.000 0.931 396 K CB -0.463 31.352 32.500 -1.141 0.000 0.727 396 K HN 0.596 nan 8.250 nan 0.000 0.458 397 G N 0.109 108.588 108.800 -0.536 0.000 3.329 397 G HA2 0.255 4.212 3.960 -0.004 0.000 0.180 397 G HA3 0.255 4.212 3.960 -0.004 0.000 0.180 397 G C -0.062 174.916 174.900 0.129 0.000 1.640 397 G CA 0.100 45.194 45.100 -0.010 0.000 1.018 397 G HN 0.163 nan 8.290 nan 0.000 0.581 398 V N -1.561 118.486 119.914 0.222 0.000 3.170 398 V HA 0.586 4.703 4.120 -0.004 0.000 0.309 398 V C -0.009 176.172 176.094 0.145 0.000 1.071 398 V CA -0.890 61.486 62.300 0.126 0.000 1.063 398 V CB 1.004 32.865 31.823 0.064 0.000 1.123 398 V HN 0.548 nan 8.190 nan 0.000 0.464 399 Q N 0.952 120.800 119.800 0.080 0.000 2.500 399 Q HA 0.615 4.952 4.340 -0.004 0.000 0.215 399 Q C -0.290 175.728 176.000 0.031 0.000 1.062 399 Q CA 0.145 55.990 55.803 0.071 0.000 0.996 399 Q CB 0.815 29.588 28.738 0.058 0.000 1.239 399 Q HN 0.958 nan 8.270 nan 0.000 0.578 400 S N -0.160 115.548 115.700 0.013 0.000 2.566 400 S HA 0.461 4.929 4.470 -0.004 0.000 0.273 400 S C -1.160 173.422 174.600 -0.030 0.000 1.157 400 S CA -0.726 57.447 58.200 -0.044 0.000 0.938 400 S CB 0.698 63.834 63.200 -0.107 0.000 1.087 400 S HN 0.377 nan 8.310 nan 0.000 0.474 401 L N 2.172 123.386 121.223 -0.014 0.000 2.431 401 L HA 0.812 5.149 4.340 -0.004 0.000 0.260 401 L C -0.743 176.128 176.870 0.002 0.000 1.098 401 L CA -0.871 53.978 54.840 0.016 0.000 0.800 401 L CB 1.209 43.291 42.059 0.038 0.000 1.210 401 L HN 0.355 nan 8.230 nan 0.000 0.465 402 V N 2.107 122.031 119.914 0.016 0.000 2.777 402 V HA 0.436 4.553 4.120 -0.004 0.000 0.306 402 V C -0.628 175.492 176.094 0.042 0.000 1.112 402 V CA -0.485 61.804 62.300 -0.017 0.000 0.917 402 V CB 2.171 33.944 31.823 -0.085 0.000 1.018 402 V HN 0.467 nan 8.190 nan 0.000 0.426 403 L N 3.158 124.424 121.223 0.072 0.000 2.362 403 L HA 0.871 5.209 4.340 -0.004 0.000 0.271 403 L C 0.559 177.471 176.870 0.070 0.000 1.002 403 L CA -0.689 54.213 54.840 0.104 0.000 0.818 403 L CB 2.133 44.294 42.059 0.169 0.000 1.298 403 L HN 0.761 nan 8.230 nan 0.000 0.420 404 G N 1.084 109.945 108.800 0.101 0.000 2.322 404 G HA2 0.588 4.545 3.960 -0.004 0.000 0.309 404 G HA3 0.588 4.545 3.960 -0.004 0.000 0.309 404 G C -0.433 174.526 174.900 0.099 0.000 1.121 404 G CA -0.316 44.827 45.100 0.071 0.000 0.886 404 G HN 0.723 nan 8.290 nan 0.000 0.447 405 A N 4.821 127.662 122.820 0.035 0.000 2.923 405 A HA 0.652 4.969 4.320 -0.004 0.000 0.343 405 A C -1.431 176.123 177.584 -0.050 0.000 1.199 405 A CA -1.323 50.739 52.037 0.042 0.000 0.878 405 A CB 1.226 20.270 19.000 0.073 0.000 1.104 405 A HN 0.408 nan 8.150 nan 0.000 0.483 406 P HA -0.167 nan 4.420 nan 0.000 0.217 406 P C 0.547 177.613 177.300 -0.390 0.000 1.148 406 P CA 1.358 64.104 63.100 -0.590 0.000 0.834 406 P CB 0.131 30.980 31.700 -1.417 0.000 0.783 407 R N -2.292 118.075 120.500 -0.221 0.000 2.903 407 R HA 0.200 4.537 4.340 -0.004 0.000 0.363 407 R C -0.509 175.693 176.300 -0.164 0.000 1.161 407 R CA -0.584 55.403 56.100 -0.189 0.000 1.109 407 R CB -0.293 29.866 30.300 -0.235 0.000 1.399 407 R HN 0.142 nan 8.270 nan 0.000 0.587 408 Y N 2.165 122.375 120.300 -0.150 0.000 2.531 408 Y HA -0.038 4.515 4.550 0.004 0.000 0.347 408 Y C 0.488 176.329 175.900 -0.099 0.000 1.024 408 Y CA 0.392 58.423 58.100 -0.115 0.000 1.306 408 Y CB 0.214 38.646 38.460 -0.047 0.000 1.149 408 Y HN 0.404 nan 8.280 nan 0.000 0.527 409 Q N 5.678 125.137 119.800 -0.568 0.000 2.494 409 Q HA -0.350 3.988 4.340 -0.004 0.000 0.266 409 Q C 0.059 176.034 176.000 -0.041 0.000 1.053 409 Q CA 1.148 56.748 55.803 -0.339 0.000 1.029 409 Q CB -1.559 26.988 28.738 -0.318 0.000 1.423 409 Q HN 1.126 nan 8.270 nan 0.000 0.516 410 H N -4.155 114.859 119.070 -0.093 0.000 3.415 410 H HA -0.216 4.338 4.556 -0.003 0.000 0.213 410 H C 1.368 176.697 175.328 0.002 0.000 1.091 410 H CA 1.822 57.842 56.048 -0.046 0.000 1.182 410 H CB -1.854 27.884 29.762 -0.041 0.000 1.160 410 H HN 0.743 nan 8.280 nan 0.000 0.319 411 T N -2.385 112.231 114.554 0.104 0.000 3.082 411 T HA 0.480 4.827 4.350 -0.004 0.000 0.235 411 T C 1.204 175.966 174.700 0.104 0.000 0.991 411 T CA 0.910 63.078 62.100 0.113 0.000 1.220 411 T CB 1.440 70.372 68.868 0.106 0.000 0.909 411 T HN 1.080 nan 8.240 nan 0.000 0.424 412 G N 1.110 109.992 108.800 0.136 0.000 2.944 412 G HA2 0.305 4.263 3.960 -0.004 0.000 0.471 412 G HA3 0.305 4.263 3.960 -0.004 0.000 0.471 412 G C -1.165 173.890 174.900 0.260 0.000 1.388 412 G CA -0.535 44.651 45.100 0.143 0.000 1.087 412 G HN 0.618 nan 8.290 nan 0.000 0.596 413 K N 1.042 121.551 120.400 0.181 0.000 2.395 413 K HA 0.909 5.226 4.320 -0.004 0.000 0.247 413 K C -0.186 176.467 176.600 0.088 0.000 0.973 413 K CA -0.410 55.947 56.287 0.117 0.000 0.828 413 K CB 2.183 34.503 32.500 -0.301 0.000 1.272 413 K HN 1.461 nan 8.250 nan 0.000 0.439 414 A N 2.452 125.349 122.820 0.128 0.000 2.330 414 A HA 0.609 4.927 4.320 -0.004 0.000 0.313 414 A C -1.370 176.160 177.584 -0.090 0.000 1.124 414 A CA -0.689 51.357 52.037 0.015 0.000 0.774 414 A CB 1.368 20.381 19.000 0.021 0.000 1.198 414 A HN 0.375 nan 8.150 nan 0.000 0.465 415 V N 3.785 123.575 119.914 -0.206 0.000 2.540 415 V HA 0.445 4.562 4.120 -0.004 0.000 0.302 415 V C -0.322 175.389 176.094 -0.639 0.000 1.035 415 V CA -0.286 61.740 62.300 -0.456 0.000 0.873 415 V CB 1.534 33.060 31.823 -0.495 0.000 0.992 415 V HN 0.768 nan 8.190 nan 0.000 0.428 416 I N 4.440 124.507 120.570 -0.839 0.000 2.412 416 I HA 0.530 4.697 4.170 -0.004 0.000 0.296 416 I C -0.898 174.673 176.117 -0.909 0.000 0.987 416 I CA -0.190 60.651 61.300 -0.764 0.000 1.180 416 I CB 1.380 38.872 38.000 -0.846 0.000 1.340 416 I HN 0.412 nan 8.210 nan 0.000 0.455 417 F N 2.776 122.517 119.950 -0.348 0.000 2.522 417 F HA 0.513 5.037 4.527 -0.005 0.000 0.324 417 F C 0.510 176.104 175.800 -0.344 0.000 1.077 417 F CA -0.652 57.146 58.000 -0.337 0.000 0.944 417 F CB 2.189 41.049 39.000 -0.233 0.000 1.175 417 F HN 0.284 nan 8.300 nan 0.000 0.468 418 T N 1.037 115.453 114.554 -0.230 0.000 2.932 418 T HA 0.381 4.728 4.350 -0.004 0.000 0.289 418 T C -0.798 173.766 174.700 -0.227 0.000 1.039 418 T CA -0.526 61.419 62.100 -0.259 0.000 1.024 418 T CB 1.193 69.816 68.868 -0.408 0.000 1.090 418 T HN 0.668 nan 8.240 nan 0.000 0.496 419 Q N 2.834 122.451 119.800 -0.305 0.000 2.851 419 Q HA 0.359 4.696 4.340 -0.004 0.000 0.331 419 Q C -0.440 175.077 176.000 -0.805 0.000 0.979 419 Q CA -0.491 54.864 55.803 -0.747 0.000 0.955 419 Q CB 1.148 29.491 28.738 -0.658 0.000 1.298 419 Q HN 0.459 nan 8.270 nan 0.000 0.432 420 V N 1.048 120.662 119.914 -0.500 0.000 2.963 420 V HA -0.035 4.083 4.120 -0.004 0.000 0.306 420 V C 0.931 176.711 176.094 -0.523 0.000 1.077 420 V CA -0.001 62.114 62.300 -0.309 0.000 1.124 420 V CB 1.544 33.364 31.823 -0.004 0.000 0.987 420 V HN 0.594 nan 8.190 nan 0.000 0.487 421 S N 4.528 120.048 115.700 -0.301 0.000 2.670 421 S HA 0.021 4.488 4.470 -0.004 0.000 0.308 421 S C 0.869 175.419 174.600 -0.085 0.000 1.232 421 S CA 0.109 58.182 58.200 -0.212 0.000 1.126 421 S CB -0.886 62.272 63.200 -0.070 0.000 0.897 421 S HN 0.773 nan 8.310 nan 0.000 0.508 422 R N 2.698 123.246 120.500 0.079 0.000 3.336 422 R HA -0.157 4.180 4.340 -0.004 0.000 0.260 422 R C 0.197 176.666 176.300 0.282 0.000 1.032 422 R CA 0.828 57.146 56.100 0.363 0.000 0.693 422 R CB -1.553 28.867 30.300 0.200 0.000 1.134 422 R HN 0.724 nan 8.270 nan 0.000 0.433 423 Q N -1.442 118.544 119.800 0.310 0.000 1.958 423 Q HA 0.052 4.390 4.340 -0.004 0.000 0.154 423 Q C 0.219 176.458 176.000 0.397 0.000 0.549 423 Q CA 0.249 56.198 55.803 0.244 0.000 0.824 423 Q CB 0.164 28.959 28.738 0.095 0.000 1.031 423 Q HN 0.445 nan 8.270 nan 0.000 0.312 424 W N 2.923 124.222 121.300 -0.001 0.000 5.721 424 W HA -0.225 4.432 4.660 -0.005 0.000 0.406 424 W C 0.111 176.591 176.519 -0.064 0.000 1.576 424 W CA 0.536 57.847 57.345 -0.056 0.000 0.977 424 W CB -1.352 28.051 29.460 -0.096 0.000 2.771 424 W HN 0.197 nan 8.180 nan 0.000 1.435 425 R N 0.039 120.578 120.500 0.064 0.000 2.603 425 R HA 0.655 4.993 4.340 -0.004 0.000 0.231 425 R C 0.617 176.886 176.300 -0.051 0.000 1.263 425 R CA -1.097 55.020 56.100 0.028 0.000 1.102 425 R CB 0.666 30.986 30.300 0.034 0.000 1.527 425 R HN 0.094 nan 8.270 nan 0.000 0.554 426 M N 1.316 120.853 119.600 -0.105 0.000 2.233 426 M HA 0.146 4.623 4.480 -0.004 0.000 0.355 426 M C 0.136 176.054 176.300 -0.637 0.000 1.191 426 M CA 0.069 55.186 55.300 -0.304 0.000 1.101 426 M CB 1.138 33.578 32.600 -0.266 0.000 1.592 426 M HN 0.411 nan 8.290 nan 0.000 0.461 427 K N 3.161 123.058 120.400 -0.837 0.000 1.991 427 K HA 0.299 4.617 4.320 -0.004 0.000 0.208 427 K C 0.468 176.714 176.600 -0.590 0.000 1.038 427 K CA 1.061 56.724 56.287 -1.040 0.000 0.943 427 K CB 0.056 31.978 32.500 -0.964 0.000 0.736 427 K HN 0.793 nan 8.250 nan 0.000 0.440 428 A N 0.592 123.061 122.820 -0.585 0.000 2.588 428 A HA 0.467 4.785 4.320 -0.004 0.000 0.309 428 A C -1.722 175.604 177.584 -0.431 0.000 1.173 428 A CA -0.770 51.044 52.037 -0.372 0.000 0.631 428 A CB 1.095 19.974 19.000 -0.202 0.000 1.364 428 A HN 0.299 nan 8.150 nan 0.000 0.526 429 E N -1.758 118.341 120.200 -0.170 0.000 2.417 429 E HA 0.555 4.902 4.350 -0.004 0.000 0.280 429 E C -1.460 175.249 176.600 0.180 0.000 1.112 429 E CA -0.690 55.650 56.400 -0.099 0.000 0.863 429 E CB 1.420 30.994 29.700 -0.211 0.000 1.346 429 E HN 1.878 nan 8.360 nan 0.000 0.443 430 V N -1.705 118.316 119.914 0.179 0.000 2.752 430 V HA 0.584 4.702 4.120 -0.004 0.000 0.302 430 V C 0.200 176.294 176.094 -0.001 0.000 1.133 430 V CA -0.217 62.157 62.300 0.124 0.000 0.919 430 V CB 0.740 32.670 31.823 0.178 0.000 1.026 430 V HN 0.988 nan 8.190 nan 0.000 0.429 431 T N 2.413 116.904 114.554 -0.105 0.000 2.680 431 T HA 0.532 4.879 4.350 -0.004 0.000 0.314 431 T C 0.852 175.387 174.700 -0.275 0.000 1.045 431 T CA 0.435 62.453 62.100 -0.137 0.000 1.025 431 T CB 0.597 69.425 68.868 -0.067 0.000 1.000 431 T HN 1.714 nan 8.240 nan 0.000 0.535 432 G N -1.208 107.468 108.800 -0.208 0.000 2.588 432 G HA2 0.423 4.380 3.960 -0.004 0.000 0.281 432 G HA3 0.423 4.380 3.960 -0.004 0.000 0.281 432 G C 0.775 175.435 174.900 -0.401 0.000 1.236 432 G CA 0.005 44.850 45.100 -0.424 0.000 0.969 432 G HN 0.859 nan 8.290 nan 0.000 0.504 433 T N -2.045 112.236 114.554 -0.455 0.000 3.039 433 T HA 0.173 4.521 4.350 -0.004 0.000 0.250 433 T C 0.758 175.386 174.700 -0.120 0.000 1.052 433 T CA 0.994 62.898 62.100 -0.327 0.000 1.125 433 T CB -0.243 68.340 68.868 -0.475 0.000 0.908 433 T HN 0.558 nan 8.240 nan 0.000 0.473 434 Q N 0.169 119.937 119.800 -0.052 0.000 2.456 434 Q HA 0.462 4.800 4.340 -0.004 0.000 0.284 434 Q C -1.443 174.620 176.000 0.104 0.000 1.061 434 Q CA -0.862 54.995 55.803 0.090 0.000 0.799 434 Q CB 2.064 30.981 28.738 0.299 0.000 1.445 434 Q HN 0.415 nan 8.270 nan 0.000 0.411 435 I N 2.514 123.141 120.570 0.095 0.000 2.533 435 I HA 0.258 4.426 4.170 -0.004 0.000 0.284 435 I C 0.972 177.183 176.117 0.156 0.000 1.109 435 I CA 1.916 63.282 61.300 0.109 0.000 1.412 435 I CB 0.149 38.195 38.000 0.075 0.000 1.396 435 I HN 1.030 nan 8.210 nan 0.000 0.543 436 G N 4.097 113.005 108.800 0.180 0.000 2.234 436 G HA2 -0.399 3.559 3.960 -0.004 0.000 0.260 436 G HA3 -0.399 3.559 3.960 -0.004 0.000 0.260 436 G C 1.086 176.182 174.900 0.327 0.000 0.987 436 G CA 0.821 46.059 45.100 0.231 0.000 0.625 436 G HN 0.936 nan 8.290 nan 0.000 0.532 437 S N -1.036 114.857 115.700 0.321 0.000 2.402 437 S HA -0.161 4.307 4.470 -0.004 0.000 0.233 437 S C 1.304 176.157 174.600 0.422 0.000 1.030 437 S CA 1.864 60.302 58.200 0.395 0.000 1.003 437 S CB -0.307 63.051 63.200 0.263 0.000 0.813 437 S HN 1.878 nan 8.310 nan 0.000 0.477 438 Y N -0.858 119.553 120.300 0.186 0.000 3.994 438 Y HA -0.217 4.331 4.550 -0.004 0.000 0.236 438 Y C -0.111 175.843 175.900 0.090 0.000 1.272 438 Y CA 0.015 58.194 58.100 0.132 0.000 1.940 438 Y CB -2.143 36.413 38.460 0.159 0.000 1.599 438 Y HN 0.472 nan 8.280 nan 0.000 0.686 439 F N 1.594 121.556 119.950 0.021 0.000 2.504 439 F HA 0.399 4.923 4.527 -0.005 0.000 0.365 439 F C 1.116 176.892 175.800 -0.040 0.000 1.140 439 F CA 1.802 59.783 58.000 -0.031 0.000 1.077 439 F CB 0.173 39.121 39.000 -0.088 0.000 1.106 439 F HN 0.336 nan 8.300 nan 0.000 0.578 440 G N 3.185 111.758 108.800 -0.379 0.000 3.254 440 G HA2 -0.090 3.867 3.960 -0.004 0.000 0.219 440 G HA3 -0.090 3.867 3.960 -0.004 0.000 0.219 440 G C 1.079 175.923 174.900 -0.094 0.000 0.964 440 G CA 0.006 44.936 45.100 -0.283 0.000 0.823 440 G HN 0.994 nan 8.290 nan 0.000 0.579 441 A N 0.690 123.531 122.820 0.034 0.000 1.863 441 A HA 0.220 4.538 4.320 -0.004 0.000 0.218 441 A C 1.607 179.271 177.584 0.133 0.000 1.233 441 A CA 2.508 54.643 52.037 0.163 0.000 0.655 441 A CB -0.674 18.417 19.000 0.152 0.000 0.839 441 A HN 1.104 nan 8.150 nan 0.000 0.454 442 S N -1.877 113.827 115.700 0.007 0.000 2.578 442 S HA 0.732 5.200 4.470 -0.004 0.000 0.301 442 S C -0.964 173.599 174.600 -0.062 0.000 1.091 442 S CA -0.438 57.758 58.200 -0.008 0.000 1.032 442 S CB 1.565 64.732 63.200 -0.055 0.000 1.064 442 S HN 0.334 nan 8.310 nan 0.000 0.508 443 L N 1.131 122.335 121.223 -0.033 0.000 2.472 443 L HA 0.622 4.960 4.340 -0.004 0.000 0.260 443 L C -1.276 175.582 176.870 -0.021 0.000 0.963 443 L CA -0.281 54.533 54.840 -0.044 0.000 0.829 443 L CB 2.138 44.178 42.059 -0.031 0.000 1.348 443 L HN 0.841 nan 8.230 nan 0.000 0.408 444 C N 1.950 121.237 119.300 -0.022 0.000 2.620 444 C HA 0.662 5.120 4.460 -0.004 0.000 0.356 444 C C -0.200 174.794 174.990 0.007 0.000 1.082 444 C CA -0.663 58.352 59.018 -0.006 0.000 1.293 444 C CB 0.594 28.324 27.740 -0.016 0.000 1.836 444 C HN 0.861 nan 8.230 nan 0.000 0.453 445 S N 4.903 120.614 115.700 0.020 0.000 2.455 445 S HA 0.593 5.060 4.470 -0.004 0.000 0.278 445 S C -0.300 174.322 174.600 0.036 0.000 1.216 445 S CA -0.413 57.805 58.200 0.030 0.000 1.055 445 S CB 1.165 64.385 63.200 0.033 0.000 0.939 445 S HN 1.090 nan 8.310 nan 0.000 0.494 446 V N 1.890 121.827 119.914 0.038 0.000 3.113 446 V HA 0.587 4.704 4.120 -0.004 0.000 0.316 446 V C -1.285 174.842 176.094 0.055 0.000 1.125 446 V CA -0.877 61.449 62.300 0.043 0.000 1.026 446 V CB 2.234 34.079 31.823 0.036 0.000 1.080 446 V HN 1.007 nan 8.190 nan 0.000 0.444 447 D N 2.674 123.109 120.400 0.059 0.000 2.404 447 D HA 0.148 4.786 4.640 -0.004 0.000 0.267 447 D C 0.791 177.133 176.300 0.071 0.000 1.194 447 D CA 0.002 54.042 54.000 0.066 0.000 0.910 447 D CB 1.540 42.377 40.800 0.062 0.000 1.090 447 D HN 0.323 nan 8.370 nan 0.000 0.511 448 V N 3.452 123.411 119.914 0.075 0.000 2.363 448 V HA -0.296 3.822 4.120 -0.004 0.000 0.254 448 V C 0.824 176.969 176.094 0.085 0.000 1.074 448 V CA 2.915 65.265 62.300 0.084 0.000 1.069 448 V CB -0.056 31.817 31.823 0.083 0.000 0.659 448 V HN 0.684 nan 8.190 nan 0.000 0.455 449 D N -1.768 118.678 120.400 0.078 0.000 2.540 449 D HA 0.276 4.913 4.640 -0.004 0.000 0.229 449 D C 0.498 176.837 176.300 0.065 0.000 1.258 449 D CA 0.429 54.472 54.000 0.073 0.000 1.158 449 D CB 0.598 41.440 40.800 0.069 0.000 1.178 449 D HN 0.132 nan 8.370 nan 0.000 0.541 450 S N -0.996 114.737 115.700 0.055 0.000 3.078 450 S HA 0.113 4.581 4.470 -0.004 0.000 0.248 450 S C -0.240 174.380 174.600 0.034 0.000 0.857 450 S CA -0.243 57.984 58.200 0.045 0.000 1.139 450 S CB 0.034 63.259 63.200 0.042 0.000 1.186 450 S HN 0.524 nan 8.310 nan 0.000 0.567 451 D N 1.313 121.735 120.400 0.037 0.000 2.363 451 D HA 0.152 4.790 4.640 -0.004 0.000 0.226 451 D C 1.483 177.789 176.300 0.010 0.000 1.020 451 D CA 0.964 54.977 54.000 0.022 0.000 0.892 451 D CB -0.438 40.379 40.800 0.028 0.000 0.900 451 D HN 0.474 nan 8.370 nan 0.000 0.531 452 G N -0.433 108.381 108.800 0.024 0.000 2.205 452 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.261 452 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.261 452 G C 0.271 175.189 174.900 0.030 0.000 0.980 452 G CA 0.315 45.425 45.100 0.018 0.000 0.632 452 G HN 0.407 nan 8.290 nan 0.000 0.533 453 S N 1.896 117.627 115.700 0.052 0.000 2.512 453 S HA 0.507 4.974 4.470 -0.004 0.000 0.291 453 S C 0.497 175.216 174.600 0.198 0.000 1.151 453 S CA 0.112 58.385 58.200 0.122 0.000 1.120 453 S CB 1.127 64.377 63.200 0.084 0.000 1.029 453 S HN 0.510 nan 8.310 nan 0.000 0.485 454 T N 3.711 118.364 114.554 0.165 0.000 2.367 454 T HA -0.120 4.227 4.350 -0.004 0.000 0.207 454 T C 0.704 175.484 174.700 0.134 0.000 1.065 454 T CA 0.715 62.893 62.100 0.129 0.000 1.252 454 T CB -0.067 68.865 68.868 0.107 0.000 1.023 454 T HN 0.471 nan 8.240 nan 0.000 0.462 455 D N 1.572 122.034 120.400 0.102 0.000 2.259 455 D HA 0.204 4.841 4.640 -0.004 0.000 0.216 455 D C 0.750 177.083 176.300 0.055 0.000 0.961 455 D CA 0.750 54.803 54.000 0.088 0.000 0.878 455 D CB 0.208 41.059 40.800 0.084 0.000 1.009 455 D HN 0.587 nan 8.370 nan 0.000 0.490 456 L N -2.941 118.314 121.223 0.053 0.000 2.389 456 L HA 0.758 5.095 4.340 -0.004 0.000 0.249 456 L C -1.027 175.874 176.870 0.052 0.000 1.083 456 L CA -1.106 53.760 54.840 0.043 0.000 0.876 456 L CB 2.038 44.113 42.059 0.027 0.000 1.489 456 L HN -0.361 nan 8.230 nan 0.000 0.412 457 V N 1.134 121.083 119.914 0.059 0.000 2.668 457 V HA 0.507 4.625 4.120 -0.004 0.000 0.304 457 V C -0.423 175.692 176.094 0.036 0.000 1.071 457 V CA -0.323 62.015 62.300 0.063 0.000 0.894 457 V CB 1.829 33.727 31.823 0.126 0.000 1.008 457 V HN 0.696 nan 8.190 nan 0.000 0.425 458 L N 5.130 126.351 121.223 -0.003 0.000 2.399 458 L HA 0.677 5.014 4.340 -0.004 0.000 0.265 458 L C -0.576 176.248 176.870 -0.077 0.000 1.089 458 L CA -0.470 54.344 54.840 -0.044 0.000 0.802 458 L CB 1.562 43.577 42.059 -0.074 0.000 1.180 458 L HN 0.450 nan 8.230 nan 0.000 0.454 459 I N -0.057 120.436 120.570 -0.129 0.000 2.865 459 I HA 0.535 4.703 4.170 -0.004 0.000 0.302 459 I C -0.081 175.878 176.117 -0.264 0.000 1.140 459 I CA -0.568 60.578 61.300 -0.257 0.000 1.021 459 I CB 2.367 40.080 38.000 -0.479 0.000 1.233 459 I HN 0.606 nan 8.210 nan 0.000 0.427 460 G N 2.431 111.062 108.800 -0.282 0.000 2.420 460 G HA2 0.751 4.708 3.960 -0.004 0.000 0.331 460 G HA3 0.751 4.708 3.960 -0.004 0.000 0.331 460 G C -0.904 173.911 174.900 -0.143 0.000 1.168 460 G CA -0.557 44.420 45.100 -0.204 0.000 0.936 460 G HN 0.809 nan 8.290 nan 0.000 0.479 461 A N 2.678 125.454 122.820 -0.073 0.000 3.411 461 A HA 0.610 4.928 4.320 -0.004 0.000 0.238 461 A C -1.952 175.648 177.584 0.027 0.000 1.140 461 A CA -0.567 51.501 52.037 0.051 0.000 0.980 461 A CB 1.031 20.103 19.000 0.119 0.000 1.371 461 A HN 0.350 nan 8.150 nan 0.000 0.700 462 P HA -0.161 nan 4.420 nan 0.000 0.218 462 P C 0.277 177.424 177.300 -0.254 0.000 1.146 462 P CA 1.422 64.339 63.100 -0.305 0.000 0.820 462 P CB -0.065 31.252 31.700 -0.638 0.000 0.778 463 H N -2.266 116.893 119.070 0.148 0.000 2.432 463 H HA 0.310 4.864 4.556 -0.004 0.000 0.226 463 H C -0.605 174.942 175.328 0.365 0.000 1.634 463 H CA -0.507 55.655 56.048 0.190 0.000 1.253 463 H CB -0.526 29.292 29.762 0.094 0.000 1.584 463 H HN 0.170 nan 8.280 nan 0.000 0.545 464 Y N 2.314 122.808 120.300 0.324 0.000 2.609 464 Y HA 0.489 5.035 4.550 -0.006 0.000 0.342 464 Y C -1.486 174.683 175.900 0.447 0.000 1.058 464 Y CA -1.399 56.896 58.100 0.326 0.000 1.055 464 Y CB 1.651 40.227 38.460 0.192 0.000 1.292 464 Y HN 0.284 nan 8.280 nan 0.000 0.476 465 Y N 0.496 120.235 120.300 -0.934 0.000 3.045 465 Y HA 0.395 4.943 4.550 -0.005 0.000 0.387 465 Y C -0.602 174.921 175.900 -0.629 0.000 1.306 465 Y CA -0.639 57.072 58.100 -0.649 0.000 1.121 465 Y CB 0.421 38.774 38.460 -0.178 0.000 2.062 465 Y HN 0.564 nan 8.280 nan 0.000 0.416 466 E N -1.659 118.389 120.200 -0.254 0.000 2.662 466 E HA 0.180 4.528 4.350 -0.004 0.000 0.205 466 E C 0.336 176.976 176.600 0.067 0.000 1.003 466 E CA 0.139 56.402 56.400 -0.228 0.000 1.685 466 E CB 0.276 29.881 29.700 -0.160 0.000 2.386 466 E HN 0.464 nan 8.360 nan 0.000 1.092 467 Q N 0.313 120.198 119.800 0.141 0.000 2.427 467 Q HA 0.244 4.582 4.340 -0.004 0.000 0.249 467 Q C -0.084 175.976 176.000 0.100 0.000 0.783 467 Q CA 0.938 56.817 55.803 0.125 0.000 0.978 467 Q CB 1.949 30.723 28.738 0.061 0.000 1.273 467 Q HN 0.084 nan 8.270 nan 0.000 0.524 468 T N 1.729 116.342 114.554 0.099 0.000 2.812 468 T HA 0.430 4.777 4.350 -0.004 0.000 0.282 468 T C 0.104 174.860 174.700 0.094 0.000 0.990 468 T CA -0.414 61.715 62.100 0.049 0.000 0.960 468 T CB 1.568 70.464 68.868 0.046 0.000 0.948 468 T HN -0.039 nan 8.240 nan 0.000 0.438 469 R N 2.049 122.568 120.500 0.032 0.000 4.031 469 R HA 0.209 4.547 4.340 -0.004 0.000 0.269 469 R C 1.852 178.273 176.300 0.202 0.000 1.668 469 R CA -0.303 55.866 56.100 0.114 0.000 1.432 469 R CB -0.269 30.049 30.300 0.030 0.000 1.374 469 R HN 0.866 nan 8.270 nan 0.000 0.681 470 G N 0.075 108.992 108.800 0.194 0.000 2.418 470 G HA2 0.026 3.983 3.960 -0.004 0.000 0.217 470 G HA3 0.026 3.983 3.960 -0.004 0.000 0.217 470 G C 0.666 175.754 174.900 0.314 0.000 1.158 470 G CA 0.805 46.046 45.100 0.236 0.000 0.771 470 G HN 0.615 nan 8.290 nan 0.000 0.545 471 G N -2.041 106.963 108.800 0.340 0.000 2.346 471 G HA2 0.425 4.382 3.960 -0.004 0.000 0.294 471 G HA3 0.425 4.382 3.960 -0.004 0.000 0.294 471 G C -1.743 173.428 174.900 0.451 0.000 1.294 471 G CA 0.035 45.358 45.100 0.372 0.000 0.962 471 G HN 0.740 nan 8.290 nan 0.000 0.508 472 Q N -0.959 119.041 119.800 0.332 0.000 2.380 472 Q HA 0.577 4.915 4.340 -0.004 0.000 0.245 472 Q C -1.261 174.769 176.000 0.050 0.000 0.893 472 Q CA -0.507 55.475 55.803 0.299 0.000 0.922 472 Q CB 1.903 30.859 28.738 0.362 0.000 1.432 472 Q HN 1.122 nan 8.270 nan 0.000 0.434 473 V N 2.209 122.127 119.914 0.005 0.000 2.581 473 V HA 0.842 4.960 4.120 -0.004 0.000 0.303 473 V C -0.483 175.637 176.094 0.042 0.000 1.041 473 V CA -0.654 61.576 62.300 -0.117 0.000 0.907 473 V CB 1.986 33.605 31.823 -0.340 0.000 0.994 473 V HN 0.733 nan 8.190 nan 0.000 0.442 474 S N 2.990 118.706 115.700 0.028 0.000 2.605 474 S HA 0.518 4.986 4.470 -0.004 0.000 0.308 474 S C -0.950 173.684 174.600 0.057 0.000 1.113 474 S CA -0.475 57.798 58.200 0.121 0.000 1.049 474 S CB 1.520 64.882 63.200 0.271 0.000 1.001 474 S HN 0.709 nan 8.310 nan 0.000 0.480 475 V N 6.139 126.088 119.914 0.057 0.000 2.461 475 V HA 0.575 4.692 4.120 -0.004 0.000 0.275 475 V C -0.759 175.323 176.094 -0.021 0.000 1.047 475 V CA -0.100 62.208 62.300 0.013 0.000 0.955 475 V CB 0.139 31.972 31.823 0.016 0.000 0.988 475 V HN 1.064 nan 8.190 nan 0.000 0.471 476 c N 8.057 126.621 118.600 -0.059 0.000 2.949 476 c HA 0.426 4.993 4.570 -0.004 0.000 0.306 476 c C -2.341 171.650 174.090 -0.164 0.000 1.045 476 c CA -1.133 55.063 56.329 -0.221 0.000 1.414 476 c CB 0.662 43.011 42.510 -0.268 0.000 1.854 476 c HN 0.746 nan 8.230 nan 0.000 0.487 477 P HA 0.083 nan 4.420 nan 0.000 0.273 477 P C -0.263 177.018 177.300 -0.033 0.000 1.258 477 P CA -0.268 62.754 63.100 -0.130 0.000 0.802 477 P CB 0.506 32.105 31.700 -0.168 0.000 1.040 478 L N 1.213 122.454 121.223 0.029 0.000 2.709 478 L HA 0.449 4.787 4.340 -0.004 0.000 0.236 478 L C -2.419 174.417 176.870 -0.057 0.000 1.266 478 L CA -2.404 52.508 54.840 0.120 0.000 0.987 478 L CB -0.502 41.550 42.059 -0.012 0.000 1.306 478 L HN 0.138 nan 8.230 nan 0.000 0.467 479 P HA 0.059 nan 4.420 nan 0.000 0.263 479 P C -0.717 176.521 177.300 -0.104 0.000 1.175 479 P CA 0.178 63.175 63.100 -0.172 0.000 0.761 479 P CB 0.355 31.777 31.700 -0.463 0.000 0.794 480 R N 2.186 122.613 120.500 -0.121 0.000 2.407 480 R HA 0.654 4.992 4.340 -0.004 0.000 0.303 480 R C -0.263 176.026 176.300 -0.019 0.000 0.981 480 R CA 0.008 56.022 56.100 -0.144 0.000 0.905 480 R CB 0.472 30.572 30.300 -0.334 0.000 1.099 480 R HN 0.697 nan 8.270 nan 0.000 0.459 481 G N 4.062 112.887 108.800 0.042 0.000 2.551 481 G HA2 -0.086 3.872 3.960 -0.004 0.000 0.604 481 G HA3 -0.086 3.872 3.960 -0.004 0.000 0.604 481 G C -0.941 174.074 174.900 0.191 0.000 1.116 481 G CA -0.714 44.411 45.100 0.041 0.000 1.285 481 G HN 0.367 nan 8.290 nan 0.000 0.586 482 W N 1.761 123.031 121.300 -0.050 0.000 2.055 482 W HA 0.448 5.105 4.660 -0.004 0.000 0.356 482 W C 1.780 178.302 176.519 0.005 0.000 1.331 482 W CA 0.216 57.529 57.345 -0.055 0.000 1.364 482 W CB -0.165 29.249 29.460 -0.076 0.000 1.274 482 W HN 0.897 nan 8.180 nan 0.000 0.645 483 R N -1.270 119.381 120.500 0.252 0.000 3.922 483 R HA -0.239 4.099 4.340 -0.004 0.000 0.447 483 R C 0.310 176.727 176.300 0.195 0.000 1.035 483 R CA 1.477 57.684 56.100 0.177 0.000 1.289 483 R CB -1.163 29.236 30.300 0.165 0.000 1.906 483 R HN 0.497 nan 8.270 nan 0.000 0.540 484 R N -0.144 120.506 120.500 0.249 0.000 2.533 484 R HA 0.411 4.748 4.340 -0.004 0.000 0.288 484 R C -2.043 174.516 176.300 0.432 0.000 1.039 484 R CA -0.608 55.699 56.100 0.346 0.000 0.909 484 R CB 1.398 31.922 30.300 0.373 0.000 1.195 484 R HN 0.116 nan 8.270 nan 0.000 0.438 485 W N 6.352 127.782 121.300 0.216 0.000 4.150 485 W HA 0.327 4.984 4.660 -0.006 0.000 0.264 485 W C -2.365 174.216 176.519 0.103 0.000 1.296 485 W CA -0.699 56.584 57.345 -0.104 0.000 1.270 485 W CB 0.782 30.121 29.460 -0.201 0.000 1.214 485 W HN 0.580 nan 8.180 nan 0.000 0.538 486 W N 4.863 125.755 121.300 -0.679 0.000 2.619 486 W HA 0.599 5.256 4.660 -0.006 0.000 0.327 486 W C -0.358 175.645 176.519 -0.860 0.000 1.027 486 W CA -1.172 55.821 57.345 -0.587 0.000 1.233 486 W CB 0.563 29.837 29.460 -0.311 0.000 1.370 486 W HN 0.324 nan 8.180 nan 0.000 0.453 487 c N 2.161 120.388 118.600 -0.621 0.000 2.485 487 c HA -0.087 4.481 4.570 -0.004 0.000 0.283 487 c C 0.802 174.810 174.090 -0.136 0.000 1.478 487 c CA 0.888 56.958 56.329 -0.432 0.000 1.741 487 c CB -1.986 40.419 42.510 -0.175 0.000 1.675 487 c HN 0.731 nan 8.230 nan 0.000 0.573 488 D N 0.176 120.580 120.400 0.007 0.000 2.634 488 D HA 0.370 5.007 4.640 -0.004 0.000 0.318 488 D C 0.281 176.743 176.300 0.270 0.000 1.226 488 D CA -0.083 53.983 54.000 0.109 0.000 0.899 488 D CB 0.193 41.026 40.800 0.054 0.000 1.025 488 D HN 0.240 nan 8.370 nan 0.000 0.501 489 A N 2.244 125.238 122.820 0.290 0.000 3.063 489 A HA 0.491 4.808 4.320 -0.004 0.000 0.263 489 A C 1.370 179.020 177.584 0.110 0.000 1.736 489 A CA -0.206 51.970 52.037 0.232 0.000 1.408 489 A CB -0.785 18.339 19.000 0.205 0.000 1.108 489 A HN 0.458 nan 8.150 nan 0.000 0.621 490 V N -0.512 119.455 119.914 0.088 0.000 0.683 490 V HA -0.395 3.722 4.120 -0.004 0.000 0.092 490 V C 1.223 177.384 176.094 0.111 0.000 0.907 490 V CA 2.205 64.548 62.300 0.072 0.000 3.123 490 V CB -2.087 29.756 31.823 0.035 0.000 0.264 490 V HN 1.300 nan 8.190 nan 0.000 0.215 491 L N 0.470 121.733 121.223 0.066 0.000 2.543 491 L HA 0.752 5.090 4.340 -0.004 0.000 0.231 491 L C -0.369 176.581 176.870 0.132 0.000 1.194 491 L CA 0.033 54.867 54.840 -0.011 0.000 0.823 491 L CB 0.461 42.485 42.059 -0.059 0.000 1.374 491 L HN 0.990 nan 8.230 nan 0.000 0.507 492 Y N -2.509 117.830 120.300 0.065 0.000 2.262 492 Y HA 0.672 5.221 4.550 -0.002 0.000 0.317 492 Y C -0.252 175.716 175.900 0.114 0.000 1.230 492 Y CA -1.130 57.011 58.100 0.069 0.000 1.166 492 Y CB -0.106 38.401 38.460 0.080 0.000 1.254 492 Y HN 0.923 nan 8.280 nan 0.000 0.405 493 G N 2.360 111.265 108.800 0.174 0.000 2.503 493 G HA2 0.564 4.521 3.960 -0.004 0.000 0.257 493 G HA3 0.564 4.521 3.960 -0.004 0.000 0.257 493 G C -0.554 174.605 174.900 0.431 0.000 1.214 493 G CA -0.194 45.041 45.100 0.224 0.000 0.839 493 G HN 0.817 nan 8.290 nan 0.000 0.559 494 E N -0.607 119.731 120.200 0.231 0.000 2.429 494 E HA 0.559 4.906 4.350 -0.004 0.000 0.141 494 E C -0.976 175.354 176.600 -0.450 0.000 1.003 494 E CA -0.729 55.712 56.400 0.070 0.000 0.817 494 E CB 1.178 31.012 29.700 0.223 0.000 2.152 494 E HN 0.400 nan 8.360 nan 0.000 0.442 495 Q N -0.804 118.880 119.800 -0.194 0.000 2.791 495 Q HA 0.380 4.717 4.340 -0.004 0.000 0.280 495 Q C -1.688 174.334 176.000 0.037 0.000 0.928 495 Q CA 0.020 55.733 55.803 -0.149 0.000 0.819 495 Q CB 1.587 30.148 28.738 -0.294 0.000 1.552 495 Q HN 0.583 nan 8.270 nan 0.000 0.410 496 G N 1.450 110.303 108.800 0.088 0.000 3.717 496 G HA2 0.417 4.374 3.960 -0.004 0.000 0.258 496 G HA3 0.417 4.374 3.960 -0.004 0.000 0.258 496 G C -0.987 174.018 174.900 0.174 0.000 1.088 496 G CA 0.294 45.460 45.100 0.110 0.000 1.737 496 G HN 0.546 nan 8.290 nan 0.000 0.648 497 H N 0.401 119.510 119.070 0.064 0.000 3.275 497 H HA 0.391 4.945 4.556 -0.004 0.000 0.326 497 H C -2.737 172.652 175.328 0.100 0.000 1.096 497 H CA -1.092 55.002 56.048 0.076 0.000 1.579 497 H CB 2.218 32.039 29.762 0.098 0.000 1.834 497 H HN 0.116 nan 8.280 nan 0.000 0.510 498 P HA -0.114 nan 4.420 nan 0.000 0.270 498 P C -0.297 177.038 177.300 0.058 0.000 1.221 498 P CA 0.217 63.249 63.100 -0.114 0.000 0.788 498 P CB 0.371 31.897 31.700 -0.290 0.000 0.904 499 W N 0.279 121.553 121.300 -0.042 0.000 6.351 499 W HA -0.119 4.538 4.660 -0.005 0.000 0.403 499 W C 1.261 177.859 176.519 0.130 0.000 1.540 499 W CA 1.277 58.639 57.345 0.029 0.000 1.055 499 W CB -2.437 27.017 29.460 -0.010 0.000 2.721 499 W HN 0.565 nan 8.180 nan 0.000 1.542 500 G N -0.882 108.139 108.800 0.369 0.000 2.833 500 G HA2 0.101 4.058 3.960 -0.004 0.000 0.210 500 G HA3 0.101 4.058 3.960 -0.004 0.000 0.210 500 G C 0.915 175.984 174.900 0.283 0.000 1.139 500 G CA 0.044 45.370 45.100 0.377 0.000 0.771 500 G HN 0.240 nan 8.290 nan 0.000 0.535 501 R N -0.842 119.782 120.500 0.206 0.000 3.205 501 R HA -0.196 4.141 4.340 -0.004 0.000 0.249 501 R C -0.765 175.627 176.300 0.155 0.000 0.937 501 R CA 0.234 56.377 56.100 0.071 0.000 0.641 501 R CB -2.162 28.147 30.300 0.016 0.000 1.114 501 R HN 0.430 nan 8.270 nan 0.000 0.451 502 F N 0.543 120.532 119.950 0.065 0.000 2.404 502 F HA 0.426 4.951 4.527 -0.005 0.000 0.358 502 F C 1.238 177.053 175.800 0.023 0.000 1.120 502 F CA 0.988 59.039 58.000 0.085 0.000 1.144 502 F CB 1.126 40.183 39.000 0.094 0.000 1.133 502 F HN 0.372 nan 8.300 nan 0.000 0.495 503 G N 3.500 111.974 108.800 -0.543 0.000 2.183 503 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.168 503 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.168 503 G C 0.862 175.610 174.900 -0.253 0.000 1.008 503 G CA 0.011 44.801 45.100 -0.518 0.000 0.677 503 G HN 1.145 nan 8.290 nan 0.000 0.498 504 A N -0.476 122.245 122.820 -0.166 0.000 1.948 504 A HA 0.579 4.897 4.320 -0.004 0.000 0.220 504 A C 1.607 179.144 177.584 -0.079 0.000 1.177 504 A CA 2.752 54.722 52.037 -0.111 0.000 0.636 504 A CB -0.198 18.763 19.000 -0.066 0.000 0.815 504 A HN 2.336 nan 8.150 nan 0.000 0.449 505 A N -2.481 120.286 122.820 -0.088 0.000 2.568 505 A HA 0.726 5.043 4.320 -0.004 0.000 0.291 505 A C -1.466 176.071 177.584 -0.079 0.000 1.159 505 A CA -0.096 51.900 52.037 -0.068 0.000 0.679 505 A CB 0.642 19.611 19.000 -0.051 0.000 1.285 505 A HN 1.525 nan 8.150 nan 0.000 0.428 506 L N -3.558 117.633 121.223 -0.055 0.000 3.025 506 L HA 0.821 5.159 4.340 -0.004 0.000 0.240 506 L C -0.665 176.192 176.870 -0.021 0.000 0.985 506 L CA -0.163 54.652 54.840 -0.043 0.000 1.029 506 L CB 1.015 43.026 42.059 -0.079 0.000 1.519 506 L HN 1.219 nan 8.230 nan 0.000 0.422 507 T N -0.205 114.347 114.554 -0.004 0.000 2.894 507 T HA 0.622 4.970 4.350 -0.004 0.000 0.309 507 T C -1.343 173.368 174.700 0.018 0.000 1.208 507 T CA -0.236 61.869 62.100 0.009 0.000 1.016 507 T CB 2.103 70.980 68.868 0.015 0.000 1.192 507 T HN 1.420 nan 8.240 nan 0.000 0.491 508 V N 5.436 125.364 119.914 0.023 0.000 2.585 508 V HA 0.309 4.426 4.120 -0.004 0.000 0.296 508 V C 0.735 176.849 176.094 0.033 0.000 1.035 508 V CA 0.296 62.614 62.300 0.031 0.000 1.084 508 V CB 0.815 32.658 31.823 0.033 0.000 0.953 508 V HN 0.857 nan 8.190 nan 0.000 0.483 509 L N 7.099 128.345 121.223 0.038 0.000 2.500 509 L HA 0.669 5.006 4.340 -0.004 0.000 0.219 509 L C 1.010 177.901 176.870 0.036 0.000 1.057 509 L CA 1.810 56.671 54.840 0.035 0.000 0.854 509 L CB -0.395 41.686 42.059 0.037 0.000 1.078 509 L HN 1.202 nan 8.230 nan 0.000 0.480 510 G N -0.204 108.623 108.800 0.045 0.000 2.545 510 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.216 510 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.216 510 G C -0.908 174.028 174.900 0.059 0.000 1.314 510 G CA -0.052 45.077 45.100 0.049 0.000 0.906 510 G HN 0.319 nan 8.290 nan 0.000 0.563 511 D N 0.913 121.347 120.400 0.057 0.000 2.352 511 D HA 0.367 5.004 4.640 -0.004 0.000 0.245 511 D C 1.684 178.015 176.300 0.053 0.000 1.224 511 D CA 0.469 54.510 54.000 0.068 0.000 0.879 511 D CB 1.103 41.944 40.800 0.070 0.000 1.057 511 D HN 1.067 nan 8.370 nan 0.000 0.491 512 V N 2.195 122.137 119.914 0.047 0.000 3.151 512 V HA 0.099 4.216 4.120 -0.004 0.000 0.241 512 V C 1.379 177.473 176.094 -0.001 0.000 1.173 512 V CA 0.621 62.927 62.300 0.010 0.000 1.154 512 V CB -0.364 31.446 31.823 -0.021 0.000 0.898 512 V HN 0.471 nan 8.190 nan 0.000 0.473 513 N N 1.304 120.003 118.700 -0.002 0.000 2.280 513 N HA 0.287 5.024 4.740 -0.004 0.000 0.192 513 N C 1.484 177.161 175.510 0.278 0.000 1.109 513 N CA 0.781 53.852 53.050 0.036 0.000 0.855 513 N CB 0.442 38.823 38.487 -0.176 0.000 0.974 513 N HN 0.969 nan 8.380 nan 0.000 0.482 514 G N 1.093 110.026 108.800 0.222 0.000 2.148 514 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.254 514 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.254 514 G C -0.091 175.044 174.900 0.392 0.000 0.981 514 G CA 0.420 45.683 45.100 0.271 0.000 0.670 514 G HN 0.669 nan 8.290 nan 0.000 0.528 515 D N -0.003 120.586 120.400 0.314 0.000 2.434 515 D HA 0.287 4.924 4.640 -0.004 0.000 0.232 515 D C 1.355 177.758 176.300 0.171 0.000 1.166 515 D CA -0.162 53.992 54.000 0.257 0.000 0.830 515 D CB 0.011 40.866 40.800 0.091 0.000 0.960 515 D HN 0.282 nan 8.370 nan 0.000 0.497 516 K N -0.575 119.919 120.400 0.156 0.000 3.426 516 K HA -0.189 4.128 4.320 -0.004 0.000 0.315 516 K C -0.409 176.255 176.600 0.106 0.000 1.293 516 K CA 0.526 56.882 56.287 0.115 0.000 0.955 516 K CB -1.971 30.592 32.500 0.105 0.000 1.238 516 K HN 0.431 nan 8.250 nan 0.000 0.441 517 L N 1.919 123.212 121.223 0.117 0.000 2.324 517 L HA 0.187 4.525 4.340 -0.004 0.000 0.274 517 L C 0.824 177.776 176.870 0.136 0.000 1.012 517 L CA -0.402 54.511 54.840 0.121 0.000 0.859 517 L CB 1.717 43.851 42.059 0.127 0.000 1.224 517 L HN -0.041 nan 8.230 nan 0.000 0.429 518 T N 1.863 116.485 114.554 0.115 0.000 2.906 518 T HA -0.017 4.330 4.350 -0.004 0.000 0.329 518 T C -0.350 174.429 174.700 0.132 0.000 1.091 518 T CA 0.372 62.536 62.100 0.107 0.000 1.127 518 T CB 0.100 69.018 68.868 0.085 0.000 1.035 518 T HN 0.487 nan 8.240 nan 0.000 0.547 519 D N 1.635 122.102 120.400 0.112 0.000 2.671 519 D HA 0.530 5.167 4.640 -0.004 0.000 0.232 519 D C -0.373 175.964 176.300 0.060 0.000 1.114 519 D CA -0.325 53.731 54.000 0.093 0.000 0.858 519 D CB 1.895 42.752 40.800 0.096 0.000 1.544 519 D HN 0.501 nan 8.370 nan 0.000 0.471 520 V N -1.573 118.379 119.914 0.064 0.000 2.960 520 V HA 0.842 4.959 4.120 -0.004 0.000 0.315 520 V C -0.317 175.842 176.094 0.108 0.000 1.087 520 V CA -0.729 61.612 62.300 0.068 0.000 0.982 520 V CB 1.822 33.672 31.823 0.045 0.000 1.039 520 V HN 0.285 nan 8.190 nan 0.000 0.437 521 V N 2.905 122.874 119.914 0.091 0.000 2.715 521 V HA 0.658 4.775 4.120 -0.004 0.000 0.310 521 V C -0.322 175.840 176.094 0.114 0.000 1.054 521 V CA -0.476 61.901 62.300 0.128 0.000 0.928 521 V CB 1.737 33.609 31.823 0.082 0.000 1.007 521 V HN 0.844 nan 8.190 nan 0.000 0.437 522 I N 1.835 122.525 120.570 0.200 0.000 2.607 522 I HA 0.569 4.736 4.170 -0.004 0.000 0.290 522 I C 0.413 176.681 176.117 0.251 0.000 1.129 522 I CA -0.424 60.972 61.300 0.161 0.000 1.042 522 I CB 2.249 40.330 38.000 0.134 0.000 1.242 522 I HN 0.759 nan 8.210 nan 0.000 0.421 523 G N 3.611 112.468 108.800 0.095 0.000 2.477 523 G HA2 0.738 4.695 3.960 -0.004 0.000 0.304 523 G HA3 0.738 4.695 3.960 -0.004 0.000 0.304 523 G C -0.589 174.438 174.900 0.213 0.000 1.175 523 G CA -0.417 44.727 45.100 0.073 0.000 0.907 523 G HN 0.840 nan 8.290 nan 0.000 0.509 524 A N 1.305 124.250 122.820 0.207 0.000 2.913 524 A HA 0.595 4.912 4.320 -0.004 0.000 0.284 524 A C -2.333 175.387 177.584 0.226 0.000 1.273 524 A CA -0.590 51.632 52.037 0.308 0.000 0.899 524 A CB 1.277 20.647 19.000 0.618 0.000 1.444 524 A HN 0.324 nan 8.150 nan 0.000 0.586 525 P HA 0.050 nan 4.420 nan 0.000 0.239 525 P C 1.378 178.823 177.300 0.241 0.000 1.184 525 P CA 1.622 64.856 63.100 0.223 0.000 0.760 525 P CB 0.347 32.169 31.700 0.204 0.000 0.884 526 G N -1.347 107.583 108.800 0.216 0.000 2.986 526 G HA2 -0.013 3.945 3.960 -0.004 0.000 0.213 526 G HA3 -0.013 3.945 3.960 -0.004 0.000 0.213 526 G C 0.584 175.656 174.900 0.287 0.000 1.156 526 G CA -0.073 45.164 45.100 0.228 0.000 0.763 526 G HN 0.113 nan 8.290 nan 0.000 0.547 527 E N 1.117 121.468 120.200 0.252 0.000 2.461 527 E HA 0.095 4.443 4.350 -0.004 0.000 0.263 527 E C 0.772 177.392 176.600 0.034 0.000 1.143 527 E CA 0.153 56.634 56.400 0.134 0.000 0.994 527 E CB 0.442 30.169 29.700 0.045 0.000 0.973 527 E HN 0.517 nan 8.360 nan 0.000 0.457 528 E N 0.038 120.006 120.200 -0.386 0.000 3.675 528 E HA -0.288 4.059 4.350 -0.004 0.000 0.252 528 E C -0.112 176.615 176.600 0.211 0.000 1.502 528 E CA 1.514 57.839 56.400 -0.126 0.000 2.293 528 E CB -0.582 29.075 29.700 -0.071 0.000 2.078 528 E HN 0.702 nan 8.360 nan 0.000 0.461 529 E N 2.272 122.564 120.200 0.153 0.000 1.999 529 E HA 0.075 4.422 4.350 -0.004 0.000 0.296 529 E C 0.310 177.014 176.600 0.172 0.000 1.187 529 E CA 0.540 57.042 56.400 0.170 0.000 1.229 529 E CB 0.079 29.849 29.700 0.117 0.000 1.131 529 E HN 0.574 nan 8.360 nan 0.000 0.478 530 N N 1.337 120.170 118.700 0.220 0.000 2.946 530 N HA -0.219 4.518 4.740 -0.004 0.000 0.228 530 N C -0.431 175.216 175.510 0.229 0.000 0.873 530 N CA 1.213 54.400 53.050 0.227 0.000 1.029 530 N CB -0.566 38.052 38.487 0.217 0.000 1.047 530 N HN 0.413 nan 8.380 nan 0.000 0.612 531 R N 0.571 121.172 120.500 0.168 0.000 2.905 531 R HA 0.328 4.665 4.340 -0.004 0.000 0.273 531 R C 1.271 177.689 176.300 0.197 0.000 1.033 531 R CA 0.797 56.978 56.100 0.135 0.000 1.182 531 R CB -0.649 29.685 30.300 0.057 0.000 1.097 531 R HN 0.321 nan 8.270 nan 0.000 0.504 532 G N -1.115 107.827 108.800 0.236 0.000 2.557 532 G HA2 0.572 4.530 3.960 -0.004 0.000 0.292 532 G HA3 0.572 4.530 3.960 -0.004 0.000 0.292 532 G C -1.051 174.099 174.900 0.417 0.000 1.237 532 G CA 0.131 45.514 45.100 0.472 0.000 0.978 532 G HN 0.684 nan 8.290 nan 0.000 0.498 533 A N -1.933 121.199 122.820 0.519 0.000 2.590 533 A HA 0.635 4.953 4.320 -0.004 0.000 0.294 533 A C -1.398 176.244 177.584 0.097 0.000 1.046 533 A CA -0.355 51.846 52.037 0.273 0.000 0.684 533 A CB 1.145 20.155 19.000 0.017 0.000 1.279 533 A HN 1.511 nan 8.150 nan 0.000 0.415 534 V N 0.416 120.277 119.914 -0.089 0.000 3.147 534 V HA 0.729 4.846 4.120 -0.004 0.000 0.306 534 V C -1.477 174.418 176.094 -0.331 0.000 1.209 534 V CA -0.628 61.608 62.300 -0.105 0.000 1.023 534 V CB 2.112 33.940 31.823 0.007 0.000 1.059 534 V HN 0.920 nan 8.190 nan 0.000 0.435 535 Y N 1.923 122.330 120.300 0.179 0.000 2.576 535 Y HA 0.832 5.380 4.550 -0.004 0.000 0.346 535 Y C -0.670 175.367 175.900 0.229 0.000 1.018 535 Y CA -0.956 57.244 58.100 0.167 0.000 1.050 535 Y CB 2.105 40.772 38.460 0.345 0.000 1.280 535 Y HN 0.508 nan 8.280 nan 0.000 0.474 536 L N 2.378 123.775 121.223 0.289 0.000 2.406 536 L HA 0.693 5.030 4.340 -0.004 0.000 0.272 536 L C -2.028 174.829 176.870 -0.022 0.000 0.980 536 L CA -0.613 54.331 54.840 0.173 0.000 0.831 536 L CB 0.597 42.684 42.059 0.046 0.000 1.253 536 L HN 0.455 nan 8.230 nan 0.000 0.406 537 F N 2.782 122.651 119.950 -0.136 0.000 2.639 537 F HA 0.697 5.222 4.527 -0.004 0.000 0.339 537 F C 0.122 175.645 175.800 -0.462 0.000 1.071 537 F CA -0.650 57.244 58.000 -0.177 0.000 0.994 537 F CB 1.565 40.582 39.000 0.030 0.000 1.341 537 F HN 0.404 nan 8.300 nan 0.000 0.498 538 H N -1.007 118.245 119.070 0.304 0.000 2.895 538 H HA 0.494 5.047 4.556 -0.004 0.000 0.373 538 H C 0.017 175.450 175.328 0.174 0.000 1.174 538 H CA -0.964 55.201 56.048 0.194 0.000 1.144 538 H CB 1.541 31.394 29.762 0.153 0.000 1.793 538 H HN 0.771 nan 8.280 nan 0.000 0.551 539 G N -0.007 108.945 108.800 0.254 0.000 2.553 539 G HA2 0.394 4.352 3.960 -0.004 0.000 0.278 539 G HA3 0.394 4.352 3.960 -0.004 0.000 0.278 539 G C 0.378 175.375 174.900 0.161 0.000 1.349 539 G CA 0.095 45.300 45.100 0.176 0.000 1.037 539 G HN 0.362 nan 8.290 nan 0.000 0.508 540 V N -1.427 118.560 119.914 0.122 0.000 4.771 540 V HA 0.406 4.524 4.120 -0.004 0.000 0.148 540 V C -0.132 176.017 176.094 0.091 0.000 1.138 540 V CA -0.038 62.324 62.300 0.103 0.000 1.282 540 V CB -0.168 31.711 31.823 0.093 0.000 1.742 540 V HN 0.398 nan 8.190 nan 0.000 0.563 541 L N 0.817 122.091 121.223 0.085 0.000 2.620 541 L HA 0.639 4.977 4.340 -0.004 0.000 0.261 541 L C 0.299 177.216 176.870 0.079 0.000 0.978 541 L CA 0.397 55.286 54.840 0.082 0.000 0.897 541 L CB 1.156 43.262 42.059 0.079 0.000 1.207 541 L HN 0.682 nan 8.230 nan 0.000 0.425 542 G N 4.352 113.200 108.800 0.080 0.000 2.509 542 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.259 542 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.259 542 G C -2.702 172.242 174.900 0.073 0.000 1.169 542 G CA -0.431 44.715 45.100 0.077 0.000 0.953 542 G HN 0.399 nan 8.290 nan 0.000 0.563 543 P HA 0.451 nan 4.420 nan 0.000 0.273 543 P C -0.314 177.023 177.300 0.063 0.000 1.428 543 P CA 1.081 64.215 63.100 0.057 0.000 0.995 543 P CB 0.314 32.045 31.700 0.051 0.000 1.286 544 S N 3.420 119.158 115.700 0.064 0.000 2.680 544 S HA 0.649 5.117 4.470 -0.004 0.000 0.284 544 S C -0.803 173.848 174.600 0.084 0.000 1.055 544 S CA -0.958 57.284 58.200 0.070 0.000 0.849 544 S CB 0.320 63.564 63.200 0.074 0.000 1.068 544 S HN 0.421 nan 8.310 nan 0.000 0.453 545 I N -1.434 119.192 120.570 0.094 0.000 3.074 545 I HA 0.867 5.035 4.170 -0.004 0.000 0.310 545 I C -0.563 175.658 176.117 0.173 0.000 1.153 545 I CA -0.794 60.589 61.300 0.138 0.000 0.993 545 I CB 2.126 40.192 38.000 0.110 0.000 1.237 545 I HN 0.682 nan 8.210 nan 0.000 0.443 546 S N 3.531 119.384 115.700 0.255 0.000 2.399 546 S HA 0.467 4.935 4.470 -0.004 0.000 0.301 546 S C -1.680 173.120 174.600 0.333 0.000 1.093 546 S CA -1.391 56.952 58.200 0.238 0.000 1.077 546 S CB 0.597 63.932 63.200 0.225 0.000 0.980 546 S HN 0.584 nan 8.310 nan 0.000 0.494 547 P HA -0.081 nan 4.420 nan 0.000 0.216 547 P C 0.061 177.508 177.300 0.244 0.000 1.157 547 P CA 0.915 64.179 63.100 0.273 0.000 0.880 547 P CB -0.001 31.760 31.700 0.102 0.000 0.791 548 S N 1.026 116.769 115.700 0.071 0.000 2.481 548 S HA 0.041 4.508 4.470 -0.004 0.000 0.282 548 S C 0.520 174.991 174.600 -0.215 0.000 1.243 548 S CA -0.309 57.837 58.200 -0.091 0.000 1.078 548 S CB -0.699 62.444 63.200 -0.095 0.000 0.916 548 S HN 0.297 nan 8.310 nan 0.000 0.495 549 H N 1.378 120.193 119.070 -0.424 0.000 2.546 549 H HA 0.333 4.887 4.556 -0.004 0.000 0.365 549 H C 0.980 176.203 175.328 -0.176 0.000 1.220 549 H CA -0.225 55.452 56.048 -0.617 0.000 1.386 549 H CB 0.520 29.758 29.762 -0.872 0.000 1.510 549 H HN 0.547 nan 8.280 nan 0.000 0.591 550 S N 0.451 116.179 115.700 0.047 0.000 2.475 550 S HA 0.038 4.506 4.470 -0.004 0.000 0.224 550 S C 0.723 175.433 174.600 0.184 0.000 1.042 550 S CA -0.067 58.234 58.200 0.168 0.000 0.935 550 S CB 0.397 63.908 63.200 0.519 0.000 0.801 550 S HN 0.736 nan 8.310 nan 0.000 0.509 551 Q N 0.173 120.114 119.800 0.234 0.000 2.451 551 Q HA 0.580 4.917 4.340 -0.004 0.000 0.281 551 Q C -1.266 174.864 176.000 0.216 0.000 1.099 551 Q CA -0.831 55.095 55.803 0.206 0.000 0.806 551 Q CB 1.824 30.655 28.738 0.155 0.000 1.419 551 Q HN 0.301 nan 8.270 nan 0.000 0.427 552 R N 3.526 124.085 120.500 0.099 0.000 2.593 552 R HA 0.313 4.651 4.340 -0.004 0.000 0.258 552 R C -1.107 175.131 176.300 -0.103 0.000 1.410 552 R CA -0.149 55.899 56.100 -0.087 0.000 1.537 552 R CB 0.199 30.482 30.300 -0.028 0.000 1.362 552 R HN 0.636 nan 8.270 nan 0.000 0.734 553 I N 2.438 122.982 120.570 -0.044 0.000 2.792 553 I HA 0.000 4.168 4.170 -0.004 0.000 0.284 553 I C 0.790 176.899 176.117 -0.014 0.000 1.166 553 I CA 0.398 61.691 61.300 -0.012 0.000 1.375 553 I CB 0.557 38.586 38.000 0.049 0.000 1.421 553 I HN 0.400 nan 8.210 nan 0.000 0.544 554 A N 5.021 127.797 122.820 -0.072 0.000 2.468 554 A HA 0.718 5.035 4.320 -0.004 0.000 0.277 554 A C 1.159 178.607 177.584 -0.228 0.000 1.203 554 A CA -0.198 51.794 52.037 -0.075 0.000 0.932 554 A CB 0.346 19.292 19.000 -0.091 0.000 1.438 554 A HN 0.708 nan 8.150 nan 0.000 0.468 555 G N -0.377 108.295 108.800 -0.214 0.000 3.279 555 G HA2 0.319 4.276 3.960 -0.004 0.000 0.230 555 G HA3 0.319 4.276 3.960 -0.004 0.000 0.230 555 G C 0.343 175.134 174.900 -0.183 0.000 1.230 555 G CA 0.796 45.715 45.100 -0.302 0.000 0.891 555 G HN 0.494 nan 8.290 nan 0.000 0.518 556 S N -0.066 115.547 115.700 -0.146 0.000 2.554 556 S HA 0.128 4.595 4.470 -0.004 0.000 0.226 556 S C 0.907 175.448 174.600 -0.098 0.000 0.980 556 S CA -0.226 57.915 58.200 -0.098 0.000 0.939 556 S CB 0.441 63.600 63.200 -0.068 0.000 0.832 556 S HN 0.243 nan 8.310 nan 0.000 0.486 557 Q N 1.645 121.365 119.800 -0.134 0.000 3.207 557 Q HA 0.325 4.663 4.340 -0.004 0.000 0.335 557 Q C 0.251 176.188 176.000 -0.105 0.000 1.374 557 Q CA -0.143 55.594 55.803 -0.110 0.000 1.023 557 Q CB -0.665 28.001 28.738 -0.121 0.000 1.576 557 Q HN 0.481 nan 8.270 nan 0.000 0.515 558 L N 0.092 121.265 121.223 -0.084 0.000 3.905 558 L HA -0.264 4.074 4.340 -0.004 0.000 0.437 558 L C 0.443 177.260 176.870 -0.089 0.000 1.152 558 L CA 0.527 55.324 54.840 -0.073 0.000 0.935 558 L CB -1.551 40.474 42.059 -0.056 0.000 1.841 558 L HN 0.251 nan 8.230 nan 0.000 0.998 559 S N -0.567 115.059 115.700 -0.124 0.000 3.517 559 S HA 0.208 4.676 4.470 -0.004 0.000 0.284 559 S C 1.556 176.097 174.600 -0.100 0.000 1.260 559 S CA 0.325 58.443 58.200 -0.137 0.000 0.975 559 S CB 0.579 63.640 63.200 -0.231 0.000 1.540 559 S HN 0.421 nan 8.310 nan 0.000 0.506 560 S N 4.241 119.898 115.700 -0.073 0.000 2.412 560 S HA -0.199 4.268 4.470 -0.004 0.000 0.246 560 S C 0.830 175.400 174.600 -0.051 0.000 1.073 560 S CA 1.569 59.737 58.200 -0.055 0.000 1.186 560 S CB -0.179 62.994 63.200 -0.045 0.000 1.084 560 S HN 0.829 nan 8.310 nan 0.000 0.434 561 R N -0.154 120.316 120.500 -0.051 0.000 2.837 561 R HA 0.398 4.735 4.340 -0.004 0.000 0.245 561 R C -1.596 174.674 176.300 -0.049 0.000 1.712 561 R CA -0.026 56.048 56.100 -0.043 0.000 1.539 561 R CB 0.559 30.841 30.300 -0.030 0.000 1.490 561 R HN 0.197 nan 8.270 nan 0.000 0.667 562 L N 1.092 122.277 121.223 -0.063 0.000 2.362 562 L HA 0.387 4.725 4.340 -0.004 0.000 0.271 562 L C 1.011 177.840 176.870 -0.068 0.000 1.002 562 L CA -0.466 54.331 54.840 -0.071 0.000 0.818 562 L CB 2.602 44.629 42.059 -0.053 0.000 1.298 562 L HN 0.448 nan 8.230 nan 0.000 0.420 563 Q N 2.046 121.766 119.800 -0.133 0.000 2.042 563 Q HA 0.005 4.343 4.340 -0.004 0.000 0.194 563 Q C -0.871 175.162 176.000 0.055 0.000 0.978 563 Q CA 1.037 56.796 55.803 -0.072 0.000 0.828 563 Q CB 0.336 28.990 28.738 -0.140 0.000 0.901 563 Q HN 0.606 nan 8.270 nan 0.000 0.461 564 Y N -0.591 119.788 120.300 0.131 0.000 2.326 564 Y HA 0.509 5.057 4.550 -0.003 0.000 0.331 564 Y C -1.040 174.992 175.900 0.220 0.000 0.962 564 Y CA -1.762 56.436 58.100 0.163 0.000 1.167 564 Y CB 0.344 38.874 38.460 0.117 0.000 1.148 564 Y HN 0.069 nan 8.280 nan 0.000 0.463 565 F N 2.437 122.470 119.950 0.138 0.000 2.532 565 F HA 0.847 5.372 4.527 -0.004 0.000 0.321 565 F C 0.531 176.393 175.800 0.103 0.000 1.089 565 F CA -0.426 57.626 58.000 0.088 0.000 0.926 565 F CB 2.315 41.336 39.000 0.035 0.000 1.168 565 F HN 0.864 nan 8.300 nan 0.000 0.459 566 G N 3.073 111.539 108.800 -0.556 0.000 2.192 566 G HA2 -0.298 3.659 3.960 -0.004 0.000 0.193 566 G HA3 -0.298 3.659 3.960 -0.004 0.000 0.193 566 G C 0.614 175.402 174.900 -0.187 0.000 0.999 566 G CA 0.274 45.034 45.100 -0.567 0.000 0.659 566 G HN 0.764 nan 8.290 nan 0.000 0.503 567 Q N 0.128 119.897 119.800 -0.052 0.000 2.084 567 Q HA 0.066 4.404 4.340 -0.004 0.000 0.215 567 Q C 1.573 177.550 176.000 -0.037 0.000 1.020 567 Q CA 2.431 58.236 55.803 0.003 0.000 0.887 567 Q CB -0.241 28.538 28.738 0.069 0.000 0.975 567 Q HN 1.552 nan 8.270 nan 0.000 0.413 568 A N -0.753 122.035 122.820 -0.054 0.000 2.532 568 A HA 0.771 5.089 4.320 -0.004 0.000 0.290 568 A C -1.631 175.913 177.584 -0.066 0.000 1.143 568 A CA -0.818 51.185 52.037 -0.055 0.000 0.728 568 A CB 1.544 20.516 19.000 -0.047 0.000 1.317 568 A HN 0.304 nan 8.150 nan 0.000 0.414 569 L N -3.019 118.177 121.223 -0.045 0.000 2.700 569 L HA 0.815 5.152 4.340 -0.004 0.000 0.255 569 L C -0.817 176.049 176.870 -0.006 0.000 0.933 569 L CA -0.361 54.460 54.840 -0.031 0.000 0.920 569 L CB 1.282 43.310 42.059 -0.052 0.000 1.472 569 L HN 0.511 nan 8.230 nan 0.000 0.426 570 S N 0.005 115.712 115.700 0.012 0.000 2.572 570 S HA 0.962 5.429 4.470 -0.004 0.000 0.274 570 S C -0.335 174.286 174.600 0.035 0.000 1.150 570 S CA -0.126 58.089 58.200 0.024 0.000 0.944 570 S CB 1.909 65.128 63.200 0.032 0.000 1.071 570 S HN 1.314 nan 8.310 nan 0.000 0.479 571 G N -0.139 108.681 108.800 0.033 0.000 2.727 571 G HA2 0.705 4.663 3.960 -0.004 0.000 0.289 571 G HA3 0.705 4.663 3.960 -0.004 0.000 0.289 571 G C 0.354 175.271 174.900 0.029 0.000 1.418 571 G CA -0.053 45.067 45.100 0.034 0.000 0.818 571 G HN 1.517 nan 8.290 nan 0.000 0.486 572 G N -1.581 107.233 108.800 0.024 0.000 2.367 572 G HA2 -0.097 3.860 3.960 -0.004 0.000 0.181 572 G HA3 -0.097 3.860 3.960 -0.004 0.000 0.181 572 G C 0.079 174.985 174.900 0.011 0.000 1.000 572 G CA 0.217 45.329 45.100 0.019 0.000 0.693 572 G HN 0.738 nan 8.290 nan 0.000 0.480 573 Q N 0.800 120.607 119.800 0.012 0.000 2.274 573 Q HA 0.568 4.905 4.340 -0.004 0.000 0.260 573 Q C -0.907 175.092 176.000 -0.002 0.000 0.974 573 Q CA -0.552 55.254 55.803 0.004 0.000 0.876 573 Q CB 2.045 30.789 28.738 0.010 0.000 1.297 573 Q HN 0.247 nan 8.270 nan 0.000 0.446 574 D N 1.842 122.233 120.400 -0.015 0.000 2.380 574 D HA 0.174 4.811 4.640 -0.004 0.000 0.230 574 D C -0.102 176.173 176.300 -0.041 0.000 1.154 574 D CA -0.357 53.623 54.000 -0.033 0.000 0.859 574 D CB 0.540 41.319 40.800 -0.033 0.000 1.045 574 D HN 0.491 nan 8.370 nan 0.000 0.495 575 L N 1.956 123.144 121.223 -0.057 0.000 2.500 575 L HA 0.290 4.628 4.340 -0.004 0.000 0.219 575 L C 1.902 178.688 176.870 -0.140 0.000 1.057 575 L CA 0.629 55.435 54.840 -0.056 0.000 0.854 575 L CB -1.195 40.864 42.059 0.001 0.000 1.078 575 L HN 0.353 nan 8.230 nan 0.000 0.480 576 T N -3.494 110.892 114.554 -0.280 0.000 3.118 576 T HA 0.050 4.397 4.350 -0.004 0.000 0.260 576 T C 1.048 175.545 174.700 -0.339 0.000 1.139 576 T CA 0.759 62.485 62.100 -0.624 0.000 1.085 576 T CB -0.462 67.813 68.868 -0.989 0.000 0.934 576 T HN 0.560 nan 8.240 nan 0.000 0.518 577 Q N 0.441 120.135 119.800 -0.176 0.000 2.305 577 Q HA -0.213 4.125 4.340 -0.004 0.000 0.203 577 Q C -0.557 175.397 176.000 -0.077 0.000 0.663 577 Q CA 1.207 56.956 55.803 -0.091 0.000 1.389 577 Q CB -2.013 26.695 28.738 -0.051 0.000 1.566 577 Q HN 0.968 nan 8.270 nan 0.000 0.755 578 D N -0.860 119.473 120.400 -0.111 0.000 2.348 578 D HA 0.344 4.982 4.640 -0.004 0.000 0.253 578 D C 1.473 177.742 176.300 -0.053 0.000 1.161 578 D CA 0.446 54.406 54.000 -0.066 0.000 0.876 578 D CB 0.921 41.679 40.800 -0.070 0.000 1.160 578 D HN 0.103 nan 8.370 nan 0.000 0.459 579 G N 2.828 111.609 108.800 -0.031 0.000 2.816 579 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.229 579 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.229 579 G C 0.599 175.483 174.900 -0.026 0.000 1.158 579 G CA 1.084 46.169 45.100 -0.024 0.000 0.761 579 G HN 0.545 nan 8.290 nan 0.000 0.636 580 L N 0.315 121.524 121.223 -0.023 0.000 2.454 580 L HA 0.532 4.870 4.340 -0.004 0.000 0.256 580 L C 1.094 177.952 176.870 -0.021 0.000 1.136 580 L CA -0.789 54.042 54.840 -0.015 0.000 0.804 580 L CB 1.353 43.408 42.059 -0.006 0.000 1.181 580 L HN 0.438 nan 8.230 nan 0.000 0.469 581 V N -0.332 119.576 119.914 -0.010 0.000 3.332 581 V HA 0.258 4.376 4.120 -0.004 0.000 0.305 581 V C -0.318 175.770 176.094 -0.011 0.000 1.114 581 V CA -0.403 61.892 62.300 -0.008 0.000 1.194 581 V CB 0.244 32.070 31.823 0.005 0.000 1.027 581 V HN 0.767 nan 8.190 nan 0.000 0.492 582 D N 0.849 121.245 120.400 -0.006 0.000 2.477 582 D HA 0.709 5.346 4.640 -0.004 0.000 0.234 582 D C -1.110 175.204 176.300 0.022 0.000 1.048 582 D CA -0.347 53.653 54.000 0.000 0.000 0.959 582 D CB 2.309 43.101 40.800 -0.013 0.000 1.408 582 D HN 0.671 nan 8.370 nan 0.000 0.496 583 L N 0.477 121.721 121.223 0.035 0.000 2.386 583 L HA 0.741 5.078 4.340 -0.004 0.000 0.271 583 L C -1.456 175.453 176.870 0.065 0.000 0.993 583 L CA -0.624 54.244 54.840 0.047 0.000 0.819 583 L CB 1.722 43.809 42.059 0.046 0.000 1.294 583 L HN 0.461 nan 8.230 nan 0.000 0.414 584 A N 4.737 127.597 122.820 0.066 0.000 2.319 584 A HA 0.780 5.097 4.320 -0.004 0.000 0.310 584 A C -1.460 176.157 177.584 0.056 0.000 1.152 584 A CA -0.501 51.587 52.037 0.085 0.000 0.783 584 A CB 1.266 20.325 19.000 0.098 0.000 1.184 584 A HN 0.511 nan 8.150 nan 0.000 0.474 585 V N 2.566 122.520 119.914 0.066 0.000 2.444 585 V HA 0.622 4.739 4.120 -0.004 0.000 0.294 585 V C 0.893 177.009 176.094 0.036 0.000 1.022 585 V CA -0.292 62.007 62.300 -0.000 0.000 0.850 585 V CB 1.592 33.377 31.823 -0.064 0.000 0.992 585 V HN 1.114 nan 8.190 nan 0.000 0.426 586 G N 3.139 111.933 108.800 -0.009 0.000 2.444 586 G HA2 0.696 4.653 3.960 -0.004 0.000 0.268 586 G HA3 0.696 4.653 3.960 -0.004 0.000 0.268 586 G C -0.297 174.632 174.900 0.049 0.000 1.203 586 G CA 0.321 45.431 45.100 0.018 0.000 0.835 586 G HN 1.195 nan 8.290 nan 0.000 0.543 587 A N 1.767 124.656 122.820 0.116 0.000 2.594 587 A HA 0.745 5.062 4.320 -0.004 0.000 0.291 587 A C 0.071 177.720 177.584 0.108 0.000 1.105 587 A CA -0.892 51.239 52.037 0.156 0.000 0.694 587 A CB 1.160 20.326 19.000 0.277 0.000 1.291 587 A HN 0.795 nan 8.150 nan 0.000 0.410 588 R N 0.323 120.832 120.500 0.016 0.000 2.483 588 R HA 0.357 4.694 4.340 -0.004 0.000 0.329 588 R C 1.271 177.600 176.300 0.049 0.000 0.961 588 R CA 1.977 58.062 56.100 -0.026 0.000 1.041 588 R CB -0.465 29.638 30.300 -0.328 0.000 0.930 588 R HN 1.998 nan 8.270 nan 0.000 0.413 589 G N 2.784 111.690 108.800 0.176 0.000 2.490 589 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.214 589 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.214 589 G C -0.268 174.827 174.900 0.325 0.000 1.151 589 G CA 0.358 45.578 45.100 0.202 0.000 0.684 589 G HN 0.692 nan 8.290 nan 0.000 0.518 590 Q N -0.736 119.240 119.800 0.294 0.000 2.544 590 Q HA 0.800 5.137 4.340 -0.004 0.000 0.291 590 Q C -1.573 174.623 176.000 0.327 0.000 1.068 590 Q CA -0.762 55.249 55.803 0.347 0.000 0.785 590 Q CB 2.860 31.702 28.738 0.173 0.000 1.481 590 Q HN 1.067 nan 8.270 nan 0.000 0.430 591 V N 1.818 121.947 119.914 0.358 0.000 2.686 591 V HA 0.535 4.653 4.120 -0.004 0.000 0.306 591 V C -1.718 174.532 176.094 0.260 0.000 1.065 591 V CA -0.643 61.818 62.300 0.269 0.000 0.894 591 V CB 1.843 33.796 31.823 0.217 0.000 1.004 591 V HN 0.768 nan 8.190 nan 0.000 0.424 592 L N 6.258 127.605 121.223 0.207 0.000 2.334 592 L HA 0.661 4.998 4.340 -0.004 0.000 0.270 592 L C -0.442 176.518 176.870 0.150 0.000 1.018 592 L CA -0.313 54.618 54.840 0.151 0.000 0.811 592 L CB 1.760 43.907 42.059 0.148 0.000 1.271 592 L HN 0.547 nan 8.230 nan 0.000 0.443 593 L N 2.711 123.997 121.223 0.105 0.000 2.343 593 L HA 0.452 4.789 4.340 -0.004 0.000 0.278 593 L C -1.385 175.528 176.870 0.072 0.000 0.996 593 L CA -0.582 54.321 54.840 0.104 0.000 0.831 593 L CB 1.576 43.710 42.059 0.125 0.000 1.232 593 L HN 0.302 nan 8.230 nan 0.000 0.413 594 L N 4.766 126.031 121.223 0.071 0.000 2.276 594 L HA 0.461 4.798 4.340 -0.004 0.000 0.286 594 L C 0.393 177.283 176.870 0.034 0.000 1.024 594 L CA -0.046 54.827 54.840 0.055 0.000 0.826 594 L CB 1.142 43.244 42.059 0.071 0.000 1.211 594 L HN 0.460 nan 8.230 nan 0.000 0.422 595 R N 0.756 121.267 120.500 0.018 0.000 2.649 595 R HA 0.590 4.928 4.340 -0.004 0.000 0.270 595 R C -0.070 176.234 176.300 0.007 0.000 1.105 595 R CA -0.500 55.599 56.100 -0.002 0.000 1.193 595 R CB 0.530 30.817 30.300 -0.021 0.000 1.120 595 R HN 0.626 nan 8.270 nan 0.000 0.561 596 T N -0.269 114.285 114.554 -0.001 0.000 2.770 596 T HA 0.356 4.703 4.350 -0.004 0.000 0.283 596 T C 0.002 174.706 174.700 0.007 0.000 0.988 596 T CA -1.173 60.928 62.100 0.001 0.000 0.957 596 T CB 1.144 70.008 68.868 -0.007 0.000 0.930 596 T HN 0.247 nan 8.240 nan 0.000 0.443 597 R N 3.289 123.800 120.500 0.019 0.000 2.389 597 R HA 0.299 4.637 4.340 -0.004 0.000 0.295 597 R C -2.730 173.596 176.300 0.043 0.000 1.075 597 R CA -2.557 53.563 56.100 0.034 0.000 1.005 597 R CB -0.203 30.126 30.300 0.050 0.000 0.987 597 R HN 0.484 nan 8.270 nan 0.000 0.452 598 P HA -0.076 nan 4.420 nan 0.000 0.260 598 P C -0.187 177.167 177.300 0.089 0.000 1.185 598 P CA 0.159 63.288 63.100 0.048 0.000 0.763 598 P CB 0.346 32.065 31.700 0.030 0.000 0.776 599 V N 3.101 123.092 119.914 0.129 0.000 2.294 599 V HA 0.505 4.623 4.120 -0.004 0.000 0.272 599 V C -0.357 175.886 176.094 0.247 0.000 1.027 599 V CA -1.031 61.414 62.300 0.242 0.000 0.823 599 V CB 0.221 32.258 31.823 0.357 0.000 1.030 599 V HN 0.198 nan 8.190 nan 0.000 0.457 600 L N 3.755 125.074 121.223 0.160 0.000 2.334 600 L HA 1.025 5.362 4.340 -0.004 0.000 0.275 600 L C -0.350 176.651 176.870 0.218 0.000 1.036 600 L CA -1.030 53.815 54.840 0.008 0.000 0.807 600 L CB 0.895 42.916 42.059 -0.064 0.000 1.231 600 L HN 0.866 nan 8.230 nan 0.000 0.438 601 W N 1.257 122.597 121.300 0.066 0.000 2.902 601 W HA 0.902 5.559 4.660 -0.004 0.000 0.346 601 W C -1.563 174.977 176.519 0.034 0.000 1.139 601 W CA -1.436 55.958 57.345 0.082 0.000 1.139 601 W CB 1.088 30.602 29.460 0.089 0.000 1.439 601 W HN 0.544 nan 8.180 nan 0.000 0.558 602 V N 1.519 121.586 119.914 0.255 0.000 2.914 602 V HA 0.943 5.061 4.120 -0.004 0.000 0.314 602 V C -0.239 175.800 176.094 -0.092 0.000 1.084 602 V CA -0.605 61.673 62.300 -0.037 0.000 0.963 602 V CB 1.800 33.592 31.823 -0.052 0.000 1.025 602 V HN 1.099 nan 8.190 nan 0.000 0.432 603 G N 2.315 110.801 108.800 -0.523 0.000 2.417 603 G HA2 0.668 4.625 3.960 -0.004 0.000 0.334 603 G HA3 0.668 4.625 3.960 -0.004 0.000 0.334 603 G C -1.363 173.261 174.900 -0.461 0.000 1.150 603 G CA -0.393 44.380 45.100 -0.544 0.000 0.923 603 G HN 1.169 nan 8.290 nan 0.000 0.485 604 V N 0.342 120.102 119.914 -0.258 0.000 3.007 604 V HA 0.862 4.979 4.120 -0.004 0.000 0.311 604 V C -0.526 175.518 176.094 -0.082 0.000 1.120 604 V CA -0.368 61.834 62.300 -0.163 0.000 0.980 604 V CB 2.452 34.048 31.823 -0.378 0.000 1.033 604 V HN 1.353 nan 8.190 nan 0.000 0.429 605 S N 6.273 121.960 115.700 -0.021 0.000 2.538 605 S HA 0.840 5.308 4.470 -0.004 0.000 0.288 605 S C -0.962 173.601 174.600 -0.061 0.000 1.108 605 S CA -0.797 57.377 58.200 -0.044 0.000 0.971 605 S CB 1.716 64.892 63.200 -0.040 0.000 1.041 605 S HN 0.739 nan 8.310 nan 0.000 0.483 606 M N 2.330 121.884 119.600 -0.077 0.000 2.530 606 M HA 0.577 5.055 4.480 -0.004 0.000 0.307 606 M C -0.721 175.468 176.300 -0.185 0.000 1.161 606 M CA -0.304 54.919 55.300 -0.128 0.000 0.903 606 M CB 2.546 35.081 32.600 -0.108 0.000 1.711 606 M HN 0.930 nan 8.290 nan 0.000 0.451 607 Q N 1.307 120.918 119.800 -0.313 0.000 2.522 607 Q HA 0.533 4.871 4.340 -0.004 0.000 0.285 607 Q C -2.099 173.628 176.000 -0.454 0.000 0.982 607 Q CA -0.589 55.043 55.803 -0.285 0.000 0.805 607 Q CB 2.318 30.990 28.738 -0.110 0.000 1.457 607 Q HN 0.644 nan 8.270 nan 0.000 0.394 608 F N 3.046 123.014 119.950 0.031 0.000 2.366 608 F HA 0.399 4.923 4.527 -0.004 0.000 0.366 608 F C 1.076 176.881 175.800 0.007 0.000 1.096 608 F CA -0.572 57.441 58.000 0.022 0.000 1.060 608 F CB 0.634 39.636 39.000 0.004 0.000 1.282 608 F HN 0.625 nan 8.300 nan 0.000 0.450 609 I N 2.530 123.188 120.570 0.146 0.000 2.093 609 I HA -0.238 3.930 4.170 -0.004 0.000 0.239 609 I C -1.076 175.087 176.117 0.077 0.000 1.026 609 I CA 1.174 62.522 61.300 0.080 0.000 1.295 609 I CB -1.026 37.007 38.000 0.055 0.000 1.007 609 I HN 0.312 nan 8.210 nan 0.000 0.401 610 P HA 0.039 nan 4.420 nan 0.000 0.263 610 P C 0.261 177.591 177.300 0.050 0.000 1.247 610 P CA 0.343 63.468 63.100 0.041 0.000 0.876 610 P CB 0.820 32.527 31.700 0.012 0.000 0.928 611 A N 4.869 127.717 122.820 0.048 0.000 1.863 611 A HA -0.240 4.077 4.320 -0.004 0.000 0.218 611 A C 1.093 178.684 177.584 0.012 0.000 1.233 611 A CA 1.843 53.914 52.037 0.057 0.000 0.655 611 A CB -0.720 18.303 19.000 0.039 0.000 0.839 611 A HN 0.621 nan 8.150 nan 0.000 0.454 612 E N -2.069 118.109 120.200 -0.036 0.000 2.538 612 E HA 0.717 5.064 4.350 -0.004 0.000 0.232 612 E C -0.963 175.548 176.600 -0.147 0.000 0.830 612 E CA -1.033 55.302 56.400 -0.108 0.000 0.916 612 E CB 0.793 30.458 29.700 -0.059 0.000 1.567 612 E HN 0.256 nan 8.360 nan 0.000 0.389 613 I N 1.330 121.793 120.570 -0.178 0.000 2.378 613 I HA 0.238 4.405 4.170 -0.004 0.000 0.291 613 I C -1.964 174.125 176.117 -0.047 0.000 0.992 613 I CA -2.411 58.806 61.300 -0.139 0.000 1.154 613 I CB 2.088 39.957 38.000 -0.218 0.000 1.315 613 I HN 0.408 nan 8.210 nan 0.000 0.448 614 P HA 0.018 nan 4.420 nan 0.000 0.249 614 P C 0.639 177.926 177.300 -0.021 0.000 1.241 614 P CA 0.172 63.259 63.100 -0.023 0.000 0.781 614 P CB 0.102 31.794 31.700 -0.013 0.000 1.088 615 R N -1.645 118.860 120.500 0.008 0.000 3.922 615 R HA -0.191 4.146 4.340 -0.004 0.000 0.447 615 R C 1.133 177.493 176.300 0.100 0.000 1.035 615 R CA 1.002 57.104 56.100 0.003 0.000 1.289 615 R CB -2.206 27.987 30.300 -0.179 0.000 1.906 615 R HN 0.109 nan 8.270 nan 0.000 0.540 616 S N -0.303 115.442 115.700 0.075 0.000 2.345 616 S HA 0.015 4.483 4.470 -0.004 0.000 0.220 616 S C 1.168 175.825 174.600 0.096 0.000 1.031 616 S CA 1.229 59.469 58.200 0.067 0.000 0.996 616 S CB 0.120 63.342 63.200 0.036 0.000 0.882 616 S HN 0.556 nan 8.310 nan 0.000 0.445 617 A N 0.314 123.195 122.820 0.102 0.000 3.258 617 A HA 0.538 4.855 4.320 -0.004 0.000 0.275 617 A C 0.384 178.057 177.584 0.149 0.000 1.452 617 A CA -0.533 51.560 52.037 0.093 0.000 1.120 617 A CB -0.575 18.454 19.000 0.049 0.000 1.107 617 A HN 0.429 nan 8.150 nan 0.000 0.651 618 F N -0.259 119.710 119.950 0.032 0.000 2.429 618 F HA 0.244 4.768 4.527 -0.004 0.000 0.245 618 F C 1.764 177.580 175.800 0.026 0.000 1.048 618 F CA 1.045 59.075 58.000 0.050 0.000 1.013 618 F CB 0.172 39.203 39.000 0.052 0.000 1.141 618 F HN 0.310 nan 8.300 nan 0.000 0.653 619 E N 0.331 120.642 120.200 0.185 0.000 2.299 619 E HA 0.043 4.391 4.350 -0.004 0.000 0.193 619 E C 0.825 177.430 176.600 0.007 0.000 0.998 619 E CA 0.678 57.078 56.400 0.002 0.000 0.851 619 E CB 0.069 29.916 29.700 0.245 0.000 0.795 619 E HN 0.614 nan 8.360 nan 0.000 0.492 620 c N -0.832 117.802 118.600 0.058 0.000 0.168 620 c HA -0.232 4.336 4.570 -0.004 0.000 0.017 620 c C -0.096 174.007 174.090 0.021 0.000 0.171 620 c CA -0.276 56.070 56.329 0.029 0.000 0.499 620 c CB -0.690 41.817 42.510 -0.005 0.000 3.212 620 c HN 0.579 nan 8.230 nan 0.000 1.118 621 R N -0.057 120.450 120.500 0.011 0.000 2.741 621 R HA 0.542 4.879 4.340 -0.004 0.000 0.276 621 R C -0.901 175.402 176.300 0.004 0.000 1.028 621 R CA -0.310 55.796 56.100 0.010 0.000 0.865 621 R CB 1.079 31.389 30.300 0.017 0.000 1.268 621 R HN 0.875 nan 8.270 nan 0.000 0.475 622 E N 1.573 121.774 120.200 0.003 0.000 3.157 622 E HA 0.069 4.417 4.350 -0.004 0.000 0.203 622 E C -1.140 175.461 176.600 0.002 0.000 0.982 622 E CA -0.136 56.264 56.400 0.000 0.000 1.217 622 E CB 1.301 31.000 29.700 -0.003 0.000 1.123 622 E HN 0.395 nan 8.360 nan 0.000 0.457 623 Q N 0.311 120.113 119.800 0.004 0.000 2.333 623 Q HA 0.507 4.844 4.340 -0.004 0.000 0.267 623 Q C 0.589 176.592 176.000 0.005 0.000 1.012 623 Q CA -0.620 55.185 55.803 0.004 0.000 0.824 623 Q CB 1.744 30.485 28.738 0.005 0.000 1.290 623 Q HN 0.011 nan 8.270 nan 0.000 0.449 624 V N -0.668 119.249 119.914 0.004 0.000 0.691 624 V HA -0.286 3.832 4.120 -0.004 0.000 0.092 624 V C 0.273 176.369 176.094 0.004 0.000 0.769 624 V CA 0.677 62.980 62.300 0.005 0.000 3.097 624 V CB -2.331 29.495 31.823 0.006 0.000 0.181 624 V HN 1.438 nan 8.190 nan 0.000 0.064 625 V N -1.858 118.060 119.914 0.005 0.000 3.083 625 V HA 0.762 4.880 4.120 -0.004 0.000 0.306 625 V C 0.740 176.836 176.094 0.004 0.000 1.077 625 V CA 0.262 62.565 62.300 0.005 0.000 1.073 625 V CB 1.253 33.080 31.823 0.007 0.000 1.081 625 V HN 1.631 nan 8.190 nan 0.000 0.474 626 S N 2.095 117.797 115.700 0.003 0.000 2.423 626 S HA 0.191 4.658 4.470 -0.004 0.000 0.302 626 S C 0.176 174.779 174.600 0.006 0.000 1.143 626 S CA -0.059 58.142 58.200 0.003 0.000 1.080 626 S CB -0.604 62.596 63.200 0.000 0.000 1.081 626 S HN 0.841 nan 8.310 nan 0.000 0.522 627 E N 3.289 123.494 120.200 0.009 0.000 1.861 627 E HA 0.044 4.392 4.350 -0.004 0.000 0.263 627 E C -0.228 176.378 176.600 0.010 0.000 1.137 627 E CA -0.189 56.217 56.400 0.010 0.000 0.944 627 E CB 0.296 30.004 29.700 0.013 0.000 1.092 627 E HN 0.602 nan 8.360 nan 0.000 0.420 628 Q N 1.603 121.408 119.800 0.008 0.000 2.244 628 Q HA 0.028 4.365 4.340 -0.004 0.000 0.276 628 Q C 0.124 176.128 176.000 0.006 0.000 1.122 628 Q CA 0.351 56.157 55.803 0.005 0.000 0.920 628 Q CB 0.513 29.253 28.738 0.004 0.000 1.186 628 Q HN 0.290 nan 8.270 nan 0.000 0.393 629 T N 2.364 116.920 114.554 0.004 0.000 2.855 629 T HA 0.130 4.478 4.350 -0.004 0.000 0.314 629 T C -0.339 174.360 174.700 -0.001 0.000 1.077 629 T CA -0.168 61.934 62.100 0.002 0.000 1.095 629 T CB 0.306 69.173 68.868 -0.001 0.000 0.987 629 T HN 0.303 nan 8.240 nan 0.000 0.546 630 L N 4.634 125.860 121.223 0.005 0.000 2.337 630 L HA 0.495 4.833 4.340 -0.004 0.000 0.269 630 L C -0.720 176.160 176.870 0.016 0.000 1.018 630 L CA -0.359 54.490 54.840 0.015 0.000 0.876 630 L CB 0.707 42.781 42.059 0.025 0.000 1.236 630 L HN 0.375 nan 8.230 nan 0.000 0.436 631 V N 4.421 124.341 119.914 0.010 0.000 2.607 631 V HA 0.383 4.500 4.120 -0.004 0.000 0.289 631 V C 0.167 176.318 176.094 0.094 0.000 1.053 631 V CA -0.494 61.821 62.300 0.025 0.000 0.996 631 V CB 1.465 33.269 31.823 -0.031 0.000 0.995 631 V HN 0.676 nan 8.190 nan 0.000 0.476 632 Q N 1.845 121.720 119.800 0.125 0.000 2.282 632 Q HA 0.516 4.853 4.340 -0.004 0.000 0.260 632 Q C -0.679 175.467 176.000 0.243 0.000 0.964 632 Q CA -0.251 55.647 55.803 0.159 0.000 0.880 632 Q CB 2.081 30.875 28.738 0.094 0.000 1.286 632 Q HN 0.727 nan 8.270 nan 0.000 0.445 633 S N 2.748 118.611 115.700 0.272 0.000 2.596 633 S HA 0.324 4.792 4.470 -0.004 0.000 0.318 633 S C -1.099 173.576 174.600 0.124 0.000 1.097 633 S CA -0.700 57.627 58.200 0.211 0.000 1.080 633 S CB 0.607 64.019 63.200 0.353 0.000 0.991 633 S HN 0.596 nan 8.310 nan 0.000 0.471 634 N N 5.203 123.896 118.700 -0.011 0.000 2.424 634 N HA 0.487 5.224 4.740 -0.004 0.000 0.271 634 N C -1.046 174.442 175.510 -0.036 0.000 0.985 634 N CA -0.357 52.680 53.050 -0.022 0.000 0.921 634 N CB 0.707 39.160 38.487 -0.057 0.000 1.149 634 N HN 0.675 nan 8.380 nan 0.000 0.492 635 I N 1.728 122.319 120.570 0.035 0.000 2.603 635 I HA 0.488 4.656 4.170 -0.004 0.000 0.300 635 I C -0.353 175.782 176.117 0.030 0.000 1.017 635 I CA -0.808 60.515 61.300 0.038 0.000 1.098 635 I CB 1.898 39.967 38.000 0.116 0.000 1.279 635 I HN 0.343 nan 8.210 nan 0.000 0.437 636 c N 5.127 123.738 118.600 0.018 0.000 2.797 636 c HA 0.714 5.281 4.570 -0.004 0.000 0.306 636 c C -0.519 173.624 174.090 0.088 0.000 1.207 636 c CA -0.813 55.537 56.329 0.036 0.000 1.507 636 c CB 1.731 44.228 42.510 -0.022 0.000 2.028 636 c HN 0.551 nan 8.230 nan 0.000 0.475 637 L N 2.749 124.056 121.223 0.140 0.000 2.438 637 L HA 0.671 5.008 4.340 -0.004 0.000 0.270 637 L C -1.191 175.802 176.870 0.206 0.000 0.972 637 L CA -0.490 54.416 54.840 0.109 0.000 0.831 637 L CB 1.494 43.536 42.059 -0.028 0.000 1.273 637 L HN 0.910 nan 8.230 nan 0.000 0.405 638 Y N 2.493 122.756 120.300 -0.061 0.000 2.519 638 Y HA 0.757 5.304 4.550 -0.004 0.000 0.336 638 Y C -1.030 174.842 175.900 -0.047 0.000 1.089 638 Y CA -1.375 56.700 58.100 -0.041 0.000 1.025 638 Y CB 1.249 39.687 38.460 -0.036 0.000 1.318 638 Y HN 0.420 nan 8.280 nan 0.000 0.452 639 I N 1.348 121.843 120.570 -0.125 0.000 2.412 639 I HA 0.556 4.723 4.170 -0.004 0.000 0.296 639 I C -0.633 175.389 176.117 -0.158 0.000 0.987 639 I CA -0.567 60.600 61.300 -0.221 0.000 1.180 639 I CB 2.088 39.994 38.000 -0.157 0.000 1.340 639 I HN 0.884 nan 8.210 nan 0.000 0.455 640 D N 3.841 124.101 120.400 -0.233 0.000 2.504 640 D HA 0.044 4.682 4.640 -0.004 0.000 0.276 640 D C 0.363 176.549 176.300 -0.191 0.000 1.073 640 D CA 0.087 54.013 54.000 -0.124 0.000 0.905 640 D CB 0.282 41.069 40.800 -0.021 0.000 1.350 640 D HN 0.490 nan 8.370 nan 0.000 0.496 641 K N 0.808 120.977 120.400 -0.385 0.000 2.276 641 K HA 0.308 4.625 4.320 -0.004 0.000 0.285 641 K C 1.089 177.394 176.600 -0.493 0.000 1.062 641 K CA -0.216 55.805 56.287 -0.444 0.000 0.918 641 K CB 0.984 33.103 32.500 -0.636 0.000 1.055 641 K HN 0.168 nan 8.250 nan 0.000 0.477 642 R N 0.836 121.175 120.500 -0.267 0.000 2.709 642 R HA -0.011 4.326 4.340 -0.004 0.000 0.200 642 R C 1.158 177.396 176.300 -0.104 0.000 0.974 642 R CA 0.509 56.498 56.100 -0.185 0.000 1.416 642 R CB -0.404 29.818 30.300 -0.129 0.000 1.709 642 R HN 0.517 nan 8.270 nan 0.000 0.546 643 S N 2.994 118.651 115.700 -0.071 0.000 2.414 643 S HA -0.373 4.095 4.470 -0.004 0.000 0.241 643 S C 1.850 176.438 174.600 -0.020 0.000 1.079 643 S CA 2.127 60.309 58.200 -0.030 0.000 1.087 643 S CB -0.577 62.621 63.200 -0.004 0.000 0.927 643 S HN 0.669 nan 8.310 nan 0.000 0.456 644 K N 1.753 122.142 120.400 -0.018 0.000 2.007 644 K HA 0.023 4.340 4.320 -0.004 0.000 0.206 644 K C 1.595 178.185 176.600 -0.016 0.000 1.047 644 K CA 1.313 57.597 56.287 -0.006 0.000 0.937 644 K CB -0.528 31.978 32.500 0.010 0.000 0.718 644 K HN 0.237 nan 8.250 nan 0.000 0.438 645 N N 1.196 119.879 118.700 -0.029 0.000 2.453 645 N HA 0.057 4.794 4.740 -0.004 0.000 0.183 645 N C 0.412 175.905 175.510 -0.028 0.000 1.041 645 N CA 0.702 53.735 53.050 -0.028 0.000 0.900 645 N CB -0.465 37.999 38.487 -0.038 0.000 0.961 645 N HN 0.226 nan 8.380 nan 0.000 0.443 646 L N -1.061 120.143 121.223 -0.032 0.000 0.598 646 L HA -0.287 4.050 4.340 -0.004 0.000 0.356 646 L C 0.257 177.110 176.870 -0.028 0.000 1.008 646 L CA -0.090 54.734 54.840 -0.026 0.000 1.223 646 L CB -0.590 41.458 42.059 -0.018 0.000 0.045 646 L HN 0.065 nan 8.230 nan 0.000 0.093 647 L N 0.081 121.290 121.223 -0.023 0.000 2.456 647 L HA 0.427 4.764 4.340 -0.004 0.000 0.266 647 L C 1.258 178.117 176.870 -0.019 0.000 1.258 647 L CA 1.045 55.872 54.840 -0.021 0.000 0.823 647 L CB -0.183 41.867 42.059 -0.016 0.000 1.100 647 L HN 0.960 nan 8.230 nan 0.000 0.531 648 G N -0.018 108.772 108.800 -0.017 0.000 2.760 648 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.246 648 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.246 648 G C -0.353 174.536 174.900 -0.018 0.000 1.359 648 G CA -0.488 44.603 45.100 -0.016 0.000 0.861 648 G HN 0.681 nan 8.290 nan 0.000 0.541 649 S N -0.007 115.683 115.700 -0.017 0.000 2.631 649 S HA 0.151 4.618 4.470 -0.004 0.000 0.311 649 S C 1.533 176.119 174.600 -0.022 0.000 1.254 649 S CA 1.831 60.018 58.200 -0.021 0.000 1.039 649 S CB 0.589 63.777 63.200 -0.020 0.000 0.753 649 S HN 1.892 nan 8.310 nan 0.000 0.494 650 R N 1.430 121.915 120.500 -0.025 0.000 1.354 650 R HA -0.257 4.080 4.340 -0.004 0.000 0.055 650 R C 0.991 177.276 176.300 -0.024 0.000 0.949 650 R CA 1.752 57.838 56.100 -0.024 0.000 1.971 650 R CB -1.811 28.478 30.300 -0.019 0.000 0.284 650 R HN 0.654 nan 8.270 nan 0.000 0.723 651 D N 0.196 120.580 120.400 -0.028 0.000 2.351 651 D HA -0.015 4.622 4.640 -0.004 0.000 0.216 651 D C 1.244 177.522 176.300 -0.036 0.000 0.968 651 D CA 1.385 55.362 54.000 -0.037 0.000 0.899 651 D CB 0.177 40.953 40.800 -0.040 0.000 0.907 651 D HN 0.301 nan 8.370 nan 0.000 0.514 652 L N -0.240 120.967 121.223 -0.027 0.000 3.013 652 L HA 0.243 4.580 4.340 -0.004 0.000 0.181 652 L C 0.853 177.710 176.870 -0.022 0.000 1.369 652 L CA 0.012 54.839 54.840 -0.022 0.000 1.743 652 L CB -1.272 40.776 42.059 -0.018 0.000 1.790 652 L HN -0.101 nan 8.230 nan 0.000 0.899 653 Q N 1.217 121.004 119.800 -0.022 0.000 2.348 653 Q HA 0.140 4.477 4.340 -0.004 0.000 0.331 653 Q C -1.080 174.905 176.000 -0.025 0.000 1.099 653 Q CA 0.821 56.609 55.803 -0.025 0.000 1.021 653 Q CB 0.240 28.960 28.738 -0.029 0.000 1.166 653 Q HN 0.548 nan 8.270 nan 0.000 0.393 654 S N 1.503 117.187 115.700 -0.025 0.000 2.354 654 S HA 0.193 4.661 4.470 -0.004 0.000 0.306 654 S C -0.934 173.654 174.600 -0.020 0.000 0.900 654 S CA -0.892 57.297 58.200 -0.018 0.000 0.921 654 S CB 0.595 63.792 63.200 -0.005 0.000 1.209 654 S HN 0.478 nan 8.310 nan 0.000 0.433 655 S N 1.692 117.380 115.700 -0.021 0.000 2.589 655 S HA 0.696 5.164 4.470 -0.004 0.000 0.265 655 S C 0.065 174.664 174.600 -0.002 0.000 1.342 655 S CA -0.364 57.821 58.200 -0.024 0.000 1.005 655 S CB 0.888 64.075 63.200 -0.021 0.000 0.909 655 S HN 0.936 nan 8.310 nan 0.000 0.555 656 V N 0.997 120.911 119.914 -0.001 0.000 3.087 656 V HA 0.482 4.600 4.120 -0.004 0.000 0.306 656 V C -0.369 175.748 176.094 0.038 0.000 1.187 656 V CA -1.030 61.295 62.300 0.041 0.000 0.999 656 V CB 2.553 34.421 31.823 0.075 0.000 1.049 656 V HN 1.003 nan 8.190 nan 0.000 0.431 657 T N 1.936 116.525 114.554 0.058 0.000 2.767 657 T HA 0.797 5.144 4.350 -0.004 0.000 0.284 657 T C -0.712 174.035 174.700 0.079 0.000 0.973 657 T CA -0.465 61.663 62.100 0.046 0.000 0.996 657 T CB 0.767 69.651 68.868 0.026 0.000 0.927 657 T HN 0.382 nan 8.240 nan 0.000 0.456 658 L N 2.670 123.925 121.223 0.054 0.000 2.317 658 L HA 0.585 4.923 4.340 -0.004 0.000 0.281 658 L C -0.532 176.339 176.870 0.001 0.000 1.024 658 L CA -0.781 54.094 54.840 0.058 0.000 0.810 658 L CB 1.447 43.527 42.059 0.035 0.000 1.240 658 L HN 0.675 nan 8.230 nan 0.000 0.427 659 D N 3.282 123.699 120.400 0.027 0.000 2.363 659 D HA 0.381 5.018 4.640 -0.004 0.000 0.258 659 D C -0.726 175.592 176.300 0.030 0.000 1.259 659 D CA -0.194 53.809 54.000 0.006 0.000 0.921 659 D CB 1.018 41.847 40.800 0.048 0.000 1.201 659 D HN 0.184 nan 8.370 nan 0.000 0.524 660 L N 1.040 122.222 121.223 -0.070 0.000 2.371 660 L HA 0.826 5.163 4.340 -0.004 0.000 0.272 660 L C 0.290 177.266 176.870 0.177 0.000 1.124 660 L CA -0.774 54.082 54.840 0.026 0.000 0.816 660 L CB 1.169 43.138 42.059 -0.150 0.000 1.129 660 L HN 0.289 nan 8.230 nan 0.000 0.448 661 A N 3.638 126.615 122.820 0.261 0.000 2.465 661 A HA 0.716 5.034 4.320 -0.004 0.000 0.292 661 A C -1.198 176.494 177.584 0.180 0.000 1.041 661 A CA -0.508 51.670 52.037 0.236 0.000 0.718 661 A CB 1.192 20.277 19.000 0.142 0.000 1.266 661 A HN 0.479 nan 8.150 nan 0.000 0.403 662 L N 1.354 122.645 121.223 0.114 0.000 2.343 662 L HA 0.521 4.859 4.340 -0.004 0.000 0.275 662 L C 0.002 176.890 176.870 0.029 0.000 1.056 662 L CA -0.110 54.756 54.840 0.043 0.000 0.804 662 L CB 0.772 42.784 42.059 -0.079 0.000 1.203 662 L HN 0.705 nan 8.230 nan 0.000 0.440 663 D N 1.577 121.998 120.400 0.034 0.000 2.829 663 D HA -0.178 4.460 4.640 -0.004 0.000 0.219 663 D C -1.748 174.562 176.300 0.015 0.000 1.239 663 D CA 0.309 54.323 54.000 0.023 0.000 0.685 663 D CB -0.419 40.387 40.800 0.010 0.000 0.950 663 D HN 0.401 nan 8.370 nan 0.000 0.398 664 P HA -0.078 nan 4.420 nan 0.000 0.214 664 P C 1.681 178.975 177.300 -0.010 0.000 1.162 664 P CA 1.575 64.679 63.100 0.007 0.000 0.879 664 P CB 0.115 31.814 31.700 -0.002 0.000 0.786 665 G N 0.016 108.806 108.800 -0.016 0.000 2.498 665 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.219 665 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.219 665 G C 0.622 175.509 174.900 -0.021 0.000 1.119 665 G CA 0.035 45.120 45.100 -0.025 0.000 0.766 665 G HN 0.332 nan 8.290 nan 0.000 0.552 666 R N -0.410 120.081 120.500 -0.015 0.000 2.664 666 R HA 0.488 4.825 4.340 -0.004 0.000 0.286 666 R C -0.345 175.946 176.300 -0.015 0.000 0.967 666 R CA -0.964 55.125 56.100 -0.018 0.000 0.933 666 R CB 1.072 31.361 30.300 -0.018 0.000 1.146 666 R HN -0.004 nan 8.270 nan 0.000 0.468 667 L N 2.020 123.233 121.223 -0.017 0.000 2.862 667 L HA 0.116 4.454 4.340 -0.004 0.000 0.240 667 L C -0.094 176.766 176.870 -0.016 0.000 1.283 667 L CA 0.011 54.842 54.840 -0.015 0.000 1.117 667 L CB 0.038 42.088 42.059 -0.015 0.000 1.444 667 L HN 0.788 nan 8.230 nan 0.000 0.456 668 S N -1.708 113.981 115.700 -0.018 0.000 2.317 668 S HA 0.381 4.849 4.470 -0.004 0.000 0.144 668 S C -2.564 172.023 174.600 -0.021 0.000 1.660 668 S CA -1.279 56.907 58.200 -0.022 0.000 1.273 668 S CB 0.516 63.699 63.200 -0.030 0.000 1.330 668 S HN -0.090 nan 8.310 nan 0.000 0.395 669 P HA 0.156 nan 4.420 nan 0.000 0.258 669 P C 0.496 177.780 177.300 -0.027 0.000 1.172 669 P CA 0.034 63.122 63.100 -0.021 0.000 0.762 669 P CB 0.421 32.109 31.700 -0.019 0.000 0.764 670 R N 2.337 122.822 120.500 -0.025 0.000 2.313 670 R HA 0.396 4.733 4.340 -0.004 0.000 0.199 670 R C 0.300 176.579 176.300 -0.036 0.000 0.958 670 R CA 0.476 56.567 56.100 -0.015 0.000 1.047 670 R CB 0.074 30.389 30.300 0.024 0.000 0.955 670 R HN 0.619 nan 8.270 nan 0.000 0.481 671 A N -2.005 120.772 122.820 -0.070 0.000 2.438 671 A HA 0.538 4.855 4.320 -0.004 0.000 0.301 671 A C -1.284 176.210 177.584 -0.150 0.000 1.101 671 A CA -0.265 51.707 52.037 -0.110 0.000 0.621 671 A CB 0.681 19.592 19.000 -0.149 0.000 1.350 671 A HN 0.168 nan 8.150 nan 0.000 0.496 672 T N -2.086 112.351 114.554 -0.195 0.000 2.885 672 T HA 0.664 5.011 4.350 -0.004 0.000 0.322 672 T C -0.839 173.721 174.700 -0.235 0.000 1.387 672 T CA -0.541 61.444 62.100 -0.192 0.000 1.041 672 T CB 0.585 69.428 68.868 -0.041 0.000 1.287 672 T HN 0.783 nan 8.240 nan 0.000 0.491 673 F N 1.492 121.463 119.950 0.036 0.000 2.418 673 F HA 0.413 4.937 4.527 -0.004 0.000 0.341 673 F C 2.171 178.004 175.800 0.055 0.000 1.120 673 F CA -0.548 57.484 58.000 0.053 0.000 1.232 673 F CB 1.036 40.053 39.000 0.028 0.000 1.175 673 F HN 0.777 nan 8.300 nan 0.000 0.569 674 Q N 0.971 120.924 119.800 0.256 0.000 2.096 674 Q HA -0.168 4.169 4.340 -0.004 0.000 0.197 674 Q C 1.911 178.003 176.000 0.153 0.000 0.964 674 Q CA 1.281 57.181 55.803 0.161 0.000 0.838 674 Q CB 0.014 28.832 28.738 0.132 0.000 0.906 674 Q HN 0.767 nan 8.270 nan 0.000 0.444 675 E N -0.396 119.913 120.200 0.182 0.000 2.130 675 E HA -0.189 4.158 4.350 -0.004 0.000 0.196 675 E C 1.494 178.156 176.600 0.102 0.000 0.998 675 E CA 1.966 58.447 56.400 0.135 0.000 0.806 675 E CB -0.186 29.603 29.700 0.149 0.000 0.738 675 E HN 0.305 nan 8.360 nan 0.000 0.459 676 T N -2.363 112.261 114.554 0.117 0.000 2.955 676 T HA 0.163 4.510 4.350 -0.004 0.000 0.251 676 T C 0.792 175.549 174.700 0.095 0.000 1.002 676 T CA 0.672 62.825 62.100 0.088 0.000 0.970 676 T CB -0.141 68.768 68.868 0.068 0.000 1.091 676 T HN 0.281 nan 8.240 nan 0.000 0.495 677 K N -0.086 120.388 120.400 0.122 0.000 3.609 677 K HA -0.150 4.168 4.320 -0.004 0.000 0.277 677 K C -0.337 176.317 176.600 0.089 0.000 1.196 677 K CA 0.877 57.220 56.287 0.092 0.000 1.022 677 K CB -1.387 31.151 32.500 0.063 0.000 1.292 677 K HN 0.351 nan 8.250 nan 0.000 0.484 678 N N 0.191 118.962 118.700 0.117 0.000 2.347 678 N HA 0.117 4.854 4.740 -0.004 0.000 0.253 678 N C 0.829 176.420 175.510 0.134 0.000 1.274 678 N CA 0.312 53.428 53.050 0.110 0.000 0.941 678 N CB 0.526 39.077 38.487 0.107 0.000 1.200 678 N HN 0.275 nan 8.380 nan 0.000 0.514 679 R N -1.334 119.223 120.500 0.095 0.000 2.313 679 R HA 0.227 4.564 4.340 -0.004 0.000 0.199 679 R C -0.219 176.186 176.300 0.175 0.000 0.958 679 R CA 0.144 56.278 56.100 0.056 0.000 1.047 679 R CB -0.429 29.886 30.300 0.024 0.000 0.955 679 R HN 0.423 nan 8.270 nan 0.000 0.481 680 S N -0.605 115.280 115.700 0.308 0.000 2.656 680 S HA 0.758 5.226 4.470 -0.004 0.000 0.273 680 S C -1.107 173.608 174.600 0.193 0.000 1.168 680 S CA -0.735 57.699 58.200 0.390 0.000 0.817 680 S CB 1.581 64.891 63.200 0.182 0.000 1.146 680 S HN 0.354 nan 8.310 nan 0.000 0.475 681 L N -2.062 119.082 121.223 -0.131 0.000 2.710 681 L HA 0.971 5.309 4.340 -0.004 0.000 0.260 681 L C -0.969 175.736 176.870 -0.274 0.000 0.993 681 L CA -0.428 54.248 54.840 -0.273 0.000 0.877 681 L CB 1.449 43.183 42.059 -0.541 0.000 1.461 681 L HN 0.894 nan 8.230 nan 0.000 0.413 682 S N 0.635 116.229 115.700 -0.178 0.000 2.541 682 S HA 0.892 5.359 4.470 -0.004 0.000 0.280 682 S C -1.246 173.302 174.600 -0.086 0.000 1.112 682 S CA -0.642 57.484 58.200 -0.123 0.000 0.925 682 S CB 1.339 64.507 63.200 -0.053 0.000 1.067 682 S HN 0.833 nan 8.310 nan 0.000 0.479 683 R N 2.324 122.792 120.500 -0.053 0.000 2.535 683 R HA 0.374 4.712 4.340 -0.004 0.000 0.274 683 R C -1.733 174.581 176.300 0.022 0.000 1.090 683 R CA -0.722 55.382 56.100 0.005 0.000 0.930 683 R CB 1.938 32.274 30.300 0.060 0.000 1.223 683 R HN 0.464 nan 8.270 nan 0.000 0.441 684 V N 4.512 124.437 119.914 0.018 0.000 2.385 684 V HA 0.412 4.530 4.120 -0.004 0.000 0.269 684 V C 0.286 176.377 176.094 -0.004 0.000 1.043 684 V CA -0.166 62.139 62.300 0.008 0.000 0.906 684 V CB 0.723 32.548 31.823 0.004 0.000 0.995 684 V HN 0.584 nan 8.190 nan 0.000 0.467 685 R N 3.071 123.548 120.500 -0.039 0.000 2.837 685 R HA 0.645 4.982 4.340 -0.004 0.000 0.271 685 R C -1.168 175.015 176.300 -0.194 0.000 0.993 685 R CA -0.943 55.088 56.100 -0.116 0.000 0.931 685 R CB 2.532 32.739 30.300 -0.155 0.000 1.206 685 R HN 0.450 nan 8.270 nan 0.000 0.474 686 V N 3.810 123.589 119.914 -0.224 0.000 2.488 686 V HA 0.317 4.435 4.120 -0.004 0.000 0.277 686 V C -0.176 175.783 176.094 -0.225 0.000 1.046 686 V CA -0.218 61.983 62.300 -0.164 0.000 0.986 686 V CB 0.570 32.344 31.823 -0.081 0.000 0.989 686 V HN 0.498 nan 8.190 nan 0.000 0.475 687 L N 6.315 127.463 121.223 -0.126 0.000 2.400 687 L HA 0.924 5.261 4.340 -0.004 0.000 0.264 687 L C 0.650 177.506 176.870 -0.025 0.000 1.061 687 L CA -0.068 54.726 54.840 -0.076 0.000 0.799 687 L CB 1.767 43.798 42.059 -0.048 0.000 1.240 687 L HN 0.815 nan 8.230 nan 0.000 0.461 688 G N -0.370 108.434 108.800 0.007 0.000 2.649 688 G HA2 0.402 4.359 3.960 -0.004 0.000 0.290 688 G HA3 0.402 4.359 3.960 -0.004 0.000 0.290 688 G C -0.189 174.724 174.900 0.022 0.000 1.426 688 G CA -0.658 44.449 45.100 0.012 0.000 0.794 688 G HN 0.523 nan 8.290 nan 0.000 0.483 689 L N -1.558 119.671 121.223 0.012 0.000 2.456 689 L HA 0.410 4.747 4.340 -0.004 0.000 0.224 689 L C 1.015 177.920 176.870 0.059 0.000 1.148 689 L CA 0.879 55.730 54.840 0.019 0.000 0.825 689 L CB -0.587 41.469 42.059 -0.005 0.000 0.937 689 L HN 0.207 nan 8.230 nan 0.000 0.450 690 K N 1.841 122.271 120.400 0.050 0.000 2.183 690 K HA 0.662 4.979 4.320 -0.004 0.000 0.274 690 K C 0.124 176.770 176.600 0.077 0.000 1.009 690 K CA -0.077 56.239 56.287 0.049 0.000 0.888 690 K CB 1.094 33.608 32.500 0.023 0.000 1.078 690 K HN 0.262 nan 8.250 nan 0.000 0.459 691 A N 3.329 126.188 122.820 0.064 0.000 2.615 691 A HA 0.022 4.340 4.320 -0.004 0.000 0.230 691 A C -0.632 177.012 177.584 0.100 0.000 1.062 691 A CA 0.594 52.678 52.037 0.078 0.000 0.758 691 A CB -0.313 18.652 19.000 -0.057 0.000 0.995 691 A HN 0.907 nan 8.150 nan 0.000 0.511 692 H N -0.166 118.912 119.070 0.013 0.000 2.991 692 H HA 0.479 5.033 4.556 -0.004 0.000 0.304 692 H C -1.275 174.043 175.328 -0.017 0.000 1.040 692 H CA -0.580 55.464 56.048 -0.007 0.000 1.410 692 H CB 0.640 30.403 29.762 0.002 0.000 1.529 692 H HN 0.649 nan 8.280 nan 0.000 0.509 693 c N 4.269 122.672 118.600 -0.327 0.000 2.303 693 c HA 0.472 5.040 4.570 -0.004 0.000 0.326 693 c C -0.069 173.795 174.090 -0.377 0.000 1.285 693 c CA -0.513 55.666 56.329 -0.250 0.000 1.675 693 c CB 0.135 42.545 42.510 -0.167 0.000 2.289 693 c HN 0.884 nan 8.230 nan 0.000 0.512 694 E N 2.842 122.874 120.200 -0.279 0.000 2.275 694 E HA 0.409 4.757 4.350 -0.004 0.000 0.270 694 E C -1.229 175.106 176.600 -0.442 0.000 0.882 694 E CA -0.382 55.786 56.400 -0.387 0.000 0.758 694 E CB 1.080 30.536 29.700 -0.406 0.000 1.195 694 E HN 0.833 nan 8.360 nan 0.000 0.419 695 N N 3.031 121.465 118.700 -0.444 0.000 2.430 695 N HA 0.417 5.154 4.740 -0.004 0.000 0.292 695 N C -1.320 173.926 175.510 -0.440 0.000 1.051 695 N CA -0.339 52.532 53.050 -0.298 0.000 0.917 695 N CB 0.666 39.081 38.487 -0.120 0.000 1.164 695 N HN 0.176 nan 8.380 nan 0.000 0.484 696 F N -0.262 119.744 119.950 0.093 0.000 2.541 696 F HA 0.460 4.984 4.527 -0.004 0.000 0.331 696 F C 0.491 176.402 175.800 0.186 0.000 1.057 696 F CA -1.061 57.024 58.000 0.142 0.000 0.975 696 F CB 1.256 40.364 39.000 0.180 0.000 1.246 696 F HN 0.268 nan 8.300 nan 0.000 0.484 697 N N 1.713 120.643 118.700 0.383 0.000 2.455 697 N HA 0.537 5.274 4.740 -0.004 0.000 0.280 697 N C -1.290 174.375 175.510 0.258 0.000 1.055 697 N CA -0.320 52.881 53.050 0.253 0.000 0.961 697 N CB 1.460 40.051 38.487 0.173 0.000 1.121 697 N HN 0.307 nan 8.380 nan 0.000 0.476 698 L N 1.853 123.161 121.223 0.141 0.000 2.354 698 L HA 0.544 4.881 4.340 -0.004 0.000 0.269 698 L C -0.719 176.149 176.870 -0.004 0.000 1.005 698 L CA -0.611 54.240 54.840 0.019 0.000 0.819 698 L CB 1.560 43.605 42.059 -0.024 0.000 1.311 698 L HN 0.267 nan 8.230 nan 0.000 0.423 699 L N 3.656 124.854 121.223 -0.041 0.000 2.342 699 L HA 0.511 4.848 4.340 -0.004 0.000 0.276 699 L C -0.744 176.099 176.870 -0.044 0.000 0.997 699 L CA -0.013 54.812 54.840 -0.025 0.000 0.838 699 L CB 1.304 43.360 42.059 -0.005 0.000 1.224 699 L HN 0.373 nan 8.230 nan 0.000 0.416 700 L N 6.103 127.303 121.223 -0.038 0.000 2.265 700 L HA 0.468 4.805 4.340 -0.004 0.000 0.288 700 L C -1.882 174.978 176.870 -0.016 0.000 1.058 700 L CA -1.794 53.026 54.840 -0.034 0.000 0.809 700 L CB 1.188 43.224 42.059 -0.040 0.000 1.179 700 L HN 0.342 nan 8.230 nan 0.000 0.429 701 P HA 0.010 nan 4.420 nan 0.000 0.265 701 P C 0.654 177.946 177.300 -0.013 0.000 1.193 701 P CA -0.175 62.916 63.100 -0.016 0.000 0.765 701 P CB 1.012 32.698 31.700 -0.023 0.000 0.823 702 S N 2.105 117.800 115.700 -0.009 0.000 2.372 702 S HA -0.155 4.312 4.470 -0.004 0.000 0.227 702 S C 0.773 175.358 174.600 -0.025 0.000 1.044 702 S CA 0.830 59.029 58.200 -0.003 0.000 1.050 702 S CB -1.127 62.074 63.200 0.002 0.000 0.901 702 S HN 0.578 nan 8.310 nan 0.000 0.447 703 c N 1.977 120.551 118.600 -0.044 0.000 2.319 703 c HA 0.899 5.466 4.570 -0.004 0.000 0.335 703 c C 0.005 174.031 174.090 -0.106 0.000 1.274 703 c CA -0.884 55.395 56.329 -0.083 0.000 1.806 703 c CB 0.552 43.024 42.510 -0.064 0.000 2.329 703 c HN 0.419 nan 8.230 nan 0.000 0.524 704 V N 2.650 122.457 119.914 -0.177 0.000 3.048 704 V HA 0.277 4.395 4.120 -0.004 0.000 0.303 704 V C 0.252 176.199 176.094 -0.244 0.000 1.214 704 V CA -0.461 61.732 62.300 -0.179 0.000 0.984 704 V CB 1.831 33.564 31.823 -0.149 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.812 120.900 120.200 -0.186 0.000 2.013 705 E HA -0.058 4.289 4.350 -0.004 0.000 0.194 705 E C 0.180 176.640 176.600 -0.232 0.000 0.973 705 E CA 0.687 56.978 56.400 -0.182 0.000 0.842 705 E CB 0.082 29.709 29.700 -0.122 0.000 0.801 705 E HN 0.780 nan 8.360 nan 0.000 0.476 706 D N -0.179 120.095 120.400 -0.211 0.000 2.383 706 D HA -0.002 4.635 4.640 -0.004 0.000 0.252 706 D C 0.248 176.284 176.300 -0.439 0.000 1.166 706 D CA 0.203 54.051 54.000 -0.252 0.000 0.879 706 D CB 1.083 41.773 40.800 -0.184 0.000 1.164 706 D HN 0.113 nan 8.370 nan 0.000 0.462 707 S N 1.597 116.976 115.700 -0.535 0.000 2.619 707 S HA -0.044 4.423 4.470 -0.004 0.000 0.238 707 S C 1.971 176.020 174.600 -0.918 0.000 1.068 707 S CA 0.428 58.014 58.200 -1.024 0.000 0.926 707 S CB -0.536 62.421 63.200 -0.405 0.000 0.864 707 S HN 0.321 nan 8.310 nan 0.000 0.493 708 V N 2.423 122.072 119.914 -0.441 0.000 2.287 708 V HA 0.001 4.119 4.120 -0.004 0.000 0.248 708 V C 1.433 177.407 176.094 -0.199 0.000 1.053 708 V CA 1.698 63.809 62.300 -0.316 0.000 1.027 708 V CB -2.339 29.357 31.823 -0.213 0.000 0.646 708 V HN 0.725 nan 8.190 nan 0.000 0.447 709 T N -0.469 113.977 114.554 -0.181 0.000 2.727 709 T HA 0.483 4.830 4.350 -0.004 0.000 0.295 709 T C -2.254 172.471 174.700 0.042 0.000 0.915 709 T CA -1.716 60.359 62.100 -0.043 0.000 1.066 709 T CB 0.582 69.432 68.868 -0.030 0.000 0.891 709 T HN 0.356 nan 8.240 nan 0.000 0.516 710 P HA 0.098 nan 4.420 nan 0.000 0.269 710 P C 0.294 177.745 177.300 0.253 0.000 1.211 710 P CA -0.378 62.930 63.100 0.346 0.000 0.781 710 P CB 0.260 32.071 31.700 0.186 0.000 0.877 711 I N -1.515 119.179 120.570 0.206 0.000 2.371 711 I HA 0.358 4.525 4.170 -0.004 0.000 0.290 711 I C 0.416 176.554 176.117 0.036 0.000 1.028 711 I CA -0.611 60.737 61.300 0.080 0.000 1.345 711 I CB 0.819 38.821 38.000 0.003 0.000 1.407 711 I HN 0.221 nan 8.210 nan 0.000 0.501 712 T N 4.885 119.490 114.554 0.085 0.000 2.904 712 T HA 0.571 4.918 4.350 -0.004 0.000 0.290 712 T C -0.467 174.340 174.700 0.178 0.000 1.018 712 T CA -0.757 61.426 62.100 0.140 0.000 1.075 712 T CB 1.958 70.895 68.868 0.115 0.000 0.986 712 T HN 0.708 nan 8.240 nan 0.000 0.523 713 L N 2.722 124.110 121.223 0.274 0.000 2.491 713 L HA 0.609 4.946 4.340 -0.004 0.000 0.267 713 L C -0.691 176.331 176.870 0.254 0.000 0.971 713 L CA -0.968 54.046 54.840 0.289 0.000 0.857 713 L CB 1.384 43.697 42.059 0.424 0.000 1.226 713 L HN 0.976 nan 8.230 nan 0.000 0.408 714 R N 3.788 124.421 120.500 0.221 0.000 2.732 714 R HA 0.826 5.164 4.340 -0.004 0.000 0.278 714 R C -1.539 174.907 176.300 0.243 0.000 0.976 714 R CA -0.745 55.494 56.100 0.232 0.000 0.963 714 R CB 1.444 31.860 30.300 0.194 0.000 1.150 714 R HN 0.420 nan 8.270 nan 0.000 0.478 715 L N -0.234 121.160 121.223 0.285 0.000 2.362 715 L HA 0.610 4.948 4.340 -0.004 0.000 0.275 715 L C -0.866 176.191 176.870 0.313 0.000 0.998 715 L CA -0.989 54.010 54.840 0.265 0.000 0.820 715 L CB 1.748 43.950 42.059 0.238 0.000 1.270 715 L HN 0.729 nan 8.230 nan 0.000 0.415 716 N N 3.345 122.191 118.700 0.244 0.000 2.434 716 N HA 0.517 5.255 4.740 -0.004 0.000 0.272 716 N C -1.329 174.257 175.510 0.128 0.000 1.040 716 N CA -0.375 52.728 53.050 0.089 0.000 0.956 716 N CB 0.780 39.339 38.487 0.119 0.000 1.108 716 N HN 0.689 nan 8.380 nan 0.000 0.481 717 F N 0.807 120.703 119.950 -0.089 0.000 2.578 717 F HA 0.743 5.268 4.527 -0.004 0.000 0.311 717 F C -0.168 175.594 175.800 -0.063 0.000 1.094 717 F CA -0.684 57.292 58.000 -0.039 0.000 0.923 717 F CB 1.240 40.252 39.000 0.020 0.000 1.230 717 F HN 0.445 nan 8.300 nan 0.000 0.450 718 T N 0.377 114.899 114.554 -0.052 0.000 2.565 718 T HA 0.667 5.015 4.350 -0.004 0.000 0.253 718 T C -1.382 173.343 174.700 0.041 0.000 0.868 718 T CA -0.918 61.100 62.100 -0.136 0.000 1.213 718 T CB 1.160 69.951 68.868 -0.127 0.000 1.518 718 T HN 0.773 nan 8.240 nan 0.000 0.474 719 L N 1.472 122.702 121.223 0.011 0.000 2.442 719 L HA 0.644 4.982 4.340 -0.004 0.000 0.261 719 L C -0.454 176.426 176.870 0.018 0.000 1.000 719 L CA -0.847 54.015 54.840 0.037 0.000 0.882 719 L CB 1.632 43.715 42.059 0.040 0.000 1.207 719 L HN 0.553 nan 8.230 nan 0.000 0.443 720 V N 3.154 123.079 119.914 0.018 0.000 2.904 720 V HA 0.740 4.858 4.120 -0.004 0.000 0.305 720 V C 1.214 177.312 176.094 0.007 0.000 1.067 720 V CA 1.286 63.592 62.300 0.010 0.000 1.044 720 V CB 1.444 33.273 31.823 0.009 0.000 1.050 720 V HN 0.926 nan 8.190 nan 0.000 0.475 721 G N 3.159 111.963 108.800 0.006 0.000 5.426 721 G HA2 -0.360 3.597 3.960 -0.004 0.000 0.297 721 G HA3 -0.360 3.597 3.960 -0.004 0.000 0.297 721 G C 0.589 175.493 174.900 0.006 0.000 1.422 721 G CA 0.549 45.651 45.100 0.004 0.000 0.938 721 G HN 1.408 nan 8.290 nan 0.000 0.754 722 K N -0.262 120.138 120.400 0.001 0.000 3.230 722 K HA -0.150 4.167 4.320 -0.004 0.000 0.285 722 K C -2.469 174.119 176.600 -0.019 0.000 1.196 722 K CA 1.059 57.346 56.287 0.000 0.000 0.838 722 K CB -1.579 30.933 32.500 0.020 0.000 1.262 722 K HN 0.694 nan 8.250 nan 0.000 0.492 723 P HA 0.380 nan 4.420 nan 0.000 0.301 723 P C -0.659 176.566 177.300 -0.125 0.000 1.348 723 P CA -0.328 62.705 63.100 -0.112 0.000 0.826 723 P CB 0.925 32.569 31.700 -0.094 0.000 0.945 724 L N 5.331 126.451 121.223 -0.171 0.000 2.529 724 L HA 0.181 4.519 4.340 -0.004 0.000 0.258 724 L C 0.619 177.393 176.870 -0.162 0.000 1.032 724 L CA -0.668 54.094 54.840 -0.130 0.000 0.899 724 L CB 1.400 43.411 42.059 -0.080 0.000 1.174 724 L HN 0.302 nan 8.230 nan 0.000 0.458 725 L N 2.481 123.609 121.223 -0.158 0.000 5.323 725 L HA -0.345 3.993 4.340 -0.004 0.000 0.053 725 L C 0.682 177.415 176.870 -0.227 0.000 3.097 725 L CA 2.167 56.921 54.840 -0.144 0.000 1.447 725 L CB -1.044 40.964 42.059 -0.084 0.000 2.992 725 L HN 0.656 nan 8.230 nan 0.000 0.968 726 A N -0.945 121.784 122.820 -0.151 0.000 2.267 726 A HA 0.497 4.815 4.320 -0.004 0.000 0.271 726 A C 0.214 177.662 177.584 -0.226 0.000 1.131 726 A CA 0.486 52.452 52.037 -0.119 0.000 0.818 726 A CB -0.233 18.777 19.000 0.016 0.000 1.118 726 A HN 0.530 nan 8.150 nan 0.000 0.501 727 F N -0.537 119.419 119.950 0.011 0.000 2.873 727 F HA 0.238 4.762 4.527 -0.004 0.000 0.289 727 F C 1.660 177.469 175.800 0.015 0.000 1.206 727 F CA 0.114 58.122 58.000 0.013 0.000 1.401 727 F CB 0.005 39.014 39.000 0.016 0.000 0.996 727 F HN 0.505 nan 8.300 nan 0.000 0.511 728 R N 0.254 120.819 120.500 0.109 0.000 2.334 728 R HA 0.037 4.374 4.340 -0.004 0.000 0.216 728 R C 1.616 177.942 176.300 0.042 0.000 0.905 728 R CA 0.424 56.569 56.100 0.075 0.000 1.064 728 R CB -0.038 30.291 30.300 0.048 0.000 1.046 728 R HN 0.362 nan 8.270 nan 0.000 0.508 729 N N 0.534 119.254 118.700 0.034 0.000 2.482 729 N HA -0.004 4.733 4.740 -0.004 0.000 0.179 729 N C 1.300 176.839 175.510 0.049 0.000 1.039 729 N CA 0.200 53.265 53.050 0.026 0.000 0.884 729 N CB 0.138 38.627 38.487 0.005 0.000 1.113 729 N HN 0.043 nan 8.380 nan 0.000 0.440 730 L N -0.519 120.750 121.223 0.077 0.000 4.438 730 L HA -0.369 3.969 4.340 -0.004 0.000 0.053 730 L C 0.379 177.288 176.870 0.065 0.000 3.682 730 L CA 2.261 57.164 54.840 0.105 0.000 1.233 730 L CB -1.018 41.109 42.059 0.113 0.000 3.182 730 L HN 0.532 nan 8.230 nan 0.000 0.885 731 R N 1.807 122.342 120.500 0.058 0.000 2.239 731 R HA 0.535 4.873 4.340 -0.004 0.000 0.332 731 R C -2.826 173.502 176.300 0.046 0.000 0.988 731 R CA -1.541 54.588 56.100 0.049 0.000 0.859 731 R CB 1.507 31.837 30.300 0.050 0.000 1.148 731 R HN 0.013 nan 8.270 nan 0.000 0.482 732 P HA 0.380 nan 4.420 nan 0.000 0.279 732 P C -0.742 176.597 177.300 0.065 0.000 1.276 732 P CA -0.752 62.380 63.100 0.052 0.000 0.801 732 P CB 1.065 32.789 31.700 0.041 0.000 1.127 733 M N -1.847 117.807 119.600 0.091 0.000 3.419 733 M HA 0.492 4.970 4.480 -0.004 0.000 0.287 733 M C -1.815 174.571 176.300 0.143 0.000 1.333 733 M CA -0.893 54.467 55.300 0.099 0.000 0.843 733 M CB 1.010 33.677 32.600 0.110 0.000 1.686 733 M HN -0.071 nan 8.290 nan 0.000 0.491 734 L N 1.046 122.340 121.223 0.118 0.000 2.365 734 L HA 0.942 5.279 4.340 -0.004 0.000 0.267 734 L C 0.395 177.356 176.870 0.151 0.000 1.033 734 L CA -0.914 54.012 54.840 0.143 0.000 0.802 734 L CB 1.623 43.697 42.059 0.024 0.000 1.267 734 L HN 0.950 nan 8.230 nan 0.000 0.457 735 A N 0.335 123.226 122.820 0.120 0.000 2.301 735 A HA 0.654 4.971 4.320 -0.004 0.000 0.287 735 A C 1.041 178.308 177.584 -0.529 0.000 1.274 735 A CA 0.445 52.434 52.037 -0.080 0.000 0.865 735 A CB 0.119 19.046 19.000 -0.122 0.000 1.324 735 A HN 0.858 nan 8.150 nan 0.000 0.508 736 A N -0.712 121.538 122.820 -0.951 0.000 1.832 736 A HA -0.001 4.316 4.320 -0.004 0.000 0.214 736 A C 0.691 178.028 177.584 -0.413 0.000 1.200 736 A CA 1.581 53.163 52.037 -0.758 0.000 0.610 736 A CB -0.756 17.793 19.000 -0.753 0.000 0.842 736 A HN 0.660 nan 8.150 nan 0.000 0.444 737 D N 1.021 121.210 120.400 -0.351 0.000 2.541 737 D HA 0.422 5.060 4.640 -0.004 0.000 0.231 737 D C -0.341 175.845 176.300 -0.190 0.000 1.163 737 D CA 0.628 54.487 54.000 -0.234 0.000 1.077 737 D CB -0.068 40.611 40.800 -0.202 0.000 1.110 737 D HN 0.363 nan 8.370 nan 0.000 0.499 738 A N 2.732 125.440 122.820 -0.187 0.000 2.412 738 A HA 0.173 4.491 4.320 -0.004 0.000 0.334 738 A C 0.548 178.008 177.584 -0.207 0.000 1.419 738 A CA -0.729 51.219 52.037 -0.148 0.000 0.930 738 A CB 0.482 19.363 19.000 -0.198 0.000 1.149 738 A HN 0.125 nan 8.150 nan 0.000 0.515 739 Q N 2.165 121.854 119.800 -0.185 0.000 2.945 739 Q HA 0.067 4.404 4.340 -0.004 0.000 0.323 739 Q C 0.814 176.302 176.000 -0.855 0.000 1.188 739 Q CA -0.025 55.507 55.803 -0.452 0.000 0.929 739 Q CB -0.197 28.295 28.738 -0.411 0.000 1.531 739 Q HN 0.762 nan 8.270 nan 0.000 0.444 740 R N -0.234 119.922 120.500 -0.572 0.000 2.261 740 R HA -0.135 4.203 4.340 -0.004 0.000 0.236 740 R C -0.114 175.879 176.300 -0.512 0.000 1.141 740 R CA 0.970 56.694 56.100 -0.627 0.000 1.001 740 R CB 0.053 29.791 30.300 -0.936 0.000 0.866 740 R HN 0.249 nan 8.270 nan 0.000 0.468 741 Y N 0.019 120.093 120.300 -0.377 0.000 2.594 741 Y HA 0.218 4.765 4.550 -0.004 0.000 0.342 741 Y C -0.553 175.175 175.900 -0.286 0.000 1.010 741 Y CA -0.933 57.040 58.100 -0.211 0.000 1.270 741 Y CB 0.165 38.543 38.460 -0.137 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.087 121.206 119.950 0.282 0.000 2.444 742 F HA 0.555 5.080 4.527 -0.004 0.000 0.342 742 F C 0.283 176.189 175.800 0.177 0.000 1.121 742 F CA -0.977 57.143 58.000 0.200 0.000 0.997 742 F CB 1.815 40.914 39.000 0.166 0.000 1.130 742 F HN 0.120 nan 8.300 nan 0.000 0.454 743 T N 2.526 117.285 114.554 0.342 0.000 2.841 743 T HA 0.827 5.174 4.350 -0.004 0.000 0.283 743 T C -0.764 174.069 174.700 0.221 0.000 1.000 743 T CA -0.751 61.499 62.100 0.250 0.000 0.977 743 T CB 1.763 70.749 68.868 0.197 0.000 0.979 743 T HN 0.681 nan 8.240 nan 0.000 0.446 744 A N 2.120 125.072 122.820 0.219 0.000 2.386 744 A HA 0.836 5.154 4.320 -0.004 0.000 0.311 744 A C 0.105 177.946 177.584 0.428 0.000 1.068 744 A CA -0.853 51.320 52.037 0.226 0.000 0.743 744 A CB 1.186 20.213 19.000 0.044 0.000 1.258 744 A HN 0.877 nan 8.150 nan 0.000 0.429 745 S N 1.304 117.246 115.700 0.404 0.000 2.608 745 S HA 0.732 5.199 4.470 -0.004 0.000 0.291 745 S C -0.539 174.230 174.600 0.282 0.000 1.146 745 S CA -0.632 57.758 58.200 0.318 0.000 1.043 745 S CB 1.242 64.556 63.200 0.191 0.000 1.037 745 S HN 0.935 nan 8.310 nan 0.000 0.520 746 L N 2.671 123.803 121.223 -0.153 0.000 2.345 746 L HA 0.519 4.857 4.340 -0.004 0.000 0.274 746 L C -2.760 173.939 176.870 -0.285 0.000 0.999 746 L CA -2.380 52.169 54.840 -0.485 0.000 0.849 746 L CB 2.088 43.393 42.059 -1.255 0.000 1.220 746 L HN 0.529 nan 8.230 nan 0.000 0.422 747 P HA 0.342 nan 4.420 nan 0.000 0.277 747 P C -1.240 175.976 177.300 -0.138 0.000 1.276 747 P CA -0.093 63.023 63.100 0.027 0.000 0.788 747 P CB 0.640 32.380 31.700 0.066 0.000 1.114 748 F N -1.635 118.298 119.950 -0.030 0.000 2.579 748 F HA 0.316 4.841 4.527 -0.004 0.000 0.324 748 F C 0.939 176.705 175.800 -0.057 0.000 1.058 748 F CA -0.880 57.112 58.000 -0.014 0.000 0.944 748 F CB 0.969 40.003 39.000 0.057 0.000 1.245 748 F HN 0.236 nan 8.300 nan 0.000 0.477 749 E N 2.423 122.671 120.200 0.080 0.000 1.775 749 E HA 0.062 4.410 4.350 -0.004 0.000 0.266 749 E C -0.359 176.144 176.600 -0.161 0.000 1.191 749 E CA -0.522 55.847 56.400 -0.051 0.000 1.048 749 E CB 0.149 29.791 29.700 -0.098 0.000 1.081 749 E HN 0.389 nan 8.360 nan 0.000 0.434 750 K N 3.269 123.604 120.400 -0.108 0.000 2.524 750 K HA -0.055 4.262 4.320 -0.004 0.000 0.279 750 K C -0.607 175.877 176.600 -0.194 0.000 0.993 750 K CA 0.008 56.188 56.287 -0.179 0.000 1.030 750 K CB 0.220 32.591 32.500 -0.215 0.000 0.891 750 K HN 0.322 nan 8.250 nan 0.000 0.488 751 N N 3.559 122.121 118.700 -0.230 0.000 2.406 751 N HA -0.026 4.711 4.740 -0.004 0.000 0.274 751 N C 0.049 175.542 175.510 -0.028 0.000 1.249 751 N CA -0.014 52.945 53.050 -0.152 0.000 0.951 751 N CB -0.290 38.136 38.487 -0.100 0.000 1.241 751 N HN 0.615 nan 8.380 nan 0.000 0.485 752 c N 0.865 119.468 118.600 0.005 0.000 2.396 752 c HA 0.687 5.254 4.570 -0.004 0.000 0.334 752 c C 0.933 175.081 174.090 0.097 0.000 1.313 752 c CA -0.321 56.059 56.329 0.084 0.000 1.719 752 c CB -1.549 41.035 42.510 0.124 0.000 1.893 752 c HN 0.696 nan 8.230 nan 0.000 0.589 753 G N -0.762 108.067 108.800 0.048 0.000 2.357 753 G HA2 0.427 4.384 3.960 -0.004 0.000 0.643 753 G HA3 0.427 4.384 3.960 -0.004 0.000 0.643 753 G C 0.301 175.219 174.900 0.030 0.000 1.358 753 G CA -0.336 44.788 45.100 0.041 0.000 0.986 753 G HN 1.139 nan 8.290 nan 0.000 0.620 754 A N -0.296 122.540 122.820 0.026 0.000 2.248 754 A HA 0.437 4.754 4.320 -0.004 0.000 0.210 754 A C 1.094 178.694 177.584 0.027 0.000 1.174 754 A CA 2.489 54.538 52.037 0.021 0.000 0.750 754 A CB -0.613 18.398 19.000 0.018 0.000 0.780 754 A HN 1.772 nan 8.150 nan 0.000 0.478 755 D N -5.596 114.834 120.400 0.049 0.000 3.435 755 D HA 0.226 4.863 4.640 -0.004 0.000 0.352 755 D C 0.276 176.658 176.300 0.137 0.000 1.460 755 D CA 0.212 54.249 54.000 0.062 0.000 0.935 755 D CB -0.163 40.670 40.800 0.055 0.000 1.468 755 D HN 0.323 nan 8.370 nan 0.000 0.573 756 H N -1.307 117.756 119.070 -0.011 0.000 3.642 756 H HA -0.204 4.349 4.556 -0.004 0.000 0.185 756 H C 0.925 176.247 175.328 -0.011 0.000 0.992 756 H CA 1.521 57.563 56.048 -0.010 0.000 1.216 756 H CB -1.130 28.627 29.762 -0.008 0.000 1.055 756 H HN 0.783 nan 8.280 nan 0.000 0.351 757 I N -1.718 118.783 120.570 -0.114 0.000 5.405 757 I HA -0.351 3.817 4.170 -0.004 0.000 0.184 757 I C 0.694 176.718 176.117 -0.156 0.000 1.786 757 I CA 1.292 62.507 61.300 -0.141 0.000 1.490 757 I CB -1.914 35.996 38.000 -0.150 0.000 3.212 757 I HN 0.848 nan 8.210 nan 0.000 0.244 758 c N 2.155 120.646 118.600 -0.182 0.000 2.594 758 c HA -0.158 4.409 4.570 -0.004 0.000 0.258 758 c C 0.683 174.717 174.090 -0.094 0.000 1.074 758 c CA 0.498 56.778 56.329 -0.083 0.000 2.731 758 c CB -1.614 40.882 42.510 -0.024 0.000 1.633 758 c HN 0.506 nan 8.230 nan 0.000 0.391 759 Q N 1.756 121.482 119.800 -0.124 0.000 2.322 759 Q HA 0.249 4.586 4.340 -0.004 0.000 0.256 759 Q C 0.004 175.991 176.000 -0.022 0.000 0.960 759 Q CA 0.093 55.849 55.803 -0.078 0.000 0.934 759 Q CB 1.171 29.848 28.738 -0.101 0.000 1.200 759 Q HN 0.537 nan 8.270 nan 0.000 0.435 760 D N 2.723 123.120 120.400 -0.004 0.000 2.393 760 D HA 0.102 4.739 4.640 -0.004 0.000 0.232 760 D C -0.354 175.958 176.300 0.020 0.000 1.192 760 D CA 0.035 54.048 54.000 0.021 0.000 0.882 760 D CB 0.285 41.106 40.800 0.034 0.000 1.038 760 D HN 0.273 nan 8.370 nan 0.000 0.499 761 N N 3.496 122.208 118.700 0.019 0.000 2.573 761 N HA 0.342 5.079 4.740 -0.004 0.000 0.262 761 N C -1.604 173.936 175.510 0.050 0.000 1.029 761 N CA -0.403 52.661 53.050 0.022 0.000 0.882 761 N CB 0.560 39.045 38.487 -0.002 0.000 1.204 761 N HN 0.201 nan 8.380 nan 0.000 0.519 762 L N 1.540 122.819 121.223 0.093 0.000 2.431 762 L HA 0.789 5.127 4.340 -0.004 0.000 0.266 762 L C 0.679 177.678 176.870 0.214 0.000 0.978 762 L CA -1.137 53.807 54.840 0.174 0.000 0.822 762 L CB 2.255 44.432 42.059 0.198 0.000 1.310 762 L HN 0.463 nan 8.230 nan 0.000 0.409 763 G N 1.817 110.837 108.800 0.367 0.000 2.597 763 G HA2 0.865 4.822 3.960 -0.004 0.000 0.317 763 G HA3 0.865 4.822 3.960 -0.004 0.000 0.317 763 G C -1.502 173.761 174.900 0.605 0.000 1.230 763 G CA -0.598 44.791 45.100 0.482 0.000 0.996 763 G HN 0.600 nan 8.290 nan 0.000 0.490 764 I N -1.040 119.836 120.570 0.510 0.000 2.842 764 I HA 0.677 4.844 4.170 -0.004 0.000 0.297 764 I C -1.340 174.686 176.117 -0.153 0.000 1.380 764 I CA -0.587 60.769 61.300 0.093 0.000 1.018 764 I CB 2.194 40.242 38.000 0.081 0.000 1.311 764 I HN 0.712 nan 8.210 nan 0.000 0.439 765 S N 5.596 120.945 115.700 -0.584 0.000 2.542 765 S HA 0.791 5.258 4.470 -0.004 0.000 0.276 765 S C -1.537 172.594 174.600 -0.783 0.000 1.148 765 S CA -0.489 56.984 58.200 -1.212 0.000 0.886 765 S CB 1.235 63.952 63.200 -0.805 0.000 1.109 765 S HN 0.658 nan 8.310 nan 0.000 0.458 766 F N 1.234 120.747 119.950 -0.729 0.000 2.643 766 F HA 0.939 5.463 4.527 -0.004 0.000 0.314 766 F C -0.303 175.365 175.800 -0.220 0.000 1.096 766 F CA -0.561 57.230 58.000 -0.350 0.000 0.953 766 F CB 1.132 40.001 39.000 -0.219 0.000 1.345 766 F HN 0.640 nan 8.300 nan 0.000 0.468 767 S N -0.094 115.604 115.700 -0.003 0.000 2.840 767 S HA 0.811 5.279 4.470 -0.004 0.000 0.307 767 S C -1.821 172.570 174.600 -0.349 0.000 1.180 767 S CA -0.750 57.391 58.200 -0.100 0.000 0.846 767 S CB 1.786 64.967 63.200 -0.032 0.000 1.233 767 S HN 0.564 nan 8.310 nan 0.000 0.548 768 F N 1.437 121.464 119.950 0.128 0.000 2.552 768 F HA 0.489 5.013 4.527 -0.004 0.000 0.369 768 F C -2.719 173.104 175.800 0.038 0.000 1.112 768 F CA -1.948 56.094 58.000 0.071 0.000 1.129 768 F CB 1.309 40.347 39.000 0.064 0.000 1.360 768 F HN 0.276 nan 8.300 nan 0.000 0.473 769 P HA 0.223 nan 4.420 nan 0.000 0.264 769 P C 0.890 178.244 177.300 0.089 0.000 1.236 769 P CA 0.758 63.914 63.100 0.092 0.000 0.811 769 P CB 0.474 32.205 31.700 0.050 0.000 0.840 770 G N 2.691 111.536 108.800 0.075 0.000 2.179 770 G HA2 -0.286 3.671 3.960 -0.004 0.000 0.260 770 G HA3 -0.286 3.671 3.960 -0.004 0.000 0.260 770 G C 0.008 174.935 174.900 0.046 0.000 0.977 770 G CA -0.182 44.949 45.100 0.051 0.000 0.641 770 G HN 0.597 nan 8.290 nan 0.000 0.533 771 L N 1.882 123.147 121.223 0.069 0.000 2.638 771 L HA 0.476 4.813 4.340 -0.004 0.000 0.273 771 L C 0.839 177.712 176.870 0.004 0.000 1.147 771 L CA 0.226 55.080 54.840 0.022 0.000 0.941 771 L CB -0.020 42.043 42.059 0.006 0.000 1.251 771 L HN 0.349 nan 8.230 nan 0.000 0.479 772 K N 3.265 123.658 120.400 -0.012 0.000 2.414 772 K HA 0.472 4.790 4.320 -0.004 0.000 0.251 772 K C 0.571 177.154 176.600 -0.028 0.000 1.037 772 K CA 0.062 56.342 56.287 -0.011 0.000 0.980 772 K CB 0.971 33.469 32.500 -0.003 0.000 1.280 772 K HN 0.628 nan 8.250 nan 0.000 0.451 773 S N 2.517 118.196 115.700 -0.036 0.000 1.630 773 S HA -0.231 4.237 4.470 -0.004 0.000 0.242 773 S C 0.074 174.627 174.600 -0.079 0.000 0.845 773 S CA 1.037 59.211 58.200 -0.045 0.000 1.337 773 S CB -1.349 61.836 63.200 -0.025 0.000 1.633 773 S HN 1.476 nan 8.310 nan 0.000 0.521 774 L N 0.709 121.877 121.223 -0.091 0.000 3.521 774 L HA -0.077 4.260 4.340 -0.004 0.000 0.653 774 L C -0.496 176.285 176.870 -0.148 0.000 1.077 774 L CA 1.540 56.303 54.840 -0.129 0.000 1.144 774 L CB -1.565 40.387 42.059 -0.178 0.000 1.447 774 L HN 0.910 nan 8.230 nan 0.000 0.811 775 L N 2.265 123.421 121.223 -0.112 0.000 2.334 775 L HA 0.897 5.235 4.340 -0.004 0.000 0.272 775 L C 0.105 176.911 176.870 -0.107 0.000 1.020 775 L CA -0.797 53.967 54.840 -0.127 0.000 0.812 775 L CB 1.615 43.653 42.059 -0.034 0.000 1.264 775 L HN 0.053 nan 8.230 nan 0.000 0.439 776 V N 3.522 123.357 119.914 -0.132 0.000 2.370 776 V HA 0.614 4.732 4.120 -0.004 0.000 0.257 776 V C 0.976 177.102 176.094 0.053 0.000 1.064 776 V CA 0.904 63.183 62.300 -0.034 0.000 0.975 776 V CB -0.649 31.186 31.823 0.020 0.000 1.067 776 V HN 1.206 nan 8.190 nan 0.000 0.485 777 G N 3.888 112.708 108.800 0.034 0.000 4.220 777 G HA2 -0.114 3.844 3.960 -0.004 0.000 0.197 777 G HA3 -0.114 3.844 3.960 -0.004 0.000 0.197 777 G C 0.357 175.270 174.900 0.022 0.000 1.518 777 G CA 0.196 45.324 45.100 0.046 0.000 0.955 777 G HN 0.578 nan 8.290 nan 0.000 0.353 778 S N 0.540 116.249 115.700 0.015 0.000 2.686 778 S HA 0.496 4.963 4.470 -0.004 0.000 0.270 778 S C 0.428 175.018 174.600 -0.016 0.000 1.194 778 S CA 0.252 58.452 58.200 -0.000 0.000 0.990 778 S CB 0.473 63.674 63.200 0.002 0.000 1.029 778 S HN 0.830 nan 8.310 nan 0.000 0.560 779 N N 0.082 118.768 118.700 -0.022 0.000 2.671 779 N HA -0.172 4.565 4.740 -0.004 0.000 0.261 779 N C 0.186 175.676 175.510 -0.035 0.000 1.053 779 N CA 0.302 53.331 53.050 -0.036 0.000 0.732 779 N CB -1.192 37.260 38.487 -0.058 0.000 0.887 779 N HN 0.502 nan 8.380 nan 0.000 0.546 780 L N 0.430 121.640 121.223 -0.020 0.000 2.049 780 L HA -0.043 4.295 4.340 -0.004 0.000 0.203 780 L C 1.368 178.230 176.870 -0.013 0.000 1.074 780 L CA 1.036 55.869 54.840 -0.012 0.000 0.749 780 L CB 0.051 42.107 42.059 -0.005 0.000 0.907 780 L HN 0.447 nan 8.230 nan 0.000 0.439 781 E N 0.786 120.976 120.200 -0.016 0.000 2.366 781 E HA 0.245 4.592 4.350 -0.004 0.000 0.266 781 E C -0.915 175.680 176.600 -0.008 0.000 1.051 781 E CA -0.554 55.838 56.400 -0.014 0.000 0.884 781 E CB 1.361 31.047 29.700 -0.024 0.000 1.006 781 E HN 0.101 nan 8.360 nan 0.000 0.417 782 L N 3.701 124.938 121.223 0.023 0.000 2.345 782 L HA 0.338 4.676 4.340 -0.004 0.000 0.274 782 L C -1.484 175.465 176.870 0.131 0.000 0.999 782 L CA -0.739 54.116 54.840 0.026 0.000 0.849 782 L CB 1.089 43.129 42.059 -0.032 0.000 1.220 782 L HN 0.495 nan 8.230 nan 0.000 0.422 783 N N 4.400 123.180 118.700 0.133 0.000 2.411 783 N HA 0.526 5.264 4.740 -0.004 0.000 0.259 783 N C -0.421 175.249 175.510 0.266 0.000 1.103 783 N CA -0.083 53.057 53.050 0.151 0.000 0.954 783 N CB 1.595 40.134 38.487 0.086 0.000 1.085 783 N HN 0.634 nan 8.380 nan 0.000 0.485 784 A N 1.897 124.807 122.820 0.149 0.000 2.287 784 A HA 0.295 4.612 4.320 -0.004 0.000 0.317 784 A C 0.015 177.499 177.584 -0.166 0.000 1.220 784 A CA -0.750 51.242 52.037 -0.074 0.000 0.835 784 A CB 0.621 19.486 19.000 -0.225 0.000 1.180 784 A HN 0.638 nan 8.150 nan 0.000 0.500 785 E N 2.896 122.983 120.200 -0.188 0.000 2.028 785 E HA 0.384 4.732 4.350 -0.004 0.000 0.266 785 E C -1.300 175.157 176.600 -0.239 0.000 0.962 785 E CA -0.260 56.024 56.400 -0.193 0.000 0.784 785 E CB 0.950 30.578 29.700 -0.120 0.000 1.114 785 E HN 0.459 nan 8.360 nan 0.000 0.414 786 V N 6.398 126.075 119.914 -0.394 0.000 2.383 786 V HA 0.368 4.485 4.120 -0.004 0.000 0.275 786 V C -0.246 175.559 176.094 -0.482 0.000 1.036 786 V CA -0.405 61.659 62.300 -0.392 0.000 0.889 786 V CB 1.329 32.869 31.823 -0.472 0.000 0.985 786 V HN 0.813 nan 8.190 nan 0.000 0.459 787 M N 6.703 126.062 119.600 -0.402 0.000 2.573 787 M HA 0.771 5.248 4.480 -0.004 0.000 0.309 787 M C -1.364 174.600 176.300 -0.559 0.000 1.202 787 M CA -0.390 54.636 55.300 -0.458 0.000 0.975 787 M CB 1.951 34.256 32.600 -0.492 0.000 1.600 787 M HN 0.569 nan 8.290 nan 0.000 0.479 788 V N 2.605 122.173 119.914 -0.576 0.000 3.147 788 V HA 0.548 4.665 4.120 -0.004 0.000 0.299 788 V C -1.912 174.015 176.094 -0.279 0.000 1.302 788 V CA -0.548 61.486 62.300 -0.443 0.000 1.015 788 V CB 2.441 34.188 31.823 -0.128 0.000 1.086 788 V HN 0.949 nan 8.190 nan 0.000 0.437 789 W N 2.459 123.889 121.300 0.218 0.000 2.703 789 W HA 0.567 5.225 4.660 -0.004 0.000 0.359 789 W C -0.158 176.458 176.519 0.161 0.000 1.168 789 W CA -0.631 56.829 57.345 0.191 0.000 1.177 789 W CB 1.632 31.128 29.460 0.060 0.000 1.434 789 W HN 0.644 nan 8.180 nan 0.000 0.618 790 N N 0.965 119.762 118.700 0.162 0.000 2.824 790 N HA 0.067 4.804 4.740 -0.004 0.000 0.224 790 N C -0.877 174.579 175.510 -0.090 0.000 1.418 790 N CA 0.014 52.965 53.050 -0.165 0.000 0.743 790 N CB -0.049 37.915 38.487 -0.871 0.000 1.395 790 N HN 0.103 nan 8.380 nan 0.000 0.548 791 D N 0.186 120.582 120.400 -0.006 0.000 2.336 791 D HA 0.272 4.909 4.640 -0.004 0.000 0.228 791 D C 0.816 177.099 176.300 -0.028 0.000 1.120 791 D CA 0.382 54.366 54.000 -0.027 0.000 0.839 791 D CB 0.437 41.207 40.800 -0.049 0.000 0.932 791 D HN 0.579 nan 8.370 nan 0.000 0.509 792 G N -0.472 108.307 108.800 -0.034 0.000 3.135 792 G HA2 0.316 4.273 3.960 -0.004 0.000 0.278 792 G HA3 0.316 4.273 3.960 -0.004 0.000 0.278 792 G C -0.603 174.293 174.900 -0.006 0.000 1.302 792 G CA -0.492 44.602 45.100 -0.010 0.000 0.880 792 G HN -0.062 nan 8.290 nan 0.000 0.574 793 E N 0.302 120.522 120.200 0.033 0.000 2.458 793 E HA 0.116 4.464 4.350 -0.004 0.000 0.264 793 E C -0.390 176.217 176.600 0.011 0.000 1.097 793 E CA 0.013 56.451 56.400 0.062 0.000 0.973 793 E CB 0.267 30.019 29.700 0.086 0.000 0.963 793 E HN 0.245 nan 8.360 nan 0.000 0.451 794 D N 1.311 121.720 120.400 0.013 0.000 2.450 794 D HA 0.050 4.687 4.640 -0.004 0.000 0.247 794 D C -0.588 175.725 176.300 0.020 0.000 1.162 794 D CA 0.286 54.246 54.000 -0.067 0.000 0.879 794 D CB 0.334 41.053 40.800 -0.135 0.000 1.163 794 D HN 0.343 nan 8.370 nan 0.000 0.472 795 S N 2.138 117.832 115.700 -0.011 0.000 2.475 795 S HA 0.294 4.761 4.470 -0.004 0.000 0.281 795 S C 0.298 174.951 174.600 0.088 0.000 1.198 795 S CA -0.558 57.714 58.200 0.120 0.000 1.063 795 S CB 0.819 64.118 63.200 0.165 0.000 0.972 795 S HN 0.340 nan 8.310 nan 0.000 0.486 796 Y N 3.360 123.718 120.300 0.096 0.000 2.226 796 Y HA 0.338 4.885 4.550 -0.004 0.000 0.281 796 Y C 2.413 178.364 175.900 0.085 0.000 1.107 796 Y CA 1.048 59.201 58.100 0.089 0.000 1.109 796 Y CB -0.667 37.836 38.460 0.072 0.000 1.047 796 Y HN 0.801 nan 8.280 nan 0.000 0.494 797 G N 0.062 109.019 108.800 0.263 0.000 3.530 797 G HA2 0.036 3.994 3.960 -0.004 0.000 0.269 797 G HA3 0.036 3.994 3.960 -0.004 0.000 0.269 797 G C 0.123 175.091 174.900 0.113 0.000 1.314 797 G CA -0.046 45.149 45.100 0.158 0.000 1.441 797 G HN 0.162 nan 8.290 nan 0.000 0.595 798 T N 1.248 115.872 114.554 0.115 0.000 2.891 798 T HA 0.278 4.625 4.350 -0.004 0.000 0.296 798 T C 0.878 175.593 174.700 0.025 0.000 1.025 798 T CA 0.894 63.050 62.100 0.094 0.000 1.149 798 T CB 0.139 69.091 68.868 0.140 0.000 1.007 798 T HN 0.467 nan 8.240 nan 0.000 0.528 799 T N 3.122 117.690 114.554 0.024 0.000 2.912 799 T HA 0.677 5.024 4.350 -0.004 0.000 0.288 799 T C -0.733 173.945 174.700 -0.036 0.000 1.030 799 T CA -1.072 61.019 62.100 -0.016 0.000 1.020 799 T CB 1.543 70.416 68.868 0.007 0.000 1.056 799 T HN 0.545 nan 8.240 nan 0.000 0.480 800 I N 2.709 123.229 120.570 -0.083 0.000 2.497 800 I HA 0.515 4.682 4.170 -0.004 0.000 0.284 800 I C -0.194 175.778 176.117 -0.243 0.000 1.060 800 I CA -0.205 61.009 61.300 -0.144 0.000 1.071 800 I CB 1.636 39.581 38.000 -0.091 0.000 1.216 800 I HN 1.079 nan 8.210 nan 0.000 0.442 801 T N 3.686 118.083 114.554 -0.260 0.000 2.888 801 T HA 0.751 5.098 4.350 -0.004 0.000 0.284 801 T C -0.511 173.990 174.700 -0.331 0.000 1.017 801 T CA -0.389 61.599 62.100 -0.186 0.000 1.022 801 T CB 1.032 69.880 68.868 -0.035 0.000 1.013 801 T HN 0.233 nan 8.240 nan 0.000 0.465 802 F N 1.112 121.134 119.950 0.119 0.000 2.556 802 F HA 0.645 5.170 4.527 -0.004 0.000 0.327 802 F C 0.755 176.628 175.800 0.121 0.000 1.059 802 F CA -0.888 57.188 58.000 0.126 0.000 0.953 802 F CB 2.340 41.422 39.000 0.136 0.000 1.227 802 F HN 0.819 nan 8.300 nan 0.000 0.478 803 S N 0.753 116.631 115.700 0.297 0.000 2.473 803 S HA 0.779 5.247 4.470 -0.004 0.000 0.307 803 S C -1.284 173.427 174.600 0.184 0.000 1.094 803 S CA -0.508 57.786 58.200 0.158 0.000 1.070 803 S CB 0.826 64.102 63.200 0.126 0.000 1.019 803 S HN 0.820 nan 8.310 nan 0.000 0.480 804 H N -0.055 119.109 119.070 0.158 0.000 3.046 804 H HA 0.744 5.297 4.556 -0.004 0.000 0.361 804 H C -3.363 172.152 175.328 0.311 0.000 1.235 804 H CA -2.011 54.118 56.048 0.135 0.000 1.146 804 H CB 0.691 30.448 29.762 -0.009 0.000 1.859 804 H HN 0.411 nan 8.280 nan 0.000 0.548 805 P HA 0.029 nan 4.420 nan 0.000 0.270 805 P C 0.643 178.266 177.300 0.539 0.000 1.223 805 P CA 0.207 63.497 63.100 0.318 0.000 0.785 805 P CB 0.848 32.668 31.700 0.200 0.000 0.923 806 A N 2.614 125.596 122.820 0.269 0.000 2.042 806 A HA -0.143 4.174 4.320 -0.004 0.000 0.222 806 A C 2.157 180.004 177.584 0.439 0.000 1.167 806 A CA 2.033 54.185 52.037 0.191 0.000 0.649 806 A CB -1.808 17.073 19.000 -0.199 0.000 0.809 806 A HN 0.688 nan 8.150 nan 0.000 0.457 807 G N -1.038 107.956 108.800 0.324 0.000 2.916 807 G HA2 0.347 4.305 3.960 -0.004 0.000 0.205 807 G HA3 0.347 4.305 3.960 -0.004 0.000 0.205 807 G C 0.172 175.221 174.900 0.249 0.000 1.163 807 G CA 0.909 46.155 45.100 0.244 0.000 0.821 807 G HN 0.971 nan 8.290 nan 0.000 0.515 808 L N -4.500 116.933 121.223 0.351 0.000 2.710 808 L HA 0.842 5.180 4.340 -0.004 0.000 0.260 808 L C -0.714 176.242 176.870 0.143 0.000 0.993 808 L CA -1.005 53.962 54.840 0.212 0.000 0.877 808 L CB 1.365 43.490 42.059 0.110 0.000 1.461 808 L HN -0.181 nan 8.230 nan 0.000 0.413 809 S N -0.765 114.983 115.700 0.080 0.000 2.685 809 S HA 0.600 5.067 4.470 -0.004 0.000 0.282 809 S C -1.726 172.759 174.600 -0.192 0.000 1.159 809 S CA -0.627 57.538 58.200 -0.058 0.000 0.833 809 S CB 1.429 64.619 63.200 -0.017 0.000 1.151 809 S HN 0.758 nan 8.310 nan 0.000 0.485 810 Y N 2.790 122.772 120.300 -0.530 0.000 2.304 810 Y HA 0.573 5.120 4.550 -0.004 0.000 0.328 810 Y C 0.169 175.847 175.900 -0.369 0.000 1.123 810 Y CA -0.461 57.166 58.100 -0.789 0.000 1.218 810 Y CB 0.547 38.535 38.460 -0.788 0.000 1.207 810 Y HN 0.659 nan 8.280 nan 0.000 0.495 811 R N 5.215 125.045 120.500 -1.117 0.000 2.621 811 R HA 0.315 4.653 4.340 -0.004 0.000 0.292 811 R C -1.817 173.809 176.300 -1.124 0.000 0.969 811 R CA -0.928 54.666 56.100 -0.843 0.000 0.887 811 R CB 0.961 31.017 30.300 -0.408 0.000 1.180 811 R HN 0.706 nan 8.270 nan 0.000 0.450 812 Y N 2.904 122.743 120.300 -0.769 0.000 2.702 812 Y HA -0.046 4.502 4.550 -0.004 0.000 0.336 812 Y C 0.815 176.550 175.900 -0.275 0.000 1.235 812 Y CA 0.427 58.272 58.100 -0.424 0.000 1.492 812 Y CB 0.990 39.348 38.460 -0.170 0.000 1.308 812 Y HN 0.516 nan 8.280 nan 0.000 0.589 813 V N 4.637 124.110 119.914 -0.734 0.000 2.374 813 V HA 0.012 4.130 4.120 -0.004 0.000 0.241 813 V C 1.280 177.128 176.094 -0.409 0.000 1.034 813 V CA 1.016 63.037 62.300 -0.465 0.000 1.037 813 V CB -1.308 30.312 31.823 -0.338 0.000 0.682 813 V HN 1.150 nan 8.190 nan 0.000 0.463 814 A N 0.632 123.019 122.820 -0.720 0.000 2.667 814 A HA -0.206 4.112 4.320 -0.004 0.000 0.298 814 A C 0.292 177.845 177.584 -0.052 0.000 1.483 814 A CA 0.758 52.724 52.037 -0.119 0.000 0.738 814 A CB -1.702 17.460 19.000 0.270 0.000 1.067 814 A HN 0.541 nan 8.150 nan 0.000 0.451 815 E N -1.449 118.694 120.200 -0.095 0.000 2.227 815 E HA 0.662 5.009 4.350 -0.004 0.000 0.268 815 E C 1.090 177.684 176.600 -0.009 0.000 0.990 815 E CA 0.401 56.775 56.400 -0.043 0.000 0.856 815 E CB 1.778 31.445 29.700 -0.055 0.000 1.159 815 E HN 0.852 nan 8.360 nan 0.000 0.401 816 G N 0.426 109.227 108.800 0.002 0.000 3.958 816 G HA2 -0.163 3.795 3.960 -0.004 0.000 0.127 816 G HA3 -0.163 3.795 3.960 -0.004 0.000 0.127 816 G C 0.928 175.835 174.900 0.012 0.000 1.260 816 G CA 0.323 45.432 45.100 0.015 0.000 1.105 816 G HN 0.510 nan 8.290 nan 0.000 0.431 817 Q N 0.666 120.473 119.800 0.011 0.000 2.250 817 Q HA -0.242 4.096 4.340 -0.004 0.000 0.218 817 Q C -0.047 175.959 176.000 0.011 0.000 1.021 817 Q CA 2.411 58.221 55.803 0.012 0.000 0.933 817 Q CB -0.240 28.503 28.738 0.009 0.000 0.993 817 Q HN 0.599 nan 8.270 nan 0.000 0.415 818 K N -1.465 118.940 120.400 0.008 0.000 2.335 818 K HA 0.247 4.564 4.320 -0.004 0.000 0.365 818 K C -1.653 174.950 176.600 0.005 0.000 1.490 818 K CA -0.217 56.075 56.287 0.008 0.000 1.129 818 K CB 0.255 32.761 32.500 0.008 0.000 1.406 818 K HN -0.010 nan 8.250 nan 0.000 0.487 819 Q N 0.987 120.789 119.800 0.004 0.000 2.353 819 Q HA 0.754 5.092 4.340 -0.004 0.000 0.275 819 Q C -0.797 175.204 176.000 0.001 0.000 1.029 819 Q CA -0.977 54.826 55.803 0.001 0.000 0.848 819 Q CB 2.793 31.530 28.738 -0.002 0.000 1.390 819 Q HN 0.883 nan 8.270 nan 0.000 0.401 820 G N 0.908 109.708 108.800 0.000 0.000 2.345 820 G HA2 0.033 3.990 3.960 -0.004 0.000 0.310 820 G HA3 0.033 3.990 3.960 -0.004 0.000 0.310 820 G C -1.399 173.501 174.900 -0.001 0.000 1.476 820 G CA -0.779 44.320 45.100 -0.002 0.000 0.978 820 G HN 0.437 nan 8.290 nan 0.000 0.656 821 Q N -0.207 119.590 119.800 -0.005 0.000 2.324 821 Q HA 0.484 4.821 4.340 -0.004 0.000 0.373 821 Q C -0.137 175.857 176.000 -0.009 0.000 0.909 821 Q CA -0.260 55.540 55.803 -0.005 0.000 1.135 821 Q CB 1.135 29.868 28.738 -0.008 0.000 1.313 821 Q HN 0.486 nan 8.270 nan 0.000 0.417 822 L N -1.344 119.876 121.223 -0.004 0.000 2.363 822 L HA 0.508 4.845 4.340 -0.004 0.000 0.239 822 L C -0.737 176.141 176.870 0.013 0.000 1.172 822 L CA -0.935 53.902 54.840 -0.005 0.000 1.126 822 L CB 1.035 43.089 42.059 -0.009 0.000 1.616 822 L HN 0.072 nan 8.230 nan 0.000 0.457 823 R N -0.386 120.129 120.500 0.025 0.000 2.698 823 R HA 0.259 4.596 4.340 -0.004 0.000 0.266 823 R C -0.508 175.808 176.300 0.025 0.000 1.026 823 R CA 1.284 57.413 56.100 0.047 0.000 1.102 823 R CB 0.319 30.649 30.300 0.049 0.000 0.978 823 R HN 0.670 nan 8.270 nan 0.000 0.436 824 S N 2.934 118.650 115.700 0.027 0.000 2.822 824 S HA 0.199 4.666 4.470 -0.004 0.000 0.251 824 S C -0.954 173.672 174.600 0.043 0.000 0.946 824 S CA -0.539 57.679 58.200 0.030 0.000 1.377 824 S CB 0.469 63.683 63.200 0.023 0.000 1.230 824 S HN 0.431 nan 8.310 nan 0.000 0.671 825 L N 2.747 123.989 121.223 0.031 0.000 2.349 825 L HA 0.490 4.828 4.340 -0.004 0.000 0.278 825 L C -0.247 176.656 176.870 0.055 0.000 0.996 825 L CA -0.649 54.188 54.840 -0.005 0.000 0.825 825 L CB 1.122 43.119 42.059 -0.104 0.000 1.243 825 L HN 0.293 nan 8.230 nan 0.000 0.412 826 H N 5.602 124.660 119.070 -0.020 0.000 2.864 826 H HA 0.438 4.991 4.556 -0.004 0.000 0.281 826 H C -1.285 173.988 175.328 -0.093 0.000 1.093 826 H CA -0.365 55.708 56.048 0.042 0.000 1.453 826 H CB 0.868 30.728 29.762 0.163 0.000 1.462 826 H HN 0.463 nan 8.280 nan 0.000 0.480 827 L N 2.674 123.732 121.223 -0.274 0.000 2.388 827 L HA 0.511 4.848 4.340 -0.004 0.000 0.264 827 L C -0.531 176.201 176.870 -0.230 0.000 0.998 827 L CA -0.878 53.814 54.840 -0.246 0.000 0.817 827 L CB 1.933 43.813 42.059 -0.298 0.000 1.338 827 L HN 0.243 nan 8.230 nan 0.000 0.414 828 T N 1.087 115.552 114.554 -0.148 0.000 2.758 828 T HA 0.599 4.946 4.350 -0.004 0.000 0.285 828 T C -0.693 173.973 174.700 -0.057 0.000 0.981 828 T CA -0.185 61.866 62.100 -0.083 0.000 0.965 828 T CB 0.550 69.410 68.868 -0.014 0.000 0.927 828 T HN 0.742 nan 8.240 nan 0.000 0.448 829 c N 3.165 121.751 118.600 -0.024 0.000 2.417 829 c HA 0.691 5.259 4.570 -0.004 0.000 0.324 829 c C -0.448 173.667 174.090 0.042 0.000 1.240 829 c CA -1.005 55.308 56.329 -0.026 0.000 1.632 829 c CB 1.019 43.453 42.510 -0.126 0.000 2.241 829 c HN 0.766 nan 8.230 nan 0.000 0.499 830 D N 1.614 122.041 120.400 0.045 0.000 2.542 830 D HA 0.345 4.983 4.640 -0.004 0.000 0.252 830 D C -0.143 176.192 176.300 0.057 0.000 1.222 830 D CA 0.110 54.152 54.000 0.071 0.000 0.895 830 D CB 1.762 42.617 40.800 0.093 0.000 1.207 830 D HN 0.680 nan 8.370 nan 0.000 0.558 831 S N 0.850 116.572 115.700 0.037 0.000 2.600 831 S HA 0.820 5.287 4.470 -0.004 0.000 0.265 831 S C 0.031 174.642 174.600 0.018 0.000 1.325 831 S CA -0.562 57.612 58.200 -0.042 0.000 1.002 831 S CB 1.604 64.715 63.200 -0.148 0.000 0.921 831 S HN 0.619 nan 8.310 nan 0.000 0.554 832 A N 1.264 124.085 122.820 0.000 0.000 2.580 832 A HA 0.628 4.946 4.320 -0.004 0.000 0.301 832 A C -3.316 174.518 177.584 0.417 0.000 1.054 832 A CA -1.298 50.867 52.037 0.213 0.000 0.751 832 A CB 0.712 19.802 19.000 0.150 0.000 1.275 832 A HN 0.642 nan 8.150 nan 0.000 0.403 833 P HA 0.413 nan 4.420 nan 0.000 0.276 833 P C 0.092 177.570 177.300 0.296 0.000 1.235 833 P CA 0.094 63.520 63.100 0.543 0.000 0.772 833 P CB 1.491 33.370 31.700 0.297 0.000 0.871 834 V N 3.200 123.270 119.914 0.260 0.000 3.671 834 V HA 0.277 4.395 4.120 -0.004 0.000 0.202 834 V C 1.560 177.710 176.094 0.094 0.000 1.188 834 V CA 1.073 63.464 62.300 0.152 0.000 1.325 834 V CB -0.974 30.933 31.823 0.140 0.000 1.470 834 V HN 0.674 nan 8.190 nan 0.000 0.520 835 G N -0.335 108.517 108.800 0.087 0.000 2.750 835 G HA2 0.137 4.094 3.960 -0.004 0.000 0.250 835 G HA3 0.137 4.094 3.960 -0.004 0.000 0.250 835 G C 1.281 176.197 174.900 0.026 0.000 1.230 835 G CA 0.716 45.846 45.100 0.049 0.000 0.883 835 G HN 0.322 nan 8.290 nan 0.000 0.573 836 S N -0.984 114.725 115.700 0.015 0.000 2.365 836 S HA -0.154 4.313 4.470 -0.004 0.000 0.221 836 S C 1.199 175.795 174.600 -0.006 0.000 1.037 836 S CA 2.065 60.267 58.200 0.004 0.000 1.060 836 S CB -0.240 62.961 63.200 0.002 0.000 0.974 836 S HN 0.613 nan 8.310 nan 0.000 0.427 837 Q N -0.840 118.954 119.800 -0.010 0.000 3.021 837 Q HA 0.467 4.805 4.340 -0.004 0.000 0.234 837 Q C -0.167 175.812 176.000 -0.035 0.000 0.930 837 Q CA 0.198 55.985 55.803 -0.026 0.000 0.714 837 Q CB 0.761 29.488 28.738 -0.019 0.000 1.325 837 Q HN 0.634 nan 8.270 nan 0.000 0.473 838 G N 1.107 109.865 108.800 -0.070 0.000 3.826 838 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.194 838 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.194 838 G C 0.171 174.998 174.900 -0.121 0.000 2.087 838 G CA 0.017 45.061 45.100 -0.094 0.000 1.230 838 G HN 0.601 nan 8.290 nan 0.000 0.393 839 T N -0.244 114.310 114.554 -0.000 0.000 2.766 839 T HA 0.574 4.921 4.350 -0.004 0.000 0.295 839 T C -0.050 174.785 174.700 0.225 0.000 1.024 839 T CA 0.866 63.036 62.100 0.117 0.000 1.018 839 T CB 1.402 70.336 68.868 0.110 0.000 1.002 839 T HN 1.887 nan 8.240 nan 0.000 0.532 840 W N -1.216 119.976 121.300 -0.181 0.000 3.173 840 W HA 0.601 5.258 4.660 -0.005 0.000 0.313 840 W C -1.601 174.750 176.519 -0.279 0.000 1.228 840 W CA -1.357 55.890 57.345 -0.163 0.000 1.185 840 W CB 0.536 29.948 29.460 -0.079 0.000 1.390 840 W HN 0.834 nan 8.180 nan 0.000 0.568 841 S N 1.090 116.772 115.700 -0.029 0.000 2.451 841 S HA 0.724 5.192 4.470 -0.004 0.000 0.301 841 S C -0.372 174.221 174.600 -0.012 0.000 1.116 841 S CA -0.021 58.161 58.200 -0.030 0.000 1.093 841 S CB 0.623 63.857 63.200 0.058 0.000 1.017 841 S HN 0.697 nan 8.310 nan 0.000 0.482 842 T N 2.073 116.721 114.554 0.157 0.000 2.947 842 T HA 0.504 4.851 4.350 -0.004 0.000 0.337 842 T C 0.203 175.015 174.700 0.188 0.000 1.139 842 T CA -0.779 61.429 62.100 0.181 0.000 0.992 842 T CB 0.250 69.289 68.868 0.284 0.000 1.043 842 T HN 0.606 nan 8.240 nan 0.000 0.498 843 S N 1.517 117.271 115.700 0.091 0.000 2.592 843 S HA 0.546 5.013 4.470 -0.004 0.000 0.271 843 S C -0.055 174.550 174.600 0.009 0.000 1.326 843 S CA -0.806 57.423 58.200 0.048 0.000 1.024 843 S CB 0.513 63.735 63.200 0.037 0.000 0.921 843 S HN 0.847 nan 8.310 nan 0.000 0.527 844 c N 2.869 121.449 118.600 -0.035 0.000 3.171 844 c HA 0.428 4.996 4.570 -0.004 0.000 0.336 844 c C 0.103 174.120 174.090 -0.121 0.000 1.035 844 c CA -0.894 55.376 56.329 -0.100 0.000 1.361 844 c CB -0.315 42.103 42.510 -0.153 0.000 1.804 844 c HN 1.044 nan 8.230 nan 0.000 0.535 845 R N 2.183 122.634 120.500 -0.082 0.000 2.267 845 R HA 0.542 4.880 4.340 -0.004 0.000 0.319 845 R C -0.420 175.807 176.300 -0.122 0.000 1.067 845 R CA -0.297 55.760 56.100 -0.073 0.000 0.936 845 R CB 0.623 30.919 30.300 -0.007 0.000 1.006 845 R HN 0.689 nan 8.270 nan 0.000 0.452 846 I N 4.466 124.932 120.570 -0.174 0.000 2.849 846 I HA -0.179 3.989 4.170 -0.004 0.000 0.288 846 I C 1.258 177.296 176.117 -0.132 0.000 1.156 846 I CA 0.109 61.275 61.300 -0.224 0.000 1.394 846 I CB -0.342 37.494 38.000 -0.274 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.194 123.830 118.700 -0.107 0.000 2.002 847 N HA -0.243 4.495 4.740 -0.004 0.000 0.199 847 N C 1.037 176.571 175.510 0.040 0.000 1.067 847 N CA 1.952 55.011 53.050 0.015 0.000 0.870 847 N CB -0.086 38.505 38.487 0.173 0.000 1.073 847 N HN 0.721 nan 8.380 nan 0.000 0.432 848 H N -1.035 118.081 119.070 0.078 0.000 2.412 848 H HA 0.585 5.139 4.556 -0.004 0.000 0.239 848 H C -0.734 174.617 175.328 0.038 0.000 1.388 848 H CA -0.862 55.217 56.048 0.052 0.000 1.148 848 H CB -0.445 29.330 29.762 0.022 0.000 1.637 848 H HN 0.208 nan 8.280 nan 0.000 0.542 849 L N -2.759 118.483 121.223 0.032 0.000 3.207 849 L HA 0.465 4.802 4.340 -0.004 0.000 0.286 849 L C -1.528 175.351 176.870 0.016 0.000 0.968 849 L CA -1.293 53.578 54.840 0.052 0.000 1.023 849 L CB 0.711 42.801 42.059 0.051 0.000 1.564 849 L HN 0.068 nan 8.230 nan 0.000 0.384 850 I N 0.822 121.390 120.570 -0.003 0.000 2.664 850 I HA 0.457 4.624 4.170 -0.004 0.000 0.308 850 I C -1.053 175.089 176.117 0.042 0.000 0.984 850 I CA -0.243 61.012 61.300 -0.076 0.000 1.213 850 I CB 1.652 39.506 38.000 -0.243 0.000 1.379 850 I HN 0.615 nan 8.210 nan 0.000 0.501 851 F N 4.994 124.838 119.950 -0.176 0.000 2.434 851 F HA 0.483 5.007 4.527 -0.004 0.000 0.367 851 F C -0.011 175.721 175.800 -0.113 0.000 1.093 851 F CA -0.682 57.254 58.000 -0.107 0.000 1.085 851 F CB 0.364 39.325 39.000 -0.065 0.000 1.322 851 F HN 0.429 nan 8.300 nan 0.000 0.452 852 R N 2.964 123.363 120.500 -0.168 0.000 2.782 852 R HA 0.658 4.996 4.340 -0.004 0.000 0.258 852 R C 0.583 176.724 176.300 -0.265 0.000 1.055 852 R CA -0.151 55.813 56.100 -0.226 0.000 1.065 852 R CB 1.376 31.598 30.300 -0.130 0.000 1.172 852 R HN 0.824 nan 8.270 nan 0.000 0.510 853 G N 0.254 108.941 108.800 -0.187 0.000 2.586 853 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.308 853 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.308 853 G C 0.544 175.343 174.900 -0.168 0.000 1.317 853 G CA -0.018 45.000 45.100 -0.136 0.000 0.922 853 G HN 0.785 nan 8.290 nan 0.000 0.551 854 G N 0.016 108.764 108.800 -0.088 0.000 3.374 854 G HA2 0.609 4.567 3.960 -0.004 0.000 0.252 854 G HA3 0.609 4.567 3.960 -0.004 0.000 0.252 854 G C 0.603 175.496 174.900 -0.010 0.000 1.326 854 G CA 1.312 46.384 45.100 -0.047 0.000 1.133 854 G HN 1.694 nan 8.290 nan 0.000 0.528 855 A N 0.500 123.280 122.820 -0.066 0.000 2.363 855 A HA 0.607 4.924 4.320 -0.004 0.000 0.270 855 A C 0.380 178.069 177.584 0.176 0.000 1.121 855 A CA -0.554 51.509 52.037 0.043 0.000 0.800 855 A CB 0.457 19.491 19.000 0.057 0.000 1.052 855 A HN 0.576 nan 8.150 nan 0.000 0.493 856 Q N 1.293 121.224 119.800 0.217 0.000 2.248 856 Q HA 0.808 5.146 4.340 -0.004 0.000 0.263 856 Q C -0.721 175.380 176.000 0.168 0.000 1.007 856 Q CA -0.728 55.208 55.803 0.222 0.000 0.877 856 Q CB 1.651 30.419 28.738 0.049 0.000 1.315 856 Q HN 0.850 nan 8.270 nan 0.000 0.454 857 I N -1.906 118.685 120.570 0.035 0.000 2.752 857 I HA 0.619 4.786 4.170 -0.004 0.000 0.295 857 I C -1.214 174.847 176.117 -0.094 0.000 1.219 857 I CA -0.822 60.448 61.300 -0.050 0.000 1.030 857 I CB 2.730 40.645 38.000 -0.142 0.000 1.259 857 I HN 0.778 nan 8.210 nan 0.000 0.423 858 T N 2.200 116.721 114.554 -0.055 0.000 2.824 858 T HA 0.797 5.144 4.350 -0.004 0.000 0.282 858 T C -0.718 173.992 174.700 0.018 0.000 0.993 858 T CA -0.545 61.497 62.100 -0.096 0.000 0.967 858 T CB 1.437 70.226 68.868 -0.131 0.000 0.960 858 T HN 0.707 nan 8.240 nan 0.000 0.441 859 F N 0.991 120.875 119.950 -0.110 0.000 2.640 859 F HA 0.840 5.365 4.527 -0.004 0.000 0.324 859 F C -1.691 174.072 175.800 -0.060 0.000 1.077 859 F CA -1.976 55.972 58.000 -0.086 0.000 0.965 859 F CB 1.497 40.439 39.000 -0.097 0.000 1.351 859 F HN 0.670 nan 8.300 nan 0.000 0.487 860 L N 2.225 123.505 121.223 0.095 0.000 2.313 860 L HA 0.877 5.214 4.340 -0.004 0.000 0.283 860 L C -1.047 175.906 176.870 0.138 0.000 1.013 860 L CA -0.763 54.076 54.840 -0.001 0.000 0.816 860 L CB 1.414 43.468 42.059 -0.008 0.000 1.236 860 L HN 1.034 nan 8.230 nan 0.000 0.419 861 A N 3.290 126.162 122.820 0.086 0.000 2.335 861 A HA 0.718 5.035 4.320 -0.004 0.000 0.304 861 A C -0.614 177.062 177.584 0.154 0.000 1.118 861 A CA -0.398 51.764 52.037 0.209 0.000 0.757 861 A CB 1.472 20.555 19.000 0.138 0.000 1.188 861 A HN 0.602 nan 8.150 nan 0.000 0.460 862 T N 2.246 116.853 114.554 0.088 0.000 2.823 862 T HA 0.624 4.972 4.350 -0.004 0.000 0.279 862 T C -1.129 173.471 174.700 -0.167 0.000 0.998 862 T CA 0.149 62.258 62.100 0.015 0.000 0.994 862 T CB 0.246 69.072 68.868 -0.070 0.000 0.960 862 T HN 0.330 nan 8.240 nan 0.000 0.448 863 F N 2.245 122.145 119.950 -0.083 0.000 2.427 863 F HA 0.332 4.856 4.527 -0.004 0.000 0.348 863 F C 0.529 176.266 175.800 -0.106 0.000 1.125 863 F CA -1.341 56.587 58.000 -0.120 0.000 0.989 863 F CB 0.989 39.884 39.000 -0.176 0.000 1.165 863 F HN 0.384 nan 8.300 nan 0.000 0.442 864 D N 2.233 122.638 120.400 0.009 0.000 2.424 864 D HA 0.177 4.815 4.640 -0.004 0.000 0.244 864 D C -0.492 175.842 176.300 0.056 0.000 1.134 864 D CA 0.390 54.397 54.000 0.011 0.000 0.881 864 D CB 1.870 42.658 40.800 -0.020 0.000 1.191 864 D HN 0.269 nan 8.370 nan 0.000 0.445 865 V N 1.984 121.923 119.914 0.043 0.000 2.604 865 V HA 0.328 4.445 4.120 -0.004 0.000 0.305 865 V C -0.085 176.043 176.094 0.056 0.000 1.043 865 V CA -0.627 61.705 62.300 0.054 0.000 0.888 865 V CB 1.894 33.728 31.823 0.018 0.000 0.995 865 V HN 0.685 nan 8.190 nan 0.000 0.429 866 S N 6.504 122.253 115.700 0.082 0.000 2.576 866 S HA 0.396 4.863 4.470 -0.004 0.000 0.276 866 S C -1.786 172.862 174.600 0.081 0.000 1.339 866 S CA -0.673 57.577 58.200 0.084 0.000 1.039 866 S CB 1.198 64.460 63.200 0.103 0.000 0.902 866 S HN 0.668 nan 8.310 nan 0.000 0.516 867 P HA 0.012 nan 4.420 nan 0.000 0.220 867 P C 0.308 177.677 177.300 0.116 0.000 1.148 867 P CA 1.099 64.250 63.100 0.085 0.000 0.803 867 P CB 0.083 31.827 31.700 0.073 0.000 0.782 868 K N -0.006 120.462 120.400 0.113 0.000 3.045 868 K HA 0.449 4.767 4.320 -0.004 0.000 0.214 868 K C -0.629 176.051 176.600 0.132 0.000 1.213 868 K CA -0.563 55.798 56.287 0.124 0.000 1.111 868 K CB -0.271 32.288 32.500 0.098 0.000 1.454 868 K HN -0.133 nan 8.250 nan 0.000 0.498 869 A N 2.029 124.946 122.820 0.161 0.000 2.437 869 A HA 0.236 4.553 4.320 -0.004 0.000 0.303 869 A C -0.111 177.590 177.584 0.194 0.000 1.324 869 A CA -0.503 51.629 52.037 0.159 0.000 0.983 869 A CB 0.248 19.327 19.000 0.133 0.000 1.142 869 A HN 0.284 nan 8.150 nan 0.000 0.541 870 V N 4.701 124.698 119.914 0.138 0.000 2.421 870 V HA 0.349 4.466 4.120 -0.004 0.000 0.271 870 V C -0.070 176.099 176.094 0.125 0.000 1.031 870 V CA 0.487 62.856 62.300 0.115 0.000 1.032 870 V CB -0.722 31.140 31.823 0.064 0.000 1.009 870 V HN 0.842 nan 8.190 nan 0.000 0.477 871 L N 3.587 124.906 121.223 0.160 0.000 2.672 871 L HA 0.876 5.214 4.340 -0.004 0.000 0.256 871 L C 0.141 177.108 176.870 0.162 0.000 0.946 871 L CA -0.440 54.485 54.840 0.142 0.000 0.889 871 L CB 0.885 43.024 42.059 0.132 0.000 1.441 871 L HN 0.515 nan 8.230 nan 0.000 0.418 872 G N 0.358 109.222 108.800 0.107 0.000 2.794 872 G HA2 0.213 4.170 3.960 -0.004 0.000 0.249 872 G HA3 0.213 4.170 3.960 -0.004 0.000 0.249 872 G C 0.454 175.428 174.900 0.123 0.000 1.236 872 G CA 0.428 45.583 45.100 0.092 0.000 0.880 872 G HN 1.092 nan 8.290 nan 0.000 0.586 873 D N -1.297 119.160 120.400 0.095 0.000 2.384 873 D HA -0.073 4.564 4.640 -0.004 0.000 0.222 873 D C 0.847 177.175 176.300 0.047 0.000 0.976 873 D CA 0.802 54.858 54.000 0.094 0.000 0.915 873 D CB 0.088 40.918 40.800 0.051 0.000 0.896 873 D HN 0.389 nan 8.370 nan 0.000 0.523 874 R N -0.353 120.171 120.500 0.041 0.000 2.698 874 R HA 0.580 4.917 4.340 -0.004 0.000 0.275 874 R C -1.174 175.142 176.300 0.027 0.000 1.001 874 R CA -1.103 55.009 56.100 0.019 0.000 0.896 874 R CB 2.000 32.311 30.300 0.018 0.000 1.218 874 R HN 0.059 nan 8.270 nan 0.000 0.462 875 L N 0.774 122.005 121.223 0.013 0.000 2.376 875 L HA 0.596 4.934 4.340 -0.004 0.000 0.275 875 L C -0.894 176.001 176.870 0.042 0.000 0.987 875 L CA -0.907 53.950 54.840 0.028 0.000 0.828 875 L CB 1.402 43.467 42.059 0.009 0.000 1.249 875 L HN 0.522 nan 8.230 nan 0.000 0.409 876 L N 2.949 124.210 121.223 0.064 0.000 2.358 876 L HA 1.002 5.339 4.340 -0.004 0.000 0.268 876 L C -0.751 176.191 176.870 0.120 0.000 1.032 876 L CA -0.834 54.057 54.840 0.085 0.000 0.805 876 L CB 1.612 43.709 42.059 0.063 0.000 1.253 876 L HN 0.797 nan 8.230 nan 0.000 0.452 877 L N -1.554 119.772 121.223 0.171 0.000 2.556 877 L HA 0.934 5.272 4.340 -0.004 0.000 0.257 877 L C -0.254 176.809 176.870 0.322 0.000 0.955 877 L CA -0.150 54.816 54.840 0.210 0.000 0.850 877 L CB 1.428 43.574 42.059 0.145 0.000 1.398 877 L HN 0.998 nan 8.230 nan 0.000 0.412 878 T N -1.015 113.729 114.554 0.316 0.000 2.807 878 T HA 0.983 5.330 4.350 -0.004 0.000 0.277 878 T C -0.380 174.577 174.700 0.429 0.000 1.006 878 T CA -0.392 61.920 62.100 0.352 0.000 1.006 878 T CB 1.888 70.871 68.868 0.192 0.000 1.274 878 T HN 1.803 nan 8.240 nan 0.000 0.569 879 A N 1.823 124.851 122.820 0.346 0.000 2.684 879 A HA 0.580 4.898 4.320 -0.004 0.000 0.289 879 A C -0.882 176.742 177.584 0.068 0.000 1.139 879 A CA -0.906 51.195 52.037 0.107 0.000 0.793 879 A CB 0.122 19.265 19.000 0.238 0.000 1.334 879 A HN 0.681 nan 8.150 nan 0.000 0.408 880 N N 0.605 119.304 118.700 -0.001 0.000 2.497 880 N HA 0.363 5.101 4.740 -0.004 0.000 0.268 880 N C -0.565 174.939 175.510 -0.010 0.000 1.171 880 N CA 0.070 53.132 53.050 0.021 0.000 0.948 880 N CB 1.820 40.319 38.487 0.021 0.000 1.069 880 N HN 0.483 nan 8.380 nan 0.000 0.460 881 V N 1.360 121.299 119.914 0.041 0.000 2.588 881 V HA 0.798 4.915 4.120 -0.004 0.000 0.304 881 V C -0.629 175.510 176.094 0.075 0.000 1.042 881 V CA -0.241 62.090 62.300 0.050 0.000 0.877 881 V CB 1.305 33.179 31.823 0.085 0.000 0.996 881 V HN 0.926 nan 8.190 nan 0.000 0.425 882 S N 3.858 119.602 115.700 0.073 0.000 2.643 882 S HA 0.713 5.181 4.470 -0.004 0.000 0.270 882 S C -0.369 174.289 174.600 0.097 0.000 1.166 882 S CA -0.092 58.157 58.200 0.083 0.000 0.815 882 S CB 1.588 64.828 63.200 0.065 0.000 1.139 882 S HN 1.626 nan 8.310 nan 0.000 0.472 883 S N -0.216 115.544 115.700 0.101 0.000 2.681 883 S HA 0.404 4.871 4.470 -0.004 0.000 0.270 883 S C 0.958 175.625 174.600 0.111 0.000 1.209 883 S CA -0.049 58.223 58.200 0.121 0.000 0.988 883 S CB 0.649 63.924 63.200 0.124 0.000 1.006 883 S HN 0.960 nan 8.310 nan 0.000 0.558 884 E N 0.657 120.938 120.200 0.136 0.000 2.160 884 E HA -0.204 4.143 4.350 -0.004 0.000 0.195 884 E C 0.317 176.981 176.600 0.106 0.000 0.991 884 E CA 1.075 57.551 56.400 0.127 0.000 0.810 884 E CB -0.305 29.491 29.700 0.161 0.000 0.742 884 E HN 0.606 nan 8.360 nan 0.000 0.466 885 N N 2.030 120.791 118.700 0.102 0.000 2.482 885 N HA -0.005 4.733 4.740 -0.004 0.000 0.220 885 N C -0.581 174.965 175.510 0.059 0.000 1.255 885 N CA 0.152 53.246 53.050 0.073 0.000 0.850 885 N CB -0.417 38.110 38.487 0.066 0.000 1.127 885 N HN 0.194 nan 8.380 nan 0.000 0.475 886 N N -0.662 118.078 118.700 0.065 0.000 5.925 886 N HA -0.190 4.548 4.740 -0.004 0.000 0.361 886 N C -0.332 175.208 175.510 0.049 0.000 0.922 886 N CA 1.339 54.422 53.050 0.056 0.000 1.177 886 N CB -0.852 37.664 38.487 0.049 0.000 0.806 886 N HN 0.347 nan 8.380 nan 0.000 0.456 887 T N -2.262 112.317 114.554 0.042 0.000 3.149 887 T HA 0.569 4.916 4.350 -0.004 0.000 0.373 887 T C -1.897 172.819 174.700 0.027 0.000 1.364 887 T CA -1.300 60.822 62.100 0.037 0.000 1.110 887 T CB 1.303 70.194 68.868 0.038 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.086 nan 4.420 nan 0.000 0.228 888 P C 0.660 177.966 177.300 0.009 0.000 1.151 888 P CA 0.586 63.694 63.100 0.013 0.000 0.770 888 P CB 0.364 32.068 31.700 0.007 0.000 0.786 889 R N -2.768 117.739 120.500 0.012 0.000 3.404 889 R HA 0.416 4.753 4.340 -0.004 0.000 0.243 889 R C 0.992 177.299 176.300 0.011 0.000 1.474 889 R CA -0.501 55.604 56.100 0.008 0.000 1.018 889 R CB -0.217 30.085 30.300 0.003 0.000 1.568 889 R HN -0.320 nan 8.270 nan 0.000 0.498 890 T N 0.326 114.885 114.554 0.009 0.000 3.266 890 T HA -0.022 4.325 4.350 -0.004 0.000 0.215 890 T C 0.694 175.402 174.700 0.014 0.000 0.957 890 T CA 0.445 62.551 62.100 0.009 0.000 1.730 890 T CB -0.327 68.544 68.868 0.005 0.000 1.427 890 T HN 0.328 nan 8.240 nan 0.000 0.445 891 S N 2.840 118.548 115.700 0.013 0.000 2.430 891 S HA 0.172 4.639 4.470 -0.004 0.000 0.282 891 S C -0.058 174.557 174.600 0.026 0.000 1.186 891 S CA -0.692 57.519 58.200 0.017 0.000 1.060 891 S CB -0.225 62.983 63.200 0.013 0.000 0.966 891 S HN 0.111 nan 8.310 nan 0.000 0.501 892 K N 3.029 123.448 120.400 0.032 0.000 2.380 892 K HA 0.050 4.367 4.320 -0.004 0.000 0.267 892 K C 0.640 177.273 176.600 0.055 0.000 0.990 892 K CA 0.055 56.368 56.287 0.043 0.000 0.946 892 K CB 0.325 32.853 32.500 0.045 0.000 0.937 892 K HN 0.577 nan 8.250 nan 0.000 0.491 893 T N 1.387 115.984 114.554 0.071 0.000 3.383 893 T HA 0.123 4.471 4.350 -0.004 0.000 0.324 893 T C -0.288 174.489 174.700 0.127 0.000 1.822 893 T CA -0.588 61.569 62.100 0.095 0.000 1.424 893 T CB -0.618 68.311 68.868 0.102 0.000 1.093 893 T HN 0.593 nan 8.240 nan 0.000 0.748 894 T N 1.010 115.636 114.554 0.121 0.000 2.922 894 T HA 0.658 5.005 4.350 -0.004 0.000 0.285 894 T C -0.618 174.209 174.700 0.211 0.000 1.005 894 T CA -0.810 61.379 62.100 0.148 0.000 1.061 894 T CB 1.116 70.046 68.868 0.103 0.000 1.007 894 T HN 0.371 nan 8.240 nan 0.000 0.502 895 F N 2.913 122.911 119.950 0.079 0.000 2.536 895 F HA 0.488 5.013 4.527 -0.004 0.000 0.322 895 F C -0.508 175.319 175.800 0.044 0.000 1.144 895 F CA -0.670 57.342 58.000 0.020 0.000 0.924 895 F CB 1.738 40.714 39.000 -0.040 0.000 1.181 895 F HN 0.944 nan 8.300 nan 0.000 0.438 896 Q N 5.693 125.071 119.800 -0.703 0.000 2.496 896 Q HA 0.856 5.193 4.340 -0.004 0.000 0.286 896 Q C -2.043 173.587 176.000 -0.616 0.000 1.103 896 Q CA -1.286 54.280 55.803 -0.395 0.000 0.813 896 Q CB 3.166 31.829 28.738 -0.126 0.000 1.444 896 Q HN 0.800 nan 8.270 nan 0.000 0.443 897 L N -2.894 118.211 121.223 -0.198 0.000 2.612 897 L HA 0.642 4.979 4.340 -0.004 0.000 0.256 897 L C -1.407 175.492 176.870 0.047 0.000 0.949 897 L CA -0.734 54.038 54.840 -0.115 0.000 0.867 897 L CB 2.249 44.249 42.059 -0.098 0.000 1.417 897 L HN 0.853 nan 8.230 nan 0.000 0.414 898 E N 1.781 121.998 120.200 0.028 0.000 2.199 898 E HA 0.788 5.135 4.350 -0.004 0.000 0.269 898 E C -1.635 174.990 176.600 0.041 0.000 0.899 898 E CA -0.738 55.686 56.400 0.040 0.000 0.772 898 E CB 1.806 31.515 29.700 0.016 0.000 1.155 898 E HN 0.747 nan 8.360 nan 0.000 0.408 899 L N 4.867 126.107 121.223 0.029 0.000 2.354 899 L HA 0.513 4.851 4.340 -0.004 0.000 0.269 899 L C -2.333 174.525 176.870 -0.020 0.000 1.005 899 L CA -2.435 52.406 54.840 0.002 0.000 0.819 899 L CB 2.027 44.064 42.059 -0.036 0.000 1.311 899 L HN 0.432 nan 8.230 nan 0.000 0.423 900 P HA 0.092 nan 4.420 nan 0.000 0.271 900 P C -0.877 176.379 177.300 -0.073 0.000 1.226 900 P CA -0.026 63.054 63.100 -0.034 0.000 0.765 900 P CB 1.182 32.868 31.700 -0.023 0.000 0.835 901 V N 4.786 124.645 119.914 -0.092 0.000 2.547 901 V HA 0.416 4.534 4.120 -0.004 0.000 0.299 901 V C -0.121 175.828 176.094 -0.243 0.000 1.040 901 V CA -0.440 61.740 62.300 -0.200 0.000 0.913 901 V CB 1.284 32.958 31.823 -0.248 0.000 0.992 901 V HN 0.451 nan 8.190 nan 0.000 0.449 902 K N 4.427 124.623 120.400 -0.340 0.000 2.279 902 K HA 0.652 4.969 4.320 -0.004 0.000 0.238 902 K C -1.927 174.349 176.600 -0.539 0.000 1.084 902 K CA -0.743 55.392 56.287 -0.253 0.000 0.885 902 K CB 2.149 34.616 32.500 -0.056 0.000 1.319 902 K HN 0.588 nan 8.250 nan 0.000 0.494 903 Y N -0.458 119.872 120.300 0.050 0.000 2.504 903 Y HA 0.393 4.941 4.550 -0.004 0.000 0.344 903 Y C -0.462 175.538 175.900 0.166 0.000 1.023 903 Y CA -1.148 57.017 58.100 0.109 0.000 1.020 903 Y CB 2.061 40.603 38.460 0.137 0.000 1.282 903 Y HN 0.667 nan 8.280 nan 0.000 0.454 904 A N 2.054 125.029 122.820 0.259 0.000 2.425 904 A HA 0.682 4.999 4.320 -0.004 0.000 0.249 904 A C -0.782 176.914 177.584 0.187 0.000 1.084 904 A CA -0.170 51.981 52.037 0.190 0.000 0.781 904 A CB 0.206 19.287 19.000 0.136 0.000 1.019 904 A HN 0.528 nan 8.150 nan 0.000 0.490 905 V N 1.629 121.625 119.914 0.137 0.000 2.932 905 V HA 0.279 4.396 4.120 -0.004 0.000 0.307 905 V C -1.388 174.766 176.094 0.101 0.000 1.147 905 V CA -0.438 61.896 62.300 0.057 0.000 0.951 905 V CB 1.941 33.686 31.823 -0.131 0.000 1.031 905 V HN 0.842 nan 8.190 nan 0.000 0.426 906 Y N 2.072 122.357 120.300 -0.025 0.000 2.342 906 Y HA 0.651 5.198 4.550 -0.004 0.000 0.338 906 Y C 0.089 176.000 175.900 0.018 0.000 0.965 906 Y CA -0.032 58.071 58.100 0.006 0.000 1.159 906 Y CB 1.647 40.124 38.460 0.028 0.000 1.157 906 Y HN 0.685 nan 8.280 nan 0.000 0.486 907 T N 5.809 120.230 114.554 -0.221 0.000 2.906 907 T HA 0.528 4.875 4.350 -0.004 0.000 0.302 907 T C -1.102 173.537 174.700 -0.102 0.000 1.002 907 T CA -0.579 61.468 62.100 -0.088 0.000 0.988 907 T CB 0.898 69.700 68.868 -0.110 0.000 0.972 907 T HN 0.325 nan 8.240 nan 0.000 0.447 908 V N 2.942 122.850 119.914 -0.010 0.000 3.001 908 V HA 0.864 4.981 4.120 -0.004 0.000 0.314 908 V C -0.737 175.390 176.094 0.054 0.000 1.099 908 V CA -0.833 61.498 62.300 0.052 0.000 0.989 908 V CB 2.386 34.289 31.823 0.134 0.000 1.040 908 V HN 0.648 nan 8.190 nan 0.000 0.434 909 V N 2.089 122.027 119.914 0.040 0.000 2.777 909 V HA 0.772 4.890 4.120 -0.004 0.000 0.306 909 V C -0.639 175.476 176.094 0.035 0.000 1.112 909 V CA 0.131 62.443 62.300 0.021 0.000 0.917 909 V CB 2.362 34.174 31.823 -0.017 0.000 1.018 909 V HN 1.002 nan 8.190 nan 0.000 0.426 910 S N 3.646 119.386 115.700 0.066 0.000 2.677 910 S HA 0.671 5.138 4.470 -0.004 0.000 0.304 910 S C -0.503 174.199 174.600 0.170 0.000 1.108 910 S CA -0.093 58.149 58.200 0.070 0.000 0.944 910 S CB 2.007 65.216 63.200 0.015 0.000 1.127 910 S HN 1.192 nan 8.310 nan 0.000 0.511 911 S N 1.876 117.632 115.700 0.093 0.000 2.466 911 S HA 0.268 4.736 4.470 -0.004 0.000 0.313 911 S C -0.164 174.433 174.600 -0.005 0.000 1.078 911 S CA -0.502 57.674 58.200 -0.040 0.000 1.115 911 S CB -0.637 62.487 63.200 -0.127 0.000 1.006 911 S HN 0.795 nan 8.310 nan 0.000 0.487 912 H N 3.071 122.086 119.070 -0.092 0.000 3.092 912 H HA -0.025 4.529 4.556 -0.005 0.000 0.332 912 H C 1.353 176.676 175.328 -0.007 0.000 1.029 912 H CA 0.835 56.860 56.048 -0.039 0.000 1.376 912 H CB 0.709 30.453 29.762 -0.029 0.000 1.329 912 H HN 0.823 nan 8.280 nan 0.000 0.598 913 E N 3.219 123.346 120.200 -0.123 0.000 2.485 913 E HA -0.097 4.251 4.350 -0.004 0.000 0.194 913 E C 0.013 176.516 176.600 -0.162 0.000 1.098 913 E CA 0.169 56.525 56.400 -0.075 0.000 0.878 913 E CB 0.077 29.759 29.700 -0.029 0.000 0.939 913 E HN 0.639 nan 8.360 nan 0.000 0.503 914 Q N 1.244 120.833 119.800 -0.351 0.000 2.938 914 Q HA 0.154 4.492 4.340 -0.004 0.000 0.343 914 Q C -1.107 174.847 176.000 -0.077 0.000 1.185 914 Q CA -0.317 55.349 55.803 -0.229 0.000 0.939 914 Q CB -0.339 28.238 28.738 -0.269 0.000 1.480 914 Q HN 0.342 nan 8.270 nan 0.000 0.442 915 F N -1.291 118.546 119.950 -0.189 0.000 2.482 915 F HA 0.388 4.912 4.527 -0.005 0.000 0.331 915 F C -0.284 175.415 175.800 -0.168 0.000 1.115 915 F CA -0.813 57.060 58.000 -0.212 0.000 0.955 915 F CB 1.517 40.393 39.000 -0.206 0.000 1.136 915 F HN -0.224 nan 8.300 nan 0.000 0.452 916 T N 5.452 119.675 114.554 -0.551 0.000 3.176 916 T HA 0.138 4.485 4.350 -0.004 0.000 0.301 916 T C -0.160 174.214 174.700 -0.544 0.000 1.115 916 T CA -0.278 61.552 62.100 -0.449 0.000 1.027 916 T CB -0.496 68.282 68.868 -0.149 0.000 1.063 916 T HN 0.577 nan 8.240 nan 0.000 0.669 917 K N 3.032 122.944 120.400 -0.814 0.000 2.300 917 K HA 0.251 4.568 4.320 -0.004 0.000 0.264 917 K C 0.035 176.494 176.600 -0.234 0.000 1.083 917 K CA -0.697 55.293 56.287 -0.495 0.000 0.958 917 K CB 0.238 32.415 32.500 -0.539 0.000 1.318 917 K HN 0.713 nan 8.250 nan 0.000 0.448 918 Y N 3.601 123.779 120.300 -0.203 0.000 2.527 918 Y HA 0.212 4.759 4.550 -0.004 0.000 0.247 918 Y C -0.053 175.742 175.900 -0.174 0.000 1.138 918 Y CA -1.132 56.871 58.100 -0.162 0.000 1.228 918 Y CB -0.443 37.953 38.460 -0.106 0.000 1.252 918 Y HN 0.306 nan 8.280 nan 0.000 0.531 919 L N 2.558 123.396 121.223 -0.642 0.000 2.640 919 L HA 0.122 4.459 4.340 -0.004 0.000 0.300 919 L C -0.280 176.397 176.870 -0.321 0.000 1.259 919 L CA 0.043 54.561 54.840 -0.536 0.000 0.879 919 L CB -0.053 41.746 42.059 -0.432 0.000 1.125 919 L HN 0.615 nan 8.230 nan 0.000 0.507 920 N N 1.310 119.840 118.700 -0.283 0.000 3.043 920 N HA 0.167 4.905 4.740 -0.004 0.000 0.243 920 N C -0.140 175.235 175.510 -0.224 0.000 1.347 920 N CA -0.725 52.134 53.050 -0.317 0.000 0.896 920 N CB 0.031 38.453 38.487 -0.108 0.000 1.501 920 N HN 0.422 nan 8.380 nan 0.000 0.504 921 F N 0.708 120.667 119.950 0.016 0.000 2.451 921 F HA -0.004 4.520 4.527 -0.005 0.000 0.299 921 F C 1.707 177.516 175.800 0.014 0.000 1.101 921 F CA 0.832 58.856 58.000 0.040 0.000 1.436 921 F CB -0.207 38.824 39.000 0.052 0.000 1.074 921 F HN 0.544 nan 8.300 nan 0.000 0.553 922 S N 0.699 116.479 115.700 0.133 0.000 3.455 922 S HA 0.151 4.619 4.470 -0.004 0.000 0.288 922 S C -0.037 174.542 174.600 -0.035 0.000 1.231 922 S CA -0.427 57.800 58.200 0.044 0.000 1.031 922 S CB -0.095 63.114 63.200 0.015 0.000 1.570 922 S HN 0.327 nan 8.310 nan 0.000 0.519 923 E N 2.388 122.571 120.200 -0.029 0.000 3.037 923 E HA 0.304 4.651 4.350 -0.004 0.000 0.220 923 E C 0.757 177.305 176.600 -0.087 0.000 1.142 923 E CA -0.243 56.106 56.400 -0.085 0.000 0.888 923 E CB 0.324 30.003 29.700 -0.036 0.000 1.329 923 E HN 0.621 nan 8.360 nan 0.000 0.409 924 S N 1.917 117.558 115.700 -0.099 0.000 2.404 924 S HA 0.154 4.621 4.470 -0.004 0.000 0.223 924 S C 0.607 175.158 174.600 -0.080 0.000 1.040 924 S CA 0.135 58.287 58.200 -0.081 0.000 0.957 924 S CB 0.119 63.278 63.200 -0.068 0.000 0.826 924 S HN 0.282 nan 8.310 nan 0.000 0.491 925 E N 0.692 120.831 120.200 -0.101 0.000 2.412 925 E HA 0.527 4.874 4.350 -0.004 0.000 0.255 925 E C -1.229 175.316 176.600 -0.091 0.000 0.933 925 E CA -0.707 55.645 56.400 -0.079 0.000 0.823 925 E CB 0.884 30.544 29.700 -0.066 0.000 1.352 925 E HN 0.278 nan 8.360 nan 0.000 0.406 926 E N 1.005 121.183 120.200 -0.036 0.000 2.167 926 E HA 0.218 4.566 4.350 -0.004 0.000 0.247 926 E C -0.633 175.993 176.600 0.044 0.000 0.961 926 E CA -0.187 56.226 56.400 0.021 0.000 0.797 926 E CB 0.763 30.496 29.700 0.055 0.000 1.182 926 E HN 0.196 nan 8.360 nan 0.000 0.437 927 K N 1.191 121.591 120.400 -0.000 0.000 2.842 927 K HA 0.194 4.511 4.320 -0.004 0.000 0.310 927 K C 1.115 177.871 176.600 0.260 0.000 0.992 927 K CA -0.258 56.060 56.287 0.051 0.000 1.207 927 K CB 0.568 33.016 32.500 -0.086 0.000 1.478 927 K HN 0.351 nan 8.250 nan 0.000 0.601 928 E N -0.860 119.509 120.200 0.282 0.000 3.441 928 E HA 0.057 4.405 4.350 -0.004 0.000 0.195 928 E C 0.048 176.853 176.600 0.342 0.000 1.172 928 E CA -0.335 56.249 56.400 0.306 0.000 1.457 928 E CB 0.434 30.241 29.700 0.179 0.000 1.388 928 E HN 0.155 nan 8.360 nan 0.000 0.551 929 S N 0.552 116.411 115.700 0.264 0.000 2.567 929 S HA 0.163 4.630 4.470 -0.004 0.000 0.262 929 S C -0.842 173.878 174.600 0.200 0.000 1.237 929 S CA -0.627 57.688 58.200 0.192 0.000 1.093 929 S CB 0.080 63.343 63.200 0.106 0.000 1.095 929 S HN 0.435 nan 8.310 nan 0.000 0.489 930 H N 4.539 123.675 119.070 0.110 0.000 2.534 930 H HA 0.202 4.755 4.556 -0.004 0.000 0.250 930 H C 0.294 175.548 175.328 -0.124 0.000 1.256 930 H CA -0.277 55.738 56.048 -0.056 0.000 1.000 930 H CB 0.386 30.053 29.762 -0.159 0.000 1.801 930 H HN 0.517 nan 8.280 nan 0.000 0.569 931 V N 1.866 121.761 119.914 -0.032 0.000 2.964 931 V HA -0.087 4.030 4.120 -0.004 0.000 0.286 931 V C 0.152 176.248 176.094 0.005 0.000 1.363 931 V CA 0.925 63.256 62.300 0.052 0.000 1.411 931 V CB -0.478 31.366 31.823 0.035 0.000 0.835 931 V HN 0.628 nan 8.190 nan 0.000 0.487 932 A N 7.799 130.718 122.820 0.164 0.000 2.264 932 A HA 0.818 5.135 4.320 -0.004 0.000 0.304 932 A C -0.107 177.582 177.584 0.176 0.000 1.100 932 A CA -0.676 51.418 52.037 0.096 0.000 0.839 932 A CB 1.019 20.031 19.000 0.020 0.000 1.121 932 A HN 1.083 nan 8.150 nan 0.000 0.496 933 M N 2.021 121.629 119.600 0.014 0.000 2.090 933 M HA 0.258 4.736 4.480 -0.004 0.000 0.277 933 M C -1.408 174.860 176.300 -0.053 0.000 0.935 933 M CA -0.083 55.241 55.300 0.040 0.000 0.966 933 M CB 1.107 33.703 32.600 -0.007 0.000 1.635 933 M HN 0.800 nan 8.290 nan 0.000 0.446 934 H N 3.727 122.866 119.070 0.114 0.000 2.724 934 H HA 0.289 4.842 4.556 -0.004 0.000 0.278 934 H C -0.575 174.698 175.328 -0.092 0.000 1.159 934 H CA -0.320 55.732 56.048 0.007 0.000 1.254 934 H CB 0.856 30.651 29.762 0.053 0.000 1.412 934 H HN 0.535 nan 8.280 nan 0.000 0.488 935 R N 3.590 124.070 120.500 -0.034 0.000 2.254 935 R HA 0.213 4.550 4.340 -0.004 0.000 0.318 935 R C -1.267 174.972 176.300 -0.101 0.000 1.031 935 R CA -0.431 55.681 56.100 0.020 0.000 0.905 935 R CB 0.511 30.883 30.300 0.119 0.000 1.050 935 R HN 0.452 nan 8.270 nan 0.000 0.456 936 Y N 2.581 122.950 120.300 0.115 0.000 2.341 936 Y HA 0.246 4.793 4.550 -0.004 0.000 0.338 936 Y C -0.037 175.804 175.900 -0.098 0.000 0.965 936 Y CA -0.624 57.517 58.100 0.068 0.000 1.108 936 Y CB 2.206 40.779 38.460 0.189 0.000 1.180 936 Y HN 0.414 nan 8.280 nan 0.000 0.458 937 Q N 2.497 122.328 119.800 0.052 0.000 2.274 937 Q HA 0.694 5.031 4.340 -0.004 0.000 0.260 937 Q C -1.392 174.569 176.000 -0.066 0.000 0.974 937 Q CA -0.973 54.775 55.803 -0.092 0.000 0.876 937 Q CB 3.207 31.854 28.738 -0.152 0.000 1.297 937 Q HN 0.504 nan 8.270 nan 0.000 0.446 938 V N 2.473 122.324 119.914 -0.106 0.000 3.078 938 V HA 0.702 4.819 4.120 -0.004 0.000 0.311 938 V C -1.941 174.223 176.094 0.116 0.000 1.138 938 V CA -0.431 61.845 62.300 -0.039 0.000 1.007 938 V CB 2.467 34.193 31.823 -0.163 0.000 1.045 938 V HN 1.072 nan 8.190 nan 0.000 0.432 939 N N 1.949 120.784 118.700 0.225 0.000 2.935 939 N HA 0.374 5.111 4.740 -0.004 0.000 0.248 939 N C -2.088 173.611 175.510 0.315 0.000 1.276 939 N CA -0.766 52.482 53.050 0.331 0.000 0.906 939 N CB 1.145 39.700 38.487 0.114 0.000 1.564 939 N HN 0.640 nan 8.380 nan 0.000 0.500 940 N N 0.925 119.749 118.700 0.207 0.000 2.399 940 N HA 0.321 5.058 4.740 -0.004 0.000 0.280 940 N C -1.019 174.555 175.510 0.106 0.000 1.008 940 N CA -0.661 52.494 53.050 0.175 0.000 0.894 940 N CB 1.328 39.913 38.487 0.162 0.000 1.273 940 N HN 0.521 nan 8.380 nan 0.000 0.486 941 L N 1.564 122.941 121.223 0.256 0.000 2.688 941 L HA 0.342 4.679 4.340 -0.004 0.000 0.234 941 L C 1.634 178.593 176.870 0.148 0.000 1.192 941 L CA -0.118 54.837 54.840 0.193 0.000 0.984 941 L CB -0.451 41.735 42.059 0.212 0.000 1.232 941 L HN 0.784 nan 8.230 nan 0.000 0.465 942 G N -0.381 108.502 108.800 0.140 0.000 2.418 942 G HA2 0.126 4.083 3.960 -0.004 0.000 0.276 942 G HA3 0.126 4.083 3.960 -0.004 0.000 0.276 942 G C 0.352 175.289 174.900 0.062 0.000 1.442 942 G CA -0.202 44.956 45.100 0.097 0.000 1.066 942 G HN 0.426 nan 8.290 nan 0.000 0.553 943 Q N -0.956 118.877 119.800 0.055 0.000 2.038 943 Q HA 0.268 4.606 4.340 -0.004 0.000 0.240 943 Q C -0.225 175.799 176.000 0.042 0.000 0.831 943 Q CA -0.042 55.795 55.803 0.057 0.000 1.068 943 Q CB 1.419 30.202 28.738 0.076 0.000 1.241 943 Q HN 0.352 nan 8.270 nan 0.000 0.435 944 R N 0.529 121.034 120.500 0.007 0.000 2.604 944 R HA 0.251 4.588 4.340 -0.004 0.000 0.270 944 R C -1.663 174.595 176.300 -0.070 0.000 1.052 944 R CA -0.819 55.274 56.100 -0.012 0.000 0.902 944 R CB 1.622 31.934 30.300 0.020 0.000 1.233 944 R HN 0.029 nan 8.270 nan 0.000 0.455 945 D N 3.387 123.754 120.400 -0.055 0.000 2.390 945 D HA 0.308 4.946 4.640 -0.004 0.000 0.249 945 D C -0.502 175.739 176.300 -0.098 0.000 1.144 945 D CA 0.193 54.151 54.000 -0.071 0.000 0.880 945 D CB 0.748 41.528 40.800 -0.033 0.000 1.182 945 D HN 0.278 nan 8.370 nan 0.000 0.451 946 L N -0.020 121.116 121.223 -0.144 0.000 2.543 946 L HA 0.584 4.922 4.340 -0.004 0.000 0.265 946 L C -3.044 173.772 176.870 -0.091 0.000 0.945 946 L CA -2.093 52.585 54.840 -0.269 0.000 0.869 946 L CB 1.980 43.507 42.059 -0.886 0.000 1.294 946 L HN -0.030 nan 8.230 nan 0.000 0.405 947 P HA 0.336 nan 4.420 nan 0.000 0.267 947 P C -0.638 176.694 177.300 0.052 0.000 1.200 947 P CA -0.162 62.974 63.100 0.061 0.000 0.772 947 P CB 1.056 32.811 31.700 0.092 0.000 0.855 948 V N -1.445 118.496 119.914 0.044 0.000 3.181 948 V HA 0.855 4.972 4.120 -0.004 0.000 0.307 948 V C -0.971 175.120 176.094 -0.006 0.000 1.310 948 V CA -0.864 61.457 62.300 0.034 0.000 1.067 948 V CB 2.072 33.852 31.823 -0.072 0.000 1.081 948 V HN 0.447 nan 8.190 nan 0.000 0.453 949 S N 0.644 116.333 115.700 -0.018 0.000 2.750 949 S HA 0.644 5.111 4.470 -0.004 0.000 0.276 949 S C -1.025 173.504 174.600 -0.117 0.000 1.165 949 S CA -0.504 57.656 58.200 -0.066 0.000 1.047 949 S CB 0.480 63.651 63.200 -0.048 0.000 1.056 949 S HN 0.752 nan 8.310 nan 0.000 0.481 950 I N 4.936 125.408 120.570 -0.163 0.000 2.301 950 I HA 0.274 4.441 4.170 -0.004 0.000 0.292 950 I C 0.352 176.205 176.117 -0.440 0.000 1.046 950 I CA -0.413 60.725 61.300 -0.270 0.000 1.282 950 I CB 0.766 38.672 38.000 -0.158 0.000 1.409 950 I HN 0.586 nan 8.210 nan 0.000 0.484 951 N N 5.117 123.529 118.700 -0.479 0.000 2.493 951 N HA 0.621 5.358 4.740 -0.004 0.000 0.275 951 N C -1.056 173.946 175.510 -0.847 0.000 1.186 951 N CA -0.177 52.554 53.050 -0.531 0.000 0.978 951 N CB 1.118 39.389 38.487 -0.360 0.000 1.184 951 N HN 0.257 nan 8.380 nan 0.000 0.487 952 F N -0.437 119.207 119.950 -0.510 0.000 2.692 952 F HA 0.543 5.067 4.527 -0.005 0.000 0.320 952 F C -1.264 174.064 175.800 -0.787 0.000 1.123 952 F CA -0.631 57.120 58.000 -0.417 0.000 0.961 952 F CB 1.365 40.272 39.000 -0.154 0.000 1.383 952 F HN 0.418 nan 8.300 nan 0.000 0.483 953 W N 1.294 122.794 121.300 0.332 0.000 2.680 953 W HA 0.640 5.298 4.660 -0.005 0.000 0.305 953 W C -1.927 174.706 176.519 0.191 0.000 1.033 953 W CA -0.593 56.875 57.345 0.206 0.000 1.242 953 W CB 1.364 30.888 29.460 0.107 0.000 1.138 953 W HN 0.141 nan 8.180 nan 0.000 0.358 954 V N 4.469 124.606 119.914 0.372 0.000 2.378 954 V HA 0.445 4.562 4.120 -0.004 0.000 0.288 954 V C -2.001 174.270 176.094 0.295 0.000 1.016 954 V CA -2.308 60.184 62.300 0.321 0.000 0.840 954 V CB 1.808 33.763 31.823 0.219 0.000 0.994 954 V HN 0.099 nan 8.190 nan 0.000 0.431 955 P HA 0.276 nan 4.420 nan 0.000 0.269 955 P C -0.047 177.388 177.300 0.224 0.000 1.209 955 P CA 0.392 63.597 63.100 0.175 0.000 0.776 955 P CB 1.325 33.052 31.700 0.045 0.000 0.876 956 V N 0.604 120.557 119.914 0.066 0.000 5.619 956 V HA 0.120 4.238 4.120 -0.004 0.000 0.099 956 V C 0.105 176.171 176.094 -0.046 0.000 0.898 956 V CA -0.237 62.088 62.300 0.042 0.000 1.288 956 V CB -0.656 31.163 31.823 -0.006 0.000 2.171 956 V HN 0.330 nan 8.190 nan 0.000 0.497 957 E N 2.104 122.279 120.200 -0.041 0.000 2.534 957 E HA 0.173 4.521 4.350 -0.004 0.000 0.264 957 E C -0.773 175.763 176.600 -0.106 0.000 0.981 957 E CA 0.433 56.801 56.400 -0.053 0.000 0.948 957 E CB 0.592 30.269 29.700 -0.038 0.000 0.934 957 E HN 0.389 nan 8.360 nan 0.000 0.459 958 L N 4.198 125.355 121.223 -0.110 0.000 2.490 958 L HA 0.215 4.552 4.340 -0.004 0.000 0.261 958 L C -0.546 176.249 176.870 -0.125 0.000 1.232 958 L CA -0.150 54.586 54.840 -0.173 0.000 0.892 958 L CB 0.036 41.945 42.059 -0.251 0.000 1.085 958 L HN 0.544 nan 8.230 nan 0.000 0.491 959 N N 3.201 121.840 118.700 -0.102 0.000 2.746 959 N HA -0.264 4.474 4.740 -0.004 0.000 0.250 959 N C 0.611 176.122 175.510 0.001 0.000 1.055 959 N CA 1.604 54.630 53.050 -0.041 0.000 0.699 959 N CB -1.046 37.415 38.487 -0.043 0.000 0.919 959 N HN 0.973 nan 8.380 nan 0.000 0.548 960 Q N -2.128 117.672 119.800 -0.001 0.000 2.261 960 Q HA -0.340 3.998 4.340 -0.004 0.000 0.155 960 Q C -0.759 175.261 176.000 0.033 0.000 0.598 960 Q CA 2.150 57.963 55.803 0.017 0.000 1.376 960 Q CB -1.015 27.740 28.738 0.028 0.000 1.356 960 Q HN 0.627 nan 8.270 nan 0.000 0.947 961 E N 0.909 121.134 120.200 0.041 0.000 1.996 961 E HA 0.566 4.914 4.350 -0.004 0.000 0.280 961 E C -0.587 176.062 176.600 0.082 0.000 1.092 961 E CA 0.680 57.133 56.400 0.088 0.000 0.862 961 E CB 0.747 30.526 29.700 0.132 0.000 1.066 961 E HN 0.422 nan 8.360 nan 0.000 0.396 962 A N 3.690 126.565 122.820 0.092 0.000 2.531 962 A HA 0.079 4.396 4.320 -0.004 0.000 0.236 962 A C 0.995 178.645 177.584 0.110 0.000 1.062 962 A CA -0.234 51.850 52.037 0.078 0.000 0.760 962 A CB 0.577 19.633 19.000 0.094 0.000 0.995 962 A HN 0.611 nan 8.150 nan 0.000 0.501 963 V N 1.815 121.717 119.914 -0.019 0.000 2.326 963 V HA 0.100 4.218 4.120 -0.004 0.000 0.238 963 V C 0.449 176.710 176.094 0.278 0.000 1.038 963 V CA 1.765 63.923 62.300 -0.235 0.000 1.032 963 V CB -0.341 31.164 31.823 -0.531 0.000 0.675 963 V HN 1.036 nan 8.190 nan 0.000 0.467 964 W N -0.310 120.973 121.300 -0.029 0.000 3.259 964 W HA 0.742 5.399 4.660 -0.004 0.000 0.331 964 W C -1.414 175.124 176.519 0.032 0.000 1.144 964 W CA -2.147 55.223 57.345 0.042 0.000 1.227 964 W CB 0.134 29.628 29.460 0.058 0.000 1.371 964 W HN 0.081 nan 8.180 nan 0.000 0.491 965 M N 3.161 122.818 119.600 0.096 0.000 2.513 965 M HA 0.298 4.776 4.480 -0.004 0.000 0.291 965 M C 0.207 176.450 176.300 -0.095 0.000 1.190 965 M CA -0.441 54.850 55.300 -0.014 0.000 0.960 965 M CB 0.474 33.101 32.600 0.045 0.000 1.517 965 M HN 0.385 nan 8.290 nan 0.000 0.499 966 D N 0.359 120.710 120.400 -0.082 0.000 2.704 966 D HA -0.107 4.531 4.640 -0.004 0.000 0.232 966 D C -1.113 175.099 176.300 -0.147 0.000 1.183 966 D CA 0.419 54.370 54.000 -0.082 0.000 0.647 966 D CB -1.468 39.307 40.800 -0.041 0.000 1.013 966 D HN 0.277 nan 8.370 nan 0.000 0.415 967 V N 0.601 120.377 119.914 -0.229 0.000 2.406 967 V HA 0.280 4.398 4.120 -0.004 0.000 0.272 967 V C 0.829 176.817 176.094 -0.176 0.000 1.043 967 V CA 0.027 62.112 62.300 -0.357 0.000 0.915 967 V CB 1.593 33.009 31.823 -0.678 0.000 0.988 967 V HN 0.091 nan 8.190 nan 0.000 0.466 968 E N 2.590 122.661 120.200 -0.215 0.000 2.423 968 E HA 0.684 5.032 4.350 -0.004 0.000 0.269 968 E C -1.516 174.907 176.600 -0.295 0.000 0.948 968 E CA -0.876 55.425 56.400 -0.164 0.000 0.802 968 E CB 2.864 32.522 29.700 -0.070 0.000 1.339 968 E HN 0.405 nan 8.360 nan 0.000 0.445 969 V N 1.139 120.893 119.914 -0.267 0.000 2.407 969 V HA 0.373 4.491 4.120 -0.004 0.000 0.291 969 V C -0.713 175.306 176.094 -0.124 0.000 1.018 969 V CA -0.235 61.898 62.300 -0.278 0.000 0.842 969 V CB 1.525 33.086 31.823 -0.436 0.000 0.996 969 V HN 0.642 nan 8.190 nan 0.000 0.426 970 S N 4.718 120.392 115.700 -0.043 0.000 2.584 970 S HA 0.414 4.881 4.470 -0.004 0.000 0.273 970 S C -0.348 174.340 174.600 0.147 0.000 1.311 970 S CA -0.113 58.108 58.200 0.036 0.000 1.034 970 S CB 0.390 63.614 63.200 0.040 0.000 0.939 970 S HN 1.015 nan 8.310 nan 0.000 0.513 971 H N 3.844 122.931 119.070 0.028 0.000 2.379 971 H HA 0.505 5.059 4.556 -0.004 0.000 0.229 971 H C -2.791 172.597 175.328 0.101 0.000 1.423 971 H CA -2.005 54.102 56.048 0.097 0.000 1.375 971 H CB 0.079 29.838 29.762 -0.005 0.000 1.592 971 H HN 0.394 nan 8.280 nan 0.000 0.507 972 P HA 0.053 nan 4.420 nan 0.000 0.273 972 P C 0.066 177.274 177.300 -0.154 0.000 1.250 972 P CA 0.036 63.098 63.100 -0.064 0.000 0.793 972 P CB 0.681 32.386 31.700 0.008 0.000 1.011 973 Q N -2.137 117.597 119.800 -0.109 0.000 2.393 973 Q HA -0.201 4.136 4.340 -0.004 0.000 0.235 973 Q C -0.584 175.328 176.000 -0.147 0.000 0.823 973 Q CA 1.381 57.126 55.803 -0.097 0.000 1.284 973 Q CB -2.150 26.549 28.738 -0.064 0.000 1.669 973 Q HN 0.621 nan 8.270 nan 0.000 0.597 974 N N -0.464 118.073 118.700 -0.272 0.000 2.598 974 N HA 0.343 5.081 4.740 -0.004 0.000 0.263 974 N C -2.713 172.668 175.510 -0.214 0.000 1.254 974 N CA -1.091 51.785 53.050 -0.290 0.000 0.863 974 N CB 1.834 40.008 38.487 -0.523 0.000 1.586 974 N HN -0.218 nan 8.380 nan 0.000 0.491 975 P HA -0.028 nan 4.420 nan 0.000 0.270 975 P C -0.146 177.217 177.300 0.104 0.000 1.216 975 P CA 0.036 63.159 63.100 0.039 0.000 0.788 975 P CB 0.186 31.927 31.700 0.070 0.000 0.883 976 S N 0.879 116.624 115.700 0.075 0.000 2.437 976 S HA 0.246 4.714 4.470 -0.004 0.000 0.304 976 S C 0.229 174.881 174.600 0.086 0.000 1.167 976 S CA -0.589 57.662 58.200 0.085 0.000 1.106 976 S CB -0.805 62.419 63.200 0.040 0.000 1.099 976 S HN 0.185 nan 8.310 nan 0.000 0.524 977 L N 3.054 124.346 121.223 0.114 0.000 2.416 977 L HA 0.493 4.830 4.340 -0.004 0.000 0.262 977 L C 0.976 177.827 176.870 -0.032 0.000 1.093 977 L CA -0.239 54.614 54.840 0.022 0.000 0.801 977 L CB 0.606 42.627 42.059 -0.062 0.000 1.191 977 L HN 0.619 nan 8.230 nan 0.000 0.459 978 R N 0.303 120.776 120.500 -0.046 0.000 2.265 978 R HA 0.543 4.880 4.340 -0.004 0.000 0.319 978 R C -1.253 175.004 176.300 -0.072 0.000 1.006 978 R CA -0.470 55.602 56.100 -0.047 0.000 0.880 978 R CB 0.835 31.115 30.300 -0.033 0.000 1.077 978 R HN 0.476 nan 8.270 nan 0.000 0.454 979 c N 1.155 119.719 118.600 -0.060 0.000 2.634 979 c HA 0.508 5.076 4.570 -0.004 0.000 0.313 979 c C 0.475 174.542 174.090 -0.038 0.000 1.198 979 c CA -0.566 55.734 56.329 -0.048 0.000 1.605 979 c CB 2.034 44.531 42.510 -0.021 0.000 2.196 979 c HN 0.823 nan 8.230 nan 0.000 0.486 980 S N 1.166 116.829 115.700 -0.062 0.000 2.690 980 S HA 0.858 5.326 4.470 -0.004 0.000 0.291 980 S C -0.393 174.069 174.600 -0.231 0.000 1.138 980 S CA -0.284 57.844 58.200 -0.119 0.000 1.013 980 S CB 0.946 64.073 63.200 -0.122 0.000 1.053 980 S HN 1.075 nan 8.310 nan 0.000 0.539 981 S N 1.697 117.223 115.700 -0.290 0.000 2.575 981 S HA 0.687 5.155 4.470 -0.004 0.000 0.278 981 S C -1.549 172.848 174.600 -0.338 0.000 1.139 981 S CA -0.850 57.061 58.200 -0.482 0.000 0.954 981 S CB 1.466 64.388 63.200 -0.463 0.000 1.054 981 S HN 0.728 nan 8.310 nan 0.000 0.483 982 E N 1.237 121.220 120.200 -0.362 0.000 2.321 982 E HA 0.339 4.686 4.350 -0.004 0.000 0.281 982 E C -1.371 175.120 176.600 -0.182 0.000 0.910 982 E CA -0.775 55.494 56.400 -0.218 0.000 0.770 982 E CB 2.338 31.941 29.700 -0.162 0.000 1.225 982 E HN 0.583 nan 8.360 nan 0.000 0.417 983 K N 2.583 122.911 120.400 -0.121 0.000 2.098 983 K HA 0.655 4.972 4.320 -0.004 0.000 0.261 983 K C -0.078 176.506 176.600 -0.027 0.000 0.987 983 K CA -0.467 55.776 56.287 -0.073 0.000 0.916 983 K CB 1.044 33.505 32.500 -0.066 0.000 1.039 983 K HN 0.459 nan 8.250 nan 0.000 0.455 984 I N -2.355 118.219 120.570 0.007 0.000 2.913 984 I HA 0.608 4.775 4.170 -0.004 0.000 0.302 984 I C -1.353 174.772 176.117 0.015 0.000 1.246 984 I CA -1.231 60.083 61.300 0.023 0.000 1.010 984 I CB 2.355 40.395 38.000 0.067 0.000 1.259 984 I HN 0.521 nan 8.210 nan 0.000 0.434 985 A N 4.620 127.443 122.820 0.004 0.000 2.271 985 A HA 0.872 5.190 4.320 -0.004 0.000 0.317 985 A C -2.341 175.237 177.584 -0.010 0.000 1.245 985 A CA -1.343 50.690 52.037 -0.006 0.000 0.857 985 A CB -0.130 18.866 19.000 -0.007 0.000 1.175 985 A HN 0.680 nan 8.150 nan 0.000 0.512 986 P HA 0.212 nan 4.420 nan 0.000 0.280 986 P C -1.548 175.737 177.300 -0.024 0.000 1.278 986 P CA -0.810 62.269 63.100 -0.035 0.000 0.787 986 P CB 0.013 31.678 31.700 -0.060 0.000 1.163 987 P HA -0.038 nan 4.420 nan 0.000 0.223 987 P C 0.287 177.589 177.300 0.004 0.000 1.151 987 P CA 1.483 64.576 63.100 -0.012 0.000 0.787 987 P CB -0.285 31.406 31.700 -0.015 0.000 0.788 988 A N -1.506 121.320 122.820 0.010 0.000 3.157 988 A HA -0.131 4.186 4.320 -0.004 0.000 0.237 988 A C 0.793 178.414 177.584 0.062 0.000 1.330 988 A CA 0.504 52.570 52.037 0.049 0.000 0.992 988 A CB -2.692 16.333 19.000 0.043 0.000 1.131 988 A HN 0.312 nan 8.150 nan 0.000 0.781 989 S N 0.237 115.963 115.700 0.044 0.000 2.598 989 S HA 0.304 4.771 4.470 -0.004 0.000 0.256 989 S C 0.379 175.012 174.600 0.055 0.000 1.350 989 S CA 0.344 58.571 58.200 0.046 0.000 0.984 989 S CB 0.249 63.482 63.200 0.057 0.000 0.930 989 S HN 0.669 nan 8.310 nan 0.000 0.577 990 D N 1.138 121.544 120.400 0.010 0.000 2.359 990 D HA 0.015 4.652 4.640 -0.004 0.000 0.273 990 D C 0.830 177.106 176.300 -0.041 0.000 1.362 990 D CA -0.350 53.596 54.000 -0.091 0.000 1.010 990 D CB -0.371 40.379 40.800 -0.084 0.000 1.090 990 D HN 0.441 nan 8.370 nan 0.000 0.521 991 F N 3.041 123.017 119.950 0.043 0.000 2.407 991 F HA 0.007 4.531 4.527 -0.004 0.000 0.299 991 F C 1.811 177.674 175.800 0.105 0.000 1.097 991 F CA -0.118 57.916 58.000 0.057 0.000 1.422 991 F CB -0.773 38.227 39.000 -0.000 0.000 1.067 991 F HN 0.323 nan 8.300 nan 0.000 0.539 992 L N 1.444 122.451 121.223 -0.360 0.000 1.951 992 L HA -0.255 4.083 4.340 -0.004 0.000 0.222 992 L C 2.676 179.571 176.870 0.042 0.000 1.078 992 L CA 2.260 57.026 54.840 -0.125 0.000 0.778 992 L CB -0.880 41.032 42.059 -0.246 0.000 0.893 992 L HN 0.266 nan 8.230 nan 0.000 0.436 993 A N -1.723 121.104 122.820 0.011 0.000 2.014 993 A HA -0.238 4.079 4.320 -0.004 0.000 0.218 993 A C 2.195 179.828 177.584 0.082 0.000 1.163 993 A CA 1.280 53.339 52.037 0.037 0.000 0.652 993 A CB -0.995 18.009 19.000 0.008 0.000 0.808 993 A HN 0.774 nan 8.150 nan 0.000 0.449 994 H N 1.082 120.180 119.070 0.047 0.000 2.265 994 H HA -0.169 4.384 4.556 -0.004 0.000 0.295 994 H C 1.894 177.265 175.328 0.071 0.000 1.084 994 H CA 2.288 58.375 56.048 0.064 0.000 1.261 994 H CB -0.234 29.587 29.762 0.098 0.000 1.360 994 H HN 0.582 nan 8.280 nan 0.000 0.487 995 I N -0.441 120.305 120.570 0.294 0.000 3.564 995 I HA 0.001 4.169 4.170 -0.004 0.000 0.294 995 I C 2.409 178.594 176.117 0.114 0.000 1.289 995 I CA 0.679 62.106 61.300 0.211 0.000 1.325 995 I CB -0.239 37.912 38.000 0.253 0.000 1.039 995 I HN 0.183 nan 8.210 nan 0.000 0.474 996 Q N 1.926 121.781 119.800 0.092 0.000 2.119 996 Q HA -0.176 4.161 4.340 -0.004 0.000 0.201 996 Q C 2.028 178.040 176.000 0.019 0.000 0.972 996 Q CA 1.428 57.264 55.803 0.055 0.000 0.847 996 Q CB 0.084 28.850 28.738 0.046 0.000 0.903 996 Q HN 0.560 nan 8.270 nan 0.000 0.433 997 K N 0.203 120.596 120.400 -0.012 0.000 2.000 997 K HA -0.148 4.170 4.320 -0.004 0.000 0.218 997 K C 0.618 177.203 176.600 -0.025 0.000 1.053 997 K CA 1.205 57.468 56.287 -0.040 0.000 0.946 997 K CB -0.073 32.365 32.500 -0.103 0.000 0.723 997 K HN 0.088 nan 8.250 nan 0.000 0.446 998 N N -0.895 117.792 118.700 -0.022 0.000 2.461 998 N HA 0.175 4.912 4.740 -0.004 0.000 0.284 998 N C -2.505 173.031 175.510 0.044 0.000 1.049 998 N CA -2.067 50.984 53.050 0.002 0.000 0.889 998 N CB 1.856 40.334 38.487 -0.015 0.000 1.365 998 N HN -0.257 nan 8.380 nan 0.000 0.499 999 P HA -0.125 nan 4.420 nan 0.000 0.224 999 P C 0.354 177.709 177.300 0.091 0.000 1.142 999 P CA 0.723 63.866 63.100 0.071 0.000 0.778 999 P CB -0.010 31.718 31.700 0.046 0.000 0.764 1000 V N -2.086 117.873 119.914 0.076 0.000 2.928 1000 V HA -0.038 4.080 4.120 -0.004 0.000 0.307 1000 V C 0.313 176.467 176.094 0.100 0.000 1.105 1000 V CA 0.021 62.368 62.300 0.078 0.000 1.223 1000 V CB -0.046 31.815 31.823 0.064 0.000 0.930 1000 V HN -0.062 nan 8.190 nan 0.000 0.499 1001 L N 4.191 125.455 121.223 0.068 0.000 2.495 1001 L HA 0.469 4.806 4.340 -0.004 0.000 0.248 1001 L C -0.159 176.709 176.870 -0.004 0.000 1.229 1001 L CA -0.539 54.315 54.840 0.024 0.000 0.942 1001 L CB 0.344 42.382 42.059 -0.036 0.000 1.242 1001 L HN 1.060 nan 8.230 nan 0.000 0.484 1002 D N -0.006 120.407 120.400 0.021 0.000 2.393 1002 D HA -0.003 4.635 4.640 -0.004 0.000 0.246 1002 D C 1.084 177.367 176.300 -0.029 0.000 1.275 1002 D CA -0.493 53.511 54.000 0.005 0.000 0.979 1002 D CB 0.650 41.459 40.800 0.016 0.000 1.101 1002 D HN 0.270 nan 8.370 nan 0.000 0.505 1003 c N -0.458 118.126 118.600 -0.026 0.000 2.472 1003 c HA -0.034 4.533 4.570 -0.004 0.000 0.278 1003 c C 2.519 176.568 174.090 -0.069 0.000 1.447 1003 c CA 0.852 57.167 56.329 -0.024 0.000 1.773 1003 c CB -1.727 40.795 42.510 0.021 0.000 1.793 1003 c HN 0.749 nan 8.230 nan 0.000 0.544 1004 S N 0.360 116.004 115.700 -0.093 0.000 2.481 1004 S HA 0.002 4.469 4.470 -0.004 0.000 0.231 1004 S C 1.484 175.984 174.600 -0.168 0.000 0.996 1004 S CA 1.068 59.196 58.200 -0.120 0.000 0.942 1004 S CB -0.301 62.835 63.200 -0.106 0.000 0.768 1004 S HN 0.502 nan 8.310 nan 0.000 0.520 1005 I N 1.321 121.784 120.570 -0.179 0.000 2.899 1005 I HA 0.387 4.554 4.170 -0.004 0.000 0.257 1005 I C 1.356 177.367 176.117 -0.176 0.000 1.115 1005 I CA 0.451 61.634 61.300 -0.196 0.000 1.451 1005 I CB -1.245 36.641 38.000 -0.191 0.000 1.251 1005 I HN 0.365 nan 8.210 nan 0.000 0.456 1006 A N 0.699 123.417 122.820 -0.170 0.000 2.305 1006 A HA 0.620 4.937 4.320 -0.004 0.000 0.322 1006 A C 0.587 178.111 177.584 -0.101 0.000 1.187 1006 A CA -0.194 51.736 52.037 -0.179 0.000 0.825 1006 A CB 0.359 19.211 19.000 -0.247 0.000 1.164 1006 A HN 0.367 nan 8.150 nan 0.000 0.498 1007 G N 1.080 109.829 108.800 -0.085 0.000 2.151 1007 G HA2 0.234 4.192 3.960 -0.004 0.000 0.269 1007 G HA3 0.234 4.192 3.960 -0.004 0.000 0.269 1007 G C 0.451 175.347 174.900 -0.007 0.000 1.069 1007 G CA 0.378 45.455 45.100 -0.039 0.000 1.080 1007 G HN 0.907 nan 8.290 nan 0.000 0.405 1008 c N 2.585 121.209 118.600 0.040 0.000 2.694 1008 c HA 0.778 5.346 4.570 -0.004 0.000 0.324 1008 c C 0.404 174.550 174.090 0.094 0.000 1.813 1008 c CA -0.689 55.706 56.329 0.108 0.000 2.009 1008 c CB 0.468 43.100 42.510 0.203 0.000 1.939 1008 c HN 0.678 nan 8.230 nan 0.000 0.551 1009 L N 2.386 123.690 121.223 0.135 0.000 2.541 1009 L HA 0.424 4.761 4.340 -0.004 0.000 0.266 1009 L C -0.422 176.412 176.870 -0.060 0.000 0.966 1009 L CA -0.284 54.549 54.840 -0.012 0.000 0.871 1009 L CB 0.598 42.634 42.059 -0.038 0.000 1.232 1009 L HN 0.748 nan 8.230 nan 0.000 0.408 1010 R N 3.855 124.206 120.500 -0.247 0.000 2.298 1010 R HA 0.411 4.748 4.340 -0.004 0.000 0.310 1010 R C -1.714 174.279 176.300 -0.512 0.000 1.068 1010 R CA -0.212 55.590 56.100 -0.497 0.000 0.957 1010 R CB 0.661 30.572 30.300 -0.647 0.000 1.003 1010 R HN 0.383 nan 8.270 nan 0.000 0.454 1011 F N 3.729 123.486 119.950 -0.321 0.000 2.402 1011 F HA 0.364 4.889 4.527 -0.004 0.000 0.355 1011 F C 0.681 176.355 175.800 -0.210 0.000 1.123 1011 F CA -0.689 57.208 58.000 -0.172 0.000 1.021 1011 F CB 1.494 40.485 39.000 -0.016 0.000 1.160 1011 F HN 0.360 nan 8.300 nan 0.000 0.451 1012 R N 3.534 123.985 120.500 -0.082 0.000 2.471 1012 R HA 0.446 4.784 4.340 -0.004 0.000 0.292 1012 R C -1.415 174.831 176.300 -0.089 0.000 1.192 1012 R CA -0.249 55.778 56.100 -0.122 0.000 1.257 1012 R CB 0.025 30.241 30.300 -0.140 0.000 1.130 1012 R HN 0.730 nan 8.270 nan 0.000 0.558 1013 c N 4.342 122.882 118.600 -0.100 0.000 2.252 1013 c HA 0.233 4.801 4.570 -0.004 0.000 0.342 1013 c C 0.147 174.151 174.090 -0.144 0.000 1.110 1013 c CA -0.967 55.273 56.329 -0.150 0.000 1.581 1013 c CB -0.748 41.600 42.510 -0.270 0.000 2.087 1013 c HN 0.691 nan 8.230 nan 0.000 0.500 1014 D N 1.273 121.610 120.400 -0.105 0.000 2.361 1014 D HA 0.363 5.000 4.640 -0.004 0.000 0.239 1014 D C -0.180 176.080 176.300 -0.067 0.000 1.200 1014 D CA 0.307 54.264 54.000 -0.071 0.000 0.915 1014 D CB 1.052 41.825 40.800 -0.045 0.000 1.170 1014 D HN 0.261 nan 8.370 nan 0.000 0.444 1015 V N 2.363 122.260 119.914 -0.028 0.000 2.668 1015 V HA 0.134 4.252 4.120 -0.004 0.000 0.304 1015 V C -1.516 174.603 176.094 0.042 0.000 1.071 1015 V CA -1.119 61.185 62.300 0.006 0.000 0.894 1015 V CB 2.265 34.090 31.823 0.003 0.000 1.008 1015 V HN 0.420 nan 8.190 nan 0.000 0.425 1016 P HA -0.049 nan 4.420 nan 0.000 0.213 1016 P C 0.471 177.814 177.300 0.071 0.000 1.170 1016 P CA 1.042 64.176 63.100 0.057 0.000 0.893 1016 P CB 0.462 32.196 31.700 0.056 0.000 0.784 1017 S N -1.554 114.202 115.700 0.094 0.000 2.609 1017 S HA 0.322 4.789 4.470 -0.004 0.000 0.250 1017 S C -1.195 173.494 174.600 0.148 0.000 1.112 1017 S CA -0.687 57.569 58.200 0.094 0.000 1.102 1017 S CB -0.506 62.727 63.200 0.055 0.000 1.124 1017 S HN -0.066 nan 8.310 nan 0.000 0.460 1018 F N 5.583 125.518 119.950 -0.025 0.000 2.678 1018 F HA 0.383 4.907 4.527 -0.005 0.000 0.358 1018 F C 0.907 176.689 175.800 -0.029 0.000 1.256 1018 F CA -0.305 57.681 58.000 -0.023 0.000 1.278 1018 F CB -0.549 38.420 39.000 -0.052 0.000 1.681 1018 F HN 0.570 nan 8.300 nan 0.000 0.661 1019 S N 2.756 118.364 115.700 -0.153 0.000 2.561 1019 S HA 0.085 4.552 4.470 -0.004 0.000 0.294 1019 S C 0.344 174.726 174.600 -0.364 0.000 1.294 1019 S CA -0.624 57.465 58.200 -0.185 0.000 1.055 1019 S CB 0.228 63.376 63.200 -0.086 0.000 0.819 1019 S HN 0.297 nan 8.310 nan 0.000 0.503 1020 V N 6.374 126.159 119.914 -0.215 0.000 2.901 1020 V HA 0.049 4.166 4.120 -0.004 0.000 0.307 1020 V C 1.248 177.253 176.094 -0.148 0.000 1.084 1020 V CA 0.812 62.995 62.300 -0.196 0.000 1.184 1020 V CB 0.254 32.046 31.823 -0.051 0.000 0.941 1020 V HN 1.148 nan 8.190 nan 0.000 0.493 1021 Q N -0.318 119.381 119.800 -0.168 0.000 2.404 1021 Q HA -0.246 4.092 4.340 -0.004 0.000 0.151 1021 Q C 0.617 176.520 176.000 -0.161 0.000 0.589 1021 Q CA 1.759 57.492 55.803 -0.117 0.000 1.298 1021 Q CB -0.987 27.721 28.738 -0.051 0.000 1.175 1021 Q HN 0.905 nan 8.270 nan 0.000 1.025 1022 E N 1.871 121.911 120.200 -0.266 0.000 2.406 1022 E HA -0.014 4.334 4.350 -0.004 0.000 0.258 1022 E C 0.150 176.666 176.600 -0.140 0.000 1.043 1022 E CA 0.206 56.473 56.400 -0.221 0.000 0.929 1022 E CB 0.439 29.962 29.700 -0.294 0.000 0.969 1022 E HN 0.221 nan 8.360 nan 0.000 0.462 1023 E N 5.498 125.663 120.200 -0.059 0.000 2.311 1023 E HA 0.045 4.393 4.350 -0.004 0.000 0.198 1023 E C 0.054 176.686 176.600 0.054 0.000 1.115 1023 E CA -0.326 56.063 56.400 -0.018 0.000 1.140 1023 E CB 0.043 29.644 29.700 -0.166 0.000 1.204 1023 E HN 0.632 nan 8.360 nan 0.000 0.446 1024 L N 3.039 124.387 121.223 0.207 0.000 2.841 1024 L HA -0.141 4.196 4.340 -0.004 0.000 0.282 1024 L C -0.512 176.397 176.870 0.064 0.000 1.130 1024 L CA 0.446 55.436 54.840 0.250 0.000 0.996 1024 L CB 0.036 42.368 42.059 0.455 0.000 1.364 1024 L HN 0.213 nan 8.230 nan 0.000 0.466 1025 D N 4.604 125.012 120.400 0.013 0.000 2.490 1025 D HA 0.698 5.335 4.640 -0.004 0.000 0.232 1025 D C -0.718 175.581 176.300 -0.001 0.000 1.053 1025 D CA -0.481 53.396 54.000 -0.205 0.000 0.914 1025 D CB 1.686 42.398 40.800 -0.148 0.000 1.431 1025 D HN 0.270 nan 8.370 nan 0.000 0.483 1026 F N -2.427 117.649 119.950 0.211 0.000 2.719 1026 F HA 0.663 5.188 4.527 -0.004 0.000 0.309 1026 F C -0.803 175.090 175.800 0.154 0.000 1.138 1026 F CA -1.025 57.103 58.000 0.214 0.000 0.943 1026 F CB 1.517 40.697 39.000 0.300 0.000 1.304 1026 F HN 0.432 nan 8.300 nan 0.000 0.445 1027 T N 1.327 116.095 114.554 0.357 0.000 2.916 1027 T HA 0.864 5.212 4.350 -0.004 0.000 0.292 1027 T C -1.737 173.003 174.700 0.067 0.000 1.064 1027 T CA -0.685 61.531 62.100 0.193 0.000 1.011 1027 T CB 1.500 70.445 68.868 0.128 0.000 1.152 1027 T HN 1.115 nan 8.240 nan 0.000 0.510 1028 L N 1.250 122.468 121.223 -0.007 0.000 2.408 1028 L HA 0.907 5.245 4.340 -0.004 0.000 0.268 1028 L C -0.830 176.030 176.870 -0.016 0.000 0.986 1028 L CA -0.912 53.845 54.840 -0.138 0.000 0.820 1028 L CB 1.697 43.519 42.059 -0.396 0.000 1.303 1028 L HN 0.808 nan 8.230 nan 0.000 0.411 1029 K N 0.808 121.166 120.400 -0.070 0.000 2.482 1029 K HA 1.021 5.339 4.320 -0.004 0.000 0.257 1029 K C -0.784 175.748 176.600 -0.113 0.000 0.969 1029 K CA -0.816 55.485 56.287 0.023 0.000 0.842 1029 K CB 2.457 34.979 32.500 0.036 0.000 1.359 1029 K HN 1.043 nan 8.250 nan 0.000 0.441 1030 G N 1.013 109.813 108.800 -0.000 0.000 2.716 1030 G HA2 0.191 4.149 3.960 -0.004 0.000 0.299 1030 G HA3 0.191 4.149 3.960 -0.004 0.000 0.299 1030 G C -1.695 173.331 174.900 0.209 0.000 1.450 1030 G CA -1.034 44.017 45.100 -0.082 0.000 0.968 1030 G HN 0.489 nan 8.290 nan 0.000 0.566 1031 N N 0.302 119.083 118.700 0.135 0.000 2.365 1031 N HA 0.039 4.776 4.740 -0.004 0.000 0.265 1031 N C -0.107 175.588 175.510 0.309 0.000 1.288 1031 N CA 0.127 53.288 53.050 0.185 0.000 0.869 1031 N CB 1.303 39.865 38.487 0.125 0.000 1.071 1031 N HN 0.525 nan 8.380 nan 0.000 0.480 1032 L N 1.797 123.199 121.223 0.298 0.000 2.255 1032 L HA 0.240 4.577 4.340 -0.004 0.000 0.289 1032 L C 0.423 177.338 176.870 0.076 0.000 1.046 1032 L CA -0.346 54.662 54.840 0.280 0.000 0.816 1032 L CB 0.724 42.838 42.059 0.092 0.000 1.197 1032 L HN 0.409 nan 8.230 nan 0.000 0.427 1033 S N 3.255 119.089 115.700 0.223 0.000 2.576 1033 S HA 0.223 4.690 4.470 -0.004 0.000 0.276 1033 S C 0.650 175.293 174.600 0.072 0.000 1.339 1033 S CA -0.089 58.250 58.200 0.231 0.000 1.039 1033 S CB 0.432 63.825 63.200 0.321 0.000 0.902 1033 S HN 0.564 nan 8.310 nan 0.000 0.516 1034 F N 2.429 122.442 119.950 0.105 0.000 2.749 1034 F HA 0.281 4.805 4.527 -0.005 0.000 0.300 1034 F C 2.242 177.948 175.800 -0.157 0.000 1.103 1034 F CA 0.101 58.060 58.000 -0.068 0.000 1.342 1034 F CB -0.307 38.673 39.000 -0.034 0.000 1.098 1034 F HN 0.760 nan 8.300 nan 0.000 0.586 1035 G N 1.449 110.337 108.800 0.146 0.000 2.433 1035 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.216 1035 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.216 1035 G C 1.497 176.430 174.900 0.055 0.000 1.186 1035 G CA 0.790 45.956 45.100 0.110 0.000 0.779 1035 G HN 0.614 nan 8.290 nan 0.000 0.543 1036 W N 1.246 122.588 121.300 0.071 0.000 2.538 1036 W HA 0.018 4.675 4.660 -0.005 0.000 0.254 1036 W C 1.338 177.881 176.519 0.040 0.000 1.249 1036 W CA 0.767 58.136 57.345 0.041 0.000 1.253 1036 W CB -0.991 28.481 29.460 0.019 0.000 1.130 1036 W HN 0.098 nan 8.180 nan 0.000 0.618 1037 V N 1.990 121.399 119.914 -0.843 0.000 2.469 1037 V HA -0.291 3.826 4.120 -0.004 0.000 0.251 1037 V C 2.867 178.784 176.094 -0.296 0.000 1.064 1037 V CA 2.482 64.246 62.300 -0.893 0.000 1.066 1037 V CB -1.057 30.359 31.823 -0.677 0.000 0.667 1037 V HN 0.245 nan 8.190 nan 0.000 0.461 1038 R N -0.024 120.400 120.500 -0.127 0.000 2.161 1038 R HA -0.132 4.205 4.340 -0.004 0.000 0.213 1038 R C 2.310 178.643 176.300 0.054 0.000 1.055 1038 R CA 0.970 57.058 56.100 -0.021 0.000 0.996 1038 R CB -0.114 30.185 30.300 -0.002 0.000 0.901 1038 R HN 0.488 nan 8.270 nan 0.000 0.456 1039 Q N 1.274 121.135 119.800 0.102 0.000 2.268 1039 Q HA -0.169 4.169 4.340 -0.004 0.000 0.210 1039 Q C 1.543 177.668 176.000 0.208 0.000 0.988 1039 Q CA 2.038 57.939 55.803 0.163 0.000 0.883 1039 Q CB -0.124 28.734 28.738 0.200 0.000 0.911 1039 Q HN 0.623 nan 8.270 nan 0.000 0.430 1040 I N -4.821 115.870 120.570 0.202 0.000 4.070 1040 I HA 0.264 4.431 4.170 -0.004 0.000 0.328 1040 I C 0.164 176.381 176.117 0.167 0.000 1.298 1040 I CA -0.307 61.140 61.300 0.246 0.000 1.173 1040 I CB 0.603 38.773 38.000 0.284 0.000 1.051 1040 I HN 0.038 nan 8.210 nan 0.000 0.409 1041 L N 0.965 122.254 121.223 0.110 0.000 3.512 1041 L HA -0.214 4.124 4.340 -0.004 0.000 0.446 1041 L C -0.433 176.483 176.870 0.077 0.000 1.290 1041 L CA 1.124 56.013 54.840 0.082 0.000 0.871 1041 L CB -1.614 40.495 42.059 0.083 0.000 1.767 1041 L HN 0.735 nan 8.230 nan 0.000 0.855 1042 Q N -0.384 119.458 119.800 0.069 0.000 2.831 1042 Q HA 0.683 5.020 4.340 -0.004 0.000 0.322 1042 Q C -0.903 175.126 176.000 0.048 0.000 0.923 1042 Q CA -1.192 54.650 55.803 0.065 0.000 0.767 1042 Q CB 2.019 30.799 28.738 0.070 0.000 1.469 1042 Q HN 0.067 nan 8.270 nan 0.000 0.496 1043 K N 0.703 121.131 120.400 0.046 0.000 2.444 1043 K HA 0.356 4.673 4.320 -0.004 0.000 0.252 1043 K C -0.830 175.764 176.600 -0.009 0.000 0.993 1043 K CA -0.782 55.523 56.287 0.031 0.000 0.847 1043 K CB 1.573 34.133 32.500 0.100 0.000 1.340 1043 K HN 0.674 nan 8.250 nan 0.000 0.446 1044 K N 0.142 120.515 120.400 -0.045 0.000 3.230 1044 K HA -0.156 4.161 4.320 -0.004 0.000 0.285 1044 K C -0.263 176.315 176.600 -0.037 0.000 1.196 1044 K CA 0.228 56.474 56.287 -0.068 0.000 0.838 1044 K CB -0.874 31.587 32.500 -0.064 0.000 1.262 1044 K HN 0.409 nan 8.250 nan 0.000 0.492 1045 V N 1.413 121.315 119.914 -0.020 0.000 3.237 1045 V HA 0.380 4.498 4.120 -0.004 0.000 0.305 1045 V C 0.060 176.179 176.094 0.043 0.000 1.096 1045 V CA 0.847 63.175 62.300 0.047 0.000 1.130 1045 V CB 1.516 33.407 31.823 0.112 0.000 1.048 1045 V HN 0.476 nan 8.190 nan 0.000 0.484 1046 S N 4.378 120.131 115.700 0.089 0.000 2.619 1046 S HA 0.556 5.023 4.470 -0.004 0.000 0.280 1046 S C -0.953 173.701 174.600 0.089 0.000 1.150 1046 S CA -0.635 57.606 58.200 0.068 0.000 0.978 1046 S CB 1.246 64.472 63.200 0.043 0.000 1.041 1046 S HN 1.012 nan 8.310 nan 0.000 0.485 1047 V N 3.664 123.620 119.914 0.069 0.000 2.481 1047 V HA 0.720 4.838 4.120 -0.004 0.000 0.286 1047 V C -0.655 175.447 176.094 0.013 0.000 1.042 1047 V CA -0.295 62.006 62.300 0.001 0.000 0.928 1047 V CB 1.421 33.176 31.823 -0.112 0.000 0.986 1047 V HN 0.897 nan 8.190 nan 0.000 0.462 1048 V N 6.050 125.970 119.914 0.010 0.000 2.628 1048 V HA 0.656 4.774 4.120 -0.004 0.000 0.306 1048 V C -0.026 176.085 176.094 0.028 0.000 1.045 1048 V CA -0.239 62.081 62.300 0.034 0.000 0.905 1048 V CB 2.357 34.207 31.823 0.044 0.000 0.997 1048 V HN 1.041 nan 8.190 nan 0.000 0.436 1049 S N 3.440 119.150 115.700 0.017 0.000 2.473 1049 S HA 0.795 5.262 4.470 -0.004 0.000 0.307 1049 S C -0.954 173.785 174.600 0.230 0.000 1.094 1049 S CA -0.642 57.616 58.200 0.097 0.000 1.070 1049 S CB 1.691 64.853 63.200 -0.063 0.000 1.019 1049 S HN 0.418 nan 8.310 nan 0.000 0.480 1050 V N 2.193 122.284 119.914 0.294 0.000 2.483 1050 V HA 0.835 4.953 4.120 -0.004 0.000 0.295 1050 V C 0.240 176.548 176.094 0.355 0.000 1.035 1050 V CA -0.530 61.942 62.300 0.287 0.000 0.896 1050 V CB 1.291 33.229 31.823 0.192 0.000 0.986 1050 V HN 1.204 nan 8.190 nan 0.000 0.447 1051 A N 3.870 126.730 122.820 0.067 0.000 2.332 1051 A HA 0.744 5.062 4.320 -0.004 0.000 0.300 1051 A C -0.569 176.887 177.584 -0.212 0.000 1.153 1051 A CA -0.516 51.389 52.037 -0.219 0.000 0.764 1051 A CB 1.016 19.504 19.000 -0.853 0.000 1.174 1051 A HN 0.827 nan 8.150 nan 0.000 0.467 1052 E N 3.112 123.212 120.200 -0.167 0.000 2.224 1052 E HA 0.504 4.851 4.350 -0.004 0.000 0.265 1052 E C -1.376 175.115 176.600 -0.182 0.000 0.878 1052 E CA -0.525 55.819 56.400 -0.092 0.000 0.759 1052 E CB 1.500 31.241 29.700 0.070 0.000 1.164 1052 E HN 0.739 nan 8.360 nan 0.000 0.414 1053 I N 3.775 124.260 120.570 -0.142 0.000 2.472 1053 I HA 0.325 4.492 4.170 -0.004 0.000 0.290 1053 I C -0.299 175.788 176.117 -0.050 0.000 1.016 1053 I CA 0.118 61.351 61.300 -0.112 0.000 1.348 1053 I CB 1.085 39.042 38.000 -0.072 0.000 1.417 1053 I HN 0.666 nan 8.210 nan 0.000 0.521 1054 T N 3.475 118.005 114.554 -0.040 0.000 2.865 1054 T HA 0.778 5.126 4.350 -0.004 0.000 0.294 1054 T C -0.768 173.961 174.700 0.050 0.000 1.119 1054 T CA -0.662 61.339 62.100 -0.166 0.000 1.007 1054 T CB 1.850 70.622 68.868 -0.160 0.000 1.225 1054 T HN 0.577 nan 8.240 nan 0.000 0.515 1055 F N -1.720 118.226 119.950 -0.007 0.000 2.770 1055 F HA 0.582 5.107 4.527 -0.004 0.000 0.313 1055 F C -1.037 174.807 175.800 0.075 0.000 1.154 1055 F CA -1.446 56.570 58.000 0.028 0.000 0.923 1055 F CB 0.253 39.268 39.000 0.024 0.000 1.301 1055 F HN 0.574 nan 8.300 nan 0.000 0.449 1056 D N 1.630 122.216 120.400 0.310 0.000 2.402 1056 D HA 0.042 4.679 4.640 -0.004 0.000 0.268 1056 D C 1.455 177.882 176.300 0.210 0.000 1.294 1056 D CA 1.103 55.227 54.000 0.205 0.000 0.945 1056 D CB 1.109 42.039 40.800 0.218 0.000 1.112 1056 D HN 0.793 nan 8.370 nan 0.000 0.517 1057 T N 1.924 116.517 114.554 0.065 0.000 2.760 1057 T HA -0.202 4.146 4.350 -0.004 0.000 0.269 1057 T C 0.943 175.702 174.700 0.099 0.000 1.047 1057 T CA 1.572 63.701 62.100 0.049 0.000 1.139 1057 T CB -0.064 68.797 68.868 -0.012 0.000 0.855 1057 T HN 0.311 nan 8.240 nan 0.000 0.471 1058 S N -1.192 114.556 115.700 0.081 0.000 2.586 1058 S HA 0.477 4.945 4.470 -0.004 0.000 0.274 1058 S C 1.069 175.693 174.600 0.039 0.000 1.281 1058 S CA -0.214 58.018 58.200 0.053 0.000 1.035 1058 S CB 1.008 64.225 63.200 0.028 0.000 0.962 1058 S HN 0.610 nan 8.310 nan 0.000 0.512 1059 V N 2.536 122.441 119.914 -0.016 0.000 0.434 1059 V HA -0.269 3.848 4.120 -0.004 0.000 0.092 1059 V C -0.379 175.612 176.094 -0.172 0.000 2.581 1059 V CA 1.986 64.198 62.300 -0.146 0.000 3.733 1059 V CB -2.284 29.331 31.823 -0.347 0.000 1.002 1059 V HN 0.882 nan 8.190 nan 0.000 1.053 1060 Y N 1.089 121.523 120.300 0.222 0.000 2.509 1060 Y HA 0.781 5.329 4.550 -0.004 0.000 0.341 1060 Y C 0.337 176.402 175.900 0.274 0.000 1.038 1060 Y CA -0.103 58.141 58.100 0.239 0.000 1.089 1060 Y CB 2.095 40.677 38.460 0.204 0.000 1.241 1060 Y HN 0.489 nan 8.280 nan 0.000 0.468 1061 S N 0.297 116.253 115.700 0.426 0.000 2.752 1061 S HA 0.538 5.006 4.470 -0.004 0.000 0.284 1061 S C -1.480 173.312 174.600 0.321 0.000 1.189 1061 S CA -1.261 57.172 58.200 0.387 0.000 0.835 1061 S CB 2.213 65.540 63.200 0.212 0.000 1.192 1061 S HN 0.626 nan 8.310 nan 0.000 0.506 1062 Q N -0.216 119.750 119.800 0.277 0.000 2.266 1062 Q HA 0.551 4.889 4.340 -0.004 0.000 0.261 1062 Q C 0.485 176.558 176.000 0.121 0.000 0.985 1062 Q CA -0.867 55.045 55.803 0.181 0.000 0.873 1062 Q CB 1.374 30.217 28.738 0.175 0.000 1.306 1062 Q HN 0.716 nan 8.270 nan 0.000 0.447 1063 L N 2.353 123.647 121.223 0.119 0.000 2.145 1063 L HA 0.299 4.637 4.340 -0.004 0.000 0.201 1063 L C -1.028 175.877 176.870 0.058 0.000 1.075 1063 L CA 0.483 55.381 54.840 0.097 0.000 0.773 1063 L CB -1.658 40.471 42.059 0.117 0.000 0.936 1063 L HN 0.538 nan 8.230 nan 0.000 0.451 1064 P HA 0.125 nan 4.420 nan 0.000 0.234 1064 P C 0.967 178.267 177.300 -0.001 0.000 1.167 1064 P CA 1.595 64.705 63.100 0.016 0.000 0.763 1064 P CB 0.339 32.041 31.700 0.003 0.000 0.835 1065 G N -0.302 108.502 108.800 0.006 0.000 2.261 1065 G HA2 -0.127 3.831 3.960 -0.004 0.000 0.228 1065 G HA3 -0.127 3.831 3.960 -0.004 0.000 0.228 1065 G C -0.929 173.970 174.900 -0.001 0.000 2.090 1065 G CA -0.461 44.639 45.100 -0.001 0.000 1.588 1065 G HN 0.394 nan 8.290 nan 0.000 0.520 1066 Q N 0.777 120.565 119.800 -0.019 0.000 2.334 1066 Q HA 0.517 4.854 4.340 -0.004 0.000 0.249 1066 Q C -1.802 174.162 176.000 -0.060 0.000 0.909 1066 Q CA -0.291 55.498 55.803 -0.023 0.000 0.823 1066 Q CB 2.489 31.220 28.738 -0.013 0.000 1.353 1066 Q HN 0.525 nan 8.270 nan 0.000 0.433 1067 E N 1.061 121.206 120.200 -0.091 0.000 2.176 1067 E HA 0.497 4.845 4.350 -0.004 0.000 0.267 1067 E C -0.336 176.235 176.600 -0.049 0.000 0.893 1067 E CA -0.495 55.793 56.400 -0.186 0.000 0.761 1067 E CB 1.635 31.073 29.700 -0.436 0.000 1.133 1067 E HN 0.689 nan 8.360 nan 0.000 0.409 1068 A N 3.621 126.484 122.820 0.072 0.000 2.370 1068 A HA 0.094 4.411 4.320 -0.004 0.000 0.238 1068 A C 0.477 178.230 177.584 0.282 0.000 1.289 1068 A CA -0.171 51.950 52.037 0.140 0.000 0.885 1068 A CB -0.294 18.775 19.000 0.115 0.000 0.961 1068 A HN 0.513 nan 8.150 nan 0.000 0.499 1069 F N 0.417 120.344 119.950 -0.040 0.000 2.664 1069 F HA -0.057 4.467 4.527 -0.004 0.000 0.297 1069 F C 1.855 177.626 175.800 -0.049 0.000 1.164 1069 F CA 0.458 58.429 58.000 -0.048 0.000 1.472 1069 F CB -0.628 38.311 39.000 -0.102 0.000 1.108 1069 F HN 0.440 nan 8.300 nan 0.000 0.596 1070 M N -0.657 119.029 119.600 0.143 0.000 2.738 1070 M HA 0.324 4.802 4.480 -0.004 0.000 0.295 1070 M C 0.131 176.447 176.300 0.026 0.000 1.266 1070 M CA 0.271 55.613 55.300 0.071 0.000 0.985 1070 M CB 0.245 32.904 32.600 0.098 0.000 1.365 1070 M HN -0.028 nan 8.290 nan 0.000 0.492 1071 R N 1.281 121.802 120.500 0.035 0.000 3.107 1071 R HA 0.617 4.955 4.340 -0.004 0.000 0.251 1071 R C -1.428 174.890 176.300 0.030 0.000 1.818 1071 R CA -0.006 56.102 56.100 0.014 0.000 1.228 1071 R CB 0.872 31.186 30.300 0.022 0.000 1.459 1071 R HN 0.405 nan 8.270 nan 0.000 0.520 1072 A N 1.981 124.818 122.820 0.027 0.000 2.240 1072 A HA 0.608 4.925 4.320 -0.004 0.000 0.292 1072 A C -0.687 177.014 177.584 0.195 0.000 1.121 1072 A CA -0.351 51.761 52.037 0.125 0.000 0.851 1072 A CB 1.180 20.335 19.000 0.258 0.000 1.167 1072 A HN 0.653 nan 8.150 nan 0.000 0.503 1073 Q N -1.314 118.649 119.800 0.272 0.000 2.426 1073 Q HA 0.533 4.871 4.340 -0.004 0.000 0.278 1073 Q C -1.912 174.167 176.000 0.133 0.000 1.007 1073 Q CA -0.443 55.496 55.803 0.228 0.000 0.850 1073 Q CB 2.219 31.013 28.738 0.094 0.000 1.427 1073 Q HN 0.671 nan 8.270 nan 0.000 0.391 1074 T N 1.918 116.540 114.554 0.114 0.000 2.965 1074 T HA 0.274 4.622 4.350 -0.004 0.000 0.306 1074 T C -1.087 173.611 174.700 -0.003 0.000 0.991 1074 T CA -0.429 61.611 62.100 -0.101 0.000 1.001 1074 T CB 1.477 70.389 68.868 0.075 0.000 0.984 1074 T HN 0.462 nan 8.240 nan 0.000 0.446 1075 T N 3.222 117.687 114.554 -0.147 0.000 2.801 1075 T HA 0.467 4.815 4.350 -0.004 0.000 0.306 1075 T C 0.072 174.948 174.700 0.293 0.000 1.020 1075 T CA -0.180 61.959 62.100 0.064 0.000 0.948 1075 T CB 0.182 69.068 68.868 0.030 0.000 0.962 1075 T HN 0.499 nan 8.240 nan 0.000 0.465 1076 T N 4.081 118.854 114.554 0.366 0.000 2.918 1076 T HA 0.598 4.945 4.350 -0.004 0.000 0.283 1076 T C -0.363 174.382 174.700 0.075 0.000 1.001 1076 T CA -0.512 61.773 62.100 0.308 0.000 1.041 1076 T CB 1.251 70.243 68.868 0.207 0.000 1.028 1076 T HN 0.491 nan 8.240 nan 0.000 0.511 1077 V N 2.986 122.851 119.914 -0.083 0.000 2.604 1077 V HA 0.423 4.540 4.120 -0.004 0.000 0.305 1077 V C -0.562 175.277 176.094 -0.425 0.000 1.043 1077 V CA -0.755 61.436 62.300 -0.182 0.000 0.888 1077 V CB 1.693 33.415 31.823 -0.169 0.000 0.995 1077 V HN 0.615 nan 8.190 nan 0.000 0.429 1078 L N 3.454 124.495 121.223 -0.303 0.000 3.030 1078 L HA 0.365 4.702 4.340 -0.004 0.000 0.252 1078 L C 0.595 177.310 176.870 -0.258 0.000 1.316 1078 L CA 0.407 55.029 54.840 -0.364 0.000 0.975 1078 L CB 0.444 42.368 42.059 -0.225 0.000 1.357 1078 L HN 0.751 nan 8.230 nan 0.000 0.534 1079 E N 2.437 122.466 120.200 -0.285 0.000 2.104 1079 E HA 0.180 4.528 4.350 -0.004 0.000 0.278 1079 E C -0.681 175.795 176.600 -0.207 0.000 1.127 1079 E CA -0.095 56.176 56.400 -0.216 0.000 0.897 1079 E CB 0.381 29.931 29.700 -0.250 0.000 1.043 1079 E HN 0.143 nan 8.360 nan 0.000 0.410 1080 K N 4.858 125.212 120.400 -0.076 0.000 2.637 1080 K HA 0.156 4.473 4.320 -0.004 0.000 0.248 1080 K C -1.488 175.186 176.600 0.122 0.000 0.971 1080 K CA -0.705 55.581 56.287 -0.001 0.000 0.858 1080 K CB 1.231 33.761 32.500 0.049 0.000 1.170 1080 K HN 0.457 nan 8.250 nan 0.000 0.443 1081 Y N 2.322 122.655 120.300 0.056 0.000 2.612 1081 Y HA 0.369 4.916 4.550 -0.004 0.000 0.334 1081 Y C 0.360 176.316 175.900 0.094 0.000 1.227 1081 Y CA -0.038 58.127 58.100 0.109 0.000 1.356 1081 Y CB 0.821 39.422 38.460 0.234 0.000 1.534 1081 Y HN 0.546 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.028 120.400 -0.621 0.000 2.780 1082 K HA 0.000 4.317 4.320 -0.004 0.000 0.191 1082 K CA 0.000 56.035 56.287 -0.419 0.000 0.838 1082 K CB 0.000 32.421 32.500 -0.132 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543