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_C DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPRXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXSSFEL 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 0.086 0.000 0.967 1 F CA 0.000 58.070 58.000 0.116 0.000 1.383 1 F CB 0.000 39.042 39.000 0.070 0.000 1.145 2 N N 2.248 120.916 118.700 -0.053 0.000 2.735 2 N HA 0.352 5.092 4.740 -0.001 0.000 0.312 2 N C -1.206 174.311 175.510 0.012 0.000 1.843 2 N CA -0.087 52.970 53.050 0.012 0.000 0.945 2 N CB 0.862 39.324 38.487 -0.042 0.000 1.299 2 N HN 0.416 nan 8.380 nan 0.000 0.489 3 L N 0.625 121.872 121.223 0.041 0.000 2.276 3 L HA 0.268 4.608 4.340 -0.001 0.000 0.286 3 L C 0.113 177.010 176.870 0.045 0.000 1.024 3 L CA -0.898 53.966 54.840 0.041 0.000 0.826 3 L CB 1.211 43.300 42.059 0.051 0.000 1.211 3 L HN 0.087 nan 8.230 nan 0.000 0.422 4 D N 1.914 122.336 120.400 0.038 0.000 2.493 4 D HA 0.002 4.642 4.640 -0.001 0.000 0.240 4 D C 0.117 176.435 176.300 0.029 0.000 1.142 4 D CA 0.520 54.541 54.000 0.034 0.000 0.872 4 D CB 0.937 41.754 40.800 0.029 0.000 1.173 4 D HN 0.469 nan 8.370 nan 0.000 0.467 5 T N 4.320 118.887 114.554 0.022 0.000 3.448 5 T HA 0.229 4.578 4.350 -0.001 0.000 0.271 5 T C 0.259 174.958 174.700 -0.002 0.000 1.002 5 T CA -0.574 61.530 62.100 0.008 0.000 0.995 5 T CB 0.380 69.251 68.868 0.005 0.000 1.153 5 T HN 0.356 nan 8.240 nan 0.000 0.510 6 E N 0.813 121.014 120.200 0.002 0.000 3.902 6 E HA 0.094 4.444 4.350 -0.001 0.000 0.247 6 E C -0.133 176.464 176.600 -0.004 0.000 1.284 6 E CA 0.078 56.476 56.400 -0.003 0.000 1.773 6 E CB 0.205 29.907 29.700 0.003 0.000 1.684 6 E HN 0.147 nan 8.360 nan 0.000 0.762 7 E N 2.343 122.547 120.200 0.007 0.000 2.026 7 E HA 0.315 4.665 4.350 -0.001 0.000 0.253 7 E C -0.056 176.556 176.600 0.020 0.000 1.056 7 E CA -0.140 56.266 56.400 0.010 0.000 0.927 7 E CB 0.093 29.806 29.700 0.021 0.000 1.172 7 E HN 0.113 nan 8.360 nan 0.000 0.445 8 L N -1.242 119.985 121.223 0.006 0.000 2.257 8 L HA 0.714 5.053 4.340 -0.001 0.000 0.257 8 L C 0.237 177.095 176.870 -0.020 0.000 1.033 8 L CA -1.038 53.810 54.840 0.014 0.000 0.835 8 L CB 0.882 42.947 42.059 0.011 0.000 1.398 8 L HN -0.007 nan 8.230 nan 0.000 0.429 9 T N -1.795 112.740 114.554 -0.032 0.000 2.867 9 T HA 0.899 5.249 4.350 -0.001 0.000 0.282 9 T C -0.292 174.250 174.700 -0.263 0.000 1.000 9 T CA -0.125 61.869 62.100 -0.177 0.000 1.042 9 T CB 1.459 70.219 68.868 -0.180 0.000 0.973 9 T HN 1.141 nan 8.240 nan 0.000 0.465 10 A N 2.411 124.996 122.820 -0.391 0.000 2.375 10 A HA 0.684 5.004 4.320 -0.001 0.000 0.295 10 A C -1.174 176.193 177.584 -0.361 0.000 1.066 10 A CA -0.850 51.023 52.037 -0.273 0.000 0.722 10 A CB 0.610 19.535 19.000 -0.124 0.000 1.206 10 A HN 0.722 nan 8.150 nan 0.000 0.435 11 F N 2.343 122.336 119.950 0.072 0.000 2.308 11 F HA 0.416 4.943 4.527 -0.001 0.000 0.370 11 F C 1.225 177.055 175.800 0.051 0.000 1.100 11 F CA -0.490 57.546 58.000 0.060 0.000 1.108 11 F CB 1.420 40.501 39.000 0.135 0.000 1.293 11 F HN 0.645 nan 8.300 nan 0.000 0.478 12 R N 2.037 122.594 120.500 0.095 0.000 3.256 12 R HA 0.545 4.885 4.340 -0.001 0.000 0.263 12 R C -1.569 174.601 176.300 -0.216 0.000 1.388 12 R CA -0.384 55.704 56.100 -0.020 0.000 1.580 12 R CB 0.128 30.415 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 -0.567 0.000 2.353 13 V HA 0.032 4.152 4.120 -0.001 0.000 0.264 13 V C 0.084 175.696 176.094 -0.803 0.000 1.049 13 V CA -0.492 61.302 62.300 -0.843 0.000 0.896 13 V CB 0.956 31.977 31.823 -1.336 0.000 1.025 13 V HN 0.536 nan 8.190 nan 0.000 0.475 14 D N 3.884 124.059 120.400 -0.375 0.000 2.435 14 D HA 0.152 4.791 4.640 -0.001 0.000 0.230 14 D C 0.248 176.476 176.300 -0.120 0.000 1.215 14 D CA 0.280 54.169 54.000 -0.185 0.000 0.947 14 D CB 0.504 41.244 40.800 -0.099 0.000 1.048 14 D HN 0.474 nan 8.370 nan 0.000 0.512 15 S N 2.257 117.933 115.700 -0.040 0.000 2.327 15 S HA 0.582 5.052 4.470 -0.001 0.000 0.203 15 S C 0.540 175.242 174.600 0.169 0.000 1.326 15 S CA -0.037 58.220 58.200 0.095 0.000 1.248 15 S CB 0.529 63.855 63.200 0.212 0.000 1.199 15 S HN 0.713 nan 8.310 nan 0.000 0.422 16 A N 1.603 124.494 122.820 0.119 0.000 5.090 16 A HA -0.204 4.116 4.320 -0.001 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 1.252 nan 8.150 nan 0.000 0.362 17 G N -1.024 107.868 108.800 0.153 0.000 3.374 17 G HA2 0.422 4.382 3.960 -0.001 0.000 0.252 17 G HA3 0.422 4.382 3.960 -0.001 0.000 0.252 17 G C 0.189 175.190 174.900 0.169 0.000 1.326 17 G CA 0.743 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 4.939 4.527 -0.001 0.000 0.344 18 F C 1.291 177.138 175.800 0.078 0.000 1.155 18 F CA 0.747 58.801 58.000 0.089 0.000 1.302 18 F CB 0.918 39.969 39.000 0.085 0.000 1.159 18 F HN 0.256 nan 8.300 nan 0.000 0.595 19 G N 4.000 112.301 108.800 -0.832 0.000 2.338 19 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.296 19 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.296 19 G C 0.287 175.116 174.900 -0.119 0.000 1.040 19 G CA 0.642 45.486 45.100 -0.427 0.000 1.004 19 G HN 0.870 nan 8.290 nan 0.000 0.509 20 D N -1.003 119.325 120.400 -0.120 0.000 2.454 20 D HA 0.283 4.923 4.640 -0.001 0.000 0.219 20 D C 0.773 177.043 176.300 -0.051 0.000 1.081 20 D CA 1.153 55.139 54.000 -0.023 0.000 0.867 20 D CB 0.624 41.432 40.800 0.012 0.000 1.054 20 D HN 0.434 nan 8.370 nan 0.000 0.500 21 S N -0.060 115.583 115.700 -0.096 0.000 2.566 21 S HA 0.601 5.070 4.470 -0.001 0.000 0.273 21 S C -1.766 172.777 174.600 -0.095 0.000 1.157 21 S CA -0.586 57.562 58.200 -0.086 0.000 0.938 21 S CB 1.242 64.387 63.200 -0.092 0.000 1.087 21 S HN -0.065 nan 8.310 nan 0.000 0.474 22 V N 4.751 124.627 119.914 -0.063 0.000 3.114 22 V HA 0.996 5.115 4.120 -0.001 0.000 0.308 22 V C -1.318 174.775 176.094 -0.002 0.000 1.168 22 V CA -0.260 62.014 62.300 -0.042 0.000 1.015 22 V CB 2.054 33.856 31.823 -0.034 0.000 1.050 22 V HN 0.975 nan 8.190 nan 0.000 0.433 23 V N 3.880 123.810 119.914 0.027 0.000 3.120 23 V HA 0.530 4.650 4.120 -0.001 0.000 0.303 23 V C -1.224 174.929 176.094 0.097 0.000 1.238 23 V CA -0.606 61.729 62.300 0.058 0.000 1.008 23 V CB 2.595 34.459 31.823 0.069 0.000 1.064 23 V HN 0.958 nan 8.190 nan 0.000 0.434 24 Q N 3.638 123.497 119.800 0.098 0.000 2.296 24 Q HA 0.211 4.551 4.340 -0.001 0.000 0.263 24 Q C -0.973 175.130 176.000 0.172 0.000 1.026 24 Q CA 0.155 56.031 55.803 0.122 0.000 0.912 24 Q CB 1.134 29.917 28.738 0.075 0.000 1.198 24 Q HN 0.691 nan 8.270 nan 0.000 0.407 25 Y N 1.746 122.087 120.300 0.068 0.000 2.356 25 Y HA 0.374 4.924 4.550 -0.001 0.000 0.341 25 Y C 0.112 176.052 175.900 0.066 0.000 1.343 25 Y CA -1.136 57.001 58.100 0.062 0.000 1.570 25 Y CB 0.452 38.974 38.460 0.103 0.000 1.558 25 Y HN 0.679 nan 8.280 nan 0.000 0.557 26 A N 2.903 125.256 122.820 -0.780 0.000 2.600 26 A HA -0.137 4.182 4.320 -0.001 0.000 0.244 26 A C 1.172 178.677 177.584 -0.132 0.000 1.016 26 A CA 0.446 52.166 52.037 -0.528 0.000 0.778 26 A CB -0.496 18.047 19.000 -0.761 0.000 0.920 26 A HN 0.892 nan 8.150 nan 0.000 0.513 27 N N 1.971 120.634 118.700 -0.062 0.000 2.202 27 N HA -0.190 4.550 4.740 -0.001 0.000 0.197 27 N C 1.697 177.240 175.510 0.054 0.000 0.995 27 N CA 2.019 55.073 53.050 0.006 0.000 0.894 27 N CB -0.378 38.100 38.487 -0.015 0.000 1.010 27 N HN 0.682 nan 8.380 nan 0.000 0.453 28 S N -1.079 114.682 115.700 0.103 0.000 2.474 28 S HA -0.029 4.441 4.470 -0.001 0.000 0.235 28 S C 0.112 174.664 174.600 -0.081 0.000 0.997 28 S CA 0.647 58.876 58.200 0.049 0.000 0.949 28 S CB 0.054 63.348 63.200 0.157 0.000 0.766 28 S HN 0.385 nan 8.310 nan 0.000 0.517 29 W N -1.143 120.245 121.300 0.147 0.000 3.032 29 W HA 0.689 5.349 4.660 -0.001 0.000 0.341 29 W C -0.978 175.659 176.519 0.196 0.000 1.202 29 W CA -0.739 56.725 57.345 0.198 0.000 1.132 29 W CB 0.998 30.634 29.460 0.293 0.000 1.465 29 W HN -0.307 nan 8.180 nan 0.000 0.576 30 V N 2.370 122.522 119.914 0.396 0.000 2.577 30 V HA 0.705 4.825 4.120 -0.001 0.000 0.303 30 V C -1.582 174.614 176.094 0.170 0.000 1.042 30 V CA -0.932 61.519 62.300 0.252 0.000 0.872 30 V CB 1.661 33.601 31.823 0.195 0.000 0.998 30 V HN 0.344 nan 8.190 nan 0.000 0.423 31 V N 7.417 127.392 119.914 0.102 0.000 2.394 31 V HA 0.575 4.694 4.120 -0.001 0.000 0.282 31 V C 0.081 176.166 176.094 -0.015 0.000 1.031 31 V CA -0.182 62.121 62.300 0.005 0.000 0.881 31 V CB 1.743 33.510 31.823 -0.093 0.000 0.982 31 V HN 0.879 nan 8.190 nan 0.000 0.451 32 V N 2.359 122.250 119.914 -0.039 0.000 2.994 32 V HA 1.049 5.168 4.120 -0.001 0.000 0.318 32 V C 0.313 176.318 176.094 -0.149 0.000 1.085 32 V CA -0.534 61.672 62.300 -0.156 0.000 0.998 32 V CB 1.756 33.354 31.823 -0.375 0.000 1.063 32 V HN 0.886 nan 8.190 nan 0.000 0.447 33 G N 0.335 109.011 108.800 -0.206 0.000 2.495 33 G HA2 0.754 4.714 3.960 -0.001 0.000 0.318 33 G HA3 0.754 4.714 3.960 -0.001 0.000 0.318 33 G C -0.538 174.298 174.900 -0.107 0.000 1.257 33 G CA -0.405 44.622 45.100 -0.121 0.000 0.962 33 G HN 1.666 nan 8.290 nan 0.000 0.483 34 A N 3.667 126.487 122.820 -0.001 0.000 3.082 34 A HA 0.672 4.992 4.320 -0.001 0.000 0.328 34 A C -1.755 175.862 177.584 0.056 0.000 1.089 34 A CA -1.149 50.937 52.037 0.082 0.000 0.802 34 A CB 1.393 20.545 19.000 0.253 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 0.703 178.031 177.300 0.048 0.000 1.150 35 P CA 1.437 64.555 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 -0.858 118.980 119.800 0.063 0.000 2.242 36 Q HA 0.111 4.451 4.340 -0.001 0.000 0.246 36 Q C 0.316 176.359 176.000 0.072 0.000 0.883 36 Q CA 0.120 55.962 55.803 0.065 0.000 0.984 36 Q CB -0.401 28.378 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 0.174 4.493 4.320 -0.001 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 -0.201 32.356 32.500 0.095 0.000 1.694 37 K HN 0.279 nan 8.250 nan 0.000 0.361 38 I N 3.329 123.922 120.570 0.038 0.000 3.089 38 I HA -0.192 3.978 4.170 -0.001 0.000 0.321 38 I C 0.367 176.492 176.117 0.013 0.000 1.222 38 I CA 1.077 62.392 61.300 0.023 0.000 1.452 38 I CB -0.053 37.960 38.000 0.022 0.000 1.321 38 I HN 0.556 nan 8.210 nan 0.000 0.539 39 T N 3.592 118.149 114.554 0.005 0.000 3.011 39 T HA 0.713 5.062 4.350 -0.001 0.000 0.303 39 T C -0.028 174.669 174.700 -0.005 0.000 0.997 39 T CA -0.108 61.990 62.100 -0.005 0.000 1.007 39 T CB 1.865 70.722 68.868 -0.019 0.000 1.017 39 T HN 1.264 nan 8.240 nan 0.000 0.443 40 A N 2.476 125.293 122.820 -0.005 0.000 5.691 40 A HA 0.256 4.576 4.320 -0.001 0.000 0.271 40 A C 0.746 178.327 177.584 -0.005 0.000 2.133 40 A CA 0.104 52.137 52.037 -0.005 0.000 0.713 40 A CB -1.691 17.306 19.000 -0.006 0.000 1.115 40 A HN 2.560 nan 8.150 nan 0.000 0.356 41 A N 0.231 123.047 122.820 -0.006 0.000 2.391 41 A HA 0.522 4.841 4.320 -0.001 0.000 0.316 41 A C 0.607 178.181 177.584 -0.017 0.000 1.381 41 A CA 0.494 52.524 52.037 -0.011 0.000 0.998 41 A CB -0.816 18.178 19.000 -0.011 0.000 1.147 41 A HN 1.673 nan 8.150 nan 0.000 0.545 42 N N 1.208 119.896 118.700 -0.020 0.000 2.698 42 N HA -0.209 4.531 4.740 -0.001 0.000 0.258 42 N C 0.365 175.861 175.510 -0.024 0.000 0.978 42 N CA 1.584 54.616 53.050 -0.031 0.000 0.777 42 N CB -0.591 37.858 38.487 -0.063 0.000 0.907 42 N HN 0.948 nan 8.380 nan 0.000 0.543 43 Q N -0.693 119.107 119.800 -0.001 0.000 3.071 43 Q HA 0.294 4.634 4.340 -0.001 0.000 0.204 43 Q C 1.052 177.073 176.000 0.034 0.000 1.165 43 Q CA 0.017 55.832 55.803 0.019 0.000 0.372 43 Q CB 0.420 29.168 28.738 0.016 0.000 5.650 43 Q HN 0.419 nan 8.270 nan 0.000 0.309 44 T N -2.590 111.982 114.554 0.031 0.000 2.833 44 T HA 0.485 4.834 4.350 -0.001 0.000 0.312 44 T C 0.776 175.486 174.700 0.017 0.000 1.085 44 T CA -0.091 62.029 62.100 0.033 0.000 0.955 44 T CB 0.559 69.439 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 4.582 3.960 -0.001 0.000 0.211 45 G HA3 0.623 4.582 3.960 -0.001 0.000 0.211 45 G C 0.510 175.383 174.900 -0.045 0.000 1.726 45 G CA -0.013 45.088 45.100 0.001 0.000 0.725 45 G HN 1.621 nan 8.290 nan 0.000 0.654 46 G N -1.247 107.503 108.800 -0.083 0.000 2.317 46 G HA2 0.357 4.316 3.960 -0.001 0.000 0.445 46 G HA3 0.357 4.316 3.960 -0.001 0.000 0.445 46 G C -1.386 173.382 174.900 -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 -0.388 120.643 121.223 -0.321 0.000 2.313 47 L HA 0.825 5.165 4.340 -0.001 0.000 0.268 47 L C -0.904 175.721 176.870 -0.407 0.000 1.010 47 L CA -1.196 53.487 54.840 -0.260 0.000 0.814 47 L CB 2.080 44.015 42.059 -0.207 0.000 1.304 47 L HN 0.578 nan 8.230 nan 0.000 0.441 48 Y N 0.036 120.325 120.300 -0.017 0.000 2.396 48 Y HA 0.290 4.839 4.550 -0.001 0.000 0.332 48 Y C -0.523 175.363 175.900 -0.024 0.000 1.034 48 Y CA -0.923 57.188 58.100 0.018 0.000 1.057 48 Y CB 2.093 40.657 38.460 0.174 0.000 1.220 48 Y HN 0.457 nan 8.280 nan 0.000 0.440 49 Q N 2.013 121.894 119.800 0.134 0.000 2.271 49 Q HA 0.791 5.130 4.340 -0.001 0.000 0.258 49 Q C -1.319 174.851 176.000 0.282 0.000 0.936 49 Q CA -0.576 55.302 55.803 0.125 0.000 0.909 49 Q CB 1.601 30.261 28.738 -0.132 0.000 1.253 49 Q HN 0.618 nan 8.270 nan 0.000 0.440 50 c N 2.504 121.258 118.600 0.257 0.000 2.498 50 c HA 0.876 5.445 4.570 -0.001 0.000 0.316 50 c C 0.448 174.510 174.090 -0.047 0.000 1.209 50 c CA -0.480 55.786 56.329 -0.106 0.000 1.518 50 c CB 1.171 43.125 42.510 -0.927 0.000 2.147 50 c HN 1.014 nan 8.230 nan 0.000 0.483 51 G N 0.158 108.806 108.800 -0.255 0.000 2.441 51 G HA2 0.469 4.429 3.960 -0.001 0.000 0.334 51 G HA3 0.469 4.429 3.960 -0.001 0.000 0.334 51 G C -0.227 174.679 174.900 0.010 0.000 1.161 51 G CA -0.166 44.654 45.100 -0.466 0.000 0.935 51 G HN 0.792 nan 8.290 nan 0.000 0.488 52 Y N 0.912 121.154 120.300 -0.097 0.000 2.243 52 Y HA -0.033 4.517 4.550 -0.001 0.000 0.293 52 Y C 2.871 178.762 175.900 -0.015 0.000 1.124 52 Y CA 2.068 60.183 58.100 0.025 0.000 1.159 52 Y CB -0.097 38.354 38.460 -0.015 0.000 1.008 52 Y HN 0.455 nan 8.280 nan 0.000 0.527 53 S N -0.234 115.410 115.700 -0.094 0.000 2.401 53 S HA -0.248 4.222 4.470 -0.001 0.000 0.236 53 S C 0.895 175.365 174.600 -0.216 0.000 1.058 53 S CA 2.003 60.110 58.200 -0.155 0.000 1.151 53 S CB -1.221 61.929 63.200 -0.084 0.000 1.049 53 S HN 0.666 nan 8.310 nan 0.000 0.432 54 T N -0.341 114.137 114.554 -0.127 0.000 2.779 54 T HA 0.619 4.969 4.350 -0.001 0.000 0.280 54 T C 0.089 174.795 174.700 0.011 0.000 0.987 54 T CA -0.475 61.577 62.100 -0.079 0.000 0.966 54 T CB 1.737 70.587 68.868 -0.031 0.000 0.933 54 T HN 0.240 nan 8.240 nan 0.000 0.442 55 G N 1.855 110.646 108.800 -0.014 0.000 2.852 55 G HA2 0.513 4.473 3.960 -0.001 0.000 0.280 55 G HA3 0.513 4.473 3.960 -0.001 0.000 0.280 55 G C 0.042 175.101 174.900 0.265 0.000 0.731 55 G CA -0.196 44.966 45.100 0.104 0.000 2.037 55 G HN 1.256 nan 8.290 nan 0.000 0.560 56 A N 0.841 123.905 122.820 0.406 0.000 2.605 56 A HA 0.605 4.925 4.320 -0.001 0.000 0.294 56 A C -0.833 176.760 177.584 0.015 0.000 1.062 56 A CA -0.594 51.553 52.037 0.182 0.000 0.682 56 A CB 0.983 20.028 19.000 0.076 0.000 1.278 56 A HN 0.623 nan 8.150 nan 0.000 0.410 57 c N 1.790 120.344 118.600 -0.076 0.000 2.322 57 c HA 0.732 5.302 4.570 -0.001 0.000 0.324 57 c C -0.208 173.878 174.090 -0.007 0.000 1.284 57 c CA -0.646 55.605 56.329 -0.131 0.000 1.606 57 c CB 0.717 43.061 42.510 -0.276 0.000 2.251 57 c HN 0.758 nan 8.230 nan 0.000 0.502 58 E N 3.188 123.471 120.200 0.138 0.000 2.175 58 E HA 0.363 4.712 4.350 -0.001 0.000 0.278 58 E C -2.342 174.436 176.600 0.297 0.000 0.969 58 E CA -1.970 54.539 56.400 0.180 0.000 0.796 58 E CB 1.127 30.919 29.700 0.153 0.000 1.104 58 E HN 0.399 nan 8.360 nan 0.000 0.395 59 P HA 0.073 nan 4.420 nan 0.000 0.268 59 P C -0.172 177.092 177.300 -0.060 0.000 1.208 59 P CA 0.154 63.315 63.100 0.101 0.000 0.777 59 P CB 0.598 32.334 31.700 0.061 0.000 0.875 60 I N 0.977 121.426 120.570 -0.201 0.000 2.404 60 I HA 0.479 4.649 4.170 -0.001 0.000 0.293 60 I C 0.433 176.424 176.117 -0.209 0.000 0.992 60 I CA -0.697 60.480 61.300 -0.204 0.000 1.149 60 I CB 1.252 39.103 38.000 -0.247 0.000 1.315 60 I HN 0.340 nan 8.210 nan 0.000 0.446 61 G N 7.870 116.566 108.800 -0.173 0.000 2.365 61 G HA2 0.442 4.402 3.960 -0.001 0.000 0.249 61 G HA3 0.442 4.402 3.960 -0.001 0.000 0.249 61 G C -0.927 173.854 174.900 -0.198 0.000 1.288 61 G CA -0.207 44.798 45.100 -0.159 0.000 0.887 61 G HN 0.574 nan 8.290 nan 0.000 0.524 62 L N 1.403 122.502 121.223 -0.208 0.000 2.482 62 L HA 0.266 4.605 4.340 -0.001 0.000 0.263 62 L C -0.818 175.927 176.870 -0.209 0.000 0.957 62 L CA -0.906 53.769 54.840 -0.276 0.000 0.836 62 L CB 2.645 44.459 42.059 -0.408 0.000 1.324 62 L HN 0.409 nan 8.230 nan 0.000 0.406 63 Q N 2.297 121.988 119.800 -0.183 0.000 2.810 63 Q HA 0.277 4.617 4.340 -0.001 0.000 0.236 63 Q C -0.643 175.318 176.000 -0.065 0.000 1.278 63 Q CA -0.188 55.558 55.803 -0.095 0.000 1.065 63 Q CB 0.799 29.510 28.738 -0.044 0.000 1.364 63 Q HN 0.301 nan 8.270 nan 0.000 0.570 64 V N 3.719 123.582 119.914 -0.085 0.000 2.421 64 V HA 0.136 4.255 4.120 -0.001 0.000 0.271 64 V C -1.843 174.270 176.094 0.032 0.000 1.031 64 V CA -1.430 60.861 62.300 -0.015 0.000 1.032 64 V CB -0.147 31.651 31.823 -0.042 0.000 1.009 64 V HN 0.516 nan 8.190 nan 0.000 0.477 65 P HA 0.201 nan 4.420 nan 0.000 0.268 65 P C -2.024 175.300 177.300 0.040 0.000 1.205 65 P CA -1.389 61.741 63.100 0.050 0.000 0.771 65 P CB 0.156 31.888 31.700 0.054 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 1.328 64.442 63.100 0.024 0.000 0.808 66 P CB 0.055 31.765 31.700 0.015 0.000 0.779 67 E N 0.289 120.508 120.200 0.032 0.000 2.038 67 E HA -0.098 4.252 4.350 -0.001 0.000 0.195 67 E C 1.128 177.761 176.600 0.055 0.000 1.000 67 E CA 0.898 57.319 56.400 0.035 0.000 0.803 67 E CB -1.103 28.603 29.700 0.011 0.000 0.750 67 E HN 0.145 nan 8.360 nan 0.000 0.448 68 A N 2.375 125.228 122.820 0.055 0.000 2.438 68 A HA 0.311 4.631 4.320 -0.001 0.000 0.280 68 A C 0.040 177.679 177.584 0.093 0.000 1.160 68 A CA -0.057 52.024 52.037 0.074 0.000 0.821 68 A CB 0.159 19.208 19.000 0.081 0.000 1.101 68 A HN -0.031 nan 8.150 nan 0.000 0.515 69 V N 3.017 123.006 119.914 0.124 0.000 2.864 69 V HA 0.324 4.443 4.120 -0.001 0.000 0.314 69 V C 0.930 177.141 176.094 0.196 0.000 1.073 69 V CA -0.558 61.815 62.300 0.121 0.000 0.956 69 V CB 1.608 33.489 31.823 0.095 0.000 1.023 69 V HN 1.049 nan 8.190 nan 0.000 0.435 70 N N 2.215 120.979 118.700 0.107 0.000 2.696 70 N HA -0.252 4.487 4.740 -0.001 0.000 0.254 70 N C 0.885 176.545 175.510 0.249 0.000 0.988 70 N CA 1.526 54.645 53.050 0.115 0.000 0.775 70 N CB -0.401 38.011 38.487 -0.126 0.000 0.933 70 N HN 0.854 nan 8.380 nan 0.000 0.539 71 M N -2.238 117.467 119.600 0.174 0.000 2.514 71 M HA 0.164 4.643 4.480 -0.001 0.000 0.258 71 M C 0.275 176.637 176.300 0.103 0.000 1.119 71 M CA 0.637 56.018 55.300 0.136 0.000 1.111 71 M CB 0.164 32.829 32.600 0.107 0.000 1.390 71 M HN 0.052 nan 8.290 nan 0.000 0.475 72 S N 3.002 118.757 115.700 0.091 0.000 3.242 72 S HA -0.083 4.387 4.470 -0.001 0.000 0.357 72 S C 0.113 174.744 174.600 0.052 0.000 0.897 72 S CA 0.540 58.779 58.200 0.065 0.000 1.349 72 S CB -2.236 61.004 63.200 0.068 0.000 0.981 72 S HN 0.669 nan 8.310 nan 0.000 0.558 73 L N -0.781 120.475 121.223 0.055 0.000 2.476 73 L HA 0.809 5.148 4.340 -0.001 0.000 0.255 73 L C 1.502 178.380 176.870 0.014 0.000 1.218 73 L CA 0.705 55.582 54.840 0.061 0.000 0.819 73 L CB -0.173 41.959 42.059 0.121 0.000 1.119 73 L HN 0.684 nan 8.230 nan 0.000 0.485 74 G N -0.131 108.672 108.800 0.004 0.000 2.258 74 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.233 74 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.233 74 G C 0.655 175.522 174.900 -0.055 0.000 1.006 74 G CA 0.489 45.571 45.100 -0.031 0.000 0.620 74 G HN 0.966 nan 8.290 nan 0.000 0.511 75 L N 1.640 122.829 121.223 -0.058 0.000 2.043 75 L HA 0.347 4.687 4.340 -0.001 0.000 0.212 75 L C 1.412 178.176 176.870 -0.176 0.000 1.075 75 L CA 2.836 57.613 54.840 -0.106 0.000 0.752 75 L CB -0.255 41.743 42.059 -0.102 0.000 0.891 75 L HN 0.551 nan 8.230 nan 0.000 0.432 76 S N -0.903 114.699 115.700 -0.164 0.000 2.478 76 S HA 0.657 5.127 4.470 -0.001 0.000 0.312 76 S C -0.748 173.799 174.600 -0.088 0.000 1.094 76 S CA -0.811 57.278 58.200 -0.184 0.000 1.081 76 S CB 0.521 63.582 63.200 -0.231 0.000 1.007 76 S HN 0.188 nan 8.310 nan 0.000 0.475 77 L N 2.942 124.127 121.223 -0.063 0.000 2.327 77 L HA 1.001 5.341 4.340 -0.001 0.000 0.258 77 L C -0.539 176.361 176.870 0.050 0.000 1.024 77 L CA -0.914 53.926 54.840 -0.001 0.000 0.825 77 L CB 2.201 44.258 42.059 -0.005 0.000 1.386 77 L HN 0.809 nan 8.230 nan 0.000 0.417 78 A N 0.910 123.813 122.820 0.138 0.000 2.583 78 A HA 0.648 4.968 4.320 -0.001 0.000 0.298 78 A C -1.438 176.419 177.584 0.454 0.000 1.055 78 A CA -0.359 51.837 52.037 0.266 0.000 0.714 78 A CB 1.851 21.008 19.000 0.261 0.000 1.277 78 A HN 0.462 nan 8.150 nan 0.000 0.406 79 S N 0.081 115.949 115.700 0.280 0.000 2.549 79 S HA 0.865 5.334 4.470 -0.001 0.000 0.280 79 S C -0.404 173.905 174.600 -0.485 0.000 1.109 79 S CA 0.293 58.464 58.200 -0.049 0.000 0.905 79 S CB 1.937 65.175 63.200 0.062 0.000 1.081 79 S HN 1.646 nan 8.310 nan 0.000 0.477 80 T N 0.471 114.430 114.554 -0.992 0.000 2.940 80 T HA 0.640 4.990 4.350 -0.001 0.000 0.288 80 T C 1.048 175.519 174.700 -0.381 0.000 1.045 80 T CA 0.233 61.873 62.100 -0.766 0.000 1.018 80 T CB 1.337 69.553 68.868 -1.086 0.000 1.151 80 T HN 0.854 nan 8.240 nan 0.000 0.529 81 T N -1.208 113.207 114.554 -0.232 0.000 2.964 81 T HA 0.195 4.545 4.350 -0.001 0.000 0.249 81 T C 1.863 176.498 174.700 -0.108 0.000 1.000 81 T CA 0.669 62.680 62.100 -0.149 0.000 0.992 81 T CB -0.406 68.405 68.868 -0.095 0.000 1.087 81 T HN 0.455 nan 8.240 nan 0.000 0.489 82 S N 3.377 119.025 115.700 -0.088 0.000 2.506 82 S HA -0.058 4.412 4.470 -0.001 0.000 0.312 82 S C -1.606 172.968 174.600 -0.045 0.000 1.079 82 S CA 1.080 59.254 58.200 -0.044 0.000 1.755 82 S CB -1.619 61.572 63.200 -0.015 0.000 1.371 82 S HN 0.492 nan 8.310 nan 0.000 0.430 83 P HA 0.330 nan 4.420 nan 0.000 0.288 83 P C -0.984 176.264 177.300 -0.087 0.000 1.267 83 P CA -0.358 62.715 63.100 -0.045 0.000 0.815 83 P CB 0.931 32.623 31.700 -0.013 0.000 0.989 84 S N 2.722 118.354 115.700 -0.112 0.000 2.509 84 S HA 0.151 4.621 4.470 -0.001 0.000 0.287 84 S C -0.170 174.354 174.600 -0.127 0.000 1.248 84 S CA -0.257 57.836 58.200 -0.179 0.000 1.089 84 S CB -0.322 62.731 63.200 -0.246 0.000 0.900 84 S HN 0.415 nan 8.310 nan 0.000 0.496 85 Q N 1.543 121.264 119.800 -0.131 0.000 2.501 85 Q HA 0.717 5.056 4.340 -0.001 0.000 0.288 85 Q C -1.284 174.792 176.000 0.127 0.000 1.051 85 Q CA -0.916 54.915 55.803 0.046 0.000 0.788 85 Q CB 2.371 31.185 28.738 0.126 0.000 1.469 85 Q HN 0.751 nan 8.270 nan 0.000 0.416 86 L N 1.003 122.424 121.223 0.331 0.000 2.327 86 L HA 0.749 5.089 4.340 -0.001 0.000 0.258 86 L C -2.067 175.008 176.870 0.342 0.000 1.024 86 L CA -1.042 54.002 54.840 0.339 0.000 0.825 86 L CB 2.245 44.431 42.059 0.211 0.000 1.386 86 L HN 0.597 nan 8.230 nan 0.000 0.417 87 L N 2.851 124.252 121.223 0.297 0.000 2.516 87 L HA 0.858 5.197 4.340 -0.001 0.000 0.267 87 L C -1.182 175.748 176.870 0.101 0.000 0.957 87 L CA 0.019 54.967 54.840 0.179 0.000 0.860 87 L CB 1.539 43.661 42.059 0.105 0.000 1.265 87 L HN 0.703 nan 8.230 nan 0.000 0.403 88 A N 3.459 126.336 122.820 0.095 0.000 2.350 88 A HA 0.958 5.278 4.320 -0.001 0.000 0.318 88 A C -1.158 176.478 177.584 0.087 0.000 1.132 88 A CA -0.461 51.627 52.037 0.085 0.000 0.811 88 A CB 1.604 20.660 19.000 0.093 0.000 1.313 88 A HN 0.768 nan 8.150 nan 0.000 0.454 89 c N -0.523 118.108 118.600 0.051 0.000 2.880 89 c HA 0.698 5.268 4.570 -0.001 0.000 0.320 89 c C 0.535 174.640 174.090 0.026 0.000 1.176 89 c CA -0.458 55.869 56.329 -0.002 0.000 1.390 89 c CB 1.591 44.069 42.510 -0.053 0.000 1.846 89 c HN 1.195 nan 8.230 nan 0.000 0.478 90 G N 2.362 111.176 108.800 0.023 0.000 3.005 90 G HA2 0.486 4.445 3.960 -0.001 0.000 0.342 90 G HA3 0.486 4.445 3.960 -0.001 0.000 0.342 90 G C -2.328 172.580 174.900 0.012 0.000 1.101 90 G CA -0.914 44.210 45.100 0.040 0.000 1.225 90 G HN 0.561 nan 8.290 nan 0.000 0.462 91 P HA 0.109 nan 4.420 nan 0.000 0.269 91 P C 0.766 178.102 177.300 0.060 0.000 1.461 91 P CA 0.527 63.662 63.100 0.059 0.000 0.809 91 P CB 0.252 32.035 31.700 0.139 0.000 1.503 92 T N -5.431 109.142 114.554 0.032 0.000 3.714 92 T HA 0.174 4.524 4.350 -0.001 0.000 0.309 92 T C 0.149 174.802 174.700 -0.077 0.000 0.958 92 T CA -0.317 61.777 62.100 -0.010 0.000 1.010 92 T CB -0.809 68.121 68.868 0.103 0.000 1.202 92 T HN -0.276 nan 8.240 nan 0.000 0.476 93 V N 2.537 122.427 119.914 -0.038 0.000 2.788 93 V HA 0.168 4.288 4.120 -0.001 0.000 0.307 93 V C 0.045 176.090 176.094 -0.081 0.000 1.069 93 V CA 0.255 62.569 62.300 0.024 0.000 1.173 93 V CB -0.312 31.525 31.823 0.024 0.000 0.925 93 V HN 0.630 nan 8.190 nan 0.000 0.492 94 H N 2.776 121.899 119.070 0.088 0.000 2.638 94 H HA 0.547 5.103 4.556 -0.001 0.000 0.317 94 H C -0.239 175.150 175.328 0.102 0.000 1.006 94 H CA -0.539 55.547 56.048 0.063 0.000 1.222 94 H CB 0.726 30.499 29.762 0.019 0.000 1.419 94 H HN 0.923 nan 8.280 nan 0.000 0.489 95 H N 0.155 119.290 119.070 0.108 0.000 2.539 95 H HA 0.311 4.867 4.556 -0.001 0.000 0.332 95 H C -0.652 174.726 175.328 0.084 0.000 1.031 95 H CA -1.167 54.931 56.048 0.083 0.000 1.206 95 H CB 0.996 30.793 29.762 0.058 0.000 1.446 95 H HN 0.605 nan 8.280 nan 0.000 0.496 96 E N 2.918 123.152 120.200 0.057 0.000 2.070 96 E HA 0.164 4.514 4.350 -0.001 0.000 0.282 96 E C -0.447 176.177 176.600 0.041 0.000 1.104 96 E CA -0.627 55.771 56.400 -0.003 0.000 0.876 96 E CB 0.514 30.222 29.700 0.013 0.000 1.055 96 E HN 0.637 nan 8.360 nan 0.000 0.401 97 c N 3.888 122.498 118.600 0.017 0.000 2.614 97 c HA 0.378 4.948 4.570 -0.001 0.000 0.299 97 c C 1.417 175.537 174.090 0.049 0.000 1.293 97 c CA 0.297 56.680 56.329 0.090 0.000 1.713 97 c CB -1.507 41.116 42.510 0.188 0.000 1.890 97 c HN 1.102 nan 8.230 nan 0.000 0.602 98 G N 2.553 111.360 108.800 0.012 0.000 3.298 98 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.260 98 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.260 98 G C 1.180 176.070 174.900 -0.016 0.000 1.681 98 G CA 0.322 45.425 45.100 0.005 0.000 1.094 98 G HN 0.405 nan 8.290 nan 0.000 0.575 99 R N 1.729 122.226 120.500 -0.005 0.000 2.112 99 R HA -0.119 4.221 4.340 -0.001 0.000 0.242 99 R C 0.695 176.962 176.300 -0.055 0.000 1.137 99 R CA 2.235 58.326 56.100 -0.014 0.000 0.944 99 R CB -0.810 29.495 30.300 0.008 0.000 0.857 99 R HN 1.076 nan 8.270 nan 0.000 0.435 100 N N 0.398 119.031 118.700 -0.111 0.000 2.324 100 N HA 0.225 4.965 4.740 -0.001 0.000 0.285 100 N C -0.616 174.585 175.510 -0.514 0.000 1.076 100 N CA -1.038 51.857 53.050 -0.259 0.000 0.864 100 N CB 1.253 39.586 38.487 -0.256 0.000 1.632 100 N HN 0.299 nan 8.380 nan 0.000 0.478 101 M N -0.322 118.994 119.600 -0.473 0.000 2.245 101 M HA 0.636 5.116 4.480 -0.001 0.000 0.292 101 M C -0.988 174.828 176.300 -0.808 0.000 1.176 101 M CA -0.156 54.836 55.300 -0.513 0.000 1.035 101 M CB 0.730 33.209 32.600 -0.200 0.000 1.440 101 M HN 0.519 nan 8.290 nan 0.000 0.494 102 Y N -0.794 119.317 120.300 -0.315 0.000 2.974 102 Y HA 0.742 5.292 4.550 -0.001 0.000 0.310 102 Y C -1.070 174.699 175.900 -0.218 0.000 1.526 102 Y CA -1.092 56.883 58.100 -0.207 0.000 1.087 102 Y CB 1.459 39.834 38.460 -0.143 0.000 1.404 102 Y HN 0.529 nan 8.280 nan 0.000 0.491 103 L N 0.366 121.628 121.223 0.065 0.000 2.406 103 L HA 0.431 4.771 4.340 -0.001 0.000 0.272 103 L C 0.250 177.124 176.870 0.006 0.000 0.980 103 L CA -0.205 54.602 54.840 -0.055 0.000 0.831 103 L CB 2.079 44.072 42.059 -0.111 0.000 1.253 103 L HN 0.836 nan 8.230 nan 0.000 0.406 104 T N 1.027 115.593 114.554 0.021 0.000 3.056 104 T HA 0.435 4.785 4.350 -0.001 0.000 0.243 104 T C 0.638 175.283 174.700 -0.093 0.000 0.995 104 T CA 0.630 62.704 62.100 -0.044 0.000 1.091 104 T CB 0.237 69.059 68.868 -0.076 0.000 0.990 104 T HN 0.952 nan 8.240 nan 0.000 0.464 105 G N 1.031 109.787 108.800 -0.073 0.000 2.785 105 G HA2 0.180 4.139 3.960 -0.001 0.000 0.686 105 G HA3 0.180 4.139 3.960 -0.001 0.000 0.686 105 G C -1.316 173.497 174.900 -0.146 0.000 1.155 105 G CA -0.309 44.741 45.100 -0.084 0.000 0.760 105 G HN 0.984 nan 8.290 nan 0.000 0.624 106 L N 1.890 123.006 121.223 -0.177 0.000 2.543 106 L HA 0.796 5.136 4.340 -0.001 0.000 0.265 106 L C -0.085 176.487 176.870 -0.497 0.000 0.945 106 L CA -0.608 54.036 54.840 -0.326 0.000 0.869 106 L CB 1.637 43.518 42.059 -0.297 0.000 1.294 106 L HN 1.053 nan 8.230 nan 0.000 0.405 107 c N 3.044 121.273 118.600 -0.619 0.000 2.630 107 c HA 0.796 5.366 4.570 -0.001 0.000 0.346 107 c C -0.893 172.651 174.090 -0.909 0.000 1.245 107 c CA -0.657 55.310 56.329 -0.605 0.000 1.804 107 c CB 1.657 43.986 42.510 -0.301 0.000 2.279 107 c HN 0.688 nan 8.230 nan 0.000 0.498 108 F N 0.879 120.774 119.950 -0.092 0.000 2.561 108 F HA 0.608 5.134 4.527 -0.001 0.000 0.313 108 F C -0.341 175.424 175.800 -0.058 0.000 1.126 108 F CA -0.630 57.321 58.000 -0.082 0.000 0.918 108 F CB 0.812 39.766 39.000 -0.077 0.000 1.199 108 F HN 0.121 nan 8.300 nan 0.000 0.444 109 L N 4.715 126.003 121.223 0.108 0.000 2.280 109 L HA 0.510 4.849 4.340 -0.001 0.000 0.287 109 L C -0.726 176.203 176.870 0.099 0.000 1.023 109 L CA -0.560 54.341 54.840 0.100 0.000 0.819 109 L CB 1.060 43.156 42.059 0.062 0.000 1.212 109 L HN 0.535 nan 8.230 nan 0.000 0.420 110 L N 2.539 123.822 121.223 0.101 0.000 2.693 110 L HA 0.951 5.290 4.340 -0.001 0.000 0.253 110 L C 0.672 177.612 176.870 0.117 0.000 1.155 110 L CA -0.318 54.559 54.840 0.062 0.000 1.026 110 L CB 1.056 43.101 42.059 -0.024 0.000 1.817 110 L HN 0.659 nan 8.230 nan 0.000 0.556 111 G N -1.540 107.334 108.800 0.123 0.000 2.343 111 G HA2 0.077 4.036 3.960 -0.001 0.000 0.465 111 G HA3 0.077 4.036 3.960 -0.001 0.000 0.465 111 G C -2.747 172.199 174.900 0.077 0.000 1.282 111 G CA -0.836 44.359 45.100 0.158 0.000 0.996 111 G HN 0.342 nan 8.290 nan 0.000 0.521 112 P HA 0.232 nan 4.420 nan 0.000 0.249 112 P C 0.548 177.860 177.300 0.020 0.000 1.686 112 P CA 1.297 64.410 63.100 0.023 0.000 0.873 112 P CB -0.285 31.420 31.700 0.008 0.000 1.828 113 T N -4.246 110.322 114.554 0.024 0.000 2.618 113 T HA 0.292 4.642 4.350 -0.001 0.000 0.255 113 T C -0.733 173.977 174.700 0.017 0.000 0.988 113 T CA -0.730 61.383 62.100 0.021 0.000 1.221 113 T CB 0.754 69.639 68.868 0.028 0.000 1.674 113 T HN -0.067 nan 8.240 nan 0.000 0.448 114 Q N 0.773 120.584 119.800 0.018 0.000 2.261 114 Q HA 0.536 4.876 4.340 -0.001 0.000 0.252 114 Q C -0.588 175.422 176.000 0.017 0.000 0.915 114 Q CA -0.490 55.320 55.803 0.012 0.000 0.915 114 Q CB 1.416 30.160 28.738 0.010 0.000 1.204 114 Q HN 0.415 nan 8.270 nan 0.000 0.421 115 L N 3.424 124.653 121.223 0.010 0.000 2.400 115 L HA 0.065 4.405 4.340 -0.001 0.000 0.262 115 L C -0.007 176.881 176.870 0.030 0.000 1.309 115 L CA -0.109 54.741 54.840 0.017 0.000 1.186 115 L CB -0.696 41.362 42.059 -0.001 0.000 1.375 115 L HN 0.654 nan 8.230 nan 0.000 0.433 116 T N 1.416 115.987 114.554 0.028 0.000 2.900 116 T HA 0.118 4.468 4.350 -0.001 0.000 0.307 116 T C 0.189 174.899 174.700 0.017 0.000 1.065 116 T CA -0.131 61.974 62.100 0.008 0.000 1.105 116 T CB 0.847 69.709 68.868 -0.011 0.000 0.979 116 T HN 0.447 nan 8.240 nan 0.000 0.544 117 Q N 1.428 121.209 119.800 -0.032 0.000 2.397 117 Q HA 0.312 4.652 4.340 -0.001 0.000 0.260 117 Q C -0.732 175.145 176.000 -0.206 0.000 1.002 117 Q CA -0.335 55.416 55.803 -0.087 0.000 0.716 117 Q CB 1.404 30.131 28.738 -0.018 0.000 1.258 117 Q HN 0.416 nan 8.270 nan 0.000 0.477 118 R N 2.453 122.775 120.500 -0.297 0.000 2.288 118 R HA 0.289 4.629 4.340 -0.001 0.000 0.326 118 R C 0.181 176.191 176.300 -0.484 0.000 0.959 118 R CA -0.310 55.549 56.100 -0.402 0.000 0.834 118 R CB 1.234 31.232 30.300 -0.503 0.000 1.157 118 R HN 0.453 nan 8.270 nan 0.000 0.470 119 L N 3.572 124.550 121.223 -0.408 0.000 2.425 119 L HA 0.188 4.528 4.340 -0.001 0.000 0.215 119 L C -1.717 174.951 176.870 -0.338 0.000 1.065 119 L CA 0.335 54.943 54.840 -0.387 0.000 0.842 119 L CB 0.421 42.316 42.059 -0.274 0.000 1.033 119 L HN 0.442 nan 8.230 nan 0.000 0.474 120 P HA 0.201 nan 4.420 nan 0.000 0.270 120 P C 0.041 177.237 177.300 -0.173 0.000 1.551 120 P CA -0.030 62.928 63.100 -0.237 0.000 1.049 120 P CB 1.320 32.913 31.700 -0.177 0.000 1.397 121 V N 1.703 121.501 119.914 -0.194 0.000 5.043 121 V HA -0.254 3.866 4.120 -0.001 0.000 0.267 121 V C 0.740 176.762 176.094 -0.119 0.000 0.597 121 V CA 1.911 64.119 62.300 -0.153 0.000 0.703 121 V CB -2.591 29.155 31.823 -0.128 0.000 0.558 121 V HN 0.781 nan 8.190 nan 0.000 1.038 122 S N 1.441 117.064 115.700 -0.128 0.000 3.363 122 S HA 0.439 4.909 4.470 -0.001 0.000 0.267 122 S C 0.598 175.116 174.600 -0.137 0.000 1.288 122 S CA -0.651 57.481 58.200 -0.113 0.000 0.948 122 S CB 0.432 63.569 63.200 -0.106 0.000 1.397 122 S HN 0.839 nan 8.310 nan 0.000 0.493 123 R N 2.328 122.754 120.500 -0.123 0.000 3.252 123 R HA -0.112 4.228 4.340 -0.001 0.000 0.333 123 R C -0.568 175.617 176.300 -0.191 0.000 0.722 123 R CA 0.284 56.300 56.100 -0.140 0.000 1.078 123 R CB -0.497 29.748 30.300 -0.092 0.000 0.898 123 R HN 0.608 nan 8.270 nan 0.000 0.379 124 Q N 3.178 122.814 119.800 -0.273 0.000 2.318 124 Q HA -0.056 4.283 4.340 -0.001 0.000 0.270 124 Q C -0.328 175.429 176.000 -0.404 0.000 1.237 124 Q CA 0.691 56.296 55.803 -0.330 0.000 0.937 124 Q CB 0.332 28.847 28.738 -0.372 0.000 1.375 124 Q HN 0.575 nan 8.270 nan 0.000 0.452 125 E N 0.990 121.061 120.200 -0.216 0.000 2.422 125 E HA -0.017 4.333 4.350 -0.001 0.000 0.260 125 E C 0.045 176.612 176.600 -0.055 0.000 1.108 125 E CA -0.494 55.836 56.400 -0.117 0.000 0.943 125 E CB 0.631 30.294 29.700 -0.062 0.000 0.961 125 E HN 0.573 nan 8.360 nan 0.000 0.443 126 c N 2.396 121.045 118.600 0.081 0.000 2.767 126 c HA 0.154 4.724 4.570 -0.001 0.000 0.353 126 c C -1.737 172.390 174.090 0.062 0.000 1.376 126 c CA -1.128 55.305 56.329 0.173 0.000 2.284 126 c CB -1.294 41.335 42.510 0.197 0.000 2.535 126 c HN 0.615 nan 8.230 nan 0.000 0.745 127 P HA 0.362 nan 4.420 nan 0.000 0.285 127 P C -0.472 176.830 177.300 0.004 0.000 1.259 127 P CA -0.311 62.785 63.100 -0.007 0.000 0.794 127 P CB 0.468 32.139 31.700 -0.048 0.000 0.940 327 S N 1.170 116.840 115.700 -0.050 0.000 2.572 327 S HA 0.666 5.135 4.470 -0.001 0.000 0.267 327 S C -0.287 174.212 174.600 -0.169 0.000 1.361 327 S CA 0.328 58.541 58.200 0.023 0.000 1.009 327 S CB 0.085 63.296 63.200 0.018 0.000 0.888 327 S HN 0.556 nan 8.310 nan 0.000 0.553 328 F N -0.466 119.512 119.950 0.045 0.000 2.764 328 F HA 0.494 5.020 4.527 -0.001 0.000 0.347 328 F C 1.157 176.960 175.800 0.005 0.000 1.151 328 F CA -0.683 57.299 58.000 -0.030 0.000 1.021 328 F CB 1.370 40.299 39.000 -0.118 0.000 1.438 328 F HN 0.487 nan 8.300 nan 0.000 0.516 329 E N -0.235 120.056 120.200 0.152 0.000 3.688 329 E HA 0.376 4.726 4.350 -0.001 0.000 0.217 329 E C -0.664 175.828 176.600 -0.179 0.000 1.289 329 E CA 0.180 56.646 56.400 0.110 0.000 1.408 329 E CB 0.877 30.625 29.700 0.080 0.000 2.370 329 E HN 0.367 nan 8.360 nan 0.000 0.584 330 L N 2.138 123.253 121.223 -0.180 0.000 2.613 330 L HA 0.262 4.602 4.340 -0.001 0.000 0.275 330 L C 0.036 176.768 176.870 -0.230 0.000 1.453 330 L CA 0.055 54.737 54.840 -0.263 0.000 0.725 330 L CB 1.058 42.972 42.059 -0.242 0.000 1.013 330 L HN 0.004 nan 8.230 nan 0.000 0.520 331 E N 0.595 120.643 120.200 -0.254 0.000 2.206 331 E HA 0.221 4.571 4.350 -0.001 0.000 0.195 331 E C 0.656 177.169 176.600 -0.145 0.000 0.935 331 E CA 0.897 57.127 56.400 -0.283 0.000 0.875 331 E CB 0.391 29.666 29.700 -0.707 0.000 0.841 331 E HN 0.358 nan 8.360 nan 0.000 0.477 332 M N 0.004 119.435 119.600 -0.281 0.000 3.074 332 M HA 0.506 4.986 4.480 -0.001 0.000 0.252 332 M C 0.180 176.211 176.300 -0.448 0.000 1.181 332 M CA -0.242 54.904 55.300 -0.256 0.000 0.771 332 M CB 1.414 33.899 32.600 -0.192 0.000 1.375 332 M HN 0.045 nan 8.290 nan 0.000 0.512 333 A N -0.118 122.510 122.820 -0.320 0.000 2.267 333 A HA 0.129 4.449 4.320 -0.001 0.000 0.213 333 A C 1.051 178.563 177.584 -0.119 0.000 1.192 333 A CA 0.069 51.940 52.037 -0.277 0.000 0.851 333 A CB 0.100 18.950 19.000 -0.249 0.000 0.881 333 A HN 0.729 nan 8.150 nan 0.000 0.494 334 Q N 0.620 120.368 119.800 -0.086 0.000 2.406 334 Q HA -0.224 4.116 4.340 -0.001 0.000 0.339 334 Q C -0.052 175.961 176.000 0.021 0.000 1.337 334 Q CA 0.848 56.642 55.803 -0.016 0.000 0.985 334 Q CB -1.400 27.359 28.738 0.035 0.000 1.216 334 Q HN 0.853 nan 8.270 nan 0.000 0.415 335 E N -0.536 119.648 120.200 -0.027 0.000 2.481 335 E HA 0.104 4.454 4.350 -0.001 0.000 0.263 335 E C 1.242 177.854 176.600 0.021 0.000 0.992 335 E CA 1.076 57.482 56.400 0.011 0.000 0.938 335 E CB 0.157 29.808 29.700 -0.080 0.000 0.933 335 E HN 0.520 nan 8.360 nan 0.000 0.453 336 G N 3.710 112.549 108.800 0.065 0.000 2.157 336 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.239 336 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.239 336 G C 0.331 175.252 174.900 0.035 0.000 0.982 336 G CA 0.204 45.318 45.100 0.024 0.000 0.650 336 G HN 0.657 nan 8.290 nan 0.000 0.527 337 F N 2.423 122.335 119.950 -0.065 0.000 2.250 337 F HA 0.208 4.735 4.527 -0.001 0.000 0.301 337 F C 1.379 177.099 175.800 -0.132 0.000 1.077 337 F CA 2.126 60.058 58.000 -0.113 0.000 1.348 337 F CB 0.210 39.127 39.000 -0.138 0.000 1.040 337 F HN 0.715 nan 8.300 nan 0.000 0.509 338 S N -0.432 115.271 115.700 0.005 0.000 2.592 338 S HA 0.782 5.251 4.470 -0.001 0.000 0.275 338 S C -0.893 173.711 174.600 0.007 0.000 1.169 338 S CA -0.391 57.775 58.200 -0.057 0.000 0.958 338 S CB 1.082 64.284 63.200 0.003 0.000 1.095 338 S HN 0.481 nan 8.310 nan 0.000 0.471 339 A N 1.832 124.642 122.820 -0.017 0.000 2.454 339 A HA 0.993 5.313 4.320 -0.001 0.000 0.302 339 A C -0.863 176.723 177.584 0.004 0.000 1.079 339 A CA -1.007 51.017 52.037 -0.021 0.000 0.731 339 A CB 1.976 20.931 19.000 -0.074 0.000 1.299 339 A HN 1.933 nan 8.150 nan 0.000 0.413 340 V N 1.739 121.646 119.914 -0.011 0.000 3.000 340 V HA 0.649 4.769 4.120 -0.001 0.000 0.300 340 V C -1.296 174.831 176.094 0.055 0.000 1.251 340 V CA -0.777 61.580 62.300 0.094 0.000 0.972 340 V CB 1.631 33.519 31.823 0.108 0.000 1.065 340 V HN 0.877 nan 8.190 nan 0.000 0.431 341 F N 2.869 122.851 119.950 0.053 0.000 2.234 341 F HA 0.801 5.328 4.527 -0.001 0.000 0.292 341 F C 0.834 176.667 175.800 0.055 0.000 1.187 341 F CA 0.745 58.781 58.000 0.059 0.000 1.128 341 F CB 1.334 40.365 39.000 0.053 0.000 1.507 341 F HN 0.650 nan 8.300 nan 0.000 0.512 342 T N -0.755 113.966 114.554 0.279 0.000 3.230 342 T HA 0.170 4.520 4.350 -0.001 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 0.169 0.000 1.129 342 T CB 0.977 69.916 68.868 0.119 0.000 1.583 342 T HN 0.138 nan 8.240 nan 0.000 0.480 343 P HA -0.108 nan 4.420 nan 0.000 0.219 343 P C 0.145 177.502 177.300 0.095 0.000 1.151 343 P CA 1.625 64.780 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 -1.488 118.972 120.400 0.099 0.000 3.133 344 D HA 0.447 5.086 4.640 -0.001 0.000 0.288 344 D C 0.594 176.960 176.300 0.109 0.000 1.346 344 D CA -0.610 53.449 54.000 0.099 0.000 0.934 344 D CB -0.624 40.235 40.800 0.099 0.000 1.042 344 D HN 0.169 nan 8.370 nan 0.000 0.506 345 G N 0.747 109.620 108.800 0.122 0.000 2.712 345 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.686 345 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.686 345 G C -2.858 172.107 174.900 0.108 0.000 1.321 345 G CA -1.112 44.064 45.100 0.127 0.000 0.813 345 G HN 0.263 nan 8.290 nan 0.000 0.599 346 P HA 0.480 nan 4.420 nan 0.000 0.274 346 P C -0.169 177.141 177.300 0.017 0.000 1.264 346 P CA -0.392 62.639 63.100 -0.116 0.000 0.795 346 P CB 0.731 32.260 31.700 -0.286 0.000 1.064 347 V N 0.835 120.725 119.914 -0.040 0.000 2.610 347 V HA 0.180 4.300 4.120 -0.001 0.000 0.288 347 V C -0.562 175.553 176.094 0.036 0.000 1.055 347 V CA -0.365 61.951 62.300 0.027 0.000 0.902 347 V CB 1.254 33.080 31.823 0.006 0.000 1.030 347 V HN 0.275 nan 8.190 nan 0.000 0.448 348 L N 3.307 124.609 121.223 0.132 0.000 2.375 348 L HA 0.909 5.249 4.340 -0.001 0.000 0.268 348 L C 0.864 177.830 176.870 0.160 0.000 1.058 348 L CA 0.165 55.081 54.840 0.127 0.000 0.803 348 L CB 1.502 43.655 42.059 0.158 0.000 1.212 348 L HN 0.677 nan 8.230 nan 0.000 0.451 349 G N 0.277 109.165 108.800 0.147 0.000 2.416 349 G HA2 0.699 4.659 3.960 -0.001 0.000 0.324 349 G HA3 0.699 4.659 3.960 -0.001 0.000 0.324 349 G C -1.119 173.896 174.900 0.192 0.000 1.194 349 G CA -0.359 44.837 45.100 0.161 0.000 0.922 349 G HN 0.796 nan 8.290 nan 0.000 0.467 350 A N 1.282 124.239 122.820 0.229 0.000 2.295 350 A HA 0.698 5.018 4.320 -0.001 0.000 0.318 350 A C 1.156 178.792 177.584 0.088 0.000 1.134 350 A CA -0.017 52.123 52.037 0.171 0.000 0.827 350 A CB 1.541 20.713 19.000 0.285 0.000 1.136 350 A HN 1.548 nan 8.150 nan 0.000 0.493 351 V N -0.854 119.072 119.914 0.020 0.000 2.911 351 V HA 0.342 4.461 4.120 -0.001 0.000 0.237 351 V C 1.417 177.526 176.094 0.026 0.000 1.156 351 V CA 1.136 63.492 62.300 0.093 0.000 1.180 351 V CB -0.744 31.164 31.823 0.142 0.000 0.932 351 V HN 0.998 nan 8.190 nan 0.000 0.483 352 G N 1.304 109.927 108.800 -0.294 0.000 3.424 352 G HA2 0.208 4.168 3.960 -0.001 0.000 0.263 352 G HA3 0.208 4.168 3.960 -0.001 0.000 0.263 352 G C 0.326 174.748 174.900 -0.796 0.000 1.310 352 G CA 0.220 44.746 45.100 -0.956 0.000 1.089 352 G HN 0.415 nan 8.290 nan 0.000 0.534 353 S N 1.293 116.665 115.700 -0.547 0.000 2.509 353 S HA 0.352 4.821 4.470 -0.001 0.000 0.287 353 S C 0.670 174.774 174.600 -0.826 0.000 1.248 353 S CA -0.344 57.296 58.200 -0.933 0.000 1.089 353 S CB -0.067 62.573 63.200 -0.933 0.000 0.900 353 S HN 0.456 nan 8.310 nan 0.000 0.496 354 F N 0.283 120.178 119.950 -0.091 0.000 2.369 354 F HA -0.345 4.182 4.527 -0.001 0.000 0.581 354 F C 1.881 177.701 175.800 0.033 0.000 1.044 354 F CA 1.372 59.368 58.000 -0.006 0.000 1.260 354 F CB -2.175 36.836 39.000 0.017 0.000 2.263 354 F HN 0.531 nan 8.300 nan 0.000 0.231 355 T N -3.109 111.640 114.554 0.325 0.000 3.535 355 T HA 0.283 4.633 4.350 -0.001 0.000 0.238 355 T C -0.161 174.726 174.700 0.311 0.000 0.909 355 T CA 0.445 62.717 62.100 0.287 0.000 0.928 355 T CB -1.569 67.431 68.868 0.219 0.000 1.134 355 T HN 0.565 nan 8.240 nan 0.000 0.627 356 W N 0.112 121.405 121.300 -0.012 0.000 5.271 356 W HA -0.302 4.358 4.660 -0.001 0.000 0.364 356 W C 1.832 178.300 176.519 -0.085 0.000 1.342 356 W CA 0.538 57.823 57.345 -0.100 0.000 0.899 356 W CB -2.419 26.932 29.460 -0.181 0.000 2.450 356 W HN 0.537 nan 8.180 nan 0.000 1.508 357 S N -0.173 115.612 115.700 0.142 0.000 2.344 357 S HA 0.271 4.740 4.470 -0.001 0.000 0.217 357 S C 1.452 176.114 174.600 0.103 0.000 1.033 357 S CA 2.633 60.919 58.200 0.143 0.000 1.017 357 S CB -0.379 62.970 63.200 0.248 0.000 0.941 357 S HN 1.372 nan 8.310 nan 0.000 0.430 358 G N -1.776 107.056 108.800 0.053 0.000 2.408 358 G HA2 0.456 4.415 3.960 -0.001 0.000 0.682 358 G HA3 0.456 4.415 3.960 -0.001 0.000 0.682 358 G C -0.042 174.862 174.900 0.006 0.000 1.303 358 G CA -0.493 44.632 45.100 0.043 0.000 0.966 358 G HN 1.574 nan 8.290 nan 0.000 0.560 359 G N -1.681 107.096 108.800 -0.038 0.000 2.336 359 G HA2 0.822 4.781 3.960 -0.001 0.000 0.286 359 G HA3 0.822 4.781 3.960 -0.001 0.000 0.286 359 G C -0.757 174.007 174.900 -0.226 0.000 1.269 359 G CA 1.154 46.065 45.100 -0.314 0.000 0.873 359 G HN 2.720 nan 8.290 nan 0.000 0.494 360 A N -0.995 121.523 122.820 -0.503 0.000 2.513 360 A HA 0.720 5.040 4.320 -0.001 0.000 0.296 360 A C -1.631 175.811 177.584 -0.237 0.000 1.052 360 A CA -0.561 51.369 52.037 -0.179 0.000 0.714 360 A CB 0.864 19.770 19.000 -0.158 0.000 1.279 360 A HN 1.046 nan 8.150 nan 0.000 0.397 361 F N 1.981 121.956 119.950 0.043 0.000 2.411 361 F HA 0.468 4.995 4.527 -0.001 0.000 0.355 361 F C 0.398 175.947 175.800 -0.418 0.000 1.117 361 F CA -0.147 57.787 58.000 -0.110 0.000 1.139 361 F CB 1.410 40.300 39.000 -0.182 0.000 1.120 361 F HN 0.568 nan 8.300 nan 0.000 0.493 362 L N 5.184 126.226 121.223 -0.301 0.000 2.292 362 L HA 0.421 4.760 4.340 -0.001 0.000 0.284 362 L C -1.400 175.209 176.870 -0.436 0.000 1.065 362 L CA -0.655 54.024 54.840 -0.268 0.000 0.806 362 L CB 0.618 42.604 42.059 -0.122 0.000 1.175 362 L HN 0.499 nan 8.230 nan 0.000 0.431 363 Y N 5.500 125.820 120.300 0.033 0.000 2.478 363 Y HA 0.434 4.984 4.550 -0.001 0.000 0.329 363 Y C -2.117 173.797 175.900 0.022 0.000 0.967 363 Y CA -2.429 55.682 58.100 0.019 0.000 1.255 363 Y CB 0.609 39.064 38.460 -0.009 0.000 1.103 363 Y HN 0.537 nan 8.280 nan 0.000 0.497 364 P HA 0.062 nan 4.420 nan 0.000 0.288 364 P C -2.384 174.978 177.300 0.104 0.000 1.291 364 P CA -1.287 61.876 63.100 0.105 0.000 0.766 364 P CB 0.034 31.780 31.700 0.076 0.000 1.242 365 P HA 0.028 nan 4.420 nan 0.000 0.244 365 P C -0.099 177.233 177.300 0.053 0.000 1.769 365 P CA 0.302 63.441 63.100 0.066 0.000 1.102 365 P CB -0.788 30.948 31.700 0.059 0.000 1.937 366 N N -0.120 118.612 118.700 0.054 0.000 2.929 366 N HA -0.173 4.567 4.740 -0.001 0.000 0.234 366 N C 0.193 175.726 175.510 0.039 0.000 0.908 366 N CA 0.846 53.919 53.050 0.039 0.000 0.993 366 N CB -1.183 37.320 38.487 0.027 0.000 1.075 366 N HN 0.461 nan 8.380 nan 0.000 0.603 367 M N 1.597 121.225 119.600 0.046 0.000 2.243 367 M HA 0.143 4.622 4.480 -0.001 0.000 0.341 367 M C 0.614 176.943 176.300 0.048 0.000 1.130 367 M CA -0.087 55.237 55.300 0.040 0.000 1.162 367 M CB 0.701 33.325 32.600 0.040 0.000 1.497 367 M HN 0.256 nan 8.290 nan 0.000 0.456 368 S N 4.886 120.604 115.700 0.031 0.000 2.558 368 S HA 0.317 4.786 4.470 -0.001 0.000 0.288 368 S C -2.407 172.208 174.600 0.026 0.000 1.318 368 S CA -1.089 57.131 58.200 0.034 0.000 1.056 368 S CB -0.383 62.823 63.200 0.009 0.000 0.853 368 S HN 0.612 nan 8.310 nan 0.000 0.505 369 P HA 0.283 nan 4.420 nan 0.000 0.276 369 P C 0.280 177.523 177.300 -0.095 0.000 1.252 369 P CA -0.412 62.658 63.100 -0.051 0.000 0.802 369 P CB 0.757 32.362 31.700 -0.158 0.000 1.035 370 T N -2.005 112.446 114.554 -0.170 0.000 2.855 370 T HA 0.748 5.098 4.350 -0.001 0.000 0.275 370 T C -1.001 173.597 174.700 -0.170 0.000 1.022 370 T CA -0.560 61.411 62.100 -0.215 0.000 0.977 370 T CB 0.896 69.527 68.868 -0.395 0.000 1.559 370 T HN 0.399 nan 8.240 nan 0.000 0.600 371 F N 0.127 119.788 119.950 -0.482 0.000 2.690 371 F HA 0.543 5.069 4.527 -0.001 0.000 0.311 371 F C -2.129 173.356 175.800 -0.526 0.000 1.111 371 F CA -1.437 56.166 58.000 -0.661 0.000 1.003 371 F CB 1.328 39.752 39.000 -0.960 0.000 1.283 371 F HN 0.798 nan 8.300 nan 0.000 0.442 372 I N 3.794 123.487 120.570 -1.462 0.000 2.466 372 I HA 0.521 4.691 4.170 -0.001 0.000 0.279 372 I C -0.959 174.371 176.117 -1.311 0.000 1.033 372 I CA -0.606 60.028 61.300 -1.109 0.000 1.123 372 I CB 1.089 38.594 38.000 -0.826 0.000 1.237 372 I HN 0.583 nan 8.210 nan 0.000 0.460 373 N N 5.929 124.107 118.700 -0.869 0.000 2.547 373 N HA 0.433 5.172 4.740 -0.001 0.000 0.301 373 N C 0.278 175.649 175.510 -0.232 0.000 1.328 373 N CA -0.547 52.285 53.050 -0.364 0.000 0.932 373 N CB 0.341 38.975 38.487 0.244 0.000 1.104 373 N HN 0.512 nan 8.380 nan 0.000 0.548 374 M N -0.477 119.113 119.600 -0.017 0.000 2.405 374 M HA 0.212 4.692 4.480 -0.001 0.000 0.292 374 M C -0.333 175.986 176.300 0.031 0.000 1.111 374 M CA 0.145 55.475 55.300 0.049 0.000 0.979 374 M CB -1.394 31.281 32.600 0.125 0.000 1.426 374 M HN 0.925 nan 8.290 nan 0.000 0.509 375 S N -0.092 115.602 115.700 -0.010 0.000 3.832 375 S HA -0.228 4.242 4.470 -0.001 0.000 0.719 375 S C 0.278 174.850 174.600 -0.048 0.000 1.382 375 S CA 0.722 58.897 58.200 -0.040 0.000 1.406 375 S CB -0.359 62.831 63.200 -0.017 0.000 0.425 375 S HN 0.608 nan 8.310 nan 0.000 0.834 376 Q N 0.340 120.089 119.800 -0.086 0.000 2.339 376 Q HA 0.092 4.431 4.340 -0.001 0.000 0.205 376 Q C 1.855 177.837 176.000 -0.030 0.000 0.925 376 Q CA 0.747 56.503 55.803 -0.079 0.000 0.898 376 Q CB -0.152 28.510 28.738 -0.127 0.000 1.013 376 Q HN 0.811 nan 8.270 nan 0.000 0.504 377 E N 0.823 121.010 120.200 -0.022 0.000 2.393 377 E HA -0.169 4.181 4.350 -0.001 0.000 0.201 377 E C 0.104 176.713 176.600 0.016 0.000 1.025 377 E CA 0.303 56.701 56.400 -0.002 0.000 0.856 377 E CB -0.080 29.621 29.700 0.002 0.000 0.771 377 E HN 0.138 nan 8.360 nan 0.000 0.526 378 N N 0.450 119.164 118.700 0.024 0.000 2.555 378 N HA -0.030 4.710 4.740 -0.001 0.000 0.244 378 N C 0.897 176.436 175.510 0.049 0.000 1.114 378 N CA -0.121 52.958 53.050 0.047 0.000 0.963 378 N CB 0.945 39.472 38.487 0.066 0.000 1.276 378 N HN -0.068 nan 8.380 nan 0.000 0.510 379 V N -0.071 119.867 119.914 0.041 0.000 2.392 379 V HA -0.167 3.952 4.120 -0.001 0.000 0.249 379 V C 0.990 177.103 176.094 0.032 0.000 1.059 379 V CA 1.488 63.806 62.300 0.031 0.000 1.051 379 V CB -0.890 30.947 31.823 0.023 0.000 0.658 379 V HN 0.610 nan 8.190 nan 0.000 0.455 380 D N -0.352 120.075 120.400 0.046 0.000 2.376 380 D HA 0.179 4.819 4.640 -0.001 0.000 0.281 380 D C 0.999 177.328 176.300 0.047 0.000 1.215 380 D CA -0.156 53.854 54.000 0.016 0.000 1.062 380 D CB 0.107 40.926 40.800 0.030 0.000 1.124 380 D HN 0.271 nan 8.370 nan 0.000 0.550 381 M N -2.711 116.899 119.600 0.016 0.000 2.921 381 M HA -0.213 4.267 4.480 -0.001 0.000 0.206 381 M C -1.071 175.243 176.300 0.024 0.000 0.574 381 M CA 0.470 55.831 55.300 0.103 0.000 0.746 381 M CB -0.942 31.774 32.600 0.193 0.000 2.693 381 M HN 0.401 nan 8.290 nan 0.000 0.439 382 R N 1.972 122.445 120.500 -0.045 0.000 2.316 382 R HA 0.199 4.539 4.340 -0.001 0.000 0.314 382 R C -0.092 176.125 176.300 -0.139 0.000 1.069 382 R CA 0.212 56.291 56.100 -0.036 0.000 0.959 382 R CB 0.219 30.502 30.300 -0.028 0.000 0.987 382 R HN 0.347 nan 8.270 nan 0.000 0.446 383 D N 1.843 122.170 120.400 -0.122 0.000 3.187 383 D HA -0.119 4.521 4.640 -0.001 0.000 0.244 383 D C 0.141 176.176 176.300 -0.442 0.000 1.114 383 D CA 1.483 55.280 54.000 -0.337 0.000 0.920 383 D CB -0.898 39.678 40.800 -0.374 0.000 0.970 383 D HN 0.726 nan 8.370 nan 0.000 0.418 384 S N -0.752 114.742 115.700 -0.343 0.000 2.728 384 S HA 0.087 4.557 4.470 -0.001 0.000 0.257 384 S C 0.612 175.160 174.600 -0.086 0.000 1.060 384 S CA -0.285 57.787 58.200 -0.214 0.000 1.126 384 S CB 0.227 63.421 63.200 -0.009 0.000 1.099 384 S HN 0.282 nan 8.310 nan 0.000 0.617 385 Y N 0.775 121.112 120.300 0.063 0.000 3.305 385 Y HA -0.158 4.392 4.550 -0.001 0.000 0.212 385 Y C 0.219 176.179 175.900 0.099 0.000 1.248 385 Y CA -0.120 58.035 58.100 0.092 0.000 1.359 385 Y CB -2.524 35.993 38.460 0.096 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 0.183 0.000 2.745 386 L HA 0.380 4.720 4.340 -0.001 0.000 0.273 386 L C 1.198 178.159 176.870 0.152 0.000 1.156 386 L CA 1.665 56.597 54.840 0.154 0.000 0.982 386 L CB -0.076 42.058 42.059 0.125 0.000 1.295 386 L HN 0.667 nan 8.230 nan 0.000 0.483 387 G N 3.196 112.104 108.800 0.180 0.000 2.183 387 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.168 387 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.168 387 G C 0.506 175.559 174.900 0.254 0.000 1.008 387 G CA 0.200 45.403 45.100 0.170 0.000 0.677 387 G HN 0.713 nan 8.290 nan 0.000 0.498 388 Y N 2.337 122.744 120.300 0.178 0.000 2.207 388 Y HA 0.132 4.681 4.550 -0.001 0.000 0.287 388 Y C 1.636 177.768 175.900 0.387 0.000 1.156 388 Y CA 2.394 60.664 58.100 0.284 0.000 1.182 388 Y CB 0.170 38.757 38.460 0.211 0.000 0.979 388 Y HN 0.673 nan 8.280 nan 0.000 0.521 389 S N -0.612 115.330 115.700 0.404 0.000 2.536 389 S HA 0.666 5.136 4.470 -0.001 0.000 0.287 389 S C -0.588 174.098 174.600 0.144 0.000 1.101 389 S CA -0.204 58.138 58.200 0.236 0.000 0.950 389 S CB 2.149 65.493 63.200 0.240 0.000 1.056 389 S HN 0.323 nan 8.310 nan 0.000 0.481 390 T N -0.982 113.627 114.554 0.092 0.000 2.912 390 T HA 0.818 5.168 4.350 -0.001 0.000 0.299 390 T C -1.104 173.627 174.700 0.052 0.000 1.052 390 T CA -0.503 61.638 62.100 0.068 0.000 0.996 390 T CB 1.867 70.773 68.868 0.062 0.000 1.070 390 T HN 0.779 nan 8.240 nan 0.000 0.465 391 E N 1.002 121.227 120.200 0.042 0.000 2.392 391 E HA 0.620 4.970 4.350 -0.001 0.000 0.279 391 E C -1.677 174.946 176.600 0.037 0.000 0.964 391 E CA -0.865 55.560 56.400 0.041 0.000 0.777 391 E CB 1.797 31.514 29.700 0.028 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 0.825 5.165 4.340 -0.001 0.000 0.249 392 L C -0.350 176.541 176.870 0.035 0.000 1.178 392 L CA 0.475 55.346 54.840 0.052 0.000 0.811 392 L CB 1.362 43.467 42.059 0.077 0.000 1.187 392 L HN 0.674 nan 8.230 nan 0.000 0.480 393 A N 3.383 126.225 122.820 0.037 0.000 3.368 393 A HA 0.286 4.606 4.320 -0.001 0.000 0.211 393 A C -0.435 177.198 177.584 0.082 0.000 1.004 393 A CA -0.470 51.589 52.037 0.036 0.000 1.059 393 A CB -0.631 18.356 19.000 -0.021 0.000 1.298 393 A HN 0.691 nan 8.150 nan 0.000 0.613 394 L N 0.279 121.562 121.223 0.100 0.000 2.536 394 L HA 0.266 4.606 4.340 -0.001 0.000 0.294 394 L C -0.074 176.937 176.870 0.236 0.000 1.257 394 L CA 0.838 55.757 54.840 0.132 0.000 0.850 394 L CB 0.365 42.480 42.059 0.092 0.000 1.105 394 L HN 0.648 nan 8.230 nan 0.000 0.517 395 W N 3.981 125.284 121.300 0.004 0.000 3.074 395 W HA 0.262 4.922 4.660 -0.001 0.000 0.332 395 W C 0.571 177.095 176.519 0.007 0.000 1.253 395 W CA -0.896 56.452 57.345 0.006 0.000 1.180 395 W CB 1.080 30.542 29.460 0.004 0.000 1.445 395 W HN 0.577 nan 8.180 nan 0.000 0.573 396 K N 0.923 120.714 120.400 -1.015 0.000 2.228 396 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 396 K C 1.053 177.287 176.600 -0.610 0.000 1.045 396 K CA 2.160 57.926 56.287 -0.869 0.000 0.931 396 K CB -0.464 31.360 32.500 -1.128 0.000 0.727 396 K HN 0.596 nan 8.250 nan 0.000 0.458 397 G N 0.105 108.593 108.800 -0.521 0.000 3.329 397 G HA2 0.255 4.215 3.960 -0.001 0.000 0.180 397 G HA3 0.255 4.215 3.960 -0.001 0.000 0.180 397 G C -0.062 174.920 174.900 0.136 0.000 1.640 397 G CA 0.101 45.202 45.100 0.001 0.000 1.018 397 G HN 0.164 nan 8.290 nan 0.000 0.581 398 V N -1.563 118.489 119.914 0.229 0.000 3.170 398 V HA 0.587 4.706 4.120 -0.001 0.000 0.309 398 V C -0.010 176.173 176.094 0.149 0.000 1.071 398 V CA -0.891 61.487 62.300 0.130 0.000 1.063 398 V CB 1.008 32.872 31.823 0.068 0.000 1.123 398 V HN 0.548 nan 8.190 nan 0.000 0.464 399 Q N 0.953 120.803 119.800 0.083 0.000 2.500 399 Q HA 0.615 4.955 4.340 -0.001 0.000 0.215 399 Q C -0.290 175.730 176.000 0.033 0.000 1.062 399 Q CA 0.146 55.992 55.803 0.073 0.000 0.996 399 Q CB 0.815 29.589 28.738 0.059 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 0.014 0.000 2.566 400 S HA 0.461 4.931 4.470 -0.001 0.000 0.273 400 S C -1.161 173.421 174.600 -0.030 0.000 1.157 400 S CA -0.725 57.449 58.200 -0.044 0.000 0.938 400 S CB 0.697 63.833 63.200 -0.107 0.000 1.087 400 S HN 0.377 nan 8.310 nan 0.000 0.474 401 L N 2.176 123.391 121.223 -0.014 0.000 2.431 401 L HA 0.812 5.152 4.340 -0.001 0.000 0.260 401 L C -0.741 176.130 176.870 0.001 0.000 1.098 401 L CA -0.869 53.980 54.840 0.015 0.000 0.800 401 L CB 1.207 43.288 42.059 0.037 0.000 1.210 401 L HN 0.355 nan 8.230 nan 0.000 0.465 402 V N 2.101 122.025 119.914 0.016 0.000 2.777 402 V HA 0.436 4.556 4.120 -0.001 0.000 0.306 402 V C -0.628 175.490 176.094 0.041 0.000 1.112 402 V CA -0.486 61.803 62.300 -0.019 0.000 0.917 402 V CB 2.174 33.945 31.823 -0.086 0.000 1.018 402 V HN 0.467 nan 8.190 nan 0.000 0.426 403 L N 3.149 124.414 121.223 0.071 0.000 2.362 403 L HA 0.873 5.212 4.340 -0.001 0.000 0.271 403 L C 0.556 177.467 176.870 0.068 0.000 1.002 403 L CA -0.690 54.212 54.840 0.103 0.000 0.818 403 L CB 2.135 44.295 42.059 0.168 0.000 1.298 403 L HN 0.761 nan 8.230 nan 0.000 0.420 404 G N 1.072 109.932 108.800 0.100 0.000 2.322 404 G HA2 0.589 4.549 3.960 -0.001 0.000 0.309 404 G HA3 0.589 4.549 3.960 -0.001 0.000 0.309 404 G C -0.441 174.518 174.900 0.098 0.000 1.121 404 G CA -0.317 44.825 45.100 0.070 0.000 0.886 404 G HN 0.723 nan 8.290 nan 0.000 0.447 405 A N 4.809 127.650 122.820 0.035 0.000 2.938 405 A HA 0.652 4.972 4.320 -0.001 0.000 0.344 405 A C -1.435 176.119 177.584 -0.050 0.000 1.142 405 A CA -1.321 50.740 52.037 0.041 0.000 0.841 405 A CB 1.230 20.274 19.000 0.073 0.000 1.083 405 A HN 0.407 nan 8.150 nan 0.000 0.479 406 P HA -0.167 nan 4.420 nan 0.000 0.217 406 P C 0.549 177.615 177.300 -0.390 0.000 1.148 406 P CA 1.360 64.106 63.100 -0.590 0.000 0.834 406 P CB 0.131 30.980 31.700 -1.419 0.000 0.783 407 R N -2.305 118.062 120.500 -0.221 0.000 2.903 407 R HA 0.199 4.539 4.340 -0.001 0.000 0.363 407 R C -0.507 175.695 176.300 -0.163 0.000 1.161 407 R CA -0.584 55.403 56.100 -0.189 0.000 1.109 407 R CB -0.292 29.867 30.300 -0.235 0.000 1.399 407 R HN 0.143 nan 8.270 nan 0.000 0.587 408 Y N 2.170 122.380 120.300 -0.150 0.000 2.531 408 Y HA -0.038 4.511 4.550 -0.001 0.000 0.347 408 Y C 0.488 176.329 175.900 -0.098 0.000 1.024 408 Y CA 0.395 58.426 58.100 -0.115 0.000 1.306 408 Y CB 0.213 38.645 38.460 -0.046 0.000 1.149 408 Y HN 0.403 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 3.990 4.340 -0.001 0.000 0.266 409 Q C 0.058 176.035 176.000 -0.040 0.000 1.053 409 Q CA 1.148 56.748 55.803 -0.338 0.000 1.029 409 Q CB -1.560 26.988 28.738 -0.317 0.000 1.423 409 Q HN 1.126 nan 8.270 nan 0.000 0.516 410 H N -4.154 114.861 119.070 -0.092 0.000 3.415 410 H HA -0.216 4.340 4.556 -0.001 0.000 0.213 410 H C 1.368 176.697 175.328 0.003 0.000 1.091 410 H CA 1.822 57.842 56.048 -0.046 0.000 1.182 410 H CB -1.854 27.883 29.762 -0.041 0.000 1.160 410 H HN 0.744 nan 8.280 nan 0.000 0.319 411 T N -2.389 112.228 114.554 0.104 0.000 3.082 411 T HA 0.480 4.829 4.350 -0.001 0.000 0.235 411 T C 1.204 175.967 174.700 0.105 0.000 0.991 411 T CA 0.910 63.079 62.100 0.114 0.000 1.220 411 T CB 1.441 70.373 68.868 0.107 0.000 0.909 411 T HN 1.081 nan 8.240 nan 0.000 0.424 412 G N 1.114 109.995 108.800 0.136 0.000 2.944 412 G HA2 0.304 4.264 3.960 -0.001 0.000 0.471 412 G HA3 0.304 4.264 3.960 -0.001 0.000 0.471 412 G C -1.163 173.893 174.900 0.260 0.000 1.388 412 G CA -0.534 44.652 45.100 0.143 0.000 1.087 412 G HN 0.618 nan 8.290 nan 0.000 0.596 413 K N 1.041 121.550 120.400 0.182 0.000 2.395 413 K HA 0.909 5.229 4.320 -0.001 0.000 0.247 413 K C -0.183 176.469 176.600 0.088 0.000 0.973 413 K CA -0.410 55.948 56.287 0.117 0.000 0.828 413 K CB 2.181 34.500 32.500 -0.302 0.000 1.272 413 K HN 1.460 nan 8.250 nan 0.000 0.439 414 A N 2.446 125.342 122.820 0.127 0.000 2.330 414 A HA 0.609 4.929 4.320 -0.001 0.000 0.313 414 A C -1.373 176.156 177.584 -0.091 0.000 1.124 414 A CA -0.690 51.355 52.037 0.014 0.000 0.774 414 A CB 1.371 20.382 19.000 0.019 0.000 1.198 414 A HN 0.375 nan 8.150 nan 0.000 0.465 415 V N 3.784 123.574 119.914 -0.207 0.000 2.540 415 V HA 0.445 4.564 4.120 -0.001 0.000 0.302 415 V C -0.322 175.388 176.094 -0.640 0.000 1.035 415 V CA -0.286 61.739 62.300 -0.458 0.000 0.873 415 V CB 1.532 33.057 31.823 -0.496 0.000 0.992 415 V HN 0.768 nan 8.190 nan 0.000 0.428 416 I N 4.441 124.506 120.570 -0.841 0.000 2.412 416 I HA 0.530 4.699 4.170 -0.001 0.000 0.296 416 I C -0.898 174.670 176.117 -0.915 0.000 0.987 416 I CA -0.192 60.648 61.300 -0.768 0.000 1.180 416 I CB 1.381 38.872 38.000 -0.849 0.000 1.340 416 I HN 0.412 nan 8.210 nan 0.000 0.455 417 F N 2.775 122.515 119.950 -0.350 0.000 2.522 417 F HA 0.513 5.040 4.527 -0.001 0.000 0.324 417 F C 0.512 176.104 175.800 -0.346 0.000 1.077 417 F CA -0.652 57.145 58.000 -0.339 0.000 0.944 417 F CB 2.186 41.045 39.000 -0.235 0.000 1.175 417 F HN 0.284 nan 8.300 nan 0.000 0.468 418 T N 1.041 115.456 114.554 -0.233 0.000 2.932 418 T HA 0.380 4.730 4.350 -0.001 0.000 0.289 418 T C -0.795 173.768 174.700 -0.227 0.000 1.039 418 T CA -0.527 61.417 62.100 -0.259 0.000 1.024 418 T CB 1.191 69.814 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 -0.304 0.000 2.851 419 Q HA 0.359 4.698 4.340 -0.001 0.000 0.331 419 Q C -0.439 175.078 176.000 -0.805 0.000 0.979 419 Q CA -0.491 54.864 55.803 -0.746 0.000 0.955 419 Q CB 1.146 29.491 28.738 -0.656 0.000 1.298 419 Q HN 0.459 nan 8.270 nan 0.000 0.432 420 V N 1.050 120.663 119.914 -0.501 0.000 2.963 420 V HA -0.034 4.085 4.120 -0.001 0.000 0.306 420 V C 0.931 176.710 176.094 -0.525 0.000 1.077 420 V CA -0.004 62.111 62.300 -0.310 0.000 1.124 420 V CB 1.543 33.363 31.823 -0.006 0.000 0.987 420 V HN 0.594 nan 8.190 nan 0.000 0.487 421 S N 4.533 120.052 115.700 -0.302 0.000 2.670 421 S HA 0.021 4.490 4.470 -0.001 0.000 0.308 421 S C 0.869 175.417 174.600 -0.088 0.000 1.232 421 S CA 0.108 58.180 58.200 -0.214 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 2.696 123.241 120.500 0.075 0.000 3.336 422 R HA -0.157 4.183 4.340 -0.001 0.000 0.260 422 R C 0.197 176.663 176.300 0.277 0.000 1.032 422 R CA 0.831 57.146 56.100 0.359 0.000 0.693 422 R CB -1.554 28.864 30.300 0.197 0.000 1.134 422 R HN 0.725 nan 8.270 nan 0.000 0.433 423 Q N -1.443 118.539 119.800 0.304 0.000 1.958 423 Q HA 0.053 4.392 4.340 -0.001 0.000 0.154 423 Q C 0.220 176.456 176.000 0.393 0.000 0.549 423 Q CA 0.250 56.196 55.803 0.239 0.000 0.824 423 Q CB 0.164 28.956 28.738 0.090 0.000 1.031 423 Q HN 0.445 nan 8.270 nan 0.000 0.312 424 W N 2.916 124.214 121.300 -0.004 0.000 5.721 424 W HA -0.224 4.435 4.660 -0.001 0.000 0.406 424 W C 0.108 176.587 176.519 -0.067 0.000 1.576 424 W CA 0.536 57.845 57.345 -0.059 0.000 0.977 424 W CB -1.353 28.048 29.460 -0.098 0.000 2.771 424 W HN 0.197 nan 8.180 nan 0.000 1.435 425 R N 0.037 120.573 120.500 0.060 0.000 2.603 425 R HA 0.656 4.996 4.340 -0.001 0.000 0.231 425 R C 0.615 176.881 176.300 -0.057 0.000 1.263 425 R CA -1.101 55.013 56.100 0.023 0.000 1.102 425 R CB 0.672 30.988 30.300 0.027 0.000 1.527 425 R HN 0.093 nan 8.270 nan 0.000 0.554 426 M N 1.322 120.855 119.600 -0.112 0.000 2.233 426 M HA 0.146 4.625 4.480 -0.001 0.000 0.355 426 M C 0.137 176.051 176.300 -0.643 0.000 1.191 426 M CA 0.072 55.185 55.300 -0.311 0.000 1.101 426 M CB 1.133 33.571 32.600 -0.271 0.000 1.592 426 M HN 0.412 nan 8.290 nan 0.000 0.461 427 K N 3.166 123.060 120.400 -0.843 0.000 1.991 427 K HA 0.300 4.619 4.320 -0.001 0.000 0.208 427 K C 0.466 176.707 176.600 -0.599 0.000 1.038 427 K CA 1.059 56.718 56.287 -1.046 0.000 0.943 427 K CB 0.057 31.975 32.500 -0.969 0.000 0.736 427 K HN 0.793 nan 8.250 nan 0.000 0.440 428 A N 0.594 123.058 122.820 -0.593 0.000 2.573 428 A HA 0.467 4.786 4.320 -0.001 0.000 0.310 428 A C -1.724 175.598 177.584 -0.438 0.000 1.142 428 A CA -0.772 51.037 52.037 -0.380 0.000 0.620 428 A CB 1.092 19.965 19.000 -0.211 0.000 1.382 428 A HN 0.298 nan 8.150 nan 0.000 0.545 429 E N -1.756 118.339 120.200 -0.175 0.000 2.417 429 E HA 0.556 4.905 4.350 -0.001 0.000 0.280 429 E C -1.457 175.249 176.600 0.177 0.000 1.112 429 E CA -0.692 55.647 56.400 -0.102 0.000 0.863 429 E CB 1.421 30.992 29.700 -0.214 0.000 1.346 429 E HN 1.879 nan 8.360 nan 0.000 0.443 430 V N -1.707 118.313 119.914 0.176 0.000 2.752 430 V HA 0.585 4.705 4.120 -0.001 0.000 0.302 430 V C 0.201 176.294 176.094 -0.002 0.000 1.133 430 V CA -0.220 62.154 62.300 0.122 0.000 0.919 430 V CB 0.741 32.670 31.823 0.176 0.000 1.026 430 V HN 0.987 nan 8.190 nan 0.000 0.429 431 T N 2.406 116.897 114.554 -0.105 0.000 2.680 431 T HA 0.533 4.882 4.350 -0.001 0.000 0.314 431 T C 0.852 175.387 174.700 -0.276 0.000 1.045 431 T CA 0.434 62.452 62.100 -0.137 0.000 1.025 431 T CB 0.602 69.430 68.868 -0.067 0.000 1.000 431 T HN 1.712 nan 8.240 nan 0.000 0.535 432 G N -1.205 107.470 108.800 -0.208 0.000 2.588 432 G HA2 0.423 4.382 3.960 -0.001 0.000 0.281 432 G HA3 0.423 4.382 3.960 -0.001 0.000 0.281 432 G C 0.774 175.433 174.900 -0.402 0.000 1.236 432 G CA 0.006 44.851 45.100 -0.425 0.000 0.969 432 G HN 0.859 nan 8.290 nan 0.000 0.504 433 T N -2.051 112.230 114.554 -0.455 0.000 3.039 433 T HA 0.175 4.524 4.350 -0.001 0.000 0.250 433 T C 0.755 175.383 174.700 -0.120 0.000 1.052 433 T CA 0.987 62.891 62.100 -0.327 0.000 1.125 433 T CB -0.242 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 0.174 119.943 119.800 -0.052 0.000 2.456 434 Q HA 0.462 4.802 4.340 -0.001 0.000 0.284 434 Q C -1.443 174.620 176.000 0.105 0.000 1.061 434 Q CA -0.862 54.996 55.803 0.091 0.000 0.799 434 Q CB 2.066 30.983 28.738 0.299 0.000 1.445 434 Q HN 0.415 nan 8.270 nan 0.000 0.411 435 I N 2.518 123.146 120.570 0.096 0.000 2.533 435 I HA 0.258 4.427 4.170 -0.001 0.000 0.284 435 I C 0.972 177.183 176.117 0.156 0.000 1.109 435 I CA 1.918 63.284 61.300 0.109 0.000 1.412 435 I CB 0.147 38.193 38.000 0.076 0.000 1.396 435 I HN 1.030 nan 8.210 nan 0.000 0.543 436 G N 4.095 113.003 108.800 0.180 0.000 2.234 436 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.260 436 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.260 436 G C 1.085 176.181 174.900 0.327 0.000 0.987 436 G CA 0.818 46.056 45.100 0.231 0.000 0.625 436 G HN 0.936 nan 8.290 nan 0.000 0.532 437 S N -1.035 114.858 115.700 0.321 0.000 2.402 437 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 437 S C 1.300 176.153 174.600 0.421 0.000 1.030 437 S CA 1.856 60.294 58.200 0.395 0.000 1.003 437 S CB -0.305 63.053 63.200 0.264 0.000 0.813 437 S HN 1.875 nan 8.310 nan 0.000 0.477 438 Y N -0.833 119.579 120.300 0.186 0.000 3.994 438 Y HA -0.217 4.332 4.550 -0.001 0.000 0.236 438 Y C -0.116 175.838 175.900 0.090 0.000 1.272 438 Y CA 0.016 58.195 58.100 0.132 0.000 1.940 438 Y CB -2.143 36.412 38.460 0.159 0.000 1.599 438 Y HN 0.473 nan 8.280 nan 0.000 0.686 439 F N 1.598 121.561 119.950 0.022 0.000 2.504 439 F HA 0.401 4.927 4.527 -0.001 0.000 0.365 439 F C 1.114 176.890 175.800 -0.040 0.000 1.140 439 F CA 1.786 59.767 58.000 -0.031 0.000 1.077 439 F CB 0.178 39.125 39.000 -0.088 0.000 1.106 439 F HN 0.337 nan 8.300 nan 0.000 0.578 440 G N 3.189 111.762 108.800 -0.380 0.000 3.254 440 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.219 440 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.219 440 G C 1.074 175.918 174.900 -0.093 0.000 0.964 440 G CA 0.006 44.936 45.100 -0.283 0.000 0.823 440 G HN 0.995 nan 8.290 nan 0.000 0.579 441 A N 0.692 123.533 122.820 0.034 0.000 1.863 441 A HA 0.224 4.544 4.320 -0.001 0.000 0.218 441 A C 1.608 179.272 177.584 0.133 0.000 1.233 441 A CA 2.504 54.639 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 1.103 nan 8.150 nan 0.000 0.454 442 S N -1.866 113.837 115.700 0.006 0.000 2.578 442 S HA 0.731 5.201 4.470 -0.001 0.000 0.301 442 S C -0.965 173.597 174.600 -0.063 0.000 1.091 442 S CA -0.436 57.759 58.200 -0.008 0.000 1.032 442 S CB 1.561 64.728 63.200 -0.055 0.000 1.064 442 S HN 0.334 nan 8.310 nan 0.000 0.508 443 L N 1.138 122.341 121.223 -0.033 0.000 2.472 443 L HA 0.622 4.962 4.340 -0.001 0.000 0.260 443 L C -1.273 175.585 176.870 -0.021 0.000 0.963 443 L CA -0.281 54.532 54.840 -0.044 0.000 0.829 443 L CB 2.136 44.175 42.059 -0.032 0.000 1.348 443 L HN 0.841 nan 8.230 nan 0.000 0.408 444 C N 1.952 121.239 119.300 -0.022 0.000 2.620 444 C HA 0.662 5.122 4.460 -0.001 0.000 0.356 444 C C -0.201 174.794 174.990 0.007 0.000 1.082 444 C CA -0.661 58.353 59.018 -0.006 0.000 1.293 444 C CB 0.597 28.327 27.740 -0.016 0.000 1.836 444 C HN 0.862 nan 8.230 nan 0.000 0.453 445 S N 4.902 120.613 115.700 0.020 0.000 2.455 445 S HA 0.592 5.062 4.470 -0.001 0.000 0.278 445 S C -0.299 174.323 174.600 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 1.093 nan 8.310 nan 0.000 0.494 446 V N 1.891 121.828 119.914 0.039 0.000 3.113 446 V HA 0.587 4.706 4.120 -0.001 0.000 0.316 446 V C -1.282 174.845 176.094 0.055 0.000 1.125 446 V CA -0.876 61.450 62.300 0.043 0.000 1.026 446 V CB 2.234 34.078 31.823 0.037 0.000 1.080 446 V HN 1.007 nan 8.190 nan 0.000 0.444 447 D N 2.676 123.111 120.400 0.059 0.000 2.404 447 D HA 0.148 4.788 4.640 -0.001 0.000 0.267 447 D C 0.789 177.132 176.300 0.071 0.000 1.194 447 D CA 0.003 54.042 54.000 0.066 0.000 0.910 447 D CB 1.539 42.376 40.800 0.061 0.000 1.090 447 D HN 0.322 nan 8.370 nan 0.000 0.511 448 V N 3.450 123.409 119.914 0.075 0.000 2.363 448 V HA -0.295 3.824 4.120 -0.001 0.000 0.254 448 V C 0.822 176.966 176.094 0.084 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 -1.768 118.677 120.400 0.075 0.000 2.540 449 D HA 0.277 4.916 4.640 -0.001 0.000 0.229 449 D C 0.497 176.833 176.300 0.060 0.000 1.258 449 D CA 0.428 54.469 54.000 0.069 0.000 1.158 449 D CB 0.601 41.439 40.800 0.064 0.000 1.178 449 D HN 0.131 nan 8.370 nan 0.000 0.541 450 S N -0.996 114.735 115.700 0.051 0.000 3.078 450 S HA 0.113 4.583 4.470 -0.001 0.000 0.248 450 S C -0.238 174.381 174.600 0.031 0.000 0.857 450 S CA -0.242 57.982 58.200 0.041 0.000 1.139 450 S CB 0.033 63.255 63.200 0.037 0.000 1.186 450 S HN 0.524 nan 8.310 nan 0.000 0.567 451 D N 1.321 121.742 120.400 0.035 0.000 2.363 451 D HA 0.150 4.790 4.640 -0.001 0.000 0.226 451 D C 1.484 177.791 176.300 0.011 0.000 1.020 451 D CA 0.967 54.980 54.000 0.021 0.000 0.892 451 D CB -0.442 40.375 40.800 0.029 0.000 0.900 451 D HN 0.475 nan 8.370 nan 0.000 0.531 452 G N -0.434 108.380 108.800 0.024 0.000 2.205 452 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.261 452 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.261 452 G C 0.270 175.189 174.900 0.032 0.000 0.980 452 G CA 0.317 45.428 45.100 0.019 0.000 0.632 452 G HN 0.408 nan 8.290 nan 0.000 0.533 453 S N 1.892 117.624 115.700 0.055 0.000 2.512 453 S HA 0.507 4.976 4.470 -0.001 0.000 0.291 453 S C 0.497 175.218 174.600 0.201 0.000 1.151 453 S CA 0.112 58.387 58.200 0.125 0.000 1.120 453 S CB 1.126 64.380 63.200 0.090 0.000 1.029 453 S HN 0.511 nan 8.310 nan 0.000 0.485 454 T N 3.708 118.363 114.554 0.167 0.000 2.367 454 T HA -0.120 4.229 4.350 -0.001 0.000 0.207 454 T C 0.702 175.484 174.700 0.136 0.000 1.065 454 T CA 0.717 62.895 62.100 0.131 0.000 1.252 454 T CB -0.066 68.867 68.868 0.108 0.000 1.023 454 T HN 0.471 nan 8.240 nan 0.000 0.462 455 D N 1.569 122.031 120.400 0.103 0.000 2.259 455 D HA 0.204 4.844 4.640 -0.001 0.000 0.216 455 D C 0.750 177.083 176.300 0.055 0.000 0.961 455 D CA 0.749 54.802 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 -2.940 118.314 121.223 0.053 0.000 2.389 456 L HA 0.758 5.097 4.340 -0.001 0.000 0.249 456 L C -1.027 175.874 176.870 0.051 0.000 1.083 456 L CA -1.107 53.759 54.840 0.042 0.000 0.876 456 L CB 2.038 44.112 42.059 0.026 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 0.508 4.627 4.120 -0.001 0.000 0.304 457 V C -0.422 175.693 176.094 0.035 0.000 1.071 457 V CA -0.324 62.014 62.300 0.063 0.000 0.894 457 V CB 1.830 33.728 31.823 0.126 0.000 1.008 457 V HN 0.695 nan 8.190 nan 0.000 0.425 458 L N 5.127 126.348 121.223 -0.003 0.000 2.399 458 L HA 0.677 5.016 4.340 -0.001 0.000 0.265 458 L C -0.577 176.247 176.870 -0.077 0.000 1.089 458 L CA -0.471 54.343 54.840 -0.044 0.000 0.802 458 L CB 1.564 43.579 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 0.536 4.706 4.170 -0.001 0.000 0.302 459 I C -0.080 175.879 176.117 -0.264 0.000 1.140 459 I CA -0.567 60.579 61.300 -0.258 0.000 1.021 459 I CB 2.366 40.078 38.000 -0.481 0.000 1.233 459 I HN 0.606 nan 8.210 nan 0.000 0.427 460 G N 2.433 111.064 108.800 -0.282 0.000 2.420 460 G HA2 0.751 4.711 3.960 -0.001 0.000 0.331 460 G HA3 0.751 4.711 3.960 -0.001 0.000 0.331 460 G C -0.903 173.911 174.900 -0.142 0.000 1.168 460 G CA -0.558 44.419 45.100 -0.204 0.000 0.936 460 G HN 0.810 nan 8.290 nan 0.000 0.479 461 A N 2.670 125.446 122.820 -0.073 0.000 3.411 461 A HA 0.610 4.929 4.320 -0.001 0.000 0.238 461 A C -1.949 175.651 177.584 0.026 0.000 1.140 461 A CA -0.564 51.504 52.037 0.051 0.000 0.980 461 A CB 1.025 20.097 19.000 0.120 0.000 1.371 461 A HN 0.350 nan 8.150 nan 0.000 0.700 462 P HA -0.162 nan 4.420 nan 0.000 0.218 462 P C 0.279 177.425 177.300 -0.256 0.000 1.146 462 P CA 1.425 64.341 63.100 -0.306 0.000 0.820 462 P CB -0.067 31.252 31.700 -0.636 0.000 0.778 463 H N -2.278 116.881 119.070 0.148 0.000 2.432 463 H HA 0.310 4.865 4.556 -0.001 0.000 0.226 463 H C -0.606 174.941 175.328 0.365 0.000 1.634 463 H CA -0.507 55.654 56.048 0.189 0.000 1.253 463 H CB -0.524 29.294 29.762 0.094 0.000 1.584 463 H HN 0.170 nan 8.280 nan 0.000 0.545 464 Y N 2.313 122.807 120.300 0.323 0.000 2.581 464 Y HA 0.488 5.038 4.550 -0.001 0.000 0.345 464 Y C -1.485 174.683 175.900 0.446 0.000 1.036 464 Y CA -1.398 56.897 58.100 0.325 0.000 1.042 464 Y CB 1.649 40.224 38.460 0.192 0.000 1.289 464 Y HN 0.284 nan 8.280 nan 0.000 0.471 465 Y N 0.514 120.253 120.300 -0.935 0.000 3.045 465 Y HA 0.396 4.946 4.550 -0.001 0.000 0.387 465 Y C -0.600 174.923 175.900 -0.628 0.000 1.306 465 Y CA -0.638 57.073 58.100 -0.648 0.000 1.121 465 Y CB 0.426 38.779 38.460 -0.177 0.000 2.062 465 Y HN 0.563 nan 8.280 nan 0.000 0.416 466 E N -1.660 118.389 120.200 -0.252 0.000 2.662 466 E HA 0.180 4.530 4.350 -0.001 0.000 0.205 466 E C 0.335 176.976 176.600 0.067 0.000 1.003 466 E CA 0.139 56.403 56.400 -0.227 0.000 1.685 466 E CB 0.277 29.882 29.700 -0.159 0.000 2.386 466 E HN 0.464 nan 8.360 nan 0.000 1.092 467 Q N 0.312 120.197 119.800 0.141 0.000 2.427 467 Q HA 0.244 4.584 4.340 -0.001 0.000 0.249 467 Q C -0.085 175.975 176.000 0.100 0.000 0.783 467 Q CA 0.938 56.816 55.803 0.125 0.000 0.978 467 Q CB 1.950 30.725 28.738 0.061 0.000 1.273 467 Q HN 0.084 nan 8.270 nan 0.000 0.524 468 T N 1.732 116.346 114.554 0.099 0.000 2.812 468 T HA 0.430 4.779 4.350 -0.001 0.000 0.282 468 T C 0.102 174.858 174.700 0.094 0.000 0.990 468 T CA -0.414 61.715 62.100 0.049 0.000 0.960 468 T CB 1.567 70.463 68.868 0.046 0.000 0.948 468 T HN -0.040 nan 8.240 nan 0.000 0.438 469 R N 2.053 122.572 120.500 0.032 0.000 4.031 469 R HA 0.210 4.549 4.340 -0.001 0.000 0.269 469 R C 1.850 178.271 176.300 0.201 0.000 1.668 469 R CA -0.303 55.865 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 0.072 108.989 108.800 0.194 0.000 2.418 470 G HA2 0.026 3.986 3.960 -0.001 0.000 0.217 470 G HA3 0.026 3.986 3.960 -0.001 0.000 0.217 470 G C 0.666 175.754 174.900 0.313 0.000 1.158 470 G CA 0.804 46.046 45.100 0.236 0.000 0.771 470 G HN 0.616 nan 8.290 nan 0.000 0.545 471 G N -2.038 106.966 108.800 0.340 0.000 2.334 471 G HA2 0.424 4.384 3.960 -0.001 0.000 0.315 471 G HA3 0.424 4.384 3.960 -0.001 0.000 0.315 471 G C -1.741 173.429 174.900 0.451 0.000 1.284 471 G CA 0.036 45.359 45.100 0.371 0.000 0.985 471 G HN 0.741 nan 8.290 nan 0.000 0.504 472 Q N -0.959 119.040 119.800 0.332 0.000 2.380 472 Q HA 0.578 4.918 4.340 -0.001 0.000 0.245 472 Q C -1.259 174.771 176.000 0.050 0.000 0.893 472 Q CA -0.508 55.475 55.803 0.299 0.000 0.922 472 Q CB 1.905 30.860 28.738 0.362 0.000 1.432 472 Q HN 1.122 nan 8.270 nan 0.000 0.434 473 V N 2.206 122.124 119.914 0.006 0.000 2.581 473 V HA 0.843 4.962 4.120 -0.001 0.000 0.303 473 V C -0.484 175.636 176.094 0.043 0.000 1.041 473 V CA -0.655 61.575 62.300 -0.117 0.000 0.907 473 V CB 1.988 33.607 31.823 -0.339 0.000 0.994 473 V HN 0.733 nan 8.190 nan 0.000 0.442 474 S N 2.975 118.692 115.700 0.028 0.000 2.605 474 S HA 0.518 4.988 4.470 -0.001 0.000 0.308 474 S C -0.950 173.683 174.600 0.056 0.000 1.113 474 S CA -0.474 57.799 58.200 0.121 0.000 1.049 474 S CB 1.518 64.880 63.200 0.270 0.000 1.001 474 S HN 0.710 nan 8.310 nan 0.000 0.480 475 V N 6.125 126.073 119.914 0.057 0.000 2.461 475 V HA 0.576 4.695 4.120 -0.001 0.000 0.275 475 V C -0.757 175.324 176.094 -0.021 0.000 1.047 475 V CA -0.096 62.212 62.300 0.013 0.000 0.955 475 V CB 0.152 31.984 31.823 0.016 0.000 0.988 475 V HN 1.064 nan 8.190 nan 0.000 0.471 476 c N 8.040 126.604 118.600 -0.060 0.000 2.949 476 c HA 0.423 4.993 4.570 -0.001 0.000 0.306 476 c C -2.339 171.652 174.090 -0.165 0.000 1.045 476 c CA -1.131 55.065 56.329 -0.223 0.000 1.414 476 c CB 0.655 43.003 42.510 -0.270 0.000 1.854 476 c HN 0.748 nan 8.230 nan 0.000 0.487 477 P HA 0.076 nan 4.420 nan 0.000 0.273 477 P C -0.260 177.020 177.300 -0.033 0.000 1.252 477 P CA -0.259 62.762 63.100 -0.130 0.000 0.809 477 P CB 0.506 32.104 31.700 -0.169 0.000 1.017 478 L N 1.195 122.435 121.223 0.028 0.000 2.709 478 L HA 0.451 4.791 4.340 -0.001 0.000 0.236 478 L C -2.450 174.383 176.870 -0.062 0.000 1.266 478 L CA -2.474 52.437 54.840 0.117 0.000 0.987 478 L CB -0.409 41.641 42.059 -0.014 0.000 1.306 478 L HN 0.130 nan 8.230 nan 0.000 0.467 479 P HA 0.045 nan 4.420 nan 0.000 0.263 479 P C -0.732 176.497 177.300 -0.120 0.000 1.175 479 P CA 0.192 63.181 63.100 -0.185 0.000 0.761 479 P CB 0.354 31.769 31.700 -0.475 0.000 0.794 480 R N 2.298 122.714 120.500 -0.140 0.000 2.407 480 R HA 0.658 4.998 4.340 -0.001 0.000 0.303 480 R C -0.264 176.006 176.300 -0.049 0.000 0.981 480 R CA -0.010 55.994 56.100 -0.159 0.000 0.905 480 R CB 0.423 30.522 30.300 -0.335 0.000 1.099 480 R HN 0.694 nan 8.270 nan 0.000 0.459 481 G N 4.067 112.877 108.800 0.018 0.000 2.551 481 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.604 481 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.604 481 G C -0.941 174.054 174.900 0.159 0.000 1.116 481 G CA -0.713 44.390 45.100 0.005 0.000 1.285 481 G HN 0.367 nan 8.290 nan 0.000 0.586 482 W N 1.765 123.023 121.300 -0.069 0.000 2.055 482 W HA 0.450 5.109 4.660 -0.001 0.000 0.356 482 W C 1.780 178.287 176.519 -0.019 0.000 1.331 482 W CA 0.212 57.514 57.345 -0.072 0.000 1.364 482 W CB -0.165 29.243 29.460 -0.087 0.000 1.274 482 W HN 0.897 nan 8.180 nan 0.000 0.645 483 R N -1.266 119.373 120.500 0.231 0.000 3.922 483 R HA -0.239 4.101 4.340 -0.001 0.000 0.447 483 R C 0.308 176.708 176.300 0.166 0.000 1.035 483 R CA 1.473 57.664 56.100 0.152 0.000 1.289 483 R CB -1.165 29.215 30.300 0.133 0.000 1.906 483 R HN 0.497 nan 8.270 nan 0.000 0.540 484 R N -0.145 120.487 120.500 0.220 0.000 2.533 484 R HA 0.409 4.748 4.340 -0.001 0.000 0.288 484 R C -2.046 174.501 176.300 0.412 0.000 1.039 484 R CA -0.608 55.683 56.100 0.319 0.000 0.909 484 R CB 1.391 31.891 30.300 0.333 0.000 1.195 484 R HN 0.117 nan 8.270 nan 0.000 0.438 485 W N 6.370 127.792 121.300 0.203 0.000 4.071 485 W HA 0.329 4.988 4.660 -0.001 0.000 0.274 485 W C -2.362 174.216 176.519 0.098 0.000 1.278 485 W CA -0.699 56.578 57.345 -0.113 0.000 1.258 485 W CB 0.786 30.120 29.460 -0.210 0.000 1.236 485 W HN 0.579 nan 8.180 nan 0.000 0.530 486 W N 4.864 125.753 121.300 -0.685 0.000 2.619 486 W HA 0.599 5.259 4.660 -0.001 0.000 0.327 486 W C -0.354 175.646 176.519 -0.864 0.000 1.027 486 W CA -1.172 55.818 57.345 -0.592 0.000 1.233 486 W CB 0.563 29.834 29.460 -0.315 0.000 1.370 486 W HN 0.323 nan 8.180 nan 0.000 0.453 487 c N 2.154 120.380 118.600 -0.624 0.000 2.485 487 c HA -0.088 4.482 4.570 -0.001 0.000 0.283 487 c C 0.804 174.811 174.090 -0.139 0.000 1.478 487 c CA 0.893 56.961 56.329 -0.434 0.000 1.741 487 c CB -1.984 40.420 42.510 -0.176 0.000 1.675 487 c HN 0.731 nan 8.230 nan 0.000 0.573 488 D N 0.173 120.575 120.400 0.002 0.000 2.634 488 D HA 0.369 5.009 4.640 -0.001 0.000 0.318 488 D C 0.283 176.739 176.300 0.260 0.000 1.226 488 D CA -0.083 53.978 54.000 0.102 0.000 0.899 488 D CB 0.192 41.018 40.800 0.043 0.000 1.025 488 D HN 0.240 nan 8.370 nan 0.000 0.501 489 A N 2.236 125.226 122.820 0.284 0.000 3.063 489 A HA 0.490 4.810 4.320 -0.001 0.000 0.263 489 A C 1.371 179.017 177.584 0.104 0.000 1.736 489 A CA -0.205 51.967 52.037 0.226 0.000 1.408 489 A CB -0.785 18.336 19.000 0.203 0.000 1.108 489 A HN 0.457 nan 8.150 nan 0.000 0.621 490 V N -0.522 119.439 119.914 0.078 0.000 0.683 490 V HA -0.395 3.725 4.120 -0.001 0.000 0.092 490 V C 1.220 177.378 176.094 0.105 0.000 0.907 490 V CA 2.205 64.543 62.300 0.063 0.000 3.123 490 V CB -2.086 29.754 31.823 0.029 0.000 0.264 490 V HN 1.300 nan 8.190 nan 0.000 0.215 491 L N 0.465 121.726 121.223 0.062 0.000 2.543 491 L HA 0.754 5.093 4.340 -0.001 0.000 0.231 491 L C -0.370 176.577 176.870 0.130 0.000 1.194 491 L CA 0.030 54.862 54.840 -0.014 0.000 0.823 491 L CB 0.472 42.495 42.059 -0.060 0.000 1.374 491 L HN 0.991 nan 8.230 nan 0.000 0.507 492 Y N -2.500 117.839 120.300 0.064 0.000 2.262 492 Y HA 0.672 5.222 4.550 -0.001 0.000 0.317 492 Y C -0.253 175.715 175.900 0.114 0.000 1.230 492 Y CA -1.129 57.012 58.100 0.068 0.000 1.166 492 Y CB -0.113 38.394 38.460 0.079 0.000 1.254 492 Y HN 0.923 nan 8.280 nan 0.000 0.405 493 G N 2.365 111.270 108.800 0.174 0.000 2.503 493 G HA2 0.563 4.523 3.960 -0.001 0.000 0.257 493 G HA3 0.563 4.523 3.960 -0.001 0.000 0.257 493 G C -0.552 174.608 174.900 0.432 0.000 1.214 493 G CA -0.190 45.045 45.100 0.225 0.000 0.839 493 G HN 0.817 nan 8.290 nan 0.000 0.559 494 E N -0.608 119.731 120.200 0.230 0.000 2.429 494 E HA 0.558 4.908 4.350 -0.001 0.000 0.141 494 E C -0.979 175.351 176.600 -0.450 0.000 1.003 494 E CA -0.730 55.711 56.400 0.069 0.000 0.817 494 E CB 1.182 31.016 29.700 0.223 0.000 2.152 494 E HN 0.400 nan 8.360 nan 0.000 0.442 495 Q N -0.803 118.880 119.800 -0.194 0.000 2.791 495 Q HA 0.380 4.719 4.340 -0.001 0.000 0.280 495 Q C -1.685 174.338 176.000 0.038 0.000 0.928 495 Q CA 0.019 55.733 55.803 -0.148 0.000 0.819 495 Q CB 1.588 30.150 28.738 -0.294 0.000 1.552 495 Q HN 0.583 nan 8.270 nan 0.000 0.410 496 G N 1.451 110.304 108.800 0.088 0.000 3.717 496 G HA2 0.415 4.375 3.960 -0.001 0.000 0.258 496 G HA3 0.415 4.375 3.960 -0.001 0.000 0.258 496 G C -0.983 174.021 174.900 0.174 0.000 1.088 496 G CA 0.296 45.462 45.100 0.111 0.000 1.737 496 G HN 0.546 nan 8.290 nan 0.000 0.648 497 H N 0.392 119.501 119.070 0.065 0.000 3.275 497 H HA 0.391 4.946 4.556 -0.001 0.000 0.326 497 H C -2.736 172.653 175.328 0.101 0.000 1.096 497 H CA -1.092 55.001 56.048 0.076 0.000 1.579 497 H CB 2.209 32.029 29.762 0.098 0.000 1.834 497 H HN 0.115 nan 8.280 nan 0.000 0.510 498 P HA -0.115 nan 4.420 nan 0.000 0.270 498 P C -0.295 177.040 177.300 0.058 0.000 1.221 498 P CA 0.219 63.251 63.100 -0.113 0.000 0.788 498 P CB 0.371 31.898 31.700 -0.289 0.000 0.904 499 W N 0.276 121.551 121.300 -0.042 0.000 6.351 499 W HA -0.119 4.541 4.660 -0.001 0.000 0.403 499 W C 1.261 177.858 176.519 0.130 0.000 1.540 499 W CA 1.277 58.640 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 -0.880 108.141 108.800 0.369 0.000 2.833 500 G HA2 0.102 4.061 3.960 -0.001 0.000 0.210 500 G HA3 0.102 4.061 3.960 -0.001 0.000 0.210 500 G C 0.913 175.982 174.900 0.282 0.000 1.139 500 G CA 0.041 45.367 45.100 0.376 0.000 0.771 500 G HN 0.240 nan 8.290 nan 0.000 0.535 501 R N -0.839 119.784 120.500 0.205 0.000 3.205 501 R HA -0.196 4.143 4.340 -0.001 0.000 0.249 501 R C -0.767 175.625 176.300 0.153 0.000 0.937 501 R CA 0.233 56.375 56.100 0.070 0.000 0.641 501 R CB -2.159 28.150 30.300 0.015 0.000 1.114 501 R HN 0.429 nan 8.270 nan 0.000 0.451 502 F N 0.545 120.533 119.950 0.064 0.000 2.404 502 F HA 0.427 4.953 4.527 -0.001 0.000 0.358 502 F C 1.238 177.052 175.800 0.023 0.000 1.120 502 F CA 0.989 59.040 58.000 0.084 0.000 1.144 502 F CB 1.126 40.183 39.000 0.094 0.000 1.133 502 F HN 0.373 nan 8.300 nan 0.000 0.495 503 G N 3.497 111.971 108.800 -0.544 0.000 2.183 503 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.168 503 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.168 503 G C 0.865 175.613 174.900 -0.253 0.000 1.008 503 G CA 0.011 44.800 45.100 -0.518 0.000 0.677 503 G HN 1.144 nan 8.290 nan 0.000 0.498 504 A N -0.473 122.248 122.820 -0.166 0.000 1.948 504 A HA 0.578 4.898 4.320 -0.001 0.000 0.220 504 A C 1.607 179.143 177.584 -0.079 0.000 1.177 504 A CA 2.752 54.723 52.037 -0.111 0.000 0.636 504 A CB -0.199 18.762 19.000 -0.065 0.000 0.815 504 A HN 2.337 nan 8.150 nan 0.000 0.449 505 A N -2.480 120.287 122.820 -0.088 0.000 2.568 505 A HA 0.725 5.045 4.320 -0.001 0.000 0.291 505 A C -1.468 176.069 177.584 -0.079 0.000 1.159 505 A CA -0.096 51.900 52.037 -0.068 0.000 0.679 505 A CB 0.641 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 -3.550 117.640 121.223 -0.054 0.000 3.025 506 L HA 0.821 5.161 4.340 -0.001 0.000 0.240 506 L C -0.666 176.192 176.870 -0.021 0.000 0.985 506 L CA -0.164 54.651 54.840 -0.042 0.000 1.029 506 L CB 1.017 43.029 42.059 -0.079 0.000 1.519 506 L HN 1.216 nan 8.230 nan 0.000 0.422 507 T N -0.191 114.361 114.554 -0.003 0.000 2.894 507 T HA 0.622 4.972 4.350 -0.001 0.000 0.309 507 T C -1.336 173.375 174.700 0.019 0.000 1.208 507 T CA -0.239 61.867 62.100 0.009 0.000 1.016 507 T CB 2.105 70.982 68.868 0.015 0.000 1.192 507 T HN 1.419 nan 8.240 nan 0.000 0.491 508 V N 5.454 125.382 119.914 0.023 0.000 2.585 508 V HA 0.307 4.426 4.120 -0.001 0.000 0.296 508 V C 0.736 176.849 176.094 0.033 0.000 1.035 508 V CA 0.300 62.618 62.300 0.031 0.000 1.084 508 V CB 0.812 32.654 31.823 0.033 0.000 0.953 508 V HN 0.858 nan 8.190 nan 0.000 0.483 509 L N 7.104 128.350 121.223 0.038 0.000 2.500 509 L HA 0.669 5.008 4.340 -0.001 0.000 0.219 509 L C 1.011 177.903 176.870 0.036 0.000 1.057 509 L CA 1.811 56.673 54.840 0.036 0.000 0.854 509 L CB -0.394 41.687 42.059 0.037 0.000 1.078 509 L HN 1.202 nan 8.230 nan 0.000 0.480 510 G N -0.203 108.624 108.800 0.045 0.000 2.545 510 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 510 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 510 G C -0.907 174.027 174.900 0.057 0.000 1.314 510 G CA -0.050 45.078 45.100 0.047 0.000 0.906 510 G HN 0.320 nan 8.290 nan 0.000 0.563 511 D N 0.915 121.346 120.400 0.052 0.000 2.352 511 D HA 0.369 5.008 4.640 -0.001 0.000 0.245 511 D C 1.680 178.007 176.300 0.045 0.000 1.224 511 D CA 0.469 54.505 54.000 0.060 0.000 0.879 511 D CB 1.105 41.939 40.800 0.057 0.000 1.057 511 D HN 1.068 nan 8.370 nan 0.000 0.491 512 V N 2.188 122.127 119.914 0.043 0.000 3.151 512 V HA 0.101 4.220 4.120 -0.001 0.000 0.241 512 V C 1.373 177.464 176.094 -0.004 0.000 1.173 512 V CA 0.615 62.919 62.300 0.008 0.000 1.154 512 V CB -0.358 31.453 31.823 -0.019 0.000 0.898 512 V HN 0.471 nan 8.190 nan 0.000 0.473 513 N N 1.299 119.999 118.700 -0.000 0.000 2.280 513 N HA 0.288 5.028 4.740 -0.001 0.000 0.192 513 N C 1.482 177.135 175.510 0.238 0.000 1.109 513 N CA 0.775 53.855 53.050 0.050 0.000 0.855 513 N CB 0.448 38.858 38.487 -0.128 0.000 0.974 513 N HN 0.969 nan 8.380 nan 0.000 0.482 514 G N 1.098 109.994 108.800 0.160 0.000 2.148 514 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.254 514 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.254 514 G C -0.098 174.918 174.900 0.193 0.000 0.981 514 G CA 0.419 45.607 45.100 0.147 0.000 0.670 514 G HN 0.669 nan 8.290 nan 0.000 0.528 515 D N -0.009 120.527 120.400 0.226 0.000 2.434 515 D HA 0.288 4.928 4.640 -0.001 0.000 0.232 515 D C 1.354 177.739 176.300 0.141 0.000 1.166 515 D CA -0.172 53.957 54.000 0.216 0.000 0.830 515 D CB 0.013 40.945 40.800 0.219 0.000 0.960 515 D HN 0.280 nan 8.370 nan 0.000 0.497 516 K N -0.567 119.902 120.400 0.115 0.000 3.426 516 K HA -0.190 4.130 4.320 -0.001 0.000 0.315 516 K C -0.410 176.246 176.600 0.094 0.000 1.293 516 K CA 0.527 56.867 56.287 0.089 0.000 0.955 516 K CB -1.971 30.575 32.500 0.077 0.000 1.238 516 K HN 0.432 nan 8.250 nan 0.000 0.441 517 L N 1.911 123.202 121.223 0.113 0.000 2.324 517 L HA 0.187 4.527 4.340 -0.001 0.000 0.274 517 L C 0.822 177.776 176.870 0.140 0.000 1.012 517 L CA -0.404 54.511 54.840 0.125 0.000 0.859 517 L CB 1.718 43.861 42.059 0.139 0.000 1.224 517 L HN -0.041 nan 8.230 nan 0.000 0.429 518 T N 1.863 116.486 114.554 0.115 0.000 2.906 518 T HA -0.017 4.332 4.350 -0.001 0.000 0.329 518 T C -0.350 174.431 174.700 0.135 0.000 1.091 518 T CA 0.372 62.536 62.100 0.108 0.000 1.127 518 T CB 0.098 69.017 68.868 0.085 0.000 1.035 518 T HN 0.486 nan 8.240 nan 0.000 0.547 519 D N 1.650 122.120 120.400 0.115 0.000 2.671 519 D HA 0.530 5.169 4.640 -0.001 0.000 0.232 519 D C -0.369 175.969 176.300 0.063 0.000 1.114 519 D CA -0.326 53.733 54.000 0.098 0.000 0.858 519 D CB 1.894 42.755 40.800 0.102 0.000 1.544 519 D HN 0.501 nan 8.370 nan 0.000 0.471 520 V N -1.570 118.384 119.914 0.067 0.000 2.960 520 V HA 0.841 4.961 4.120 -0.001 0.000 0.315 520 V C -0.314 175.846 176.094 0.111 0.000 1.087 520 V CA -0.728 61.614 62.300 0.070 0.000 0.982 520 V CB 1.820 33.671 31.823 0.047 0.000 1.039 520 V HN 0.285 nan 8.190 nan 0.000 0.437 521 V N 2.906 122.876 119.914 0.093 0.000 2.715 521 V HA 0.658 4.778 4.120 -0.001 0.000 0.310 521 V C -0.320 175.843 176.094 0.115 0.000 1.054 521 V CA -0.477 61.901 62.300 0.130 0.000 0.928 521 V CB 1.735 33.607 31.823 0.083 0.000 1.007 521 V HN 0.844 nan 8.190 nan 0.000 0.437 522 I N 1.829 122.520 120.570 0.201 0.000 2.607 522 I HA 0.569 4.738 4.170 -0.001 0.000 0.290 522 I C 0.412 176.680 176.117 0.253 0.000 1.129 522 I CA -0.423 60.974 61.300 0.162 0.000 1.042 522 I CB 2.248 40.330 38.000 0.136 0.000 1.242 522 I HN 0.759 nan 8.210 nan 0.000 0.421 523 G N 3.610 112.468 108.800 0.096 0.000 2.477 523 G HA2 0.739 4.698 3.960 -0.001 0.000 0.304 523 G HA3 0.739 4.698 3.960 -0.001 0.000 0.304 523 G C -0.587 174.441 174.900 0.214 0.000 1.175 523 G CA -0.418 44.726 45.100 0.074 0.000 0.907 523 G HN 0.841 nan 8.290 nan 0.000 0.509 524 A N 1.281 124.226 122.820 0.208 0.000 2.913 524 A HA 0.594 4.914 4.320 -0.001 0.000 0.284 524 A C -2.331 175.389 177.584 0.226 0.000 1.273 524 A CA -0.587 51.636 52.037 0.309 0.000 0.899 524 A CB 1.268 20.639 19.000 0.619 0.000 1.444 524 A HN 0.324 nan 8.150 nan 0.000 0.586 525 P HA 0.049 nan 4.420 nan 0.000 0.239 525 P C 1.378 178.822 177.300 0.241 0.000 1.184 525 P CA 1.627 64.861 63.100 0.223 0.000 0.760 525 P CB 0.344 32.167 31.700 0.204 0.000 0.884 526 G N -1.350 107.579 108.800 0.215 0.000 2.986 526 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.213 526 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.213 526 G C 0.582 175.655 174.900 0.287 0.000 1.156 526 G CA -0.074 45.163 45.100 0.228 0.000 0.763 526 G HN 0.113 nan 8.290 nan 0.000 0.547 527 E N 1.117 121.469 120.200 0.252 0.000 2.461 527 E HA 0.096 4.446 4.350 -0.001 0.000 0.263 527 E C 0.771 177.391 176.600 0.033 0.000 1.143 527 E CA 0.153 56.634 56.400 0.135 0.000 0.994 527 E CB 0.445 30.172 29.700 0.046 0.000 0.973 527 E HN 0.517 nan 8.360 nan 0.000 0.457 528 E N 0.039 120.007 120.200 -0.387 0.000 3.675 528 E HA -0.288 4.062 4.350 -0.001 0.000 0.252 528 E C -0.113 176.614 176.600 0.211 0.000 1.502 528 E CA 1.514 57.838 56.400 -0.127 0.000 2.293 528 E CB -0.583 29.074 29.700 -0.072 0.000 2.078 528 E HN 0.702 nan 8.360 nan 0.000 0.461 529 E N 2.274 122.565 120.200 0.153 0.000 1.999 529 E HA 0.076 4.425 4.350 -0.001 0.000 0.296 529 E C 0.309 177.012 176.600 0.172 0.000 1.187 529 E CA 0.539 57.040 56.400 0.169 0.000 1.229 529 E CB 0.080 29.851 29.700 0.117 0.000 1.131 529 E HN 0.573 nan 8.360 nan 0.000 0.478 530 N N 1.342 120.174 118.700 0.220 0.000 2.946 530 N HA -0.219 4.520 4.740 -0.001 0.000 0.228 530 N C -0.430 175.217 175.510 0.228 0.000 0.873 530 N CA 1.213 54.399 53.050 0.227 0.000 1.029 530 N CB -0.565 38.053 38.487 0.217 0.000 1.047 530 N HN 0.414 nan 8.380 nan 0.000 0.612 531 R N 0.565 121.165 120.500 0.167 0.000 2.905 531 R HA 0.327 4.666 4.340 -0.001 0.000 0.273 531 R C 1.271 177.688 176.300 0.196 0.000 1.033 531 R CA 0.798 56.979 56.100 0.134 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 -1.117 107.824 108.800 0.235 0.000 2.557 532 G HA2 0.573 4.532 3.960 -0.001 0.000 0.292 532 G HA3 0.573 4.532 3.960 -0.001 0.000 0.292 532 G C -1.051 174.099 174.900 0.416 0.000 1.237 532 G CA 0.131 45.513 45.100 0.471 0.000 0.978 532 G HN 0.684 nan 8.290 nan 0.000 0.498 533 A N -1.931 121.200 122.820 0.520 0.000 2.590 533 A HA 0.636 4.956 4.320 -0.001 0.000 0.294 533 A C -1.397 176.246 177.584 0.098 0.000 1.046 533 A CA -0.354 51.847 52.037 0.274 0.000 0.684 533 A CB 1.143 20.153 19.000 0.017 0.000 1.279 533 A HN 1.511 nan 8.150 nan 0.000 0.415 534 V N 0.401 120.261 119.914 -0.089 0.000 3.147 534 V HA 0.730 4.850 4.120 -0.001 0.000 0.306 534 V C -1.476 174.419 176.094 -0.333 0.000 1.209 534 V CA -0.630 61.608 62.300 -0.105 0.000 1.023 534 V CB 2.112 33.940 31.823 0.008 0.000 1.059 534 V HN 0.921 nan 8.190 nan 0.000 0.435 535 Y N 1.903 122.310 120.300 0.179 0.000 2.576 535 Y HA 0.833 5.382 4.550 -0.001 0.000 0.346 535 Y C -0.674 175.363 175.900 0.230 0.000 1.018 535 Y CA -0.957 57.243 58.100 0.167 0.000 1.050 535 Y CB 2.104 40.771 38.460 0.345 0.000 1.280 535 Y HN 0.507 nan 8.280 nan 0.000 0.474 536 L N 2.374 123.770 121.223 0.289 0.000 2.406 536 L HA 0.692 5.031 4.340 -0.001 0.000 0.272 536 L C -2.029 174.828 176.870 -0.021 0.000 0.980 536 L CA -0.613 54.331 54.840 0.173 0.000 0.831 536 L CB 0.596 42.683 42.059 0.048 0.000 1.253 536 L HN 0.456 nan 8.230 nan 0.000 0.406 537 F N 2.784 122.655 119.950 -0.132 0.000 2.639 537 F HA 0.697 5.224 4.527 -0.001 0.000 0.339 537 F C 0.124 175.649 175.800 -0.458 0.000 1.071 537 F CA -0.648 57.248 58.000 -0.173 0.000 0.994 537 F CB 1.563 40.584 39.000 0.034 0.000 1.341 537 F HN 0.404 nan 8.300 nan 0.000 0.498 538 H N -1.006 118.251 119.070 0.312 0.000 2.895 538 H HA 0.494 5.049 4.556 -0.001 0.000 0.373 538 H C 0.018 175.456 175.328 0.184 0.000 1.174 538 H CA -0.963 55.208 56.048 0.205 0.000 1.144 538 H CB 1.540 31.402 29.762 0.168 0.000 1.793 538 H HN 0.771 nan 8.280 nan 0.000 0.551 539 G N -0.008 108.950 108.800 0.263 0.000 2.553 539 G HA2 0.395 4.355 3.960 -0.001 0.000 0.278 539 G HA3 0.395 4.355 3.960 -0.001 0.000 0.278 539 G C 0.377 175.380 174.900 0.172 0.000 1.349 539 G CA 0.095 45.306 45.100 0.184 0.000 1.037 539 G HN 0.362 nan 8.290 nan 0.000 0.508 540 V N -1.432 118.561 119.914 0.131 0.000 4.771 540 V HA 0.407 4.526 4.120 -0.001 0.000 0.148 540 V C -0.135 176.017 176.094 0.097 0.000 1.138 540 V CA -0.039 62.329 62.300 0.114 0.000 1.282 540 V CB -0.167 31.719 31.823 0.105 0.000 1.742 540 V HN 0.398 nan 8.190 nan 0.000 0.563 541 L N 0.813 122.090 121.223 0.089 0.000 2.620 541 L HA 0.639 4.978 4.340 -0.001 0.000 0.261 541 L C 0.300 177.217 176.870 0.078 0.000 0.978 541 L CA 0.397 55.286 54.840 0.081 0.000 0.897 541 L CB 1.159 43.264 42.059 0.077 0.000 1.207 541 L HN 0.683 nan 8.230 nan 0.000 0.425 542 G N 4.361 113.208 108.800 0.077 0.000 2.509 542 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.259 542 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.259 542 G C -2.703 172.241 174.900 0.073 0.000 1.169 542 G CA -0.428 44.717 45.100 0.075 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 -0.316 177.023 177.300 0.064 0.000 1.428 543 P CA 1.081 64.216 63.100 0.057 0.000 0.995 543 P CB 0.317 32.048 31.700 0.051 0.000 1.286 544 S N 3.426 119.166 115.700 0.066 0.000 2.680 544 S HA 0.648 5.117 4.470 -0.001 0.000 0.284 544 S C -0.804 173.848 174.600 0.088 0.000 1.055 544 S CA -0.958 57.286 58.200 0.073 0.000 0.849 544 S CB 0.312 63.560 63.200 0.079 0.000 1.068 544 S HN 0.420 nan 8.310 nan 0.000 0.453 545 I N -1.427 119.202 120.570 0.098 0.000 3.074 545 I HA 0.867 5.037 4.170 -0.001 0.000 0.310 545 I C -0.561 175.663 176.117 0.179 0.000 1.153 545 I CA -0.793 60.592 61.300 0.142 0.000 0.993 545 I CB 2.126 40.194 38.000 0.113 0.000 1.237 545 I HN 0.681 nan 8.210 nan 0.000 0.443 546 S N 3.542 119.399 115.700 0.262 0.000 2.399 546 S HA 0.467 4.936 4.470 -0.001 0.000 0.301 546 S C -1.678 173.125 174.600 0.339 0.000 1.093 546 S CA -1.391 56.957 58.200 0.246 0.000 1.077 546 S CB 0.594 63.934 63.200 0.235 0.000 0.980 546 S HN 0.585 nan 8.310 nan 0.000 0.494 547 P HA -0.082 nan 4.420 nan 0.000 0.216 547 P C 0.062 177.511 177.300 0.248 0.000 1.157 547 P CA 0.917 64.183 63.100 0.276 0.000 0.880 547 P CB -0.002 31.760 31.700 0.104 0.000 0.791 548 S N 1.024 116.769 115.700 0.075 0.000 2.481 548 S HA 0.041 4.510 4.470 -0.001 0.000 0.282 548 S C 0.519 174.992 174.600 -0.211 0.000 1.243 548 S CA -0.308 57.840 58.200 -0.088 0.000 1.078 548 S CB -0.701 62.444 63.200 -0.092 0.000 0.916 548 S HN 0.297 nan 8.310 nan 0.000 0.495 549 H N 1.373 120.192 119.070 -0.419 0.000 2.546 549 H HA 0.335 4.891 4.556 -0.001 0.000 0.365 549 H C 0.976 176.200 175.328 -0.173 0.000 1.220 549 H CA -0.230 55.450 56.048 -0.613 0.000 1.386 549 H CB 0.524 29.763 29.762 -0.872 0.000 1.510 549 H HN 0.547 nan 8.280 nan 0.000 0.591 550 S N 0.455 116.185 115.700 0.049 0.000 2.475 550 S HA 0.039 4.508 4.470 -0.001 0.000 0.224 550 S C 0.722 175.432 174.600 0.184 0.000 1.042 550 S CA -0.068 58.233 58.200 0.168 0.000 0.935 550 S CB 0.397 63.908 63.200 0.518 0.000 0.801 550 S HN 0.736 nan 8.310 nan 0.000 0.509 551 Q N 0.171 120.111 119.800 0.234 0.000 2.456 551 Q HA 0.580 4.920 4.340 -0.001 0.000 0.283 551 Q C -1.265 174.863 176.000 0.215 0.000 1.084 551 Q CA -0.829 55.097 55.803 0.205 0.000 0.801 551 Q CB 1.825 30.656 28.738 0.154 0.000 1.434 551 Q HN 0.300 nan 8.270 nan 0.000 0.419 552 R N 3.525 124.084 120.500 0.098 0.000 2.593 552 R HA 0.313 4.653 4.340 -0.001 0.000 0.258 552 R C -1.106 175.132 176.300 -0.104 0.000 1.410 552 R CA -0.148 55.898 56.100 -0.089 0.000 1.537 552 R CB 0.201 30.482 30.300 -0.031 0.000 1.362 552 R HN 0.636 nan 8.270 nan 0.000 0.734 553 I N 2.433 122.977 120.570 -0.044 0.000 2.792 553 I HA -0.001 4.168 4.170 -0.001 0.000 0.284 553 I C 0.791 176.899 176.117 -0.014 0.000 1.166 553 I CA 0.400 61.693 61.300 -0.012 0.000 1.375 553 I CB 0.552 38.582 38.000 0.049 0.000 1.421 553 I HN 0.399 nan 8.210 nan 0.000 0.544 554 A N 5.023 127.800 122.820 -0.073 0.000 2.468 554 A HA 0.718 5.038 4.320 -0.001 0.000 0.277 554 A C 1.158 178.604 177.584 -0.229 0.000 1.203 554 A CA -0.197 51.794 52.037 -0.076 0.000 0.932 554 A CB 0.345 19.291 19.000 -0.091 0.000 1.438 554 A HN 0.708 nan 8.150 nan 0.000 0.468 555 G N -0.375 108.296 108.800 -0.215 0.000 3.279 555 G HA2 0.320 4.280 3.960 -0.001 0.000 0.230 555 G HA3 0.320 4.280 3.960 -0.001 0.000 0.230 555 G C 0.341 175.131 174.900 -0.183 0.000 1.230 555 G CA 0.794 45.712 45.100 -0.302 0.000 0.891 555 G HN 0.494 nan 8.290 nan 0.000 0.518 556 S N -0.066 115.546 115.700 -0.147 0.000 2.554 556 S HA 0.128 4.598 4.470 -0.001 0.000 0.226 556 S C 0.906 175.447 174.600 -0.099 0.000 0.980 556 S CA -0.226 57.914 58.200 -0.099 0.000 0.939 556 S CB 0.441 63.600 63.200 -0.069 0.000 0.832 556 S HN 0.243 nan 8.310 nan 0.000 0.486 557 Q N 1.646 121.365 119.800 -0.135 0.000 3.247 557 Q HA 0.326 4.665 4.340 -0.001 0.000 0.326 557 Q C 0.253 176.190 176.000 -0.105 0.000 1.402 557 Q CA -0.142 55.595 55.803 -0.110 0.000 0.994 557 Q CB -0.665 28.001 28.738 -0.121 0.000 1.647 557 Q HN 0.481 nan 8.270 nan 0.000 0.523 558 L N 0.088 121.260 121.223 -0.084 0.000 3.905 558 L HA -0.264 4.076 4.340 -0.001 0.000 0.437 558 L C 0.444 177.261 176.870 -0.088 0.000 1.152 558 L CA 0.529 55.326 54.840 -0.073 0.000 0.935 558 L CB -1.551 40.475 42.059 -0.056 0.000 1.841 558 L HN 0.251 nan 8.230 nan 0.000 0.998 559 S N -0.563 115.062 115.700 -0.124 0.000 3.517 559 S HA 0.208 4.678 4.470 -0.001 0.000 0.284 559 S C 1.557 176.097 174.600 -0.099 0.000 1.260 559 S CA 0.327 58.444 58.200 -0.137 0.000 0.975 559 S CB 0.577 63.639 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 -0.072 0.000 2.412 560 S HA -0.199 4.271 4.470 -0.001 0.000 0.246 560 S C 0.829 175.399 174.600 -0.051 0.000 1.073 560 S CA 1.569 59.737 58.200 -0.054 0.000 1.186 560 S CB -0.179 62.994 63.200 -0.044 0.000 1.084 560 S HN 0.830 nan 8.310 nan 0.000 0.434 561 R N -0.156 120.314 120.500 -0.051 0.000 2.837 561 R HA 0.397 4.737 4.340 -0.001 0.000 0.245 561 R C -1.597 174.673 176.300 -0.049 0.000 1.712 561 R CA -0.026 56.048 56.100 -0.043 0.000 1.539 561 R CB 0.558 30.840 30.300 -0.030 0.000 1.490 561 R HN 0.197 nan 8.270 nan 0.000 0.667 562 L N 1.097 122.282 121.223 -0.063 0.000 2.346 562 L HA 0.387 4.727 4.340 -0.001 0.000 0.274 562 L C 1.013 177.842 176.870 -0.068 0.000 1.007 562 L CA -0.465 54.332 54.840 -0.071 0.000 0.818 562 L CB 2.599 44.627 42.059 -0.052 0.000 1.284 562 L HN 0.449 nan 8.230 nan 0.000 0.424 563 Q N 2.048 121.769 119.800 -0.133 0.000 2.042 563 Q HA 0.005 4.345 4.340 -0.001 0.000 0.194 563 Q C -0.870 175.163 176.000 0.055 0.000 0.978 563 Q CA 1.036 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 -0.592 119.787 120.300 0.131 0.000 2.326 564 Y HA 0.509 5.059 4.550 -0.001 0.000 0.331 564 Y C -1.039 174.993 175.900 0.220 0.000 0.962 564 Y CA -1.762 56.435 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 2.441 122.473 119.950 0.138 0.000 2.532 565 F HA 0.847 5.374 4.527 -0.001 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 3.075 111.542 108.800 -0.554 0.000 2.192 566 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.193 566 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.193 566 G C 0.614 175.402 174.900 -0.186 0.000 0.999 566 G CA 0.274 45.035 45.100 -0.565 0.000 0.659 566 G HN 0.763 nan 8.290 nan 0.000 0.503 567 Q N 0.129 119.898 119.800 -0.051 0.000 2.084 567 Q HA 0.068 4.407 4.340 -0.001 0.000 0.215 567 Q C 1.571 177.549 176.000 -0.037 0.000 1.020 567 Q CA 2.429 58.234 55.803 0.004 0.000 0.887 567 Q CB -0.241 28.539 28.738 0.069 0.000 0.975 567 Q HN 1.552 nan 8.270 nan 0.000 0.413 568 A N -0.751 122.036 122.820 -0.054 0.000 2.532 568 A HA 0.771 5.091 4.320 -0.001 0.000 0.290 568 A C -1.634 175.911 177.584 -0.066 0.000 1.143 568 A CA -0.820 51.184 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 0.303 nan 8.150 nan 0.000 0.414 569 L N -3.015 118.181 121.223 -0.045 0.000 2.700 569 L HA 0.815 5.155 4.340 -0.001 0.000 0.255 569 L C -0.817 176.049 176.870 -0.006 0.000 0.933 569 L CA -0.361 54.461 54.840 -0.031 0.000 0.920 569 L CB 1.285 43.312 42.059 -0.052 0.000 1.472 569 L HN 0.511 nan 8.230 nan 0.000 0.426 570 S N 0.015 115.723 115.700 0.012 0.000 2.572 570 S HA 0.962 5.431 4.470 -0.001 0.000 0.274 570 S C -0.336 174.285 174.600 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 -0.136 108.684 108.800 0.033 0.000 2.727 571 G HA2 0.705 4.665 3.960 -0.001 0.000 0.289 571 G HA3 0.705 4.665 3.960 -0.001 0.000 0.289 571 G C 0.354 175.271 174.900 0.028 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 -1.580 107.235 108.800 0.024 0.000 2.367 572 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.181 572 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.181 572 G C 0.077 174.983 174.900 0.011 0.000 1.000 572 G CA 0.217 45.328 45.100 0.018 0.000 0.693 572 G HN 0.738 nan 8.290 nan 0.000 0.480 573 Q N 0.798 120.605 119.800 0.012 0.000 2.274 573 Q HA 0.568 4.908 4.340 -0.001 0.000 0.260 573 Q C -0.911 175.087 176.000 -0.003 0.000 0.974 573 Q CA -0.554 55.252 55.803 0.004 0.000 0.876 573 Q CB 2.050 30.794 28.738 0.009 0.000 1.297 573 Q HN 0.247 nan 8.270 nan 0.000 0.446 574 D N 1.840 122.231 120.400 -0.015 0.000 2.380 574 D HA 0.174 4.814 4.640 -0.001 0.000 0.230 574 D C -0.103 176.172 176.300 -0.041 0.000 1.154 574 D CA -0.358 53.623 54.000 -0.033 0.000 0.859 574 D CB 0.542 41.322 40.800 -0.034 0.000 1.045 574 D HN 0.491 nan 8.370 nan 0.000 0.495 575 L N 1.957 123.146 121.223 -0.058 0.000 2.500 575 L HA 0.290 4.630 4.340 -0.001 0.000 0.219 575 L C 1.901 178.687 176.870 -0.140 0.000 1.057 575 L CA 0.628 55.434 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 -3.489 110.896 114.554 -0.280 0.000 3.118 576 T HA 0.049 4.399 4.350 -0.001 0.000 0.260 576 T C 1.048 175.545 174.700 -0.339 0.000 1.139 576 T CA 0.762 62.487 62.100 -0.625 0.000 1.085 576 T CB -0.461 67.811 68.868 -0.993 0.000 0.934 576 T HN 0.560 nan 8.240 nan 0.000 0.518 577 Q N 0.440 120.135 119.800 -0.175 0.000 2.305 577 Q HA -0.212 4.127 4.340 -0.001 0.000 0.203 577 Q C -0.556 175.399 176.000 -0.074 0.000 0.663 577 Q CA 1.206 56.955 55.803 -0.090 0.000 1.389 577 Q CB -2.013 26.695 28.738 -0.050 0.000 1.566 577 Q HN 0.967 nan 8.270 nan 0.000 0.755 578 D N -0.856 119.478 120.400 -0.110 0.000 2.348 578 D HA 0.344 4.984 4.640 -0.001 0.000 0.253 578 D C 1.474 177.743 176.300 -0.051 0.000 1.161 578 D CA 0.448 54.410 54.000 -0.064 0.000 0.876 578 D CB 0.919 41.678 40.800 -0.069 0.000 1.160 578 D HN 0.104 nan 8.370 nan 0.000 0.459 579 G N 2.829 111.612 108.800 -0.029 0.000 2.816 579 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.229 579 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.229 579 G C 0.599 175.484 174.900 -0.025 0.000 1.158 579 G CA 1.087 46.173 45.100 -0.023 0.000 0.761 579 G HN 0.546 nan 8.290 nan 0.000 0.636 580 L N 0.318 121.526 121.223 -0.023 0.000 2.454 580 L HA 0.532 4.871 4.340 -0.001 0.000 0.256 580 L C 1.096 177.953 176.870 -0.022 0.000 1.136 580 L CA -0.784 54.046 54.840 -0.017 0.000 0.804 580 L CB 1.349 43.404 42.059 -0.008 0.000 1.181 580 L HN 0.440 nan 8.230 nan 0.000 0.469 581 V N -0.331 119.576 119.914 -0.011 0.000 3.332 581 V HA 0.258 4.378 4.120 -0.001 0.000 0.305 581 V C -0.319 175.768 176.094 -0.012 0.000 1.114 581 V CA -0.403 61.891 62.300 -0.009 0.000 1.194 581 V CB 0.243 32.068 31.823 0.003 0.000 1.027 581 V HN 0.767 nan 8.190 nan 0.000 0.492 582 D N 0.851 121.247 120.400 -0.006 0.000 2.477 582 D HA 0.708 5.348 4.640 -0.001 0.000 0.234 582 D C -1.110 175.203 176.300 0.022 0.000 1.048 582 D CA -0.347 53.653 54.000 0.000 0.000 0.959 582 D CB 2.310 43.102 40.800 -0.013 0.000 1.408 582 D HN 0.671 nan 8.370 nan 0.000 0.496 583 L N 0.481 121.725 121.223 0.035 0.000 2.386 583 L HA 0.741 5.080 4.340 -0.001 0.000 0.271 583 L C -1.455 175.454 176.870 0.065 0.000 0.993 583 L CA -0.624 54.244 54.840 0.047 0.000 0.819 583 L CB 1.720 43.807 42.059 0.047 0.000 1.294 583 L HN 0.461 nan 8.230 nan 0.000 0.414 584 A N 4.743 127.603 122.820 0.066 0.000 2.319 584 A HA 0.779 5.099 4.320 -0.001 0.000 0.310 584 A C -1.460 176.158 177.584 0.056 0.000 1.152 584 A CA -0.501 51.587 52.037 0.085 0.000 0.783 584 A CB 1.267 20.326 19.000 0.098 0.000 1.184 584 A HN 0.510 nan 8.150 nan 0.000 0.474 585 V N 2.569 122.522 119.914 0.066 0.000 2.444 585 V HA 0.622 4.742 4.120 -0.001 0.000 0.294 585 V C 0.894 177.009 176.094 0.035 0.000 1.022 585 V CA -0.291 62.008 62.300 -0.001 0.000 0.850 585 V CB 1.590 33.373 31.823 -0.066 0.000 0.992 585 V HN 1.114 nan 8.190 nan 0.000 0.426 586 G N 3.141 111.935 108.800 -0.010 0.000 2.444 586 G HA2 0.697 4.656 3.960 -0.001 0.000 0.268 586 G HA3 0.697 4.656 3.960 -0.001 0.000 0.268 586 G C -0.299 174.631 174.900 0.049 0.000 1.203 586 G CA 0.318 45.429 45.100 0.017 0.000 0.835 586 G HN 1.194 nan 8.290 nan 0.000 0.543 587 A N 1.765 124.654 122.820 0.115 0.000 2.594 587 A HA 0.745 5.065 4.320 -0.001 0.000 0.291 587 A C 0.069 177.718 177.584 0.108 0.000 1.105 587 A CA -0.892 51.239 52.037 0.156 0.000 0.694 587 A CB 1.161 20.327 19.000 0.277 0.000 1.291 587 A HN 0.795 nan 8.150 nan 0.000 0.410 588 R N 0.322 120.832 120.500 0.016 0.000 2.483 588 R HA 0.358 4.697 4.340 -0.001 0.000 0.329 588 R C 1.270 177.600 176.300 0.049 0.000 0.961 588 R CA 1.975 58.059 56.100 -0.026 0.000 1.041 588 R CB -0.462 29.641 30.300 -0.328 0.000 0.930 588 R HN 1.997 nan 8.270 nan 0.000 0.413 589 G N 2.786 111.692 108.800 0.176 0.000 2.490 589 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.214 589 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.214 589 G C -0.269 174.826 174.900 0.326 0.000 1.151 589 G CA 0.357 45.578 45.100 0.201 0.000 0.684 589 G HN 0.692 nan 8.290 nan 0.000 0.518 590 Q N -0.738 119.239 119.800 0.294 0.000 2.544 590 Q HA 0.800 5.139 4.340 -0.001 0.000 0.291 590 Q C -1.576 174.621 176.000 0.327 0.000 1.068 590 Q CA -0.762 55.249 55.803 0.347 0.000 0.785 590 Q CB 2.858 31.701 28.738 0.174 0.000 1.481 590 Q HN 1.067 nan 8.270 nan 0.000 0.430 591 V N 1.816 121.945 119.914 0.358 0.000 2.686 591 V HA 0.535 4.655 4.120 -0.001 0.000 0.306 591 V C -1.717 174.533 176.094 0.260 0.000 1.065 591 V CA -0.643 61.818 62.300 0.269 0.000 0.894 591 V CB 1.845 33.798 31.823 0.217 0.000 1.004 591 V HN 0.769 nan 8.190 nan 0.000 0.424 592 L N 6.254 127.601 121.223 0.207 0.000 2.334 592 L HA 0.661 5.001 4.340 -0.001 0.000 0.270 592 L C -0.443 176.518 176.870 0.150 0.000 1.018 592 L CA -0.315 54.616 54.840 0.152 0.000 0.811 592 L CB 1.758 43.906 42.059 0.149 0.000 1.271 592 L HN 0.547 nan 8.230 nan 0.000 0.443 593 L N 2.696 123.982 121.223 0.106 0.000 2.343 593 L HA 0.452 4.792 4.340 -0.001 0.000 0.278 593 L C -1.387 175.527 176.870 0.072 0.000 0.996 593 L CA -0.579 54.323 54.840 0.104 0.000 0.831 593 L CB 1.579 43.714 42.059 0.126 0.000 1.232 593 L HN 0.301 nan 8.230 nan 0.000 0.413 594 L N 4.760 126.026 121.223 0.071 0.000 2.276 594 L HA 0.461 4.801 4.340 -0.001 0.000 0.286 594 L C 0.388 177.279 176.870 0.034 0.000 1.024 594 L CA -0.047 54.826 54.840 0.055 0.000 0.826 594 L CB 1.147 43.249 42.059 0.071 0.000 1.211 594 L HN 0.460 nan 8.230 nan 0.000 0.422 595 R N 0.774 121.285 120.500 0.018 0.000 2.649 595 R HA 0.589 4.929 4.340 -0.001 0.000 0.270 595 R C -0.102 176.202 176.300 0.007 0.000 1.105 595 R CA -0.501 55.598 56.100 -0.002 0.000 1.193 595 R CB 0.522 30.809 30.300 -0.022 0.000 1.120 595 R HN 0.621 nan 8.270 nan 0.000 0.561 596 T N -0.103 114.451 114.554 -0.000 0.000 2.772 596 T HA 0.354 4.703 4.350 -0.001 0.000 0.288 596 T C 0.061 174.765 174.700 0.008 0.000 0.994 596 T CA -1.180 60.922 62.100 0.002 0.000 0.951 596 T CB 1.099 69.964 68.868 -0.006 0.000 0.933 596 T HN 0.232 nan 8.240 nan 0.000 0.447 597 R N 3.044 123.557 120.500 0.022 0.000 2.543 597 R HA 0.271 4.611 4.340 -0.001 0.000 0.277 597 R C -2.703 173.624 176.300 0.045 0.000 1.074 597 R CA -2.584 53.538 56.100 0.036 0.000 1.076 597 R CB -0.450 29.881 30.300 0.052 0.000 0.993 597 R HN 0.470 nan 8.270 nan 0.000 0.459 598 P HA -0.033 nan 4.420 nan 0.000 0.264 598 P C -0.273 177.080 177.300 0.088 0.000 1.236 598 P CA 0.098 63.228 63.100 0.049 0.000 0.811 598 P CB 0.249 31.967 31.700 0.031 0.000 0.840 599 V N 3.325 123.321 119.914 0.136 0.000 2.304 599 V HA 0.472 4.592 4.120 -0.001 0.000 0.269 599 V C -0.252 175.994 176.094 0.254 0.000 1.036 599 V CA -1.034 61.413 62.300 0.246 0.000 0.840 599 V CB 0.115 32.168 31.823 0.383 0.000 1.036 599 V HN 0.155 nan 8.190 nan 0.000 0.466 600 L N 3.790 125.108 121.223 0.159 0.000 2.334 600 L HA 1.020 5.359 4.340 -0.001 0.000 0.275 600 L C -0.350 176.648 176.870 0.214 0.000 1.036 600 L CA -1.046 53.798 54.840 0.007 0.000 0.807 600 L CB 0.871 42.890 42.059 -0.066 0.000 1.231 600 L HN 0.857 nan 8.230 nan 0.000 0.438 601 W N 1.276 122.614 121.300 0.064 0.000 2.975 601 W HA 0.900 5.560 4.660 -0.001 0.000 0.342 601 W C -1.566 174.972 176.519 0.031 0.000 1.168 601 W CA -1.435 55.957 57.345 0.078 0.000 1.141 601 W CB 1.086 30.595 29.460 0.082 0.000 1.445 601 W HN 0.544 nan 8.180 nan 0.000 0.560 602 V N 1.519 121.584 119.914 0.251 0.000 2.914 602 V HA 0.945 5.065 4.120 -0.001 0.000 0.314 602 V C -0.241 175.797 176.094 -0.093 0.000 1.084 602 V CA -0.607 61.669 62.300 -0.040 0.000 0.963 602 V CB 1.804 33.594 31.823 -0.054 0.000 1.025 602 V HN 1.100 nan 8.190 nan 0.000 0.432 603 G N 2.291 110.777 108.800 -0.524 0.000 2.417 603 G HA2 0.667 4.627 3.960 -0.001 0.000 0.334 603 G HA3 0.667 4.627 3.960 -0.001 0.000 0.334 603 G C -1.366 173.257 174.900 -0.460 0.000 1.150 603 G CA -0.393 44.380 45.100 -0.545 0.000 0.923 603 G HN 1.168 nan 8.290 nan 0.000 0.485 604 V N 0.359 120.117 119.914 -0.261 0.000 3.007 604 V HA 0.862 4.982 4.120 -0.001 0.000 0.311 604 V C -0.517 175.526 176.094 -0.085 0.000 1.120 604 V CA -0.370 61.830 62.300 -0.166 0.000 0.980 604 V CB 2.450 34.045 31.823 -0.381 0.000 1.033 604 V HN 1.349 nan 8.190 nan 0.000 0.429 605 S N 6.273 121.959 115.700 -0.024 0.000 2.538 605 S HA 0.842 5.312 4.470 -0.001 0.000 0.288 605 S C -0.957 173.605 174.600 -0.063 0.000 1.108 605 S CA -0.798 57.373 58.200 -0.047 0.000 0.971 605 S CB 1.723 64.897 63.200 -0.043 0.000 1.041 605 S HN 0.740 nan 8.310 nan 0.000 0.483 606 M N 2.312 121.865 119.600 -0.079 0.000 2.530 606 M HA 0.577 5.056 4.480 -0.001 0.000 0.307 606 M C -0.725 175.463 176.300 -0.187 0.000 1.161 606 M CA -0.304 54.917 55.300 -0.130 0.000 0.903 606 M CB 2.548 35.082 32.600 -0.110 0.000 1.711 606 M HN 0.930 nan 8.290 nan 0.000 0.451 607 Q N 1.310 120.920 119.800 -0.316 0.000 2.578 607 Q HA 0.534 4.873 4.340 -0.001 0.000 0.284 607 Q C -2.101 173.626 176.000 -0.455 0.000 0.960 607 Q CA -0.588 55.043 55.803 -0.286 0.000 0.809 607 Q CB 2.320 30.992 28.738 -0.111 0.000 1.462 607 Q HN 0.644 nan 8.270 nan 0.000 0.392 608 F N 3.049 123.018 119.950 0.030 0.000 2.366 608 F HA 0.399 4.926 4.527 -0.001 0.000 0.366 608 F C 1.074 176.878 175.800 0.007 0.000 1.096 608 F CA -0.572 57.441 58.000 0.022 0.000 1.060 608 F CB 0.641 39.643 39.000 0.004 0.000 1.282 608 F HN 0.625 nan 8.300 nan 0.000 0.450 609 I N 2.532 123.190 120.570 0.146 0.000 2.093 609 I HA -0.237 3.933 4.170 -0.001 0.000 0.239 609 I C -1.081 175.083 176.117 0.078 0.000 1.026 609 I CA 1.173 62.521 61.300 0.080 0.000 1.295 609 I CB -1.022 37.011 38.000 0.055 0.000 1.007 609 I HN 0.312 nan 8.210 nan 0.000 0.401 610 P HA 0.041 nan 4.420 nan 0.000 0.268 610 P C 0.261 177.591 177.300 0.051 0.000 1.282 610 P CA 0.338 63.463 63.100 0.042 0.000 0.880 610 P CB 0.833 32.540 31.700 0.012 0.000 0.971 611 A N 4.871 127.720 122.820 0.048 0.000 1.863 611 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 611 A C 1.091 178.683 177.584 0.012 0.000 1.233 611 A CA 1.844 53.916 52.037 0.058 0.000 0.655 611 A CB -0.722 18.302 19.000 0.039 0.000 0.839 611 A HN 0.621 nan 8.150 nan 0.000 0.454 612 E N -2.072 118.107 120.200 -0.035 0.000 2.538 612 E HA 0.717 5.067 4.350 -0.001 0.000 0.232 612 E C -0.960 175.554 176.600 -0.144 0.000 0.830 612 E CA -1.033 55.303 56.400 -0.106 0.000 0.916 612 E CB 0.793 30.460 29.700 -0.056 0.000 1.567 612 E HN 0.257 nan 8.360 nan 0.000 0.389 613 I N 1.318 121.784 120.570 -0.173 0.000 2.404 613 I HA 0.238 4.408 4.170 -0.001 0.000 0.293 613 I C -1.965 174.128 176.117 -0.039 0.000 0.992 613 I CA -2.410 58.811 61.300 -0.132 0.000 1.149 613 I CB 2.090 39.965 38.000 -0.209 0.000 1.315 613 I HN 0.407 nan 8.210 nan 0.000 0.446 614 P HA 0.022 nan 4.420 nan 0.000 0.249 614 P C 0.636 177.927 177.300 -0.014 0.000 1.241 614 P CA 0.164 63.253 63.100 -0.018 0.000 0.781 614 P CB 0.106 31.800 31.700 -0.010 0.000 1.088 615 R N -1.636 118.875 120.500 0.018 0.000 3.922 615 R HA -0.191 4.149 4.340 -0.001 0.000 0.447 615 R C 1.129 177.491 176.300 0.103 0.000 1.035 615 R CA 1.004 57.112 56.100 0.013 0.000 1.289 615 R CB -2.205 27.994 30.300 -0.169 0.000 1.906 615 R HN 0.108 nan 8.270 nan 0.000 0.540 616 S N -0.309 115.438 115.700 0.078 0.000 2.345 616 S HA 0.016 4.486 4.470 -0.001 0.000 0.220 616 S C 1.176 175.833 174.600 0.096 0.000 1.031 616 S CA 1.228 59.469 58.200 0.068 0.000 0.996 616 S CB 0.121 63.343 63.200 0.037 0.000 0.882 616 S HN 0.556 nan 8.310 nan 0.000 0.445 617 A N 0.226 123.108 122.820 0.103 0.000 3.258 617 A HA 0.525 4.845 4.320 -0.001 0.000 0.275 617 A C 0.508 178.179 177.584 0.146 0.000 1.452 617 A CA -0.510 51.582 52.037 0.092 0.000 1.120 617 A CB -0.603 18.426 19.000 0.048 0.000 1.107 617 A HN 0.433 nan 8.150 nan 0.000 0.651 618 F N -0.140 119.829 119.950 0.033 0.000 2.394 618 F HA 0.223 4.749 4.527 -0.000 0.000 0.269 618 F C 1.687 177.503 175.800 0.027 0.000 1.012 618 F CA 1.262 59.293 58.000 0.051 0.000 1.138 618 F CB 0.395 39.427 39.000 0.053 0.000 1.140 618 F HN 0.329 nan 8.300 nan 0.000 0.623 619 E N -0.073 120.255 120.200 0.214 0.000 2.474 619 E HA 0.069 4.419 4.350 -0.001 0.000 0.195 619 E C 0.650 177.270 176.600 0.033 0.000 1.039 619 E CA 0.594 57.029 56.400 0.058 0.000 0.881 619 E CB -0.002 29.831 29.700 0.222 0.000 0.970 619 E HN 0.631 nan 8.360 nan 0.000 0.486 620 c N 0.177 118.808 118.600 0.052 0.000 4.268 620 c HA -0.214 4.355 4.570 -0.001 0.000 0.299 620 c C 0.746 174.851 174.090 0.026 0.000 1.429 620 c CA -0.006 56.339 56.329 0.027 0.000 2.018 620 c CB -3.119 39.387 42.510 -0.006 0.000 1.277 620 c HN 0.432 nan 8.230 nan 0.000 0.767 621 R N 0.941 121.466 120.500 0.042 0.000 2.905 621 R HA 0.288 4.628 4.340 -0.001 0.000 0.273 621 R C 0.519 176.833 176.300 0.023 0.000 1.033 621 R CA 0.532 56.651 56.100 0.032 0.000 1.182 621 R CB 0.353 30.675 30.300 0.037 0.000 1.097 621 R HN 0.680 nan 8.270 nan 0.000 0.504 622 E N 1.979 122.190 120.200 0.018 0.000 2.259 622 E HA 0.066 4.415 4.350 -0.001 0.000 0.281 622 E C -0.835 175.771 176.600 0.009 0.000 1.027 622 E CA 0.378 56.786 56.400 0.012 0.000 0.838 622 E CB 0.625 30.331 29.700 0.010 0.000 1.066 622 E HN 0.606 nan 8.360 nan 0.000 0.401 623 Q N 1.285 121.089 119.800 0.007 0.000 0.606 623 Q HA -0.282 4.058 4.340 -0.001 0.000 0.288 623 Q C 0.603 176.606 176.000 0.005 0.000 1.080 623 Q CA 0.346 56.151 55.803 0.004 0.000 0.416 623 Q CB -1.935 26.805 28.738 0.004 0.000 5.310 623 Q HN 1.204 nan 8.270 nan 0.000 0.337 624 V N -4.263 115.653 119.914 0.004 0.000 0.690 624 V HA -0.350 3.770 4.120 -0.001 0.000 0.092 624 V C 1.136 177.233 176.094 0.004 0.000 0.775 624 V CA 2.874 65.177 62.300 0.004 0.000 3.098 624 V CB -2.536 29.290 31.823 0.005 0.000 0.186 624 V HN 2.222 nan 8.190 nan 0.000 0.077 625 V N -0.349 119.568 119.914 0.005 0.000 2.740 625 V HA 0.569 4.689 4.120 -0.001 0.000 0.303 625 V C 0.840 176.937 176.094 0.005 0.000 1.054 625 V CA 0.558 62.861 62.300 0.005 0.000 1.106 625 V CB 0.848 32.675 31.823 0.007 0.000 0.957 625 V HN 1.575 nan 8.190 nan 0.000 0.486 626 S N 4.037 119.739 115.700 0.003 0.000 2.571 626 S HA 0.049 4.519 4.470 -0.001 0.000 0.297 626 S C 0.366 174.970 174.600 0.006 0.000 1.234 626 S CA 0.225 58.427 58.200 0.003 0.000 1.120 626 S CB -0.567 62.633 63.200 0.000 0.000 0.923 626 S HN 0.905 nan 8.310 nan 0.000 0.504 627 E N 3.580 123.785 120.200 0.008 0.000 1.932 627 E HA 0.043 4.393 4.350 -0.001 0.000 0.259 627 E C -0.225 176.380 176.600 0.010 0.000 1.099 627 E CA -0.187 56.219 56.400 0.010 0.000 0.970 627 E CB 0.305 30.013 29.700 0.012 0.000 1.143 627 E HN 0.611 nan 8.360 nan 0.000 0.441 628 Q N 1.551 121.355 119.800 0.007 0.000 2.244 628 Q HA 0.030 4.369 4.340 -0.001 0.000 0.276 628 Q C 0.128 176.131 176.000 0.005 0.000 1.122 628 Q CA 0.356 56.161 55.803 0.004 0.000 0.920 628 Q CB 0.508 29.248 28.738 0.003 0.000 1.186 628 Q HN 0.281 nan 8.270 nan 0.000 0.393 629 T N 2.366 116.921 114.554 0.003 0.000 2.855 629 T HA 0.129 4.478 4.350 -0.001 0.000 0.314 629 T C -0.337 174.362 174.700 -0.002 0.000 1.077 629 T CA -0.164 61.937 62.100 0.002 0.000 1.095 629 T CB 0.304 69.171 68.868 -0.002 0.000 0.987 629 T HN 0.304 nan 8.240 nan 0.000 0.546 630 L N 4.642 125.868 121.223 0.004 0.000 2.337 630 L HA 0.496 4.835 4.340 -0.001 0.000 0.269 630 L C -0.719 176.161 176.870 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 4.414 124.334 119.914 0.010 0.000 2.607 631 V HA 0.384 4.504 4.120 -0.001 0.000 0.289 631 V C 0.166 176.316 176.094 0.093 0.000 1.053 631 V CA -0.494 61.821 62.300 0.025 0.000 0.996 631 V CB 1.469 33.272 31.823 -0.032 0.000 0.995 631 V HN 0.676 nan 8.190 nan 0.000 0.476 632 Q N 1.834 121.709 119.800 0.125 0.000 2.282 632 Q HA 0.518 4.857 4.340 -0.001 0.000 0.260 632 Q C -0.683 175.464 176.000 0.244 0.000 0.964 632 Q CA -0.254 55.645 55.803 0.159 0.000 0.880 632 Q CB 2.083 30.877 28.738 0.094 0.000 1.286 632 Q HN 0.727 nan 8.270 nan 0.000 0.445 633 S N 2.743 118.607 115.700 0.272 0.000 2.596 633 S HA 0.324 4.793 4.470 -0.001 0.000 0.318 633 S C -1.105 173.569 174.600 0.124 0.000 1.097 633 S CA -0.700 57.627 58.200 0.212 0.000 1.080 633 S CB 0.605 64.017 63.200 0.354 0.000 0.991 633 S HN 0.596 nan 8.310 nan 0.000 0.471 634 N N 5.204 123.897 118.700 -0.012 0.000 2.424 634 N HA 0.488 5.227 4.740 -0.001 0.000 0.271 634 N C -1.047 174.441 175.510 -0.038 0.000 0.985 634 N CA -0.356 52.681 53.050 -0.023 0.000 0.921 634 N CB 0.707 39.160 38.487 -0.058 0.000 1.149 634 N HN 0.676 nan 8.380 nan 0.000 0.492 635 I N 1.730 122.321 120.570 0.034 0.000 2.603 635 I HA 0.488 4.657 4.170 -0.001 0.000 0.300 635 I C -0.362 175.773 176.117 0.029 0.000 1.017 635 I CA -0.809 60.513 61.300 0.036 0.000 1.098 635 I CB 1.903 39.972 38.000 0.114 0.000 1.279 635 I HN 0.343 nan 8.210 nan 0.000 0.437 636 c N 5.152 123.762 118.600 0.017 0.000 2.797 636 c HA 0.714 5.284 4.570 -0.001 0.000 0.306 636 c C -0.515 173.627 174.090 0.087 0.000 1.207 636 c CA -0.812 55.537 56.329 0.035 0.000 1.507 636 c CB 1.718 44.214 42.510 -0.024 0.000 2.028 636 c HN 0.551 nan 8.230 nan 0.000 0.475 637 L N 2.776 124.083 121.223 0.139 0.000 2.438 637 L HA 0.671 5.011 4.340 -0.001 0.000 0.270 637 L C -1.189 175.804 176.870 0.205 0.000 0.972 637 L CA -0.491 54.413 54.840 0.108 0.000 0.831 637 L CB 1.496 43.538 42.059 -0.029 0.000 1.273 637 L HN 0.909 nan 8.230 nan 0.000 0.405 638 Y N 2.497 122.760 120.300 -0.062 0.000 2.519 638 Y HA 0.756 5.306 4.550 -0.001 0.000 0.336 638 Y C -1.027 174.844 175.900 -0.049 0.000 1.089 638 Y CA -1.376 56.699 58.100 -0.043 0.000 1.025 638 Y CB 1.247 39.684 38.460 -0.037 0.000 1.318 638 Y HN 0.420 nan 8.280 nan 0.000 0.452 639 I N 1.356 121.848 120.570 -0.130 0.000 2.412 639 I HA 0.555 4.725 4.170 -0.001 0.000 0.296 639 I C -0.628 175.393 176.117 -0.159 0.000 0.987 639 I CA -0.563 60.602 61.300 -0.224 0.000 1.180 639 I CB 2.082 39.987 38.000 -0.159 0.000 1.340 639 I HN 0.884 nan 8.210 nan 0.000 0.455 640 D N 3.870 124.130 120.400 -0.234 0.000 2.602 640 D HA 0.043 4.683 4.640 -0.001 0.000 0.284 640 D C 0.366 176.553 176.300 -0.189 0.000 1.065 640 D CA 0.091 54.017 54.000 -0.123 0.000 0.923 640 D CB 0.276 41.064 40.800 -0.021 0.000 1.373 640 D HN 0.490 nan 8.370 nan 0.000 0.492 641 K N 0.809 120.980 120.400 -0.381 0.000 2.276 641 K HA 0.305 4.624 4.320 -0.001 0.000 0.285 641 K C 1.091 177.398 176.600 -0.488 0.000 1.062 641 K CA -0.212 55.812 56.287 -0.438 0.000 0.918 641 K CB 0.972 33.096 32.500 -0.627 0.000 1.055 641 K HN 0.170 nan 8.250 nan 0.000 0.477 642 R N 0.841 121.184 120.500 -0.262 0.000 2.709 642 R HA -0.011 4.328 4.340 -0.001 0.000 0.200 642 R C 1.161 177.401 176.300 -0.101 0.000 0.974 642 R CA 0.509 56.500 56.100 -0.182 0.000 1.416 642 R CB -0.403 29.821 30.300 -0.127 0.000 1.709 642 R HN 0.517 nan 8.270 nan 0.000 0.546 643 S N 2.995 118.655 115.700 -0.067 0.000 2.414 643 S HA -0.372 4.097 4.470 -0.001 0.000 0.241 643 S C 1.851 176.441 174.600 -0.017 0.000 1.079 643 S CA 2.123 60.307 58.200 -0.026 0.000 1.087 643 S CB -0.574 62.626 63.200 0.001 0.000 0.927 643 S HN 0.669 nan 8.310 nan 0.000 0.456 644 K N 1.751 122.142 120.400 -0.015 0.000 2.007 644 K HA 0.023 4.343 4.320 -0.001 0.000 0.206 644 K C 1.597 178.188 176.600 -0.014 0.000 1.047 644 K CA 1.310 57.595 56.287 -0.004 0.000 0.937 644 K CB -0.530 31.977 32.500 0.011 0.000 0.718 644 K HN 0.237 nan 8.250 nan 0.000 0.438 645 N N 1.200 119.883 118.700 -0.027 0.000 2.453 645 N HA 0.055 4.795 4.740 -0.001 0.000 0.183 645 N C 0.415 175.909 175.510 -0.027 0.000 1.041 645 N CA 0.705 53.739 53.050 -0.027 0.000 0.900 645 N CB -0.466 37.998 38.487 -0.037 0.000 0.961 645 N HN 0.226 nan 8.380 nan 0.000 0.443 646 L N -1.066 120.139 121.223 -0.030 0.000 0.598 646 L HA -0.287 4.052 4.340 -0.001 0.000 0.356 646 L C 0.259 177.113 176.870 -0.027 0.000 1.008 646 L CA -0.091 54.734 54.840 -0.025 0.000 1.223 646 L CB -0.591 41.458 42.059 -0.017 0.000 0.045 646 L HN 0.065 nan 8.230 nan 0.000 0.093 647 L N 0.079 121.289 121.223 -0.022 0.000 2.456 647 L HA 0.426 4.765 4.340 -0.001 0.000 0.266 647 L C 1.259 178.118 176.870 -0.019 0.000 1.258 647 L CA 1.048 55.876 54.840 -0.020 0.000 0.823 647 L CB -0.186 41.864 42.059 -0.016 0.000 1.100 647 L HN 0.960 nan 8.230 nan 0.000 0.531 648 G N -0.023 108.767 108.800 -0.017 0.000 2.760 648 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.246 648 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.246 648 G C -0.354 174.535 174.900 -0.018 0.000 1.359 648 G CA -0.487 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 -0.006 115.684 115.700 -0.018 0.000 2.631 649 S HA 0.152 4.622 4.470 -0.001 0.000 0.311 649 S C 1.532 176.118 174.600 -0.023 0.000 1.254 649 S CA 1.831 60.018 58.200 -0.021 0.000 1.039 649 S CB 0.592 63.779 63.200 -0.021 0.000 0.753 649 S HN 1.892 nan 8.310 nan 0.000 0.494 650 R N 1.429 121.914 120.500 -0.026 0.000 1.354 650 R HA -0.258 4.082 4.340 -0.001 0.000 0.055 650 R C 0.993 177.278 176.300 -0.025 0.000 0.949 650 R CA 1.753 57.839 56.100 -0.025 0.000 1.971 650 R CB -1.812 28.476 30.300 -0.020 0.000 0.284 650 R HN 0.654 nan 8.270 nan 0.000 0.723 651 D N 0.194 120.578 120.400 -0.028 0.000 2.351 651 D HA -0.017 4.623 4.640 -0.001 0.000 0.216 651 D C 1.246 177.524 176.300 -0.036 0.000 0.968 651 D CA 1.392 55.369 54.000 -0.037 0.000 0.899 651 D CB 0.176 40.952 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 0.242 4.582 4.340 -0.001 0.000 0.181 652 L C 0.855 177.711 176.870 -0.022 0.000 1.369 652 L CA 0.015 54.841 54.840 -0.023 0.000 1.743 652 L CB -1.274 40.775 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 -0.023 0.000 2.348 653 Q HA 0.141 4.480 4.340 -0.001 0.000 0.331 653 Q C -1.079 174.905 176.000 -0.026 0.000 1.099 653 Q CA 0.818 56.606 55.803 -0.026 0.000 1.021 653 Q CB 0.241 28.961 28.738 -0.030 0.000 1.166 653 Q HN 0.548 nan 8.270 nan 0.000 0.393 654 S N 1.505 117.189 115.700 -0.026 0.000 2.354 654 S HA 0.194 4.664 4.470 -0.001 0.000 0.306 654 S C -0.937 173.650 174.600 -0.021 0.000 0.900 654 S CA -0.894 57.295 58.200 -0.019 0.000 0.921 654 S CB 0.605 63.801 63.200 -0.006 0.000 1.209 654 S HN 0.477 nan 8.310 nan 0.000 0.433 655 S N 1.691 117.377 115.700 -0.022 0.000 2.589 655 S HA 0.700 5.170 4.470 -0.001 0.000 0.265 655 S C 0.058 174.657 174.600 -0.002 0.000 1.342 655 S CA -0.367 57.818 58.200 -0.025 0.000 1.005 655 S CB 0.893 64.080 63.200 -0.021 0.000 0.909 655 S HN 0.938 nan 8.310 nan 0.000 0.555 656 V N 1.002 120.915 119.914 -0.001 0.000 3.087 656 V HA 0.480 4.600 4.120 -0.001 0.000 0.306 656 V C -0.371 175.747 176.094 0.039 0.000 1.187 656 V CA -1.031 61.294 62.300 0.041 0.000 0.999 656 V CB 2.551 34.419 31.823 0.075 0.000 1.049 656 V HN 1.004 nan 8.190 nan 0.000 0.431 657 T N 1.949 116.538 114.554 0.059 0.000 2.767 657 T HA 0.797 5.147 4.350 -0.001 0.000 0.284 657 T C -0.712 174.036 174.700 0.080 0.000 0.973 657 T CA -0.465 61.663 62.100 0.047 0.000 0.996 657 T CB 0.767 69.651 68.868 0.027 0.000 0.927 657 T HN 0.382 nan 8.240 nan 0.000 0.456 658 L N 2.672 123.928 121.223 0.055 0.000 2.317 658 L HA 0.585 4.925 4.340 -0.001 0.000 0.281 658 L C -0.533 176.338 176.870 0.002 0.000 1.024 658 L CA -0.781 54.094 54.840 0.059 0.000 0.810 658 L CB 1.449 43.529 42.059 0.036 0.000 1.240 658 L HN 0.675 nan 8.230 nan 0.000 0.427 659 D N 3.287 123.704 120.400 0.029 0.000 2.363 659 D HA 0.381 5.021 4.640 -0.001 0.000 0.258 659 D C -0.728 175.591 176.300 0.031 0.000 1.259 659 D CA -0.194 53.810 54.000 0.008 0.000 0.921 659 D CB 1.021 41.851 40.800 0.050 0.000 1.201 659 D HN 0.185 nan 8.370 nan 0.000 0.524 660 L N 1.047 122.228 121.223 -0.069 0.000 2.371 660 L HA 0.826 5.165 4.340 -0.001 0.000 0.272 660 L C 0.289 177.265 176.870 0.177 0.000 1.124 660 L CA -0.773 54.083 54.840 0.026 0.000 0.816 660 L CB 1.170 43.138 42.059 -0.152 0.000 1.129 660 L HN 0.289 nan 8.230 nan 0.000 0.448 661 A N 3.648 126.625 122.820 0.261 0.000 2.465 661 A HA 0.718 5.038 4.320 -0.001 0.000 0.292 661 A C -1.197 176.495 177.584 0.180 0.000 1.041 661 A CA -0.508 51.671 52.037 0.236 0.000 0.718 661 A CB 1.197 20.282 19.000 0.143 0.000 1.266 661 A HN 0.479 nan 8.150 nan 0.000 0.403 662 L N 1.351 122.642 121.223 0.113 0.000 2.343 662 L HA 0.521 4.860 4.340 -0.001 0.000 0.275 662 L C 0.001 176.888 176.870 0.029 0.000 1.056 662 L CA -0.112 54.753 54.840 0.043 0.000 0.804 662 L CB 0.776 42.786 42.059 -0.080 0.000 1.203 662 L HN 0.706 nan 8.230 nan 0.000 0.440 663 D N 1.576 121.996 120.400 0.033 0.000 2.829 663 D HA -0.178 4.462 4.640 -0.001 0.000 0.219 663 D C -1.745 174.564 176.300 0.015 0.000 1.239 663 D CA 0.308 54.322 54.000 0.023 0.000 0.685 663 D CB -0.421 40.385 40.800 0.009 0.000 0.950 663 D HN 0.401 nan 8.370 nan 0.000 0.398 664 P HA -0.081 nan 4.420 nan 0.000 0.214 664 P C 1.681 178.976 177.300 -0.009 0.000 1.162 664 P CA 1.585 64.689 63.100 0.008 0.000 0.879 664 P CB 0.114 31.813 31.700 -0.001 0.000 0.786 665 G N 0.004 108.795 108.800 -0.015 0.000 2.498 665 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.219 665 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.219 665 G C 0.621 175.509 174.900 -0.020 0.000 1.119 665 G CA 0.034 45.119 45.100 -0.024 0.000 0.766 665 G HN 0.332 nan 8.290 nan 0.000 0.552 666 R N -0.405 120.086 120.500 -0.015 0.000 2.664 666 R HA 0.487 4.827 4.340 -0.001 0.000 0.286 666 R C -0.341 175.950 176.300 -0.015 0.000 0.967 666 R CA -0.964 55.126 56.100 -0.017 0.000 0.933 666 R CB 1.073 31.362 30.300 -0.018 0.000 1.146 666 R HN -0.005 nan 8.270 nan 0.000 0.468 667 L N 2.022 123.234 121.223 -0.017 0.000 2.862 667 L HA 0.115 4.454 4.340 -0.001 0.000 0.240 667 L C -0.091 176.769 176.870 -0.017 0.000 1.283 667 L CA 0.015 54.847 54.840 -0.015 0.000 1.117 667 L CB 0.029 42.079 42.059 -0.015 0.000 1.444 667 L HN 0.788 nan 8.230 nan 0.000 0.456 668 S N -1.709 113.979 115.700 -0.019 0.000 2.317 668 S HA 0.381 4.850 4.470 -0.001 0.000 0.144 668 S C -2.562 172.024 174.600 -0.022 0.000 1.660 668 S CA -1.280 56.906 58.200 -0.023 0.000 1.273 668 S CB 0.513 63.695 63.200 -0.031 0.000 1.330 668 S HN -0.090 nan 8.310 nan 0.000 0.395 669 P HA 0.153 nan 4.420 nan 0.000 0.258 669 P C 0.500 177.782 177.300 -0.029 0.000 1.172 669 P CA 0.038 63.124 63.100 -0.022 0.000 0.762 669 P CB 0.421 32.109 31.700 -0.020 0.000 0.764 670 R N 2.341 122.824 120.500 -0.028 0.000 2.313 670 R HA 0.395 4.734 4.340 -0.001 0.000 0.199 670 R C 0.302 176.579 176.300 -0.039 0.000 0.958 670 R CA 0.486 56.575 56.100 -0.019 0.000 1.047 670 R CB 0.083 30.395 30.300 0.020 0.000 0.955 670 R HN 0.619 nan 8.270 nan 0.000 0.481 671 A N -1.997 120.779 122.820 -0.073 0.000 2.438 671 A HA 0.538 4.858 4.320 -0.001 0.000 0.301 671 A C -1.285 176.208 177.584 -0.152 0.000 1.101 671 A CA -0.266 51.704 52.037 -0.112 0.000 0.621 671 A CB 0.692 19.602 19.000 -0.151 0.000 1.350 671 A HN 0.167 nan 8.150 nan 0.000 0.496 672 T N -2.076 112.360 114.554 -0.196 0.000 2.885 672 T HA 0.665 5.015 4.350 -0.001 0.000 0.322 672 T C -0.833 173.726 174.700 -0.235 0.000 1.387 672 T CA -0.540 61.445 62.100 -0.193 0.000 1.041 672 T CB 0.589 69.432 68.868 -0.042 0.000 1.287 672 T HN 0.776 nan 8.240 nan 0.000 0.491 673 F N 1.491 121.462 119.950 0.036 0.000 2.418 673 F HA 0.410 4.937 4.527 -0.000 0.000 0.341 673 F C 2.172 178.005 175.800 0.055 0.000 1.120 673 F CA -0.544 57.488 58.000 0.052 0.000 1.232 673 F CB 1.029 40.046 39.000 0.028 0.000 1.175 673 F HN 0.777 nan 8.300 nan 0.000 0.569 674 Q N 0.967 120.920 119.800 0.254 0.000 2.096 674 Q HA -0.168 4.172 4.340 -0.001 0.000 0.197 674 Q C 1.911 178.002 176.000 0.152 0.000 0.964 674 Q CA 1.273 57.172 55.803 0.160 0.000 0.838 674 Q CB 0.014 28.831 28.738 0.132 0.000 0.906 674 Q HN 0.767 nan 8.270 nan 0.000 0.444 675 E N -0.392 119.917 120.200 0.182 0.000 2.130 675 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 675 E C 1.494 178.155 176.600 0.102 0.000 0.998 675 E CA 1.968 58.449 56.400 0.134 0.000 0.806 675 E CB -0.187 29.602 29.700 0.149 0.000 0.738 675 E HN 0.305 nan 8.360 nan 0.000 0.459 676 T N -2.367 112.258 114.554 0.117 0.000 2.955 676 T HA 0.163 4.513 4.350 -0.001 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 -0.087 120.386 120.400 0.122 0.000 3.609 677 K HA -0.150 4.170 4.320 -0.001 0.000 0.277 677 K C -0.331 176.322 176.600 0.088 0.000 1.196 677 K CA 0.879 57.221 56.287 0.092 0.000 1.022 677 K CB -1.389 31.148 32.500 0.062 0.000 1.292 677 K HN 0.351 nan 8.250 nan 0.000 0.484 678 N N 0.195 118.965 118.700 0.117 0.000 2.347 678 N HA 0.115 4.854 4.740 -0.001 0.000 0.253 678 N C 0.833 176.422 175.510 0.133 0.000 1.274 678 N CA 0.322 53.437 53.050 0.109 0.000 0.941 678 N CB 0.520 39.071 38.487 0.107 0.000 1.200 678 N HN 0.276 nan 8.380 nan 0.000 0.514 679 R N -1.338 119.218 120.500 0.094 0.000 2.313 679 R HA 0.227 4.567 4.340 -0.001 0.000 0.199 679 R C -0.217 176.187 176.300 0.173 0.000 0.958 679 R CA 0.143 56.276 56.100 0.055 0.000 1.047 679 R CB -0.425 29.890 30.300 0.024 0.000 0.955 679 R HN 0.423 nan 8.270 nan 0.000 0.481 680 S N -0.599 115.285 115.700 0.307 0.000 2.656 680 S HA 0.759 5.228 4.470 -0.001 0.000 0.273 680 S C -1.109 173.607 174.600 0.193 0.000 1.168 680 S CA -0.735 57.699 58.200 0.389 0.000 0.817 680 S CB 1.585 64.895 63.200 0.182 0.000 1.146 680 S HN 0.354 nan 8.310 nan 0.000 0.475 681 L N -2.060 119.084 121.223 -0.130 0.000 2.710 681 L HA 0.970 5.310 4.340 -0.001 0.000 0.260 681 L C -0.971 175.735 176.870 -0.273 0.000 0.993 681 L CA -0.427 54.250 54.840 -0.272 0.000 0.877 681 L CB 1.447 43.183 42.059 -0.540 0.000 1.461 681 L HN 0.894 nan 8.230 nan 0.000 0.413 682 S N 0.649 116.243 115.700 -0.177 0.000 2.541 682 S HA 0.892 5.362 4.470 -0.001 0.000 0.280 682 S C -1.244 173.304 174.600 -0.086 0.000 1.112 682 S CA -0.642 57.484 58.200 -0.122 0.000 0.925 682 S CB 1.340 64.508 63.200 -0.052 0.000 1.067 682 S HN 0.833 nan 8.310 nan 0.000 0.479 683 R N 2.323 122.792 120.500 -0.052 0.000 2.535 683 R HA 0.374 4.714 4.340 -0.001 0.000 0.274 683 R C -1.731 174.582 176.300 0.023 0.000 1.090 683 R CA -0.721 55.382 56.100 0.006 0.000 0.930 683 R CB 1.937 32.273 30.300 0.061 0.000 1.223 683 R HN 0.464 nan 8.270 nan 0.000 0.441 684 V N 4.518 124.443 119.914 0.018 0.000 2.408 684 V HA 0.411 4.530 4.120 -0.001 0.000 0.267 684 V C 0.291 176.382 176.094 -0.004 0.000 1.047 684 V CA -0.162 62.143 62.300 0.008 0.000 0.937 684 V CB 0.716 32.541 31.823 0.004 0.000 0.999 684 V HN 0.584 nan 8.190 nan 0.000 0.472 685 R N 3.070 123.547 120.500 -0.039 0.000 2.837 685 R HA 0.648 4.987 4.340 -0.001 0.000 0.271 685 R C -1.170 175.014 176.300 -0.194 0.000 0.993 685 R CA -0.944 55.087 56.100 -0.115 0.000 0.931 685 R CB 2.530 32.737 30.300 -0.155 0.000 1.206 685 R HN 0.449 nan 8.270 nan 0.000 0.474 686 V N 3.781 123.560 119.914 -0.225 0.000 2.488 686 V HA 0.321 4.440 4.120 -0.001 0.000 0.277 686 V C -0.178 175.781 176.094 -0.225 0.000 1.046 686 V CA -0.229 61.972 62.300 -0.165 0.000 0.986 686 V CB 0.582 32.355 31.823 -0.082 0.000 0.989 686 V HN 0.498 nan 8.190 nan 0.000 0.475 687 L N 6.309 127.455 121.223 -0.127 0.000 2.400 687 L HA 0.924 5.263 4.340 -0.001 0.000 0.264 687 L C 0.653 177.508 176.870 -0.025 0.000 1.061 687 L CA -0.065 54.729 54.840 -0.077 0.000 0.799 687 L CB 1.764 43.794 42.059 -0.048 0.000 1.240 687 L HN 0.815 nan 8.230 nan 0.000 0.461 688 G N -0.374 108.430 108.800 0.007 0.000 2.649 688 G HA2 0.402 4.361 3.960 -0.001 0.000 0.290 688 G HA3 0.402 4.361 3.960 -0.001 0.000 0.290 688 G C -0.195 174.718 174.900 0.021 0.000 1.426 688 G CA -0.658 44.449 45.100 0.011 0.000 0.794 688 G HN 0.522 nan 8.290 nan 0.000 0.483 689 L N -1.563 119.666 121.223 0.011 0.000 2.456 689 L HA 0.413 4.753 4.340 -0.001 0.000 0.224 689 L C 1.011 177.916 176.870 0.058 0.000 1.148 689 L CA 0.867 55.718 54.840 0.019 0.000 0.825 689 L CB -0.585 41.471 42.059 -0.005 0.000 0.937 689 L HN 0.206 nan 8.230 nan 0.000 0.450 690 K N 1.847 122.277 120.400 0.050 0.000 2.183 690 K HA 0.662 4.982 4.320 -0.001 0.000 0.274 690 K C 0.126 176.773 176.600 0.078 0.000 1.009 690 K CA -0.077 56.239 56.287 0.050 0.000 0.888 690 K CB 1.093 33.607 32.500 0.023 0.000 1.078 690 K HN 0.262 nan 8.250 nan 0.000 0.459 691 A N 3.334 126.193 122.820 0.065 0.000 2.615 691 A HA 0.021 4.341 4.320 -0.001 0.000 0.230 691 A C -0.631 177.013 177.584 0.100 0.000 1.062 691 A CA 0.596 52.680 52.037 0.079 0.000 0.758 691 A CB -0.314 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 -0.163 118.915 119.070 0.013 0.000 2.991 692 H HA 0.479 5.035 4.556 -0.001 0.000 0.304 692 H C -1.277 174.040 175.328 -0.018 0.000 1.040 692 H CA -0.580 55.464 56.048 -0.007 0.000 1.410 692 H CB 0.643 30.405 29.762 0.001 0.000 1.529 692 H HN 0.648 nan 8.280 nan 0.000 0.509 693 c N 4.283 122.686 118.600 -0.329 0.000 2.303 693 c HA 0.469 5.039 4.570 -0.001 0.000 0.326 693 c C -0.068 173.796 174.090 -0.377 0.000 1.285 693 c CA -0.514 55.664 56.329 -0.251 0.000 1.675 693 c CB 0.119 42.529 42.510 -0.167 0.000 2.289 693 c HN 0.883 nan 8.230 nan 0.000 0.512 694 E N 2.855 122.887 120.200 -0.280 0.000 2.275 694 E HA 0.409 4.759 4.350 -0.001 0.000 0.270 694 E C -1.219 175.115 176.600 -0.444 0.000 0.882 694 E CA -0.381 55.787 56.400 -0.388 0.000 0.758 694 E CB 1.077 30.533 29.700 -0.407 0.000 1.195 694 E HN 0.833 nan 8.360 nan 0.000 0.419 695 N N 3.030 121.463 118.700 -0.444 0.000 2.430 695 N HA 0.416 5.156 4.740 -0.001 0.000 0.292 695 N C -1.321 173.926 175.510 -0.438 0.000 1.051 695 N CA -0.337 52.535 53.050 -0.298 0.000 0.917 695 N CB 0.667 39.082 38.487 -0.120 0.000 1.164 695 N HN 0.176 nan 8.380 nan 0.000 0.484 696 F N -0.264 119.742 119.950 0.093 0.000 2.523 696 F HA 0.460 4.987 4.527 -0.001 0.000 0.329 696 F C 0.484 176.396 175.800 0.186 0.000 1.061 696 F CA -1.064 57.021 58.000 0.142 0.000 0.967 696 F CB 1.263 40.370 39.000 0.179 0.000 1.218 696 F HN 0.269 nan 8.300 nan 0.000 0.480 697 N N 1.719 120.649 118.700 0.384 0.000 2.455 697 N HA 0.537 5.276 4.740 -0.001 0.000 0.280 697 N C -1.292 174.372 175.510 0.257 0.000 1.055 697 N CA -0.321 52.880 53.050 0.253 0.000 0.961 697 N CB 1.461 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 1.864 123.172 121.223 0.141 0.000 2.362 698 L HA 0.543 4.883 4.340 -0.001 0.000 0.271 698 L C -0.717 176.150 176.870 -0.005 0.000 1.002 698 L CA -0.610 54.241 54.840 0.018 0.000 0.818 698 L CB 1.560 43.604 42.059 -0.025 0.000 1.298 698 L HN 0.267 nan 8.230 nan 0.000 0.420 699 L N 3.680 124.877 121.223 -0.043 0.000 2.342 699 L HA 0.512 4.852 4.340 -0.001 0.000 0.276 699 L C -0.743 176.100 176.870 -0.046 0.000 0.997 699 L CA -0.012 54.812 54.840 -0.026 0.000 0.838 699 L CB 1.305 43.361 42.059 -0.006 0.000 1.224 699 L HN 0.374 nan 8.230 nan 0.000 0.416 700 L N 6.094 127.293 121.223 -0.040 0.000 2.265 700 L HA 0.472 4.812 4.340 -0.001 0.000 0.288 700 L C -1.887 174.971 176.870 -0.020 0.000 1.058 700 L CA -1.793 53.024 54.840 -0.037 0.000 0.809 700 L CB 1.204 43.237 42.059 -0.044 0.000 1.179 700 L HN 0.342 nan 8.230 nan 0.000 0.429 701 P HA 0.012 nan 4.420 nan 0.000 0.268 701 P C 0.649 177.939 177.300 -0.017 0.000 1.204 701 P CA -0.184 62.904 63.100 -0.019 0.000 0.768 701 P CB 1.021 32.706 31.700 -0.026 0.000 0.842 702 S N 2.095 117.788 115.700 -0.011 0.000 2.372 702 S HA -0.155 4.314 4.470 -0.001 0.000 0.227 702 S C 0.772 175.356 174.600 -0.027 0.000 1.044 702 S CA 0.834 59.032 58.200 -0.004 0.000 1.050 702 S CB -1.130 62.071 63.200 0.001 0.000 0.901 702 S HN 0.577 nan 8.310 nan 0.000 0.447 703 c N 1.984 120.557 118.600 -0.045 0.000 2.319 703 c HA 0.899 5.468 4.570 -0.001 0.000 0.335 703 c C 0.005 174.029 174.090 -0.109 0.000 1.274 703 c CA -0.883 55.397 56.329 -0.082 0.000 1.806 703 c CB 0.549 43.023 42.510 -0.060 0.000 2.329 703 c HN 0.420 nan 8.230 nan 0.000 0.524 704 V N 2.664 122.468 119.914 -0.182 0.000 3.048 704 V HA 0.277 4.397 4.120 -0.001 0.000 0.303 704 V C 0.254 176.197 176.094 -0.251 0.000 1.214 704 V CA -0.461 61.726 62.300 -0.188 0.000 0.984 704 V CB 1.830 33.552 31.823 -0.168 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.817 120.902 120.200 -0.191 0.000 2.013 705 E HA -0.059 4.291 4.350 -0.001 0.000 0.194 705 E C 0.179 176.637 176.600 -0.237 0.000 0.973 705 E CA 0.691 56.981 56.400 -0.183 0.000 0.842 705 E CB 0.082 29.708 29.700 -0.123 0.000 0.801 705 E HN 0.780 nan 8.360 nan 0.000 0.476 706 D N -0.181 120.088 120.400 -0.217 0.000 2.383 706 D HA -0.002 4.638 4.640 -0.001 0.000 0.252 706 D C 0.246 176.274 176.300 -0.453 0.000 1.166 706 D CA 0.202 54.046 54.000 -0.259 0.000 0.879 706 D CB 1.083 41.770 40.800 -0.189 0.000 1.164 706 D HN 0.113 nan 8.370 nan 0.000 0.462 707 S N 1.598 116.968 115.700 -0.549 0.000 2.619 707 S HA -0.044 4.426 4.470 -0.001 0.000 0.238 707 S C 1.970 176.016 174.600 -0.924 0.000 1.068 707 S CA 0.428 58.002 58.200 -1.044 0.000 0.926 707 S CB -0.536 62.403 63.200 -0.436 0.000 0.864 707 S HN 0.320 nan 8.310 nan 0.000 0.493 708 V N 2.424 122.070 119.914 -0.446 0.000 2.287 708 V HA 0.001 4.120 4.120 -0.001 0.000 0.248 708 V C 1.436 177.403 176.094 -0.211 0.000 1.053 708 V CA 1.703 63.807 62.300 -0.326 0.000 1.027 708 V CB -2.341 29.344 31.823 -0.231 0.000 0.646 708 V HN 0.726 nan 8.190 nan 0.000 0.447 709 T N -0.467 113.973 114.554 -0.189 0.000 2.727 709 T HA 0.482 4.832 4.350 -0.001 0.000 0.295 709 T C -2.251 172.471 174.700 0.037 0.000 0.915 709 T CA -1.714 60.357 62.100 -0.049 0.000 1.066 709 T CB 0.576 69.423 68.868 -0.034 0.000 0.891 709 T HN 0.358 nan 8.240 nan 0.000 0.516 710 P HA 0.096 nan 4.420 nan 0.000 0.269 710 P C 0.296 177.746 177.300 0.250 0.000 1.205 710 P CA -0.373 62.934 63.100 0.344 0.000 0.780 710 P CB 0.259 32.069 31.700 0.184 0.000 0.858 711 I N -1.518 119.175 120.570 0.204 0.000 2.371 711 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 711 I C 0.416 176.554 176.117 0.035 0.000 1.028 711 I CA -0.612 60.735 61.300 0.078 0.000 1.345 711 I CB 0.818 38.819 38.000 0.001 0.000 1.407 711 I HN 0.221 nan 8.210 nan 0.000 0.501 712 T N 4.892 119.496 114.554 0.083 0.000 2.910 712 T HA 0.571 4.920 4.350 -0.001 0.000 0.293 712 T C -0.468 174.339 174.700 0.177 0.000 1.015 712 T CA -0.757 61.426 62.100 0.139 0.000 1.094 712 T CB 1.956 70.893 68.868 0.114 0.000 0.968 712 T HN 0.708 nan 8.240 nan 0.000 0.521 713 L N 2.731 124.118 121.223 0.273 0.000 2.491 713 L HA 0.610 4.950 4.340 -0.001 0.000 0.267 713 L C -0.697 176.325 176.870 0.254 0.000 0.971 713 L CA -0.968 54.046 54.840 0.289 0.000 0.857 713 L CB 1.387 43.700 42.059 0.424 0.000 1.226 713 L HN 0.977 nan 8.230 nan 0.000 0.408 714 R N 3.787 124.419 120.500 0.221 0.000 2.732 714 R HA 0.825 5.165 4.340 -0.001 0.000 0.278 714 R C -1.542 174.904 176.300 0.244 0.000 0.976 714 R CA -0.748 55.492 56.100 0.232 0.000 0.963 714 R CB 1.449 31.865 30.300 0.194 0.000 1.150 714 R HN 0.420 nan 8.270 nan 0.000 0.478 715 L N -0.224 121.171 121.223 0.286 0.000 2.341 715 L HA 0.611 4.951 4.340 -0.001 0.000 0.278 715 L C -0.858 176.201 176.870 0.315 0.000 1.005 715 L CA -0.986 54.014 54.840 0.266 0.000 0.818 715 L CB 1.742 43.944 42.059 0.238 0.000 1.259 715 L HN 0.729 nan 8.230 nan 0.000 0.418 716 N N 3.330 122.178 118.700 0.247 0.000 2.434 716 N HA 0.520 5.260 4.740 -0.001 0.000 0.272 716 N C -1.331 174.257 175.510 0.131 0.000 1.040 716 N CA -0.379 52.726 53.050 0.092 0.000 0.956 716 N CB 0.787 39.347 38.487 0.122 0.000 1.108 716 N HN 0.689 nan 8.380 nan 0.000 0.481 717 F N 0.792 120.690 119.950 -0.086 0.000 2.578 717 F HA 0.742 5.268 4.527 -0.001 0.000 0.311 717 F C -0.174 175.590 175.800 -0.060 0.000 1.094 717 F CA -0.685 57.293 58.000 -0.037 0.000 0.923 717 F CB 1.235 40.248 39.000 0.022 0.000 1.230 717 F HN 0.446 nan 8.300 nan 0.000 0.450 718 T N 0.381 114.906 114.554 -0.049 0.000 2.565 718 T HA 0.669 5.019 4.350 -0.001 0.000 0.253 718 T C -1.380 173.345 174.700 0.042 0.000 0.868 718 T CA -0.919 61.101 62.100 -0.133 0.000 1.213 718 T CB 1.166 69.959 68.868 -0.125 0.000 1.518 718 T HN 0.773 nan 8.240 nan 0.000 0.474 719 L N 1.469 122.698 121.223 0.011 0.000 2.442 719 L HA 0.643 4.983 4.340 -0.001 0.000 0.261 719 L C -0.458 176.422 176.870 0.017 0.000 1.000 719 L CA -0.847 54.015 54.840 0.036 0.000 0.882 719 L CB 1.633 43.715 42.059 0.038 0.000 1.207 719 L HN 0.553 nan 8.230 nan 0.000 0.443 720 V N 3.154 123.078 119.914 0.018 0.000 2.904 720 V HA 0.741 4.860 4.120 -0.001 0.000 0.305 720 V C 1.212 177.310 176.094 0.006 0.000 1.067 720 V CA 1.288 63.593 62.300 0.009 0.000 1.044 720 V CB 1.444 33.272 31.823 0.009 0.000 1.050 720 V HN 0.926 nan 8.190 nan 0.000 0.475 721 G N 3.173 111.976 108.800 0.006 0.000 5.426 721 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.297 721 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.297 721 G C 0.588 175.492 174.900 0.006 0.000 1.422 721 G CA 0.546 45.648 45.100 0.003 0.000 0.938 721 G HN 1.406 nan 8.290 nan 0.000 0.754 722 K N -0.256 120.143 120.400 -0.000 0.000 3.230 722 K HA -0.150 4.170 4.320 -0.001 0.000 0.285 722 K C -2.465 174.123 176.600 -0.020 0.000 1.196 722 K CA 1.058 57.344 56.287 -0.001 0.000 0.838 722 K CB -1.581 30.930 32.500 0.018 0.000 1.262 722 K HN 0.695 nan 8.250 nan 0.000 0.492 723 P HA 0.378 nan 4.420 nan 0.000 0.301 723 P C -0.659 176.567 177.300 -0.125 0.000 1.348 723 P CA -0.327 62.706 63.100 -0.111 0.000 0.826 723 P CB 0.922 32.566 31.700 -0.093 0.000 0.945 724 L N 5.341 126.462 121.223 -0.171 0.000 2.529 724 L HA 0.182 4.521 4.340 -0.001 0.000 0.258 724 L C 0.626 177.399 176.870 -0.162 0.000 1.032 724 L CA -0.672 54.090 54.840 -0.130 0.000 0.899 724 L CB 1.393 43.403 42.059 -0.081 0.000 1.174 724 L HN 0.305 nan 8.230 nan 0.000 0.458 725 L N 2.494 123.622 121.223 -0.159 0.000 5.323 725 L HA -0.345 3.995 4.340 -0.001 0.000 0.053 725 L C 0.687 177.419 176.870 -0.229 0.000 3.097 725 L CA 2.156 56.909 54.840 -0.145 0.000 1.447 725 L CB -1.041 40.967 42.059 -0.085 0.000 2.992 725 L HN 0.655 nan 8.230 nan 0.000 0.968 726 A N -0.928 121.800 122.820 -0.152 0.000 2.267 726 A HA 0.490 4.809 4.320 -0.001 0.000 0.271 726 A C 0.205 177.653 177.584 -0.228 0.000 1.131 726 A CA 0.494 52.459 52.037 -0.120 0.000 0.818 726 A CB -0.249 18.759 19.000 0.013 0.000 1.118 726 A HN 0.531 nan 8.150 nan 0.000 0.501 727 F N -0.516 119.440 119.950 0.010 0.000 2.949 727 F HA 0.242 4.769 4.527 -0.001 0.000 0.291 727 F C 1.647 177.455 175.800 0.013 0.000 1.214 727 F CA 0.115 58.123 58.000 0.012 0.000 1.381 727 F CB 0.002 39.011 39.000 0.015 0.000 1.066 727 F HN 0.505 nan 8.300 nan 0.000 0.520 728 R N 0.231 120.794 120.500 0.106 0.000 2.334 728 R HA 0.043 4.383 4.340 -0.001 0.000 0.216 728 R C 1.599 177.922 176.300 0.040 0.000 0.905 728 R CA 0.392 56.535 56.100 0.071 0.000 1.064 728 R CB -0.021 30.306 30.300 0.045 0.000 1.046 728 R HN 0.358 nan 8.270 nan 0.000 0.508 729 N N 0.548 119.267 118.700 0.032 0.000 2.482 729 N HA -0.004 4.736 4.740 -0.001 0.000 0.179 729 N C 1.303 176.841 175.510 0.047 0.000 1.039 729 N CA 0.171 53.236 53.050 0.024 0.000 0.884 729 N CB 0.144 38.633 38.487 0.003 0.000 1.113 729 N HN 0.042 nan 8.380 nan 0.000 0.440 730 L N -0.489 120.779 121.223 0.076 0.000 4.438 730 L HA -0.371 3.969 4.340 -0.001 0.000 0.053 730 L C 0.398 177.306 176.870 0.063 0.000 3.682 730 L CA 2.282 57.184 54.840 0.103 0.000 1.233 730 L CB -0.999 41.127 42.059 0.111 0.000 3.182 730 L HN 0.530 nan 8.230 nan 0.000 0.885 731 R N 1.782 122.315 120.500 0.055 0.000 2.239 731 R HA 0.536 4.876 4.340 -0.001 0.000 0.332 731 R C -2.806 173.519 176.300 0.041 0.000 0.988 731 R CA -1.512 54.614 56.100 0.045 0.000 0.859 731 R CB 1.465 31.791 30.300 0.045 0.000 1.148 731 R HN 0.021 nan 8.270 nan 0.000 0.482 732 P HA 0.385 nan 4.420 nan 0.000 0.279 732 P C -0.736 176.596 177.300 0.054 0.000 1.276 732 P CA -0.760 62.367 63.100 0.045 0.000 0.801 732 P CB 1.047 32.769 31.700 0.036 0.000 1.127 733 M N -1.859 117.786 119.600 0.076 0.000 3.419 733 M HA 0.489 4.968 4.480 -0.001 0.000 0.287 733 M C -1.818 174.554 176.300 0.119 0.000 1.333 733 M CA -0.895 54.452 55.300 0.079 0.000 0.843 733 M CB 1.005 33.651 32.600 0.077 0.000 1.686 733 M HN -0.070 nan 8.290 nan 0.000 0.491 734 L N 1.051 122.332 121.223 0.098 0.000 2.365 734 L HA 0.943 5.282 4.340 -0.001 0.000 0.267 734 L C 0.396 177.345 176.870 0.132 0.000 1.033 734 L CA -0.911 54.008 54.840 0.131 0.000 0.802 734 L CB 1.620 43.697 42.059 0.030 0.000 1.267 734 L HN 0.949 nan 8.230 nan 0.000 0.457 735 A N 0.327 123.215 122.820 0.114 0.000 2.301 735 A HA 0.655 4.975 4.320 -0.001 0.000 0.287 735 A C 1.039 178.459 177.584 -0.272 0.000 1.274 735 A CA 0.440 52.441 52.037 -0.061 0.000 0.865 735 A CB 0.129 18.977 19.000 -0.254 0.000 1.324 735 A HN 0.857 nan 8.150 nan 0.000 0.508 736 A N -0.702 121.765 122.820 -0.588 0.000 1.832 736 A HA -0.003 4.317 4.320 -0.001 0.000 0.214 736 A C 0.691 178.075 177.584 -0.334 0.000 1.200 736 A CA 1.587 53.344 52.037 -0.468 0.000 0.610 736 A CB -0.758 17.866 19.000 -0.626 0.000 0.842 736 A HN 0.661 nan 8.150 nan 0.000 0.444 737 D N 1.014 121.191 120.400 -0.373 0.000 2.541 737 D HA 0.423 5.062 4.640 -0.001 0.000 0.231 737 D C -0.342 175.841 176.300 -0.196 0.000 1.163 737 D CA 0.631 54.478 54.000 -0.254 0.000 1.077 737 D CB -0.067 40.584 40.800 -0.249 0.000 1.110 737 D HN 0.363 nan 8.370 nan 0.000 0.499 738 A N 2.739 125.457 122.820 -0.170 0.000 2.412 738 A HA 0.173 4.493 4.320 -0.001 0.000 0.334 738 A C 0.547 178.013 177.584 -0.196 0.000 1.419 738 A CA -0.729 51.228 52.037 -0.133 0.000 0.930 738 A CB 0.482 19.380 19.000 -0.170 0.000 1.149 738 A HN 0.125 nan 8.150 nan 0.000 0.515 739 Q N 2.160 121.851 119.800 -0.181 0.000 2.945 739 Q HA 0.067 4.406 4.340 -0.001 0.000 0.323 739 Q C 0.815 176.305 176.000 -0.850 0.000 1.188 739 Q CA -0.024 55.510 55.803 -0.449 0.000 0.929 739 Q CB -0.200 28.291 28.738 -0.412 0.000 1.531 739 Q HN 0.761 nan 8.270 nan 0.000 0.444 740 R N -0.234 119.927 120.500 -0.565 0.000 2.261 740 R HA -0.135 4.205 4.340 -0.001 0.000 0.236 740 R C -0.115 175.883 176.300 -0.505 0.000 1.141 740 R CA 0.969 56.697 56.100 -0.620 0.000 1.001 740 R CB 0.053 29.796 30.300 -0.928 0.000 0.866 740 R HN 0.249 nan 8.270 nan 0.000 0.468 741 Y N 0.017 120.094 120.300 -0.372 0.000 2.594 741 Y HA 0.218 4.768 4.550 -0.001 0.000 0.342 741 Y C -0.553 175.178 175.900 -0.282 0.000 1.010 741 Y CA -0.937 57.039 58.100 -0.206 0.000 1.270 741 Y CB 0.166 38.546 38.460 -0.133 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.087 121.208 119.950 0.284 0.000 2.444 742 F HA 0.557 5.083 4.527 -0.001 0.000 0.342 742 F C 0.286 176.192 175.800 0.177 0.000 1.121 742 F CA -0.971 57.150 58.000 0.201 0.000 0.997 742 F CB 1.817 40.917 39.000 0.166 0.000 1.130 742 F HN 0.120 nan 8.300 nan 0.000 0.454 743 T N 2.520 117.279 114.554 0.342 0.000 2.863 743 T HA 0.827 5.177 4.350 -0.001 0.000 0.285 743 T C -0.771 174.062 174.700 0.221 0.000 1.009 743 T CA -0.752 61.498 62.100 0.249 0.000 0.989 743 T CB 1.766 70.752 68.868 0.196 0.000 1.004 743 T HN 0.681 nan 8.240 nan 0.000 0.455 744 A N 2.112 125.063 122.820 0.219 0.000 2.386 744 A HA 0.838 5.157 4.320 -0.001 0.000 0.311 744 A C 0.100 177.939 177.584 0.426 0.000 1.068 744 A CA -0.852 51.321 52.037 0.226 0.000 0.743 744 A CB 1.191 20.217 19.000 0.044 0.000 1.258 744 A HN 0.878 nan 8.150 nan 0.000 0.429 745 S N 1.289 117.231 115.700 0.402 0.000 2.608 745 S HA 0.732 5.202 4.470 -0.001 0.000 0.291 745 S C -0.544 174.224 174.600 0.280 0.000 1.146 745 S CA -0.633 57.756 58.200 0.316 0.000 1.043 745 S CB 1.246 64.560 63.200 0.189 0.000 1.037 745 S HN 0.933 nan 8.310 nan 0.000 0.520 746 L N 2.674 123.805 121.223 -0.152 0.000 2.345 746 L HA 0.519 4.859 4.340 -0.001 0.000 0.274 746 L C -2.757 173.944 176.870 -0.283 0.000 0.999 746 L CA -2.380 52.171 54.840 -0.481 0.000 0.849 746 L CB 2.079 43.389 42.059 -1.247 0.000 1.220 746 L HN 0.529 nan 8.230 nan 0.000 0.422 747 P HA 0.341 nan 4.420 nan 0.000 0.277 747 P C -1.239 175.980 177.300 -0.136 0.000 1.276 747 P CA -0.095 63.023 63.100 0.029 0.000 0.788 747 P CB 0.640 32.380 31.700 0.067 0.000 1.114 748 F N -1.639 118.297 119.950 -0.024 0.000 2.579 748 F HA 0.316 4.843 4.527 -0.001 0.000 0.324 748 F C 0.941 176.714 175.800 -0.045 0.000 1.058 748 F CA -0.880 57.119 58.000 -0.001 0.000 0.944 748 F CB 0.966 40.014 39.000 0.080 0.000 1.245 748 F HN 0.237 nan 8.300 nan 0.000 0.477 749 E N 2.413 122.668 120.200 0.092 0.000 1.775 749 E HA 0.060 4.410 4.350 -0.001 0.000 0.266 749 E C -0.360 176.149 176.600 -0.152 0.000 1.191 749 E CA -0.525 55.850 56.400 -0.042 0.000 1.048 749 E CB 0.145 29.791 29.700 -0.090 0.000 1.081 749 E HN 0.389 nan 8.360 nan 0.000 0.434 750 K N 3.282 123.624 120.400 -0.098 0.000 2.524 750 K HA -0.064 4.256 4.320 -0.001 0.000 0.279 750 K C -0.597 175.890 176.600 -0.188 0.000 0.993 750 K CA 0.025 56.213 56.287 -0.166 0.000 1.030 750 K CB 0.201 32.589 32.500 -0.186 0.000 0.891 750 K HN 0.323 nan 8.250 nan 0.000 0.488 751 N N 3.802 122.361 118.700 -0.236 0.000 2.410 751 N HA -0.034 4.706 4.740 -0.001 0.000 0.281 751 N C 0.160 175.650 175.510 -0.034 0.000 1.241 751 N CA 0.037 52.990 53.050 -0.162 0.000 0.998 751 N CB -0.462 37.953 38.487 -0.119 0.000 1.376 751 N HN 0.614 nan 8.380 nan 0.000 0.490 752 c N 0.567 119.167 118.600 0.001 0.000 2.509 752 c HA 0.624 5.194 4.570 -0.001 0.000 0.301 752 c C 0.976 175.120 174.090 0.091 0.000 1.317 752 c CA -0.285 56.092 56.329 0.080 0.000 1.667 752 c CB -1.566 41.019 42.510 0.124 0.000 1.717 752 c HN 0.657 nan 8.230 nan 0.000 0.595 753 G N -1.062 107.763 108.800 0.042 0.000 2.340 753 G HA2 0.443 4.403 3.960 -0.001 0.000 0.527 753 G HA3 0.443 4.403 3.960 -0.001 0.000 0.527 753 G C 0.202 175.116 174.900 0.024 0.000 1.381 753 G CA -0.307 44.815 45.100 0.036 0.000 1.001 753 G HN 1.076 nan 8.290 nan 0.000 0.626 754 A N -0.212 122.620 122.820 0.021 0.000 2.239 754 A HA 0.465 4.785 4.320 -0.001 0.000 0.209 754 A C 1.003 178.601 177.584 0.023 0.000 1.171 754 A CA 2.313 54.360 52.037 0.017 0.000 0.768 754 A CB -0.663 18.346 19.000 0.015 0.000 0.790 754 A HN 1.790 nan 8.150 nan 0.000 0.478 755 D N -5.468 114.959 120.400 0.046 0.000 3.182 755 D HA 0.230 4.870 4.640 -0.001 0.000 0.352 755 D C 0.196 176.580 176.300 0.140 0.000 1.421 755 D CA 0.188 54.224 54.000 0.061 0.000 0.912 755 D CB -0.117 40.716 40.800 0.054 0.000 1.461 755 D HN 0.348 nan 8.370 nan 0.000 0.548 756 H N -1.350 117.712 119.070 -0.013 0.000 3.636 756 H HA -0.190 4.365 4.556 -0.001 0.000 0.179 756 H C 0.926 176.246 175.328 -0.013 0.000 0.968 756 H CA 1.460 57.501 56.048 -0.011 0.000 1.220 756 H CB -1.204 28.552 29.762 -0.009 0.000 1.023 756 H HN 0.834 nan 8.280 nan 0.000 0.366 757 I N -1.592 118.908 120.570 -0.117 0.000 4.242 757 I HA -0.354 3.815 4.170 -0.001 0.000 0.173 757 I C 0.651 176.674 176.117 -0.156 0.000 1.359 757 I CA 1.325 62.539 61.300 -0.144 0.000 1.270 757 I CB -1.900 36.008 38.000 -0.154 0.000 1.939 757 I HN 0.864 nan 8.210 nan 0.000 0.247 758 c N 2.122 120.613 118.600 -0.181 0.000 2.329 758 c HA -0.153 4.417 4.570 -0.001 0.000 0.248 758 c C 0.626 174.660 174.090 -0.093 0.000 1.015 758 c CA 0.455 56.735 56.329 -0.081 0.000 2.869 758 c CB -1.596 40.899 42.510 -0.024 0.000 1.688 758 c HN 0.513 nan 8.230 nan 0.000 0.347 759 Q N 1.783 121.513 119.800 -0.117 0.000 2.331 759 Q HA 0.261 4.601 4.340 -0.001 0.000 0.257 759 Q C -0.047 175.942 176.000 -0.018 0.000 0.957 759 Q CA 0.022 55.781 55.803 -0.074 0.000 0.923 759 Q CB 1.281 29.961 28.738 -0.097 0.000 1.212 759 Q HN 0.543 nan 8.270 nan 0.000 0.443 760 D N 2.695 123.094 120.400 -0.002 0.000 2.393 760 D HA 0.100 4.740 4.640 -0.001 0.000 0.232 760 D C -0.355 175.958 176.300 0.022 0.000 1.192 760 D CA 0.045 54.058 54.000 0.023 0.000 0.882 760 D CB 0.285 41.106 40.800 0.036 0.000 1.038 760 D HN 0.270 nan 8.370 nan 0.000 0.499 761 N N 3.500 122.212 118.700 0.021 0.000 2.573 761 N HA 0.340 5.080 4.740 -0.001 0.000 0.262 761 N C -1.600 173.940 175.510 0.050 0.000 1.029 761 N CA -0.403 52.661 53.050 0.023 0.000 0.882 761 N CB 0.553 39.039 38.487 -0.001 0.000 1.204 761 N HN 0.200 nan 8.380 nan 0.000 0.519 762 L N 1.544 122.823 121.223 0.093 0.000 2.431 762 L HA 0.789 5.128 4.340 -0.001 0.000 0.266 762 L C 0.680 177.679 176.870 0.215 0.000 0.978 762 L CA -1.136 53.809 54.840 0.175 0.000 0.822 762 L CB 2.254 44.431 42.059 0.198 0.000 1.310 762 L HN 0.462 nan 8.230 nan 0.000 0.409 763 G N 1.829 110.850 108.800 0.368 0.000 2.597 763 G HA2 0.865 4.825 3.960 -0.001 0.000 0.317 763 G HA3 0.865 4.825 3.960 -0.001 0.000 0.317 763 G C -1.500 173.763 174.900 0.605 0.000 1.230 763 G CA -0.599 44.792 45.100 0.485 0.000 0.996 763 G HN 0.601 nan 8.290 nan 0.000 0.490 764 I N -1.044 119.833 120.570 0.510 0.000 2.842 764 I HA 0.676 4.846 4.170 -0.001 0.000 0.297 764 I C -1.342 174.683 176.117 -0.153 0.000 1.380 764 I CA -0.585 60.769 61.300 0.090 0.000 1.018 764 I CB 2.190 40.238 38.000 0.080 0.000 1.311 764 I HN 0.715 nan 8.210 nan 0.000 0.439 765 S N 5.572 120.921 115.700 -0.584 0.000 2.542 765 S HA 0.792 5.262 4.470 -0.001 0.000 0.276 765 S C -1.542 172.590 174.600 -0.781 0.000 1.148 765 S CA -0.489 56.984 58.200 -1.212 0.000 0.886 765 S CB 1.244 63.960 63.200 -0.806 0.000 1.109 765 S HN 0.662 nan 8.310 nan 0.000 0.458 766 F N 1.219 120.730 119.950 -0.732 0.000 2.643 766 F HA 0.938 5.465 4.527 -0.000 0.000 0.314 766 F C -0.306 175.361 175.800 -0.221 0.000 1.096 766 F CA -0.554 57.236 58.000 -0.351 0.000 0.953 766 F CB 1.130 39.998 39.000 -0.219 0.000 1.345 766 F HN 0.642 nan 8.300 nan 0.000 0.468 767 S N -0.094 115.605 115.700 -0.003 0.000 2.840 767 S HA 0.811 5.281 4.470 -0.001 0.000 0.307 767 S C -1.819 172.572 174.600 -0.348 0.000 1.180 767 S CA -0.749 57.391 58.200 -0.099 0.000 0.846 767 S CB 1.787 64.967 63.200 -0.032 0.000 1.233 767 S HN 0.565 nan 8.310 nan 0.000 0.548 768 F N 1.443 121.469 119.950 0.127 0.000 2.552 768 F HA 0.488 5.014 4.527 -0.000 0.000 0.369 768 F C -2.718 173.104 175.800 0.037 0.000 1.112 768 F CA -1.946 56.096 58.000 0.069 0.000 1.129 768 F CB 1.300 40.337 39.000 0.063 0.000 1.360 768 F HN 0.276 nan 8.300 nan 0.000 0.473 769 P HA 0.220 nan 4.420 nan 0.000 0.264 769 P C 0.893 178.246 177.300 0.088 0.000 1.236 769 P CA 0.772 63.926 63.100 0.091 0.000 0.811 769 P CB 0.457 32.187 31.700 0.050 0.000 0.840 770 G N 2.677 111.521 108.800 0.074 0.000 2.179 770 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 770 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 770 G C 0.007 174.933 174.900 0.045 0.000 0.977 770 G CA -0.180 44.950 45.100 0.050 0.000 0.641 770 G HN 0.598 nan 8.290 nan 0.000 0.533 771 L N 1.880 123.143 121.223 0.067 0.000 2.638 771 L HA 0.476 4.816 4.340 -0.001 0.000 0.273 771 L C 0.838 177.709 176.870 0.002 0.000 1.147 771 L CA 0.228 55.080 54.840 0.020 0.000 0.941 771 L CB -0.016 42.045 42.059 0.003 0.000 1.251 771 L HN 0.349 nan 8.230 nan 0.000 0.479 772 K N 3.268 123.660 120.400 -0.014 0.000 2.414 772 K HA 0.472 4.792 4.320 -0.001 0.000 0.251 772 K C 0.571 177.152 176.600 -0.031 0.000 1.037 772 K CA 0.063 56.342 56.287 -0.013 0.000 0.980 772 K CB 0.972 33.469 32.500 -0.004 0.000 1.280 772 K HN 0.630 nan 8.250 nan 0.000 0.451 773 S N 2.538 118.214 115.700 -0.039 0.000 1.630 773 S HA -0.231 4.238 4.470 -0.001 0.000 0.242 773 S C 0.073 174.622 174.600 -0.084 0.000 0.845 773 S CA 1.039 59.210 58.200 -0.048 0.000 1.337 773 S CB -1.353 61.830 63.200 -0.028 0.000 1.633 773 S HN 1.484 nan 8.310 nan 0.000 0.521 774 L N 0.707 121.872 121.223 -0.096 0.000 3.521 774 L HA -0.075 4.265 4.340 -0.001 0.000 0.653 774 L C -0.501 176.272 176.870 -0.161 0.000 1.077 774 L CA 1.540 56.298 54.840 -0.137 0.000 1.144 774 L CB -1.567 40.381 42.059 -0.185 0.000 1.447 774 L HN 0.921 nan 8.230 nan 0.000 0.811 775 L N 2.303 123.451 121.223 -0.125 0.000 2.331 775 L HA 0.898 5.237 4.340 -0.001 0.000 0.275 775 L C 0.105 176.900 176.870 -0.125 0.000 1.022 775 L CA -0.800 53.952 54.840 -0.146 0.000 0.812 775 L CB 1.620 43.652 42.059 -0.044 0.000 1.257 775 L HN 0.055 nan 8.230 nan 0.000 0.435 776 V N 3.542 123.361 119.914 -0.158 0.000 2.370 776 V HA 0.611 4.731 4.120 -0.001 0.000 0.257 776 V C 0.981 177.109 176.094 0.056 0.000 1.064 776 V CA 0.909 63.185 62.300 -0.038 0.000 0.975 776 V CB -0.656 31.196 31.823 0.048 0.000 1.067 776 V HN 1.206 nan 8.190 nan 0.000 0.485 777 G N 3.888 112.706 108.800 0.030 0.000 4.220 777 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.197 777 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.197 777 G C 0.356 175.264 174.900 0.013 0.000 1.518 777 G CA 0.195 45.317 45.100 0.036 0.000 0.955 777 G HN 0.579 nan 8.290 nan 0.000 0.353 778 S N 0.543 116.247 115.700 0.007 0.000 2.686 778 S HA 0.496 4.966 4.470 -0.001 0.000 0.270 778 S C 0.426 175.013 174.600 -0.022 0.000 1.194 778 S CA 0.252 58.449 58.200 -0.006 0.000 0.990 778 S CB 0.475 63.674 63.200 -0.003 0.000 1.029 778 S HN 0.833 nan 8.310 nan 0.000 0.560 779 N N 0.082 118.766 118.700 -0.026 0.000 2.671 779 N HA -0.172 4.567 4.740 -0.001 0.000 0.261 779 N C 0.184 175.671 175.510 -0.039 0.000 1.053 779 N CA 0.303 53.329 53.050 -0.040 0.000 0.732 779 N CB -1.192 37.258 38.487 -0.062 0.000 0.887 779 N HN 0.502 nan 8.380 nan 0.000 0.546 780 L N 0.423 121.632 121.223 -0.024 0.000 2.049 780 L HA -0.042 4.298 4.340 -0.001 0.000 0.203 780 L C 1.367 178.227 176.870 -0.017 0.000 1.074 780 L CA 1.032 55.862 54.840 -0.016 0.000 0.749 780 L CB 0.053 42.107 42.059 -0.009 0.000 0.907 780 L HN 0.448 nan 8.230 nan 0.000 0.439 781 E N 0.780 120.968 120.200 -0.019 0.000 2.366 781 E HA 0.247 4.596 4.350 -0.001 0.000 0.266 781 E C -0.918 175.676 176.600 -0.010 0.000 1.051 781 E CA -0.559 55.832 56.400 -0.016 0.000 0.884 781 E CB 1.369 31.054 29.700 -0.026 0.000 1.006 781 E HN 0.099 nan 8.360 nan 0.000 0.417 782 L N 3.696 124.931 121.223 0.021 0.000 2.345 782 L HA 0.339 4.678 4.340 -0.001 0.000 0.274 782 L C -1.485 175.462 176.870 0.130 0.000 0.999 782 L CA -0.739 54.115 54.840 0.024 0.000 0.849 782 L CB 1.084 43.124 42.059 -0.033 0.000 1.220 782 L HN 0.495 nan 8.230 nan 0.000 0.422 783 N N 4.393 123.171 118.700 0.131 0.000 2.411 783 N HA 0.527 5.267 4.740 -0.001 0.000 0.259 783 N C -0.420 175.247 175.510 0.262 0.000 1.103 783 N CA -0.085 53.054 53.050 0.149 0.000 0.954 783 N CB 1.600 40.137 38.487 0.085 0.000 1.085 783 N HN 0.634 nan 8.380 nan 0.000 0.485 784 A N 1.898 124.805 122.820 0.146 0.000 2.287 784 A HA 0.294 4.614 4.320 -0.001 0.000 0.317 784 A C 0.017 177.501 177.584 -0.168 0.000 1.220 784 A CA -0.749 51.241 52.037 -0.078 0.000 0.835 784 A CB 0.616 19.478 19.000 -0.230 0.000 1.180 784 A HN 0.638 nan 8.150 nan 0.000 0.500 785 E N 2.900 122.986 120.200 -0.190 0.000 2.028 785 E HA 0.384 4.733 4.350 -0.001 0.000 0.266 785 E C -1.298 175.158 176.600 -0.240 0.000 0.962 785 E CA -0.260 56.024 56.400 -0.193 0.000 0.784 785 E CB 0.948 30.576 29.700 -0.121 0.000 1.114 785 E HN 0.459 nan 8.360 nan 0.000 0.414 786 V N 6.403 126.080 119.914 -0.395 0.000 2.383 786 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 786 V C -0.242 175.562 176.094 -0.484 0.000 1.036 786 V CA -0.403 61.661 62.300 -0.394 0.000 0.889 786 V CB 1.325 32.863 31.823 -0.475 0.000 0.985 786 V HN 0.813 nan 8.190 nan 0.000 0.459 787 M N 6.706 126.064 119.600 -0.403 0.000 2.573 787 M HA 0.770 5.249 4.480 -0.001 0.000 0.309 787 M C -1.361 174.602 176.300 -0.561 0.000 1.202 787 M CA -0.388 54.637 55.300 -0.459 0.000 0.975 787 M CB 1.950 34.255 32.600 -0.491 0.000 1.600 787 M HN 0.568 nan 8.290 nan 0.000 0.479 788 V N 2.608 122.174 119.914 -0.580 0.000 3.147 788 V HA 0.547 4.667 4.120 -0.001 0.000 0.299 788 V C -1.908 174.016 176.094 -0.284 0.000 1.302 788 V CA -0.549 61.481 62.300 -0.449 0.000 1.015 788 V CB 2.440 34.183 31.823 -0.132 0.000 1.086 788 V HN 0.949 nan 8.190 nan 0.000 0.437 789 W N 2.458 123.889 121.300 0.218 0.000 2.703 789 W HA 0.567 5.227 4.660 -0.000 0.000 0.359 789 W C -0.155 176.462 176.519 0.164 0.000 1.168 789 W CA -0.629 56.831 57.345 0.192 0.000 1.177 789 W CB 1.624 31.120 29.460 0.061 0.000 1.434 789 W HN 0.644 nan 8.180 nan 0.000 0.618 790 N N 0.963 119.761 118.700 0.164 0.000 2.824 790 N HA 0.066 4.806 4.740 -0.001 0.000 0.224 790 N C -0.880 174.577 175.510 -0.088 0.000 1.418 790 N CA 0.013 52.965 53.050 -0.163 0.000 0.743 790 N CB -0.050 37.916 38.487 -0.869 0.000 1.395 790 N HN 0.103 nan 8.380 nan 0.000 0.548 791 D N 0.194 120.591 120.400 -0.005 0.000 2.336 791 D HA 0.272 4.912 4.640 -0.001 0.000 0.228 791 D C 0.818 177.101 176.300 -0.028 0.000 1.120 791 D CA 0.383 54.367 54.000 -0.026 0.000 0.839 791 D CB 0.438 41.209 40.800 -0.049 0.000 0.932 791 D HN 0.580 nan 8.370 nan 0.000 0.509 792 G N -0.471 108.309 108.800 -0.033 0.000 3.135 792 G HA2 0.316 4.275 3.960 -0.001 0.000 0.278 792 G HA3 0.316 4.275 3.960 -0.001 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 -0.009 0.000 0.880 792 G HN -0.062 nan 8.290 nan 0.000 0.574 793 E N 0.304 120.524 120.200 0.035 0.000 2.458 793 E HA 0.115 4.465 4.350 -0.001 0.000 0.264 793 E C -0.391 176.216 176.600 0.011 0.000 1.097 793 E CA 0.017 56.454 56.400 0.062 0.000 0.973 793 E CB 0.267 30.019 29.700 0.088 0.000 0.963 793 E HN 0.245 nan 8.360 nan 0.000 0.451 794 D N 1.319 121.726 120.400 0.012 0.000 2.450 794 D HA 0.050 4.689 4.640 -0.001 0.000 0.247 794 D C -0.586 175.726 176.300 0.020 0.000 1.162 794 D CA 0.285 54.245 54.000 -0.068 0.000 0.879 794 D CB 0.333 41.052 40.800 -0.136 0.000 1.163 794 D HN 0.344 nan 8.370 nan 0.000 0.472 795 S N 2.132 117.825 115.700 -0.012 0.000 2.475 795 S HA 0.294 4.764 4.470 -0.001 0.000 0.281 795 S C 0.294 174.946 174.600 0.086 0.000 1.198 795 S CA -0.555 57.717 58.200 0.119 0.000 1.063 795 S CB 0.826 64.124 63.200 0.164 0.000 0.972 795 S HN 0.342 nan 8.310 nan 0.000 0.486 796 Y N 3.339 123.696 120.300 0.096 0.000 2.226 796 Y HA 0.340 4.889 4.550 -0.001 0.000 0.281 796 Y C 2.413 178.363 175.900 0.084 0.000 1.107 796 Y CA 1.037 59.190 58.100 0.089 0.000 1.109 796 Y CB -0.666 37.838 38.460 0.072 0.000 1.047 796 Y HN 0.802 nan 8.280 nan 0.000 0.494 797 G N 0.067 109.025 108.800 0.263 0.000 3.530 797 G HA2 0.036 3.996 3.960 -0.001 0.000 0.269 797 G HA3 0.036 3.996 3.960 -0.001 0.000 0.269 797 G C 0.123 175.090 174.900 0.112 0.000 1.314 797 G CA -0.046 45.148 45.100 0.156 0.000 1.441 797 G HN 0.161 nan 8.290 nan 0.000 0.595 798 T N 1.246 115.869 114.554 0.115 0.000 2.891 798 T HA 0.279 4.628 4.350 -0.001 0.000 0.296 798 T C 0.879 175.593 174.700 0.023 0.000 1.025 798 T CA 0.890 63.046 62.100 0.093 0.000 1.149 798 T CB 0.141 69.093 68.868 0.140 0.000 1.007 798 T HN 0.466 nan 8.240 nan 0.000 0.528 799 T N 3.121 117.689 114.554 0.023 0.000 2.912 799 T HA 0.677 5.027 4.350 -0.001 0.000 0.288 799 T C -0.733 173.944 174.700 -0.038 0.000 1.030 799 T CA -1.071 61.018 62.100 -0.018 0.000 1.020 799 T CB 1.542 70.413 68.868 0.005 0.000 1.056 799 T HN 0.544 nan 8.240 nan 0.000 0.480 800 I N 2.709 123.228 120.570 -0.086 0.000 2.497 800 I HA 0.514 4.684 4.170 -0.001 0.000 0.284 800 I C -0.189 175.780 176.117 -0.246 0.000 1.060 800 I CA -0.204 61.008 61.300 -0.146 0.000 1.071 800 I CB 1.639 39.582 38.000 -0.094 0.000 1.216 800 I HN 1.080 nan 8.210 nan 0.000 0.442 801 T N 3.684 118.081 114.554 -0.262 0.000 2.888 801 T HA 0.752 5.101 4.350 -0.001 0.000 0.284 801 T C -0.510 173.988 174.700 -0.336 0.000 1.017 801 T CA -0.388 61.598 62.100 -0.189 0.000 1.022 801 T CB 1.035 69.882 68.868 -0.036 0.000 1.013 801 T HN 0.234 nan 8.240 nan 0.000 0.465 802 F N 1.096 121.116 119.950 0.117 0.000 2.538 802 F HA 0.645 5.172 4.527 -0.001 0.000 0.325 802 F C 0.747 176.619 175.800 0.120 0.000 1.066 802 F CA -0.890 57.185 58.000 0.124 0.000 0.946 802 F CB 2.348 41.428 39.000 0.133 0.000 1.199 802 F HN 0.820 nan 8.300 nan 0.000 0.473 803 S N 0.747 116.625 115.700 0.296 0.000 2.473 803 S HA 0.781 5.251 4.470 -0.001 0.000 0.307 803 S C -1.284 173.427 174.600 0.184 0.000 1.094 803 S CA -0.508 57.787 58.200 0.158 0.000 1.070 803 S CB 0.840 64.115 63.200 0.126 0.000 1.019 803 S HN 0.821 nan 8.310 nan 0.000 0.480 804 H N -0.069 119.095 119.070 0.156 0.000 3.046 804 H HA 0.744 5.300 4.556 -0.001 0.000 0.361 804 H C -3.364 172.149 175.328 0.309 0.000 1.235 804 H CA -2.009 54.119 56.048 0.133 0.000 1.146 804 H CB 0.692 30.447 29.762 -0.011 0.000 1.859 804 H HN 0.412 nan 8.280 nan 0.000 0.548 805 P HA 0.031 nan 4.420 nan 0.000 0.270 805 P C 0.641 178.263 177.300 0.537 0.000 1.223 805 P CA 0.203 63.493 63.100 0.316 0.000 0.785 805 P CB 0.856 32.675 31.700 0.199 0.000 0.923 806 A N 2.619 125.600 122.820 0.267 0.000 2.042 806 A HA -0.143 4.176 4.320 -0.001 0.000 0.222 806 A C 2.155 180.001 177.584 0.436 0.000 1.167 806 A CA 2.034 54.184 52.037 0.189 0.000 0.649 806 A CB -1.808 17.072 19.000 -0.200 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 0.322 0.000 2.916 807 G HA2 0.348 4.308 3.960 -0.001 0.000 0.205 807 G HA3 0.348 4.308 3.960 -0.001 0.000 0.205 807 G C 0.170 175.218 174.900 0.247 0.000 1.163 807 G CA 0.905 46.151 45.100 0.243 0.000 0.821 807 G HN 0.973 nan 8.290 nan 0.000 0.515 808 L N -4.496 116.936 121.223 0.348 0.000 2.794 808 L HA 0.841 5.181 4.340 -0.001 0.000 0.261 808 L C -0.716 176.237 176.870 0.139 0.000 0.989 808 L CA -1.005 53.961 54.840 0.209 0.000 0.900 808 L CB 1.363 43.487 42.059 0.108 0.000 1.473 808 L HN -0.180 nan 8.230 nan 0.000 0.414 809 S N -0.751 114.994 115.700 0.076 0.000 2.685 809 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 809 S C -1.724 172.757 174.600 -0.198 0.000 1.159 809 S CA -0.628 57.535 58.200 -0.062 0.000 0.833 809 S CB 1.430 64.616 63.200 -0.024 0.000 1.151 809 S HN 0.760 nan 8.310 nan 0.000 0.485 810 Y N 2.784 122.762 120.300 -0.537 0.000 2.304 810 Y HA 0.574 5.124 4.550 -0.001 0.000 0.328 810 Y C 0.167 175.842 175.900 -0.375 0.000 1.123 810 Y CA -0.464 57.158 58.100 -0.797 0.000 1.218 810 Y CB 0.550 38.533 38.460 -0.796 0.000 1.207 810 Y HN 0.661 nan 8.280 nan 0.000 0.495 811 R N 5.201 125.028 120.500 -1.122 0.000 2.621 811 R HA 0.316 4.656 4.340 -0.001 0.000 0.292 811 R C -1.816 173.803 176.300 -1.136 0.000 0.969 811 R CA -0.929 54.662 56.100 -0.849 0.000 0.887 811 R CB 0.962 31.015 30.300 -0.413 0.000 1.180 811 R HN 0.706 nan 8.270 nan 0.000 0.450 812 Y N 2.901 122.735 120.300 -0.777 0.000 2.702 812 Y HA -0.046 4.503 4.550 -0.001 0.000 0.336 812 Y C 0.811 176.545 175.900 -0.277 0.000 1.235 812 Y CA 0.426 58.270 58.100 -0.427 0.000 1.492 812 Y CB 0.981 39.339 38.460 -0.170 0.000 1.308 812 Y HN 0.516 nan 8.280 nan 0.000 0.589 813 V N 4.602 124.069 119.914 -0.744 0.000 2.374 813 V HA 0.018 4.138 4.120 -0.001 0.000 0.241 813 V C 1.262 177.105 176.094 -0.418 0.000 1.034 813 V CA 1.029 63.044 62.300 -0.474 0.000 1.037 813 V CB -1.319 30.297 31.823 -0.345 0.000 0.682 813 V HN 1.160 nan 8.190 nan 0.000 0.463 814 A N 0.605 122.990 122.820 -0.724 0.000 2.667 814 A HA -0.200 4.120 4.320 -0.001 0.000 0.298 814 A C 0.268 177.821 177.584 -0.051 0.000 1.483 814 A CA 0.745 52.711 52.037 -0.120 0.000 0.738 814 A CB -1.742 17.416 19.000 0.263 0.000 1.067 814 A HN 0.547 nan 8.150 nan 0.000 0.451 815 E N -1.513 118.631 120.200 -0.093 0.000 2.227 815 E HA 0.666 5.016 4.350 -0.001 0.000 0.268 815 E C 1.109 177.704 176.600 -0.008 0.000 0.990 815 E CA 0.336 56.711 56.400 -0.041 0.000 0.856 815 E CB 1.785 31.453 29.700 -0.054 0.000 1.159 815 E HN 0.892 nan 8.360 nan 0.000 0.401 816 G N 0.414 109.215 108.800 0.003 0.000 4.170 816 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.143 816 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.143 816 G C 0.766 175.674 174.900 0.013 0.000 1.261 816 G CA -0.014 45.096 45.100 0.016 0.000 1.043 816 G HN 0.439 nan 8.290 nan 0.000 0.382 817 Q N 0.607 120.414 119.800 0.012 0.000 2.274 817 Q HA -0.203 4.136 4.340 -0.001 0.000 0.217 817 Q C 0.008 176.014 176.000 0.010 0.000 1.008 817 Q CA 1.922 57.731 55.803 0.012 0.000 0.925 817 Q CB -0.391 28.352 28.738 0.009 0.000 0.957 817 Q HN 0.663 nan 8.270 nan 0.000 0.416 818 K N -1.259 119.146 120.400 0.008 0.000 2.323 818 K HA 0.284 4.604 4.320 -0.001 0.000 0.360 818 K C -1.592 175.011 176.600 0.005 0.000 1.549 818 K CA -0.170 56.121 56.287 0.008 0.000 1.091 818 K CB 0.170 32.675 32.500 0.008 0.000 1.414 818 K HN -0.076 nan 8.250 nan 0.000 0.485 819 Q N 0.941 120.743 119.800 0.004 0.000 2.320 819 Q HA 0.765 5.104 4.340 -0.001 0.000 0.272 819 Q C -0.732 175.269 176.000 0.001 0.000 1.023 819 Q CA -0.973 54.831 55.803 0.001 0.000 0.855 819 Q CB 2.788 31.525 28.738 -0.002 0.000 1.367 819 Q HN 0.849 nan 8.270 nan 0.000 0.406 820 G N 0.871 109.671 108.800 0.000 0.000 2.345 820 G HA2 0.048 4.007 3.960 -0.001 0.000 0.310 820 G HA3 0.048 4.007 3.960 -0.001 0.000 0.310 820 G C -1.409 173.490 174.900 -0.001 0.000 1.476 820 G CA -0.741 44.358 45.100 -0.002 0.000 0.978 820 G HN 0.437 nan 8.290 nan 0.000 0.656 821 Q N -0.289 119.508 119.800 -0.005 0.000 2.233 821 Q HA 0.462 4.802 4.340 -0.001 0.000 0.340 821 Q C -0.114 175.880 176.000 -0.010 0.000 0.899 821 Q CA -0.246 55.554 55.803 -0.005 0.000 1.139 821 Q CB 1.098 29.831 28.738 -0.008 0.000 1.273 821 Q HN 0.466 nan 8.270 nan 0.000 0.431 822 L N -1.290 119.930 121.223 -0.005 0.000 2.532 822 L HA 0.517 4.857 4.340 -0.001 0.000 0.245 822 L C -0.685 176.192 176.870 0.012 0.000 1.319 822 L CA -0.885 53.952 54.840 -0.005 0.000 1.365 822 L CB 0.917 42.971 42.059 -0.009 0.000 1.736 822 L HN 0.045 nan 8.230 nan 0.000 0.517 823 R N -0.496 120.017 120.500 0.022 0.000 2.679 823 R HA 0.318 4.658 4.340 -0.001 0.000 0.268 823 R C -0.514 175.800 176.300 0.024 0.000 1.044 823 R CA 1.161 57.287 56.100 0.044 0.000 1.105 823 R CB 0.436 30.763 30.300 0.046 0.000 0.989 823 R HN 0.654 nan 8.270 nan 0.000 0.447 824 S N 2.961 118.676 115.700 0.025 0.000 2.822 824 S HA 0.207 4.676 4.470 -0.001 0.000 0.251 824 S C -0.989 173.635 174.600 0.040 0.000 0.946 824 S CA -0.522 57.695 58.200 0.029 0.000 1.377 824 S CB 0.479 63.692 63.200 0.022 0.000 1.230 824 S HN 0.438 nan 8.310 nan 0.000 0.671 825 L N 2.743 123.983 121.223 0.028 0.000 2.343 825 L HA 0.480 4.820 4.340 -0.001 0.000 0.278 825 L C -0.229 176.668 176.870 0.045 0.000 0.996 825 L CA -0.640 54.194 54.840 -0.011 0.000 0.831 825 L CB 1.093 43.085 42.059 -0.112 0.000 1.232 825 L HN 0.297 nan 8.230 nan 0.000 0.413 826 H N 5.650 124.705 119.070 -0.026 0.000 2.944 826 H HA 0.409 4.965 4.556 -0.001 0.000 0.278 826 H C -1.266 174.005 175.328 -0.096 0.000 1.083 826 H CA -0.334 55.736 56.048 0.037 0.000 1.479 826 H CB 0.809 30.669 29.762 0.162 0.000 1.486 826 H HN 0.461 nan 8.280 nan 0.000 0.493 827 L N 2.715 123.763 121.223 -0.290 0.000 2.388 827 L HA 0.508 4.847 4.340 -0.001 0.000 0.264 827 L C -0.519 176.204 176.870 -0.245 0.000 0.998 827 L CA -0.882 53.800 54.840 -0.263 0.000 0.817 827 L CB 1.940 43.815 42.059 -0.306 0.000 1.338 827 L HN 0.238 nan 8.230 nan 0.000 0.414 828 T N 1.114 115.570 114.554 -0.163 0.000 2.758 828 T HA 0.597 4.947 4.350 -0.001 0.000 0.285 828 T C -0.689 173.971 174.700 -0.066 0.000 0.981 828 T CA -0.184 61.859 62.100 -0.095 0.000 0.965 828 T CB 0.549 69.400 68.868 -0.028 0.000 0.927 828 T HN 0.742 nan 8.240 nan 0.000 0.448 829 c N 3.166 121.747 118.600 -0.032 0.000 2.417 829 c HA 0.690 5.260 4.570 -0.001 0.000 0.324 829 c C -0.447 173.663 174.090 0.033 0.000 1.240 829 c CA -1.005 55.304 56.329 -0.034 0.000 1.632 829 c CB 1.019 43.449 42.510 -0.134 0.000 2.241 829 c HN 0.766 nan 8.230 nan 0.000 0.499 830 D N 1.615 122.037 120.400 0.037 0.000 2.542 830 D HA 0.346 4.985 4.640 -0.001 0.000 0.252 830 D C -0.140 176.190 176.300 0.050 0.000 1.222 830 D CA 0.110 54.147 54.000 0.062 0.000 0.895 830 D CB 1.760 42.610 40.800 0.083 0.000 1.207 830 D HN 0.680 nan 8.370 nan 0.000 0.558 831 S N 0.853 116.571 115.700 0.029 0.000 2.600 831 S HA 0.819 5.289 4.470 -0.001 0.000 0.265 831 S C 0.032 174.640 174.600 0.013 0.000 1.325 831 S CA -0.561 57.609 58.200 -0.049 0.000 1.002 831 S CB 1.599 64.706 63.200 -0.156 0.000 0.921 831 S HN 0.619 nan 8.310 nan 0.000 0.554 832 A N 1.264 124.083 122.820 -0.003 0.000 2.580 832 A HA 0.629 4.949 4.320 -0.001 0.000 0.301 832 A C -3.317 174.516 177.584 0.415 0.000 1.054 832 A CA -1.298 50.866 52.037 0.211 0.000 0.751 832 A CB 0.714 19.805 19.000 0.151 0.000 1.275 832 A HN 0.642 nan 8.150 nan 0.000 0.403 833 P HA 0.416 nan 4.420 nan 0.000 0.276 833 P C 0.089 177.566 177.300 0.295 0.000 1.235 833 P CA 0.089 63.512 63.100 0.538 0.000 0.772 833 P CB 1.497 33.373 31.700 0.292 0.000 0.871 834 V N 3.196 123.266 119.914 0.260 0.000 3.671 834 V HA 0.278 4.398 4.120 -0.001 0.000 0.202 834 V C 1.559 177.711 176.094 0.097 0.000 1.188 834 V CA 1.071 63.463 62.300 0.154 0.000 1.325 834 V CB -0.976 30.932 31.823 0.141 0.000 1.470 834 V HN 0.674 nan 8.190 nan 0.000 0.520 835 G N -0.336 108.517 108.800 0.088 0.000 2.750 835 G HA2 0.138 4.097 3.960 -0.001 0.000 0.250 835 G HA3 0.138 4.097 3.960 -0.001 0.000 0.250 835 G C 1.280 176.197 174.900 0.028 0.000 1.230 835 G CA 0.716 45.847 45.100 0.051 0.000 0.883 835 G HN 0.322 nan 8.290 nan 0.000 0.573 836 S N -0.976 114.734 115.700 0.017 0.000 2.365 836 S HA -0.155 4.315 4.470 -0.001 0.000 0.221 836 S C 1.200 175.799 174.600 -0.003 0.000 1.037 836 S CA 2.066 60.270 58.200 0.007 0.000 1.060 836 S CB -0.240 62.962 63.200 0.005 0.000 0.974 836 S HN 0.613 nan 8.310 nan 0.000 0.427 837 Q N -0.833 118.962 119.800 -0.008 0.000 3.021 837 Q HA 0.468 4.807 4.340 -0.001 0.000 0.234 837 Q C -0.166 175.814 176.000 -0.034 0.000 0.930 837 Q CA 0.198 55.986 55.803 -0.024 0.000 0.714 837 Q CB 0.758 29.486 28.738 -0.016 0.000 1.325 837 Q HN 0.635 nan 8.270 nan 0.000 0.473 838 G N 1.097 109.856 108.800 -0.069 0.000 3.826 838 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.194 838 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.194 838 G C 0.171 174.998 174.900 -0.122 0.000 2.087 838 G CA 0.017 45.061 45.100 -0.093 0.000 1.230 838 G HN 0.600 nan 8.290 nan 0.000 0.393 839 T N -0.243 114.311 114.554 -0.001 0.000 2.766 839 T HA 0.573 4.923 4.350 -0.001 0.000 0.295 839 T C -0.050 174.783 174.700 0.222 0.000 1.024 839 T CA 0.867 63.037 62.100 0.116 0.000 1.018 839 T CB 1.400 70.333 68.868 0.109 0.000 1.002 839 T HN 1.886 nan 8.240 nan 0.000 0.532 840 W N -1.219 119.972 121.300 -0.182 0.000 3.173 840 W HA 0.601 5.260 4.660 -0.001 0.000 0.313 840 W C -1.599 174.751 176.519 -0.281 0.000 1.228 840 W CA -1.358 55.889 57.345 -0.164 0.000 1.185 840 W CB 0.535 29.946 29.460 -0.081 0.000 1.390 840 W HN 0.834 nan 8.180 nan 0.000 0.568 841 S N 1.088 116.771 115.700 -0.029 0.000 2.451 841 S HA 0.723 5.192 4.470 -0.001 0.000 0.301 841 S C -0.368 174.224 174.600 -0.013 0.000 1.116 841 S CA -0.020 58.162 58.200 -0.031 0.000 1.093 841 S CB 0.620 63.854 63.200 0.057 0.000 1.017 841 S HN 0.697 nan 8.310 nan 0.000 0.482 842 T N 2.077 116.723 114.554 0.154 0.000 2.947 842 T HA 0.502 4.852 4.350 -0.001 0.000 0.337 842 T C 0.209 175.019 174.700 0.184 0.000 1.139 842 T CA -0.778 61.428 62.100 0.177 0.000 0.992 842 T CB 0.237 69.273 68.868 0.280 0.000 1.043 842 T HN 0.606 nan 8.240 nan 0.000 0.498 843 S N 1.512 117.265 115.700 0.088 0.000 2.592 843 S HA 0.545 5.015 4.470 -0.001 0.000 0.271 843 S C -0.052 174.551 174.600 0.005 0.000 1.326 843 S CA -0.805 57.422 58.200 0.045 0.000 1.024 843 S CB 0.509 63.730 63.200 0.034 0.000 0.921 843 S HN 0.846 nan 8.310 nan 0.000 0.527 844 c N 2.839 121.415 118.600 -0.039 0.000 3.171 844 c HA 0.428 4.997 4.570 -0.001 0.000 0.336 844 c C 0.096 174.111 174.090 -0.126 0.000 1.035 844 c CA -0.894 55.373 56.329 -0.104 0.000 1.361 844 c CB -0.309 42.107 42.510 -0.157 0.000 1.804 844 c HN 1.044 nan 8.230 nan 0.000 0.535 845 R N 2.185 122.633 120.500 -0.087 0.000 2.267 845 R HA 0.543 4.883 4.340 -0.001 0.000 0.319 845 R C -0.417 175.806 176.300 -0.127 0.000 1.067 845 R CA -0.300 55.753 56.100 -0.077 0.000 0.936 845 R CB 0.621 30.914 30.300 -0.012 0.000 1.006 845 R HN 0.690 nan 8.270 nan 0.000 0.452 846 I N 4.472 124.935 120.570 -0.179 0.000 2.849 846 I HA -0.180 3.990 4.170 -0.001 0.000 0.288 846 I C 1.258 177.293 176.117 -0.137 0.000 1.156 846 I CA 0.113 61.276 61.300 -0.228 0.000 1.394 846 I CB -0.345 37.489 38.000 -0.277 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.199 123.829 118.700 -0.115 0.000 2.002 847 N HA -0.243 4.497 4.740 -0.001 0.000 0.199 847 N C 1.039 176.572 175.510 0.039 0.000 1.067 847 N CA 1.952 55.008 53.050 0.009 0.000 0.870 847 N CB -0.086 38.498 38.487 0.161 0.000 1.073 847 N HN 0.721 nan 8.380 nan 0.000 0.432 848 H N -1.029 118.089 119.070 0.080 0.000 2.412 848 H HA 0.585 5.141 4.556 -0.001 0.000 0.239 848 H C -0.732 174.621 175.328 0.041 0.000 1.388 848 H CA -0.860 55.221 56.048 0.056 0.000 1.148 848 H CB -0.447 29.333 29.762 0.031 0.000 1.637 848 H HN 0.209 nan 8.280 nan 0.000 0.542 849 L N -2.764 118.480 121.223 0.035 0.000 3.207 849 L HA 0.464 4.803 4.340 -0.001 0.000 0.286 849 L C -1.533 175.347 176.870 0.016 0.000 0.968 849 L CA -1.292 53.580 54.840 0.053 0.000 1.023 849 L CB 0.710 42.800 42.059 0.052 0.000 1.564 849 L HN 0.067 nan 8.230 nan 0.000 0.384 850 I N 0.825 121.393 120.570 -0.003 0.000 2.664 850 I HA 0.459 4.628 4.170 -0.001 0.000 0.308 850 I C -1.056 175.086 176.117 0.041 0.000 0.984 850 I CA -0.246 61.008 61.300 -0.076 0.000 1.213 850 I CB 1.655 39.508 38.000 -0.245 0.000 1.379 850 I HN 0.615 nan 8.210 nan 0.000 0.501 851 F N 4.990 124.834 119.950 -0.177 0.000 2.434 851 F HA 0.484 5.011 4.527 -0.000 0.000 0.367 851 F C -0.019 175.713 175.800 -0.114 0.000 1.093 851 F CA -0.680 57.255 58.000 -0.108 0.000 1.085 851 F CB 0.374 39.334 39.000 -0.066 0.000 1.322 851 F HN 0.428 nan 8.300 nan 0.000 0.452 852 R N 2.990 123.387 120.500 -0.171 0.000 2.782 852 R HA 0.659 4.998 4.340 -0.001 0.000 0.258 852 R C 0.577 176.717 176.300 -0.265 0.000 1.055 852 R CA -0.160 55.803 56.100 -0.228 0.000 1.065 852 R CB 1.384 31.606 30.300 -0.131 0.000 1.172 852 R HN 0.826 nan 8.270 nan 0.000 0.510 853 G N 0.256 108.944 108.800 -0.188 0.000 2.586 853 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.308 853 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.308 853 G C 0.545 175.344 174.900 -0.168 0.000 1.317 853 G CA -0.016 45.002 45.100 -0.137 0.000 0.922 853 G HN 0.785 nan 8.290 nan 0.000 0.551 854 G N 0.012 108.760 108.800 -0.088 0.000 3.374 854 G HA2 0.609 4.568 3.960 -0.001 0.000 0.252 854 G HA3 0.609 4.568 3.960 -0.001 0.000 0.252 854 G C 0.603 175.497 174.900 -0.010 0.000 1.326 854 G CA 1.312 46.384 45.100 -0.047 0.000 1.133 854 G HN 1.692 nan 8.290 nan 0.000 0.528 855 A N 0.498 123.279 122.820 -0.065 0.000 2.363 855 A HA 0.607 4.926 4.320 -0.001 0.000 0.270 855 A C 0.381 178.071 177.584 0.177 0.000 1.121 855 A CA -0.554 51.509 52.037 0.044 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 1.291 121.222 119.800 0.218 0.000 2.248 856 Q HA 0.808 5.148 4.340 -0.001 0.000 0.263 856 Q C -0.719 175.381 176.000 0.167 0.000 1.007 856 Q CA -0.728 55.208 55.803 0.222 0.000 0.877 856 Q CB 1.648 30.416 28.738 0.049 0.000 1.315 856 Q HN 0.850 nan 8.270 nan 0.000 0.454 857 I N -1.907 118.683 120.570 0.033 0.000 2.752 857 I HA 0.619 4.789 4.170 -0.001 0.000 0.295 857 I C -1.212 174.847 176.117 -0.096 0.000 1.219 857 I CA -0.823 60.446 61.300 -0.052 0.000 1.030 857 I CB 2.731 40.644 38.000 -0.145 0.000 1.259 857 I HN 0.778 nan 8.210 nan 0.000 0.423 858 T N 2.198 116.718 114.554 -0.057 0.000 2.824 858 T HA 0.796 5.146 4.350 -0.001 0.000 0.282 858 T C -0.718 173.991 174.700 0.016 0.000 0.993 858 T CA -0.545 61.496 62.100 -0.098 0.000 0.967 858 T CB 1.432 70.222 68.868 -0.131 0.000 0.960 858 T HN 0.707 nan 8.240 nan 0.000 0.441 859 F N 0.995 120.878 119.950 -0.111 0.000 2.640 859 F HA 0.840 5.367 4.527 -0.001 0.000 0.324 859 F C -1.688 174.075 175.800 -0.062 0.000 1.077 859 F CA -1.975 55.973 58.000 -0.088 0.000 0.965 859 F CB 1.498 40.439 39.000 -0.099 0.000 1.351 859 F HN 0.670 nan 8.300 nan 0.000 0.487 860 L N 2.227 123.507 121.223 0.095 0.000 2.313 860 L HA 0.877 5.217 4.340 -0.001 0.000 0.283 860 L C -1.045 175.907 176.870 0.137 0.000 1.013 860 L CA -0.763 54.076 54.840 -0.002 0.000 0.816 860 L CB 1.415 43.469 42.059 -0.009 0.000 1.236 860 L HN 1.034 nan 8.230 nan 0.000 0.419 861 A N 3.289 126.160 122.820 0.085 0.000 2.335 861 A HA 0.719 5.038 4.320 -0.001 0.000 0.304 861 A C -0.616 177.060 177.584 0.153 0.000 1.118 861 A CA -0.398 51.763 52.037 0.208 0.000 0.757 861 A CB 1.473 20.555 19.000 0.137 0.000 1.188 861 A HN 0.602 nan 8.150 nan 0.000 0.460 862 T N 2.244 116.849 114.554 0.086 0.000 2.823 862 T HA 0.625 4.975 4.350 -0.001 0.000 0.279 862 T C -1.131 173.468 174.700 -0.169 0.000 0.998 862 T CA 0.147 62.255 62.100 0.013 0.000 0.994 862 T CB 0.249 69.074 68.868 -0.072 0.000 0.960 862 T HN 0.330 nan 8.240 nan 0.000 0.448 863 F N 2.237 122.135 119.950 -0.086 0.000 2.427 863 F HA 0.333 4.859 4.527 -0.001 0.000 0.348 863 F C 0.524 176.258 175.800 -0.110 0.000 1.125 863 F CA -1.341 56.585 58.000 -0.123 0.000 0.989 863 F CB 0.996 39.889 39.000 -0.179 0.000 1.165 863 F HN 0.383 nan 8.300 nan 0.000 0.442 864 D N 2.243 122.646 120.400 0.005 0.000 2.424 864 D HA 0.179 4.819 4.640 -0.001 0.000 0.244 864 D C -0.493 175.838 176.300 0.052 0.000 1.134 864 D CA 0.388 54.392 54.000 0.007 0.000 0.881 864 D CB 1.865 42.650 40.800 -0.025 0.000 1.191 864 D HN 0.268 nan 8.370 nan 0.000 0.445 865 V N 1.994 121.932 119.914 0.039 0.000 2.604 865 V HA 0.329 4.449 4.120 -0.001 0.000 0.305 865 V C -0.083 176.043 176.094 0.053 0.000 1.043 865 V CA -0.628 61.702 62.300 0.051 0.000 0.888 865 V CB 1.894 33.726 31.823 0.016 0.000 0.995 865 V HN 0.685 nan 8.190 nan 0.000 0.429 866 S N 6.506 122.254 115.700 0.080 0.000 2.576 866 S HA 0.396 4.865 4.470 -0.001 0.000 0.276 866 S C -1.787 172.861 174.600 0.079 0.000 1.339 866 S CA -0.672 57.576 58.200 0.081 0.000 1.039 866 S CB 1.198 64.458 63.200 0.100 0.000 0.902 866 S HN 0.668 nan 8.310 nan 0.000 0.516 867 P HA 0.014 nan 4.420 nan 0.000 0.220 867 P C 0.306 177.674 177.300 0.114 0.000 1.148 867 P CA 1.095 64.243 63.100 0.080 0.000 0.803 867 P CB 0.083 31.820 31.700 0.062 0.000 0.782 868 K N -0.001 120.465 120.400 0.110 0.000 3.045 868 K HA 0.450 4.769 4.320 -0.001 0.000 0.214 868 K C -0.631 176.048 176.600 0.131 0.000 1.213 868 K CA -0.563 55.795 56.287 0.119 0.000 1.111 868 K CB -0.269 32.286 32.500 0.092 0.000 1.454 868 K HN -0.134 nan 8.250 nan 0.000 0.498 869 A N 2.031 124.952 122.820 0.168 0.000 2.437 869 A HA 0.236 4.556 4.320 -0.001 0.000 0.303 869 A C -0.111 177.591 177.584 0.198 0.000 1.324 869 A CA -0.505 51.633 52.037 0.167 0.000 0.983 869 A CB 0.250 19.337 19.000 0.146 0.000 1.142 869 A HN 0.284 nan 8.150 nan 0.000 0.541 870 V N 4.698 124.693 119.914 0.135 0.000 2.421 870 V HA 0.348 4.468 4.120 -0.001 0.000 0.271 870 V C -0.070 176.097 176.094 0.121 0.000 1.031 870 V CA 0.489 62.853 62.300 0.108 0.000 1.032 870 V CB -0.725 31.135 31.823 0.061 0.000 1.009 870 V HN 0.842 nan 8.190 nan 0.000 0.477 871 L N 3.585 124.900 121.223 0.153 0.000 2.672 871 L HA 0.875 5.215 4.340 -0.001 0.000 0.256 871 L C 0.139 177.100 176.870 0.151 0.000 0.946 871 L CA -0.439 54.483 54.840 0.138 0.000 0.889 871 L CB 0.884 43.024 42.059 0.135 0.000 1.441 871 L HN 0.516 nan 8.230 nan 0.000 0.418 872 G N 0.366 109.226 108.800 0.100 0.000 2.794 872 G HA2 0.213 4.172 3.960 -0.001 0.000 0.249 872 G HA3 0.213 4.172 3.960 -0.001 0.000 0.249 872 G C 0.456 175.422 174.900 0.109 0.000 1.236 872 G CA 0.428 45.579 45.100 0.084 0.000 0.880 872 G HN 1.093 nan 8.290 nan 0.000 0.586 873 D N -1.289 119.161 120.400 0.082 0.000 2.384 873 D HA -0.075 4.565 4.640 -0.001 0.000 0.222 873 D C 0.848 177.172 176.300 0.040 0.000 0.976 873 D CA 0.810 54.857 54.000 0.079 0.000 0.915 873 D CB 0.087 40.911 40.800 0.041 0.000 0.896 873 D HN 0.390 nan 8.370 nan 0.000 0.523 874 R N -0.357 120.164 120.500 0.036 0.000 2.698 874 R HA 0.580 4.920 4.340 -0.001 0.000 0.275 874 R C -1.173 175.142 176.300 0.025 0.000 1.001 874 R CA -1.103 55.007 56.100 0.017 0.000 0.896 874 R CB 2.000 32.309 30.300 0.016 0.000 1.218 874 R HN 0.059 nan 8.270 nan 0.000 0.462 875 L N 0.771 122.001 121.223 0.012 0.000 2.376 875 L HA 0.597 4.937 4.340 -0.001 0.000 0.275 875 L C -0.895 176.000 176.870 0.041 0.000 0.987 875 L CA -0.907 53.950 54.840 0.027 0.000 0.828 875 L CB 1.402 43.466 42.059 0.009 0.000 1.249 875 L HN 0.522 nan 8.230 nan 0.000 0.409 876 L N 2.944 124.205 121.223 0.062 0.000 2.358 876 L HA 1.002 5.342 4.340 -0.001 0.000 0.268 876 L C -0.754 176.187 176.870 0.118 0.000 1.032 876 L CA -0.841 54.049 54.840 0.083 0.000 0.805 876 L CB 1.616 43.712 42.059 0.062 0.000 1.253 876 L HN 0.797 nan 8.230 nan 0.000 0.452 877 L N -1.559 119.765 121.223 0.169 0.000 2.545 877 L HA 0.932 5.272 4.340 -0.001 0.000 0.258 877 L C -0.253 176.810 176.870 0.321 0.000 0.942 877 L CA -0.151 54.815 54.840 0.209 0.000 0.855 877 L CB 1.423 43.569 42.059 0.144 0.000 1.374 877 L HN 0.997 nan 8.230 nan 0.000 0.411 878 T N -0.988 113.755 114.554 0.314 0.000 2.807 878 T HA 0.983 5.332 4.350 -0.001 0.000 0.277 878 T C -0.367 174.590 174.700 0.430 0.000 1.006 878 T CA -0.391 61.919 62.100 0.351 0.000 1.006 878 T CB 1.887 70.870 68.868 0.192 0.000 1.274 878 T HN 1.801 nan 8.240 nan 0.000 0.569 879 A N 1.821 124.849 122.820 0.347 0.000 2.684 879 A HA 0.579 4.899 4.320 -0.001 0.000 0.289 879 A C -0.876 176.748 177.584 0.067 0.000 1.139 879 A CA -0.906 51.196 52.037 0.107 0.000 0.793 879 A CB 0.111 19.255 19.000 0.239 0.000 1.334 879 A HN 0.681 nan 8.150 nan 0.000 0.408 880 N N 0.597 119.296 118.700 -0.002 0.000 2.497 880 N HA 0.363 5.103 4.740 -0.001 0.000 0.268 880 N C -0.563 174.941 175.510 -0.010 0.000 1.171 880 N CA 0.072 53.135 53.050 0.020 0.000 0.948 880 N CB 1.818 40.318 38.487 0.021 0.000 1.069 880 N HN 0.483 nan 8.380 nan 0.000 0.460 881 V N 1.351 121.290 119.914 0.041 0.000 2.588 881 V HA 0.799 4.918 4.120 -0.001 0.000 0.304 881 V C -0.635 175.504 176.094 0.075 0.000 1.042 881 V CA -0.240 62.090 62.300 0.049 0.000 0.877 881 V CB 1.309 33.183 31.823 0.084 0.000 0.996 881 V HN 0.927 nan 8.190 nan 0.000 0.425 882 S N 3.854 119.597 115.700 0.073 0.000 2.643 882 S HA 0.713 5.182 4.470 -0.001 0.000 0.270 882 S C -0.374 174.284 174.600 0.097 0.000 1.166 882 S CA -0.093 58.157 58.200 0.083 0.000 0.815 882 S CB 1.587 64.826 63.200 0.066 0.000 1.139 882 S HN 1.630 nan 8.310 nan 0.000 0.472 883 S N -0.213 115.548 115.700 0.102 0.000 2.681 883 S HA 0.405 4.874 4.470 -0.001 0.000 0.270 883 S C 0.959 175.626 174.600 0.112 0.000 1.209 883 S CA -0.051 58.222 58.200 0.121 0.000 0.988 883 S CB 0.659 63.934 63.200 0.125 0.000 1.006 883 S HN 0.961 nan 8.310 nan 0.000 0.558 884 E N 0.665 120.947 120.200 0.136 0.000 2.160 884 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 884 E C 0.320 176.984 176.600 0.108 0.000 0.991 884 E CA 1.083 57.559 56.400 0.128 0.000 0.810 884 E CB -0.305 29.491 29.700 0.160 0.000 0.742 884 E HN 0.606 nan 8.360 nan 0.000 0.466 885 N N 2.024 120.786 118.700 0.105 0.000 2.482 885 N HA -0.005 4.735 4.740 -0.001 0.000 0.220 885 N C -0.578 174.970 175.510 0.062 0.000 1.255 885 N CA 0.153 53.249 53.050 0.077 0.000 0.850 885 N CB -0.416 38.113 38.487 0.070 0.000 1.127 885 N HN 0.194 nan 8.380 nan 0.000 0.475 886 N N -0.661 118.080 118.700 0.068 0.000 5.925 886 N HA -0.190 4.550 4.740 -0.001 0.000 0.361 886 N C -0.331 175.210 175.510 0.051 0.000 0.922 886 N CA 1.340 54.425 53.050 0.058 0.000 1.177 886 N CB -0.855 37.663 38.487 0.052 0.000 0.806 886 N HN 0.347 nan 8.380 nan 0.000 0.456 887 T N -2.262 112.318 114.554 0.043 0.000 3.149 887 T HA 0.570 4.919 4.350 -0.001 0.000 0.373 887 T C -1.901 172.816 174.700 0.028 0.000 1.364 887 T CA -1.298 60.825 62.100 0.038 0.000 1.110 887 T CB 1.307 70.198 68.868 0.039 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.087 nan 4.420 nan 0.000 0.228 888 P C 0.660 177.966 177.300 0.010 0.000 1.151 888 P CA 0.585 63.694 63.100 0.014 0.000 0.770 888 P CB 0.364 32.069 31.700 0.008 0.000 0.786 889 R N -2.767 117.741 120.500 0.013 0.000 3.404 889 R HA 0.416 4.755 4.340 -0.001 0.000 0.243 889 R C 0.992 177.299 176.300 0.012 0.000 1.474 889 R CA -0.500 55.605 56.100 0.009 0.000 1.018 889 R CB -0.217 30.085 30.300 0.004 0.000 1.568 889 R HN -0.320 nan 8.270 nan 0.000 0.498 890 T N 0.323 114.883 114.554 0.009 0.000 3.139 890 T HA -0.022 4.328 4.350 -0.001 0.000 0.226 890 T C 0.692 175.401 174.700 0.014 0.000 1.010 890 T CA 0.446 62.552 62.100 0.010 0.000 1.487 890 T CB -0.325 68.546 68.868 0.005 0.000 1.204 890 T HN 0.328 nan 8.240 nan 0.000 0.437 891 S N 2.839 118.547 115.700 0.013 0.000 2.430 891 S HA 0.173 4.643 4.470 -0.001 0.000 0.282 891 S C -0.059 174.557 174.600 0.026 0.000 1.186 891 S CA -0.694 57.516 58.200 0.017 0.000 1.060 891 S CB -0.222 62.986 63.200 0.013 0.000 0.966 891 S HN 0.110 nan 8.310 nan 0.000 0.501 892 K N 3.026 123.445 120.400 0.032 0.000 2.380 892 K HA 0.049 4.369 4.320 -0.001 0.000 0.267 892 K C 0.638 177.271 176.600 0.055 0.000 0.990 892 K CA 0.056 56.370 56.287 0.044 0.000 0.946 892 K CB 0.323 32.850 32.500 0.045 0.000 0.937 892 K HN 0.577 nan 8.250 nan 0.000 0.491 893 T N 1.386 115.982 114.554 0.071 0.000 3.400 893 T HA 0.124 4.473 4.350 -0.001 0.000 0.362 893 T C -0.293 174.483 174.700 0.127 0.000 1.823 893 T CA -0.588 61.569 62.100 0.095 0.000 1.374 893 T CB -0.617 68.313 68.868 0.102 0.000 1.130 893 T HN 0.593 nan 8.240 nan 0.000 0.744 894 T N 1.026 115.652 114.554 0.120 0.000 2.922 894 T HA 0.658 5.007 4.350 -0.001 0.000 0.285 894 T C -0.618 174.207 174.700 0.209 0.000 1.005 894 T CA -0.811 61.377 62.100 0.147 0.000 1.061 894 T CB 1.115 70.044 68.868 0.102 0.000 1.007 894 T HN 0.371 nan 8.240 nan 0.000 0.502 895 F N 2.945 122.943 119.950 0.079 0.000 2.536 895 F HA 0.489 5.016 4.527 -0.001 0.000 0.322 895 F C -0.504 175.321 175.800 0.042 0.000 1.144 895 F CA -0.669 57.342 58.000 0.019 0.000 0.924 895 F CB 1.735 40.710 39.000 -0.041 0.000 1.181 895 F HN 0.944 nan 8.300 nan 0.000 0.438 896 Q N 5.699 125.074 119.800 -0.708 0.000 2.496 896 Q HA 0.855 5.195 4.340 -0.001 0.000 0.286 896 Q C -2.046 173.585 176.000 -0.615 0.000 1.103 896 Q CA -1.288 54.278 55.803 -0.396 0.000 0.813 896 Q CB 3.166 31.828 28.738 -0.127 0.000 1.444 896 Q HN 0.800 nan 8.270 nan 0.000 0.443 897 L N -2.891 118.212 121.223 -0.200 0.000 2.612 897 L HA 0.642 4.982 4.340 -0.001 0.000 0.256 897 L C -1.409 175.488 176.870 0.045 0.000 0.949 897 L CA -0.731 54.039 54.840 -0.117 0.000 0.867 897 L CB 2.250 44.250 42.059 -0.099 0.000 1.417 897 L HN 0.853 nan 8.230 nan 0.000 0.414 898 E N 1.790 122.006 120.200 0.026 0.000 2.199 898 E HA 0.787 5.137 4.350 -0.001 0.000 0.269 898 E C -1.637 174.987 176.600 0.039 0.000 0.899 898 E CA -0.739 55.684 56.400 0.038 0.000 0.772 898 E CB 1.811 31.520 29.700 0.015 0.000 1.155 898 E HN 0.748 nan 8.360 nan 0.000 0.408 899 L N 4.876 126.116 121.223 0.027 0.000 2.354 899 L HA 0.512 4.852 4.340 -0.001 0.000 0.269 899 L C -2.331 174.526 176.870 -0.022 0.000 1.005 899 L CA -2.436 52.404 54.840 -0.000 0.000 0.819 899 L CB 2.017 44.053 42.059 -0.039 0.000 1.311 899 L HN 0.432 nan 8.230 nan 0.000 0.423 900 P HA 0.088 nan 4.420 nan 0.000 0.271 900 P C -0.867 176.388 177.300 -0.075 0.000 1.226 900 P CA -0.020 63.059 63.100 -0.036 0.000 0.765 900 P CB 1.166 32.851 31.700 -0.025 0.000 0.835 901 V N 4.790 124.649 119.914 -0.092 0.000 2.547 901 V HA 0.415 4.534 4.120 -0.001 0.000 0.299 901 V C -0.083 175.872 176.094 -0.233 0.000 1.040 901 V CA -0.406 61.776 62.300 -0.198 0.000 0.913 901 V CB 1.279 32.960 31.823 -0.237 0.000 0.992 901 V HN 0.457 nan 8.190 nan 0.000 0.449 902 K N 4.399 124.594 120.400 -0.342 0.000 2.246 902 K HA 0.659 4.978 4.320 -0.001 0.000 0.239 902 K C -1.920 174.342 176.600 -0.562 0.000 1.089 902 K CA -0.757 55.383 56.287 -0.246 0.000 0.892 902 K CB 2.070 34.537 32.500 -0.056 0.000 1.334 902 K HN 0.581 nan 8.250 nan 0.000 0.507 903 Y N -0.515 119.811 120.300 0.044 0.000 2.513 903 Y HA 0.383 4.932 4.550 -0.001 0.000 0.340 903 Y C -0.574 175.419 175.900 0.155 0.000 1.055 903 Y CA -1.150 57.010 58.100 0.100 0.000 1.020 903 Y CB 2.027 40.566 38.460 0.130 0.000 1.301 903 Y HN 0.669 nan 8.280 nan 0.000 0.453 904 A N 1.996 124.962 122.820 0.243 0.000 2.425 904 A HA 0.685 5.005 4.320 -0.001 0.000 0.249 904 A C -0.788 176.894 177.584 0.163 0.000 1.084 904 A CA -0.159 51.980 52.037 0.170 0.000 0.781 904 A CB 0.211 19.278 19.000 0.113 0.000 1.019 904 A HN 0.526 nan 8.150 nan 0.000 0.490 905 V N 1.622 121.602 119.914 0.110 0.000 2.932 905 V HA 0.278 4.398 4.120 -0.001 0.000 0.307 905 V C -1.393 174.738 176.094 0.061 0.000 1.147 905 V CA -0.437 61.878 62.300 0.025 0.000 0.951 905 V CB 1.941 33.672 31.823 -0.153 0.000 1.031 905 V HN 0.843 nan 8.190 nan 0.000 0.426 906 Y N 2.089 122.341 120.300 -0.079 0.000 2.342 906 Y HA 0.653 5.203 4.550 -0.001 0.000 0.338 906 Y C 0.085 175.962 175.900 -0.039 0.000 0.965 906 Y CA -0.031 58.035 58.100 -0.058 0.000 1.159 906 Y CB 1.647 40.065 38.460 -0.069 0.000 1.157 906 Y HN 0.685 nan 8.280 nan 0.000 0.486 907 T N 5.824 120.219 114.554 -0.265 0.000 2.906 907 T HA 0.529 4.878 4.350 -0.001 0.000 0.302 907 T C -1.102 173.519 174.700 -0.132 0.000 1.002 907 T CA -0.579 61.448 62.100 -0.121 0.000 0.988 907 T CB 0.898 69.688 68.868 -0.131 0.000 0.972 907 T HN 0.326 nan 8.240 nan 0.000 0.447 908 V N 2.938 122.828 119.914 -0.041 0.000 3.001 908 V HA 0.864 4.984 4.120 -0.001 0.000 0.314 908 V C -0.738 175.381 176.094 0.041 0.000 1.099 908 V CA -0.832 61.484 62.300 0.027 0.000 0.989 908 V CB 2.388 34.268 31.823 0.095 0.000 1.040 908 V HN 0.648 nan 8.190 nan 0.000 0.434 909 V N 2.077 122.010 119.914 0.031 0.000 2.777 909 V HA 0.772 4.892 4.120 -0.001 0.000 0.306 909 V C -0.640 175.474 176.094 0.034 0.000 1.112 909 V CA 0.131 62.443 62.300 0.020 0.000 0.917 909 V CB 2.362 34.175 31.823 -0.017 0.000 1.018 909 V HN 1.002 nan 8.190 nan 0.000 0.426 910 S N 3.645 119.388 115.700 0.071 0.000 2.677 910 S HA 0.672 5.141 4.470 -0.001 0.000 0.304 910 S C -0.507 174.200 174.600 0.177 0.000 1.108 910 S CA -0.093 58.151 58.200 0.073 0.000 0.944 910 S CB 2.007 65.218 63.200 0.018 0.000 1.127 910 S HN 1.192 nan 8.310 nan 0.000 0.511 911 S N 1.876 117.635 115.700 0.098 0.000 2.466 911 S HA 0.269 4.739 4.470 -0.001 0.000 0.313 911 S C -0.167 174.435 174.600 0.003 0.000 1.078 911 S CA -0.502 57.678 58.200 -0.033 0.000 1.115 911 S CB -0.633 62.493 63.200 -0.123 0.000 1.006 911 S HN 0.795 nan 8.310 nan 0.000 0.487 912 H N 3.075 122.097 119.070 -0.080 0.000 3.092 912 H HA -0.025 4.531 4.556 -0.001 0.000 0.332 912 H C 1.352 176.681 175.328 0.001 0.000 1.029 912 H CA 0.836 56.868 56.048 -0.026 0.000 1.376 912 H CB 0.709 30.464 29.762 -0.011 0.000 1.329 912 H HN 0.824 nan 8.280 nan 0.000 0.598 913 E N 3.226 123.357 120.200 -0.116 0.000 2.485 913 E HA -0.097 4.253 4.350 -0.001 0.000 0.194 913 E C 0.011 176.516 176.600 -0.158 0.000 1.098 913 E CA 0.170 56.528 56.400 -0.071 0.000 0.878 913 E CB 0.076 29.759 29.700 -0.027 0.000 0.939 913 E HN 0.639 nan 8.360 nan 0.000 0.503 914 Q N 1.244 120.838 119.800 -0.344 0.000 3.170 914 Q HA 0.154 4.494 4.340 -0.001 0.000 0.346 914 Q C -1.107 174.850 176.000 -0.071 0.000 1.333 914 Q CA -0.319 55.351 55.803 -0.222 0.000 0.958 914 Q CB -0.336 28.246 28.738 -0.261 0.000 1.600 914 Q HN 0.342 nan 8.270 nan 0.000 0.482 915 F N -1.284 118.555 119.950 -0.185 0.000 2.482 915 F HA 0.387 4.914 4.527 -0.001 0.000 0.331 915 F C -0.278 175.422 175.800 -0.165 0.000 1.115 915 F CA -0.813 57.062 58.000 -0.208 0.000 0.955 915 F CB 1.514 40.393 39.000 -0.202 0.000 1.136 915 F HN -0.223 nan 8.300 nan 0.000 0.452 916 T N 5.443 119.669 114.554 -0.547 0.000 3.176 916 T HA 0.137 4.487 4.350 -0.001 0.000 0.301 916 T C -0.158 174.218 174.700 -0.542 0.000 1.115 916 T CA -0.277 61.555 62.100 -0.447 0.000 1.027 916 T CB -0.500 68.279 68.868 -0.147 0.000 1.063 916 T HN 0.577 nan 8.240 nan 0.000 0.669 917 K N 3.029 122.941 120.400 -0.814 0.000 2.300 917 K HA 0.250 4.570 4.320 -0.001 0.000 0.264 917 K C 0.034 176.495 176.600 -0.232 0.000 1.083 917 K CA -0.698 55.293 56.287 -0.494 0.000 0.958 917 K CB 0.237 32.415 32.500 -0.538 0.000 1.318 917 K HN 0.713 nan 8.250 nan 0.000 0.448 918 Y N 3.601 123.781 120.300 -0.201 0.000 2.527 918 Y HA 0.212 4.761 4.550 -0.001 0.000 0.247 918 Y C -0.054 175.743 175.900 -0.172 0.000 1.138 918 Y CA -1.134 56.871 58.100 -0.159 0.000 1.228 918 Y CB -0.445 37.953 38.460 -0.104 0.000 1.252 918 Y HN 0.306 nan 8.280 nan 0.000 0.531 919 L N 2.544 123.383 121.223 -0.641 0.000 2.640 919 L HA 0.120 4.460 4.340 -0.001 0.000 0.300 919 L C -0.279 176.400 176.870 -0.319 0.000 1.259 919 L CA 0.049 54.568 54.840 -0.535 0.000 0.879 919 L CB -0.050 41.751 42.059 -0.430 0.000 1.125 919 L HN 0.615 nan 8.230 nan 0.000 0.507 920 N N 1.293 119.824 118.700 -0.282 0.000 3.043 920 N HA 0.166 4.906 4.740 -0.001 0.000 0.243 920 N C -0.141 175.235 175.510 -0.223 0.000 1.347 920 N CA -0.724 52.137 53.050 -0.316 0.000 0.896 920 N CB 0.027 38.450 38.487 -0.106 0.000 1.501 920 N HN 0.422 nan 8.380 nan 0.000 0.504 921 F N 0.710 120.671 119.950 0.018 0.000 2.451 921 F HA -0.005 4.522 4.527 -0.001 0.000 0.299 921 F C 1.707 177.516 175.800 0.016 0.000 1.101 921 F CA 0.835 58.860 58.000 0.042 0.000 1.436 921 F CB -0.208 38.824 39.000 0.054 0.000 1.074 921 F HN 0.543 nan 8.300 nan 0.000 0.553 922 S N 0.697 116.478 115.700 0.135 0.000 3.517 922 S HA 0.153 4.622 4.470 -0.001 0.000 0.284 922 S C -0.038 174.542 174.600 -0.033 0.000 1.260 922 S CA -0.428 57.800 58.200 0.046 0.000 0.975 922 S CB -0.090 63.120 63.200 0.017 0.000 1.540 922 S HN 0.327 nan 8.310 nan 0.000 0.506 923 E N 2.389 122.573 120.200 -0.027 0.000 3.037 923 E HA 0.303 4.653 4.350 -0.001 0.000 0.220 923 E C 0.758 177.307 176.600 -0.085 0.000 1.142 923 E CA -0.243 56.107 56.400 -0.084 0.000 0.888 923 E CB 0.323 30.003 29.700 -0.034 0.000 1.329 923 E HN 0.621 nan 8.360 nan 0.000 0.409 924 S N 1.915 117.557 115.700 -0.097 0.000 2.387 924 S HA 0.153 4.622 4.470 -0.001 0.000 0.221 924 S C 0.607 175.159 174.600 -0.079 0.000 1.041 924 S CA 0.137 58.290 58.200 -0.079 0.000 0.959 924 S CB 0.117 63.277 63.200 -0.067 0.000 0.843 924 S HN 0.282 nan 8.310 nan 0.000 0.488 925 E N 0.692 120.833 120.200 -0.100 0.000 2.412 925 E HA 0.527 4.877 4.350 -0.001 0.000 0.255 925 E C -1.229 175.318 176.600 -0.089 0.000 0.933 925 E CA -0.708 55.646 56.400 -0.078 0.000 0.823 925 E CB 0.883 30.544 29.700 -0.064 0.000 1.352 925 E HN 0.279 nan 8.360 nan 0.000 0.406 926 E N 1.005 121.184 120.200 -0.035 0.000 2.167 926 E HA 0.219 4.568 4.350 -0.001 0.000 0.247 926 E C -0.633 175.994 176.600 0.045 0.000 0.961 926 E CA -0.188 56.226 56.400 0.022 0.000 0.797 926 E CB 0.768 30.502 29.700 0.056 0.000 1.182 926 E HN 0.197 nan 8.360 nan 0.000 0.437 927 K N 1.198 121.598 120.400 0.001 0.000 2.842 927 K HA 0.194 4.514 4.320 -0.001 0.000 0.310 927 K C 1.115 177.871 176.600 0.261 0.000 0.992 927 K CA -0.260 56.058 56.287 0.053 0.000 1.207 927 K CB 0.568 33.018 32.500 -0.084 0.000 1.478 927 K HN 0.353 nan 8.250 nan 0.000 0.601 928 E N -0.862 119.508 120.200 0.283 0.000 3.441 928 E HA 0.057 4.407 4.350 -0.001 0.000 0.195 928 E C 0.046 176.852 176.600 0.342 0.000 1.172 928 E CA -0.333 56.251 56.400 0.307 0.000 1.457 928 E CB 0.438 30.246 29.700 0.180 0.000 1.388 928 E HN 0.155 nan 8.360 nan 0.000 0.551 929 S N 0.551 116.410 115.700 0.265 0.000 2.567 929 S HA 0.163 4.633 4.470 -0.001 0.000 0.262 929 S C -0.842 173.879 174.600 0.202 0.000 1.237 929 S CA -0.627 57.688 58.200 0.193 0.000 1.093 929 S CB 0.084 63.349 63.200 0.108 0.000 1.095 929 S HN 0.435 nan 8.310 nan 0.000 0.489 930 H N 4.541 123.678 119.070 0.111 0.000 2.534 930 H HA 0.202 4.757 4.556 -0.001 0.000 0.250 930 H C 0.298 175.553 175.328 -0.122 0.000 1.256 930 H CA -0.276 55.740 56.048 -0.054 0.000 1.000 930 H CB 0.386 30.054 29.762 -0.157 0.000 1.801 930 H HN 0.518 nan 8.280 nan 0.000 0.569 931 V N 1.863 121.759 119.914 -0.030 0.000 2.964 931 V HA -0.089 4.031 4.120 -0.001 0.000 0.286 931 V C 0.152 176.249 176.094 0.006 0.000 1.363 931 V CA 0.925 63.257 62.300 0.053 0.000 1.411 931 V CB -0.479 31.366 31.823 0.037 0.000 0.835 931 V HN 0.627 nan 8.190 nan 0.000 0.487 932 A N 7.798 130.718 122.820 0.166 0.000 2.264 932 A HA 0.819 5.138 4.320 -0.001 0.000 0.304 932 A C -0.107 177.584 177.584 0.177 0.000 1.100 932 A CA -0.676 51.420 52.037 0.097 0.000 0.839 932 A CB 1.020 20.033 19.000 0.022 0.000 1.121 932 A HN 1.084 nan 8.150 nan 0.000 0.496 933 M N 2.018 121.628 119.600 0.016 0.000 2.090 933 M HA 0.258 4.738 4.480 -0.001 0.000 0.277 933 M C -1.409 174.861 176.300 -0.050 0.000 0.935 933 M CA -0.083 55.243 55.300 0.043 0.000 0.966 933 M CB 1.107 33.705 32.600 -0.003 0.000 1.635 933 M HN 0.800 nan 8.290 nan 0.000 0.446 934 H N 3.722 122.863 119.070 0.118 0.000 2.724 934 H HA 0.289 4.845 4.556 -0.001 0.000 0.278 934 H C -0.573 174.704 175.328 -0.085 0.000 1.159 934 H CA -0.320 55.734 56.048 0.012 0.000 1.254 934 H CB 0.856 30.653 29.762 0.057 0.000 1.412 934 H HN 0.535 nan 8.280 nan 0.000 0.488 935 R N 3.588 124.072 120.500 -0.026 0.000 2.254 935 R HA 0.212 4.552 4.340 -0.001 0.000 0.318 935 R C -1.267 174.980 176.300 -0.089 0.000 1.031 935 R CA -0.430 55.688 56.100 0.031 0.000 0.905 935 R CB 0.510 30.890 30.300 0.132 0.000 1.050 935 R HN 0.452 nan 8.270 nan 0.000 0.456 936 Y N 2.589 122.966 120.300 0.128 0.000 2.341 936 Y HA 0.245 4.795 4.550 -0.001 0.000 0.338 936 Y C -0.037 175.817 175.900 -0.077 0.000 0.965 936 Y CA -0.622 57.527 58.100 0.082 0.000 1.108 936 Y CB 2.201 40.781 38.460 0.199 0.000 1.180 936 Y HN 0.415 nan 8.280 nan 0.000 0.458 937 Q N 2.504 122.351 119.800 0.077 0.000 2.274 937 Q HA 0.693 5.032 4.340 -0.001 0.000 0.260 937 Q C -1.388 174.592 176.000 -0.034 0.000 0.974 937 Q CA -0.970 54.800 55.803 -0.054 0.000 0.876 937 Q CB 3.203 31.881 28.738 -0.100 0.000 1.297 937 Q HN 0.504 nan 8.270 nan 0.000 0.446 938 V N 2.476 122.349 119.914 -0.068 0.000 3.078 938 V HA 0.703 4.823 4.120 -0.001 0.000 0.311 938 V C -1.939 174.247 176.094 0.153 0.000 1.138 938 V CA -0.431 61.862 62.300 -0.012 0.000 1.007 938 V CB 2.468 34.204 31.823 -0.145 0.000 1.045 938 V HN 1.072 nan 8.190 nan 0.000 0.432 939 N N 1.939 120.788 118.700 0.248 0.000 2.935 939 N HA 0.372 5.111 4.740 -0.001 0.000 0.248 939 N C -2.095 173.599 175.510 0.307 0.000 1.276 939 N CA -0.762 52.503 53.050 0.357 0.000 0.906 939 N CB 1.146 39.735 38.487 0.170 0.000 1.564 939 N HN 0.640 nan 8.380 nan 0.000 0.500 940 N N 0.952 119.768 118.700 0.195 0.000 2.399 940 N HA 0.316 5.056 4.740 -0.001 0.000 0.280 940 N C -1.015 174.511 175.510 0.027 0.000 1.008 940 N CA -0.658 52.471 53.050 0.133 0.000 0.894 940 N CB 1.308 39.877 38.487 0.137 0.000 1.273 940 N HN 0.521 nan 8.380 nan 0.000 0.486 941 L N 1.576 122.863 121.223 0.107 0.000 2.688 941 L HA 0.338 4.678 4.340 -0.001 0.000 0.234 941 L C 1.639 178.475 176.870 -0.057 0.000 1.192 941 L CA -0.110 54.685 54.840 -0.076 0.000 0.984 941 L CB -0.474 41.468 42.059 -0.195 0.000 1.232 941 L HN 0.782 nan 8.230 nan 0.000 0.465 942 G N -0.387 108.429 108.800 0.026 0.000 2.418 942 G HA2 0.127 4.086 3.960 -0.001 0.000 0.276 942 G HA3 0.127 4.086 3.960 -0.001 0.000 0.276 942 G C 0.352 175.253 174.900 0.002 0.000 1.442 942 G CA -0.205 44.905 45.100 0.017 0.000 1.066 942 G HN 0.426 nan 8.290 nan 0.000 0.553 943 Q N -0.955 118.856 119.800 0.019 0.000 2.038 943 Q HA 0.268 4.607 4.340 -0.001 0.000 0.240 943 Q C -0.227 175.793 176.000 0.034 0.000 0.831 943 Q CA -0.043 55.785 55.803 0.040 0.000 1.068 943 Q CB 1.418 30.189 28.738 0.055 0.000 1.241 943 Q HN 0.352 nan 8.270 nan 0.000 0.435 944 R N 0.524 121.024 120.500 -0.000 0.000 2.604 944 R HA 0.253 4.593 4.340 -0.001 0.000 0.270 944 R C -1.660 174.599 176.300 -0.069 0.000 1.052 944 R CA -0.821 55.271 56.100 -0.012 0.000 0.902 944 R CB 1.623 31.934 30.300 0.019 0.000 1.233 944 R HN 0.028 nan 8.270 nan 0.000 0.455 945 D N 3.372 123.745 120.400 -0.045 0.000 2.390 945 D HA 0.310 4.950 4.640 -0.001 0.000 0.249 945 D C -0.506 175.741 176.300 -0.089 0.000 1.144 945 D CA 0.188 54.153 54.000 -0.058 0.000 0.880 945 D CB 0.752 41.547 40.800 -0.009 0.000 1.182 945 D HN 0.278 nan 8.370 nan 0.000 0.451 946 L N -0.029 121.111 121.223 -0.138 0.000 2.543 946 L HA 0.583 4.923 4.340 -0.001 0.000 0.265 946 L C -3.043 173.774 176.870 -0.087 0.000 0.945 946 L CA -2.092 52.587 54.840 -0.267 0.000 0.869 946 L CB 1.978 43.502 42.059 -0.892 0.000 1.294 946 L HN -0.030 nan 8.230 nan 0.000 0.405 947 P HA 0.333 nan 4.420 nan 0.000 0.267 947 P C -0.635 176.698 177.300 0.054 0.000 1.200 947 P CA -0.160 62.979 63.100 0.064 0.000 0.772 947 P CB 1.053 32.810 31.700 0.096 0.000 0.855 948 V N -1.421 118.520 119.914 0.045 0.000 3.202 948 V HA 0.855 4.975 4.120 -0.001 0.000 0.306 948 V C -0.968 175.123 176.094 -0.006 0.000 1.283 948 V CA -0.864 61.456 62.300 0.033 0.000 1.065 948 V CB 2.077 33.856 31.823 -0.074 0.000 1.079 948 V HN 0.446 nan 8.190 nan 0.000 0.448 949 S N 0.656 116.345 115.700 -0.018 0.000 2.750 949 S HA 0.641 5.111 4.470 -0.001 0.000 0.276 949 S C -1.022 173.508 174.600 -0.117 0.000 1.165 949 S CA -0.504 57.657 58.200 -0.066 0.000 1.047 949 S CB 0.472 63.644 63.200 -0.048 0.000 1.056 949 S HN 0.752 nan 8.310 nan 0.000 0.481 950 I N 4.934 125.407 120.570 -0.162 0.000 2.301 950 I HA 0.271 4.441 4.170 -0.001 0.000 0.292 950 I C 0.357 176.211 176.117 -0.439 0.000 1.046 950 I CA -0.408 60.731 61.300 -0.269 0.000 1.282 950 I CB 0.747 38.654 38.000 -0.154 0.000 1.409 950 I HN 0.585 nan 8.210 nan 0.000 0.484 951 N N 5.122 123.535 118.700 -0.479 0.000 2.493 951 N HA 0.619 5.359 4.740 -0.001 0.000 0.275 951 N C -1.051 173.949 175.510 -0.849 0.000 1.186 951 N CA -0.172 52.559 53.050 -0.533 0.000 0.978 951 N CB 1.111 39.379 38.487 -0.365 0.000 1.184 951 N HN 0.257 nan 8.380 nan 0.000 0.487 952 F N -0.439 119.206 119.950 -0.508 0.000 2.675 952 F HA 0.544 5.070 4.527 -0.001 0.000 0.324 952 F C -1.263 174.073 175.800 -0.773 0.000 1.106 952 F CA -0.631 57.122 58.000 -0.412 0.000 0.970 952 F CB 1.366 40.275 39.000 -0.151 0.000 1.385 952 F HN 0.418 nan 8.300 nan 0.000 0.489 953 W N 1.288 122.789 121.300 0.335 0.000 2.680 953 W HA 0.639 5.299 4.660 -0.001 0.000 0.305 953 W C -1.931 174.704 176.519 0.193 0.000 1.033 953 W CA -0.591 56.878 57.345 0.208 0.000 1.242 953 W CB 1.360 30.885 29.460 0.107 0.000 1.138 953 W HN 0.142 nan 8.180 nan 0.000 0.358 954 V N 4.458 124.597 119.914 0.375 0.000 2.378 954 V HA 0.444 4.564 4.120 -0.001 0.000 0.288 954 V C -1.999 174.273 176.094 0.296 0.000 1.016 954 V CA -2.308 60.186 62.300 0.324 0.000 0.840 954 V CB 1.804 33.761 31.823 0.223 0.000 0.994 954 V HN 0.099 nan 8.190 nan 0.000 0.431 955 P HA 0.271 nan 4.420 nan 0.000 0.269 955 P C -0.044 177.391 177.300 0.225 0.000 1.209 955 P CA 0.399 63.604 63.100 0.175 0.000 0.776 955 P CB 1.314 33.041 31.700 0.045 0.000 0.876 956 V N 0.599 120.553 119.914 0.067 0.000 5.619 956 V HA 0.119 4.238 4.120 -0.001 0.000 0.099 956 V C 0.095 176.162 176.094 -0.045 0.000 0.898 956 V CA -0.239 62.087 62.300 0.043 0.000 1.288 956 V CB -0.662 31.157 31.823 -0.005 0.000 2.171 956 V HN 0.329 nan 8.190 nan 0.000 0.497 957 E N 2.125 122.301 120.200 -0.041 0.000 2.534 957 E HA 0.167 4.516 4.350 -0.001 0.000 0.264 957 E C -0.768 175.768 176.600 -0.106 0.000 0.981 957 E CA 0.446 56.814 56.400 -0.053 0.000 0.948 957 E CB 0.574 30.251 29.700 -0.038 0.000 0.934 957 E HN 0.390 nan 8.360 nan 0.000 0.459 958 L N 4.221 125.378 121.223 -0.110 0.000 2.492 958 L HA 0.216 4.555 4.340 -0.001 0.000 0.259 958 L C -0.542 176.253 176.870 -0.126 0.000 1.229 958 L CA -0.151 54.585 54.840 -0.174 0.000 0.903 958 L CB 0.036 41.944 42.059 -0.251 0.000 1.114 958 L HN 0.544 nan 8.230 nan 0.000 0.494 959 N N 3.190 121.828 118.700 -0.103 0.000 2.746 959 N HA -0.263 4.476 4.740 -0.001 0.000 0.250 959 N C 0.611 176.123 175.510 0.002 0.000 1.055 959 N CA 1.601 54.627 53.050 -0.040 0.000 0.699 959 N CB -1.048 37.415 38.487 -0.041 0.000 0.919 959 N HN 0.971 nan 8.380 nan 0.000 0.548 960 Q N -2.124 117.676 119.800 -0.000 0.000 2.261 960 Q HA -0.340 4.000 4.340 -0.001 0.000 0.155 960 Q C -0.757 175.264 176.000 0.034 0.000 0.598 960 Q CA 2.151 57.964 55.803 0.018 0.000 1.376 960 Q CB -1.016 27.740 28.738 0.029 0.000 1.356 960 Q HN 0.626 nan 8.270 nan 0.000 0.947 961 E N 0.914 121.139 120.200 0.042 0.000 1.996 961 E HA 0.565 4.915 4.350 -0.001 0.000 0.280 961 E C -0.588 176.061 176.600 0.083 0.000 1.092 961 E CA 0.682 57.136 56.400 0.089 0.000 0.862 961 E CB 0.741 30.521 29.700 0.134 0.000 1.066 961 E HN 0.423 nan 8.360 nan 0.000 0.396 962 A N 3.693 126.569 122.820 0.093 0.000 2.531 962 A HA 0.078 4.397 4.320 -0.001 0.000 0.236 962 A C 0.998 178.649 177.584 0.111 0.000 1.062 962 A CA -0.233 51.852 52.037 0.079 0.000 0.760 962 A CB 0.576 19.633 19.000 0.095 0.000 0.995 962 A HN 0.611 nan 8.150 nan 0.000 0.501 963 V N 1.834 121.738 119.914 -0.017 0.000 2.326 963 V HA 0.100 4.220 4.120 -0.001 0.000 0.238 963 V C 0.451 176.712 176.094 0.279 0.000 1.038 963 V CA 1.768 63.928 62.300 -0.234 0.000 1.032 963 V CB -0.340 31.165 31.823 -0.531 0.000 0.675 963 V HN 1.036 nan 8.190 nan 0.000 0.467 964 W N -0.312 120.971 121.300 -0.028 0.000 3.259 964 W HA 0.742 5.401 4.660 -0.001 0.000 0.331 964 W C -1.419 175.120 176.519 0.033 0.000 1.144 964 W CA -2.148 55.223 57.345 0.043 0.000 1.227 964 W CB 0.138 29.633 29.460 0.059 0.000 1.371 964 W HN 0.079 nan 8.180 nan 0.000 0.491 965 M N 3.159 122.816 119.600 0.096 0.000 2.513 965 M HA 0.301 4.780 4.480 -0.001 0.000 0.291 965 M C 0.197 176.440 176.300 -0.095 0.000 1.190 965 M CA -0.449 54.843 55.300 -0.014 0.000 0.960 965 M CB 0.487 33.114 32.600 0.045 0.000 1.517 965 M HN 0.385 nan 8.290 nan 0.000 0.499 966 D N 0.370 120.721 120.400 -0.081 0.000 2.704 966 D HA -0.106 4.533 4.640 -0.001 0.000 0.232 966 D C -1.117 175.095 176.300 -0.146 0.000 1.183 966 D CA 0.419 54.371 54.000 -0.081 0.000 0.647 966 D CB -1.462 39.314 40.800 -0.040 0.000 1.013 966 D HN 0.277 nan 8.370 nan 0.000 0.415 967 V N 0.604 120.382 119.914 -0.227 0.000 2.406 967 V HA 0.285 4.404 4.120 -0.001 0.000 0.272 967 V C 0.826 176.815 176.094 -0.174 0.000 1.043 967 V CA 0.021 62.108 62.300 -0.355 0.000 0.915 967 V CB 1.605 33.023 31.823 -0.676 0.000 0.988 967 V HN 0.092 nan 8.190 nan 0.000 0.466 968 E N 2.586 122.658 120.200 -0.214 0.000 2.423 968 E HA 0.685 5.034 4.350 -0.001 0.000 0.269 968 E C -1.521 174.902 176.600 -0.294 0.000 0.948 968 E CA -0.875 55.427 56.400 -0.163 0.000 0.802 968 E CB 2.864 32.523 29.700 -0.069 0.000 1.339 968 E HN 0.405 nan 8.360 nan 0.000 0.445 969 V N 1.135 120.889 119.914 -0.266 0.000 2.407 969 V HA 0.375 4.494 4.120 -0.001 0.000 0.291 969 V C -0.715 175.305 176.094 -0.123 0.000 1.018 969 V CA -0.235 61.899 62.300 -0.277 0.000 0.842 969 V CB 1.528 33.090 31.823 -0.434 0.000 0.996 969 V HN 0.642 nan 8.190 nan 0.000 0.426 970 S N 4.714 120.388 115.700 -0.043 0.000 2.584 970 S HA 0.415 4.884 4.470 -0.001 0.000 0.273 970 S C -0.347 174.341 174.600 0.147 0.000 1.311 970 S CA -0.111 58.110 58.200 0.035 0.000 1.034 970 S CB 0.392 63.616 63.200 0.040 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 3.818 122.904 119.070 0.025 0.000 2.379 971 H HA 0.505 5.061 4.556 -0.001 0.000 0.229 971 H C -2.793 172.591 175.328 0.093 0.000 1.423 971 H CA -2.001 54.103 56.048 0.093 0.000 1.375 971 H CB 0.079 29.835 29.762 -0.010 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 0.065 177.260 177.300 -0.174 0.000 1.250 972 P CA 0.039 63.093 63.100 -0.077 0.000 0.793 972 P CB 0.681 32.382 31.700 0.001 0.000 1.011 973 Q N -2.129 117.586 119.800 -0.142 0.000 2.393 973 Q HA -0.201 4.139 4.340 -0.001 0.000 0.235 973 Q C -0.584 175.286 176.000 -0.216 0.000 0.823 973 Q CA 1.379 57.089 55.803 -0.156 0.000 1.284 973 Q CB -2.152 26.517 28.738 -0.116 0.000 1.669 973 Q HN 0.622 nan 8.270 nan 0.000 0.597 974 N N -0.463 118.045 118.700 -0.320 0.000 2.598 974 N HA 0.343 5.082 4.740 -0.001 0.000 0.263 974 N C -2.713 172.650 175.510 -0.246 0.000 1.254 974 N CA -1.090 51.759 53.050 -0.334 0.000 0.863 974 N CB 1.832 39.986 38.487 -0.556 0.000 1.586 974 N HN -0.218 nan 8.380 nan 0.000 0.491 975 P HA -0.029 nan 4.420 nan 0.000 0.270 975 P C -0.146 177.208 177.300 0.089 0.000 1.216 975 P CA 0.038 63.149 63.100 0.019 0.000 0.788 975 P CB 0.185 31.918 31.700 0.054 0.000 0.883 976 S N 0.871 116.610 115.700 0.064 0.000 2.437 976 S HA 0.247 4.717 4.470 -0.001 0.000 0.304 976 S C 0.230 174.878 174.600 0.080 0.000 1.167 976 S CA -0.590 57.655 58.200 0.076 0.000 1.106 976 S CB -0.801 62.419 63.200 0.033 0.000 1.099 976 S HN 0.185 nan 8.310 nan 0.000 0.524 977 L N 3.053 124.341 121.223 0.108 0.000 2.416 977 L HA 0.493 4.833 4.340 -0.001 0.000 0.262 977 L C 0.976 177.825 176.870 -0.035 0.000 1.093 977 L CA -0.239 54.612 54.840 0.018 0.000 0.801 977 L CB 0.604 42.624 42.059 -0.066 0.000 1.191 977 L HN 0.619 nan 8.230 nan 0.000 0.459 978 R N 0.295 120.766 120.500 -0.048 0.000 2.265 978 R HA 0.545 4.884 4.340 -0.001 0.000 0.319 978 R C -1.255 175.001 176.300 -0.073 0.000 1.006 978 R CA -0.471 55.600 56.100 -0.049 0.000 0.880 978 R CB 0.843 31.122 30.300 -0.034 0.000 1.077 978 R HN 0.475 nan 8.270 nan 0.000 0.454 979 c N 1.154 119.718 118.600 -0.060 0.000 2.634 979 c HA 0.506 5.076 4.570 -0.001 0.000 0.313 979 c C 0.479 174.546 174.090 -0.038 0.000 1.198 979 c CA -0.565 55.735 56.329 -0.048 0.000 1.605 979 c CB 2.034 44.532 42.510 -0.021 0.000 2.196 979 c HN 0.825 nan 8.230 nan 0.000 0.486 980 S N 1.172 116.835 115.700 -0.062 0.000 2.690 980 S HA 0.857 5.327 4.470 -0.001 0.000 0.291 980 S C -0.387 174.076 174.600 -0.229 0.000 1.138 980 S CA -0.283 57.846 58.200 -0.119 0.000 1.013 980 S CB 0.941 64.068 63.200 -0.122 0.000 1.053 980 S HN 1.076 nan 8.310 nan 0.000 0.539 981 S N 1.671 117.197 115.700 -0.289 0.000 2.575 981 S HA 0.686 5.156 4.470 -0.001 0.000 0.278 981 S C -1.552 172.846 174.600 -0.337 0.000 1.139 981 S CA -0.851 57.061 58.200 -0.480 0.000 0.954 981 S CB 1.465 64.388 63.200 -0.462 0.000 1.054 981 S HN 0.728 nan 8.310 nan 0.000 0.483 982 E N 1.240 121.223 120.200 -0.361 0.000 2.321 982 E HA 0.339 4.688 4.350 -0.001 0.000 0.281 982 E C -1.370 175.121 176.600 -0.181 0.000 0.910 982 E CA -0.773 55.496 56.400 -0.218 0.000 0.770 982 E CB 2.337 31.940 29.700 -0.161 0.000 1.225 982 E HN 0.583 nan 8.360 nan 0.000 0.417 983 K N 2.587 122.915 120.400 -0.120 0.000 2.098 983 K HA 0.654 4.974 4.320 -0.001 0.000 0.261 983 K C -0.079 176.505 176.600 -0.026 0.000 0.987 983 K CA -0.467 55.777 56.287 -0.072 0.000 0.916 983 K CB 1.043 33.503 32.500 -0.066 0.000 1.039 983 K HN 0.459 nan 8.250 nan 0.000 0.455 984 I N -2.347 118.227 120.570 0.007 0.000 2.913 984 I HA 0.606 4.776 4.170 -0.001 0.000 0.302 984 I C -1.350 174.776 176.117 0.014 0.000 1.246 984 I CA -1.229 60.085 61.300 0.023 0.000 1.010 984 I CB 2.357 40.397 38.000 0.067 0.000 1.259 984 I HN 0.520 nan 8.210 nan 0.000 0.434 985 A N 4.653 127.476 122.820 0.004 0.000 2.271 985 A HA 0.870 5.190 4.320 -0.001 0.000 0.317 985 A C -2.336 175.241 177.584 -0.010 0.000 1.245 985 A CA -1.344 50.689 52.037 -0.007 0.000 0.857 985 A CB -0.139 18.857 19.000 -0.007 0.000 1.175 985 A HN 0.680 nan 8.150 nan 0.000 0.512 986 P HA 0.207 nan 4.420 nan 0.000 0.280 986 P C -1.544 175.741 177.300 -0.025 0.000 1.278 986 P CA -0.805 62.274 63.100 -0.036 0.000 0.787 986 P CB 0.007 31.671 31.700 -0.060 0.000 1.163 987 P HA -0.043 nan 4.420 nan 0.000 0.223 987 P C 0.301 177.604 177.300 0.004 0.000 1.151 987 P CA 1.490 64.583 63.100 -0.012 0.000 0.787 987 P CB -0.299 31.393 31.700 -0.014 0.000 0.788 988 A N -1.517 121.309 122.820 0.010 0.000 3.031 988 A HA -0.138 4.182 4.320 -0.001 0.000 0.244 988 A C 0.818 178.441 177.584 0.065 0.000 1.341 988 A CA 0.538 52.605 52.037 0.049 0.000 0.943 988 A CB -2.696 16.331 19.000 0.044 0.000 1.122 988 A HN 0.314 nan 8.150 nan 0.000 0.760 989 S N 0.188 115.915 115.700 0.045 0.000 2.598 989 S HA 0.296 4.766 4.470 -0.001 0.000 0.256 989 S C 0.385 175.020 174.600 0.058 0.000 1.350 989 S CA 0.357 58.586 58.200 0.047 0.000 0.984 989 S CB 0.223 63.457 63.200 0.057 0.000 0.930 989 S HN 0.669 nan 8.310 nan 0.000 0.577 990 D N 1.119 121.527 120.400 0.013 0.000 2.359 990 D HA 0.020 4.660 4.640 -0.001 0.000 0.273 990 D C 0.824 177.101 176.300 -0.039 0.000 1.362 990 D CA -0.337 53.611 54.000 -0.086 0.000 1.010 990 D CB -0.376 40.375 40.800 -0.081 0.000 1.090 990 D HN 0.440 nan 8.370 nan 0.000 0.521 991 F N 2.983 122.958 119.950 0.042 0.000 2.407 991 F HA 0.016 4.543 4.527 -0.001 0.000 0.299 991 F C 1.786 177.648 175.800 0.103 0.000 1.097 991 F CA -0.136 57.897 58.000 0.055 0.000 1.422 991 F CB -0.744 38.255 39.000 -0.001 0.000 1.067 991 F HN 0.324 nan 8.300 nan 0.000 0.539 992 L N 1.404 122.408 121.223 -0.365 0.000 1.963 992 L HA -0.236 4.104 4.340 -0.001 0.000 0.220 992 L C 2.661 179.553 176.870 0.038 0.000 1.076 992 L CA 2.197 56.958 54.840 -0.132 0.000 0.772 992 L CB -0.844 41.065 42.059 -0.250 0.000 0.892 992 L HN 0.265 nan 8.230 nan 0.000 0.435 993 A N -1.751 121.076 122.820 0.011 0.000 2.014 993 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 993 A C 2.187 179.820 177.584 0.082 0.000 1.163 993 A CA 1.200 53.260 52.037 0.037 0.000 0.652 993 A CB -0.966 18.039 19.000 0.009 0.000 0.808 993 A HN 0.760 nan 8.150 nan 0.000 0.449 994 H N 1.106 120.204 119.070 0.046 0.000 2.267 994 H HA -0.165 4.391 4.556 -0.001 0.000 0.297 994 H C 1.893 177.264 175.328 0.071 0.000 1.080 994 H CA 2.273 58.359 56.048 0.064 0.000 1.278 994 H CB -0.224 29.596 29.762 0.097 0.000 1.365 994 H HN 0.580 nan 8.280 nan 0.000 0.489 995 I N -0.443 120.305 120.570 0.296 0.000 3.564 995 I HA 0.000 4.170 4.170 -0.001 0.000 0.294 995 I C 2.407 178.594 176.117 0.116 0.000 1.289 995 I CA 0.681 62.109 61.300 0.213 0.000 1.325 995 I CB -0.239 37.912 38.000 0.252 0.000 1.039 995 I HN 0.182 nan 8.210 nan 0.000 0.474 996 Q N 1.924 121.780 119.800 0.093 0.000 2.119 996 Q HA -0.177 4.163 4.340 -0.001 0.000 0.201 996 Q C 2.029 178.041 176.000 0.021 0.000 0.972 996 Q CA 1.431 57.267 55.803 0.056 0.000 0.847 996 Q CB 0.083 28.849 28.738 0.047 0.000 0.903 996 Q HN 0.560 nan 8.270 nan 0.000 0.433 997 K N 0.203 120.597 120.400 -0.010 0.000 2.000 997 K HA -0.148 4.172 4.320 -0.001 0.000 0.218 997 K C 0.619 177.205 176.600 -0.023 0.000 1.053 997 K CA 1.206 57.470 56.287 -0.039 0.000 0.946 997 K CB -0.074 32.365 32.500 -0.102 0.000 0.723 997 K HN 0.088 nan 8.250 nan 0.000 0.446 998 N N -0.892 117.796 118.700 -0.019 0.000 2.461 998 N HA 0.175 4.915 4.740 -0.001 0.000 0.284 998 N C -2.505 173.032 175.510 0.046 0.000 1.049 998 N CA -2.066 50.986 53.050 0.004 0.000 0.889 998 N CB 1.854 40.333 38.487 -0.013 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 0.355 177.710 177.300 0.091 0.000 1.142 999 P CA 0.726 63.870 63.100 0.072 0.000 0.778 999 P CB -0.010 31.718 31.700 0.047 0.000 0.764 1000 V N -2.091 117.869 119.914 0.077 0.000 2.928 1000 V HA -0.036 4.083 4.120 -0.001 0.000 0.307 1000 V C 0.311 176.466 176.094 0.100 0.000 1.105 1000 V CA 0.017 62.364 62.300 0.079 0.000 1.223 1000 V CB -0.042 31.819 31.823 0.064 0.000 0.930 1000 V HN -0.062 nan 8.190 nan 0.000 0.499 1001 L N 4.202 125.466 121.223 0.068 0.000 2.495 1001 L HA 0.469 4.809 4.340 -0.001 0.000 0.248 1001 L C -0.160 176.707 176.870 -0.004 0.000 1.229 1001 L CA -0.539 54.316 54.840 0.024 0.000 0.942 1001 L CB 0.346 42.384 42.059 -0.036 0.000 1.242 1001 L HN 1.059 nan 8.230 nan 0.000 0.484 1002 D N 0.006 120.419 120.400 0.021 0.000 2.393 1002 D HA -0.001 4.638 4.640 -0.001 0.000 0.246 1002 D C 1.082 177.365 176.300 -0.029 0.000 1.275 1002 D CA -0.495 53.508 54.000 0.005 0.000 0.979 1002 D CB 0.652 41.461 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 -0.027 0.000 2.472 1003 c HA -0.034 4.536 4.570 -0.001 0.000 0.278 1003 c C 2.519 176.568 174.090 -0.069 0.000 1.447 1003 c CA 0.851 57.165 56.329 -0.025 0.000 1.773 1003 c CB -1.725 40.796 42.510 0.019 0.000 1.793 1003 c HN 0.749 nan 8.230 nan 0.000 0.544 1004 S N 0.365 116.009 115.700 -0.093 0.000 2.481 1004 S HA 0.000 4.470 4.470 -0.001 0.000 0.231 1004 S C 1.485 175.984 174.600 -0.168 0.000 0.996 1004 S CA 1.071 59.199 58.200 -0.120 0.000 0.942 1004 S CB -0.303 62.834 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 -0.178 0.000 2.899 1005 I HA 0.387 4.557 4.170 -0.001 0.000 0.257 1005 I C 1.358 177.368 176.117 -0.178 0.000 1.115 1005 I CA 0.452 61.635 61.300 -0.196 0.000 1.451 1005 I CB -1.246 36.640 38.000 -0.189 0.000 1.251 1005 I HN 0.365 nan 8.210 nan 0.000 0.456 1006 A N 0.692 123.409 122.820 -0.172 0.000 2.305 1006 A HA 0.620 4.940 4.320 -0.001 0.000 0.322 1006 A C 0.587 178.110 177.584 -0.102 0.000 1.187 1006 A CA -0.193 51.736 52.037 -0.181 0.000 0.825 1006 A CB 0.362 19.213 19.000 -0.248 0.000 1.164 1006 A HN 0.367 nan 8.150 nan 0.000 0.498 1007 G N 1.073 109.822 108.800 -0.086 0.000 2.151 1007 G HA2 0.235 4.195 3.960 -0.001 0.000 0.269 1007 G HA3 0.235 4.195 3.960 -0.001 0.000 0.269 1007 G C 0.451 175.346 174.900 -0.007 0.000 1.069 1007 G CA 0.377 45.453 45.100 -0.039 0.000 1.080 1007 G HN 0.907 nan 8.290 nan 0.000 0.405 1008 c N 2.587 121.210 118.600 0.039 0.000 2.694 1008 c HA 0.778 5.347 4.570 -0.001 0.000 0.324 1008 c C 0.405 174.551 174.090 0.094 0.000 1.813 1008 c CA -0.689 55.705 56.329 0.108 0.000 2.009 1008 c CB 0.465 43.097 42.510 0.203 0.000 1.939 1008 c HN 0.677 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 0.423 4.763 4.340 -0.001 0.000 0.266 1009 L C -0.421 176.415 176.870 -0.057 0.000 0.966 1009 L CA -0.283 54.550 54.840 -0.011 0.000 0.871 1009 L CB 0.596 42.633 42.059 -0.037 0.000 1.232 1009 L HN 0.747 nan 8.230 nan 0.000 0.408 1010 R N 3.849 124.202 120.500 -0.244 0.000 2.298 1010 R HA 0.411 4.750 4.340 -0.001 0.000 0.310 1010 R C -1.713 174.283 176.300 -0.508 0.000 1.068 1010 R CA -0.211 55.595 56.100 -0.491 0.000 0.957 1010 R CB 0.661 30.577 30.300 -0.640 0.000 1.003 1010 R HN 0.382 nan 8.270 nan 0.000 0.454 1011 F N 3.727 123.487 119.950 -0.317 0.000 2.402 1011 F HA 0.364 4.891 4.527 -0.001 0.000 0.355 1011 F C 0.679 176.354 175.800 -0.209 0.000 1.123 1011 F CA -0.688 57.210 58.000 -0.170 0.000 1.021 1011 F CB 1.495 40.487 39.000 -0.013 0.000 1.160 1011 F HN 0.360 nan 8.300 nan 0.000 0.451 1012 R N 3.535 123.987 120.500 -0.081 0.000 2.471 1012 R HA 0.446 4.786 4.340 -0.001 0.000 0.292 1012 R C -1.415 174.832 176.300 -0.089 0.000 1.192 1012 R CA -0.250 55.777 56.100 -0.122 0.000 1.257 1012 R CB 0.028 30.244 30.300 -0.140 0.000 1.130 1012 R HN 0.730 nan 8.270 nan 0.000 0.558 1013 c N 4.343 122.883 118.600 -0.099 0.000 2.252 1013 c HA 0.233 4.802 4.570 -0.001 0.000 0.342 1013 c C 0.146 174.150 174.090 -0.143 0.000 1.110 1013 c CA -0.968 55.272 56.329 -0.149 0.000 1.581 1013 c CB -0.754 41.595 42.510 -0.269 0.000 2.087 1013 c HN 0.691 nan 8.230 nan 0.000 0.500 1014 D N 1.274 121.611 120.400 -0.105 0.000 2.361 1014 D HA 0.361 5.001 4.640 -0.001 0.000 0.239 1014 D C -0.180 176.081 176.300 -0.066 0.000 1.200 1014 D CA 0.308 54.266 54.000 -0.071 0.000 0.915 1014 D CB 1.055 41.828 40.800 -0.044 0.000 1.170 1014 D HN 0.261 nan 8.370 nan 0.000 0.444 1015 V N 2.386 122.284 119.914 -0.027 0.000 2.668 1015 V HA 0.134 4.254 4.120 -0.001 0.000 0.304 1015 V C -1.512 174.609 176.094 0.045 0.000 1.071 1015 V CA -1.120 61.185 62.300 0.008 0.000 0.894 1015 V CB 2.261 34.086 31.823 0.004 0.000 1.008 1015 V HN 0.420 nan 8.190 nan 0.000 0.425 1016 P HA -0.051 nan 4.420 nan 0.000 0.213 1016 P C 0.472 177.819 177.300 0.079 0.000 1.170 1016 P CA 1.047 64.185 63.100 0.062 0.000 0.893 1016 P CB 0.461 32.199 31.700 0.063 0.000 0.784 1017 S N -1.561 114.201 115.700 0.103 0.000 2.609 1017 S HA 0.323 4.793 4.470 -0.001 0.000 0.250 1017 S C -1.199 173.496 174.600 0.159 0.000 1.112 1017 S CA -0.688 57.575 58.200 0.105 0.000 1.102 1017 S CB -0.500 62.744 63.200 0.073 0.000 1.124 1017 S HN -0.065 nan 8.310 nan 0.000 0.460 1018 F N 5.591 125.531 119.950 -0.018 0.000 2.678 1018 F HA 0.384 4.911 4.527 -0.001 0.000 0.358 1018 F C 0.903 176.690 175.800 -0.023 0.000 1.256 1018 F CA -0.310 57.680 58.000 -0.017 0.000 1.278 1018 F CB -0.538 38.433 39.000 -0.048 0.000 1.681 1018 F HN 0.570 nan 8.300 nan 0.000 0.661 1019 S N 2.778 118.392 115.700 -0.145 0.000 2.561 1019 S HA 0.086 4.555 4.470 -0.001 0.000 0.294 1019 S C 0.342 174.722 174.600 -0.367 0.000 1.294 1019 S CA -0.624 57.468 58.200 -0.180 0.000 1.055 1019 S CB 0.227 63.377 63.200 -0.083 0.000 0.819 1019 S HN 0.299 nan 8.310 nan 0.000 0.503 1020 V N 6.384 126.166 119.914 -0.220 0.000 2.901 1020 V HA 0.050 4.169 4.120 -0.001 0.000 0.307 1020 V C 1.242 177.266 176.094 -0.116 0.000 1.084 1020 V CA 0.821 63.010 62.300 -0.186 0.000 1.184 1020 V CB 0.251 32.052 31.823 -0.037 0.000 0.941 1020 V HN 1.149 nan 8.190 nan 0.000 0.493 1021 Q N -0.292 119.475 119.800 -0.055 0.000 2.404 1021 Q HA -0.246 4.094 4.340 -0.001 0.000 0.151 1021 Q C 0.616 176.614 176.000 -0.003 0.000 0.589 1021 Q CA 1.754 57.635 55.803 0.130 0.000 1.298 1021 Q CB -0.993 27.901 28.738 0.259 0.000 1.175 1021 Q HN 0.904 nan 8.270 nan 0.000 1.025 1022 E N 1.902 121.979 120.200 -0.204 0.000 2.406 1022 E HA -0.012 4.338 4.350 -0.001 0.000 0.258 1022 E C 0.148 176.712 176.600 -0.060 0.000 1.043 1022 E CA 0.202 56.496 56.400 -0.176 0.000 0.929 1022 E CB 0.437 29.964 29.700 -0.289 0.000 0.969 1022 E HN 0.222 nan 8.360 nan 0.000 0.462 1023 E N 5.498 125.736 120.200 0.063 0.000 2.311 1023 E HA 0.044 4.394 4.350 -0.001 0.000 0.198 1023 E C 0.055 176.744 176.600 0.148 0.000 1.115 1023 E CA -0.325 56.148 56.400 0.122 0.000 1.140 1023 E CB 0.042 29.790 29.700 0.079 0.000 1.204 1023 E HN 0.632 nan 8.360 nan 0.000 0.446 1024 L N 3.038 124.418 121.223 0.260 0.000 2.841 1024 L HA -0.141 4.199 4.340 -0.001 0.000 0.282 1024 L C -0.512 176.418 176.870 0.099 0.000 1.130 1024 L CA 0.445 55.453 54.840 0.280 0.000 0.996 1024 L CB 0.036 42.376 42.059 0.470 0.000 1.364 1024 L HN 0.213 nan 8.230 nan 0.000 0.466 1025 D N 4.606 125.036 120.400 0.050 0.000 2.490 1025 D HA 0.697 5.337 4.640 -0.001 0.000 0.232 1025 D C -0.719 175.593 176.300 0.020 0.000 1.053 1025 D CA -0.482 53.416 54.000 -0.170 0.000 0.914 1025 D CB 1.686 42.429 40.800 -0.096 0.000 1.431 1025 D HN 0.270 nan 8.370 nan 0.000 0.483 1026 F N -2.423 117.664 119.950 0.229 0.000 2.719 1026 F HA 0.664 5.191 4.527 -0.001 0.000 0.309 1026 F C -0.803 175.096 175.800 0.165 0.000 1.138 1026 F CA -1.025 57.110 58.000 0.225 0.000 0.943 1026 F CB 1.518 40.703 39.000 0.307 0.000 1.304 1026 F HN 0.431 nan 8.300 nan 0.000 0.445 1027 T N 1.331 116.103 114.554 0.364 0.000 2.916 1027 T HA 0.864 5.214 4.350 -0.001 0.000 0.292 1027 T C -1.731 173.012 174.700 0.072 0.000 1.064 1027 T CA -0.684 61.536 62.100 0.200 0.000 1.011 1027 T CB 1.498 70.447 68.868 0.135 0.000 1.152 1027 T HN 1.111 nan 8.240 nan 0.000 0.510 1028 L N 1.245 122.466 121.223 -0.003 0.000 2.408 1028 L HA 0.908 5.248 4.340 -0.001 0.000 0.268 1028 L C -0.828 176.034 176.870 -0.012 0.000 0.986 1028 L CA -0.913 53.846 54.840 -0.135 0.000 0.820 1028 L CB 1.698 43.521 42.059 -0.393 0.000 1.303 1028 L HN 0.808 nan 8.230 nan 0.000 0.411 1029 K N 0.789 121.149 120.400 -0.067 0.000 2.482 1029 K HA 1.021 5.340 4.320 -0.001 0.000 0.257 1029 K C -0.787 175.746 176.600 -0.111 0.000 0.969 1029 K CA -0.817 55.486 56.287 0.026 0.000 0.842 1029 K CB 2.453 34.976 32.500 0.039 0.000 1.359 1029 K HN 1.044 nan 8.250 nan 0.000 0.441 1030 G N 1.010 109.811 108.800 0.002 0.000 2.716 1030 G HA2 0.192 4.151 3.960 -0.001 0.000 0.299 1030 G HA3 0.192 4.151 3.960 -0.001 0.000 0.299 1030 G C -1.696 173.330 174.900 0.210 0.000 1.450 1030 G CA -1.033 44.018 45.100 -0.081 0.000 0.968 1030 G HN 0.488 nan 8.290 nan 0.000 0.566 1031 N N 0.305 119.087 118.700 0.136 0.000 2.365 1031 N HA 0.040 4.780 4.740 -0.001 0.000 0.265 1031 N C -0.107 175.589 175.510 0.310 0.000 1.288 1031 N CA 0.125 53.287 53.050 0.186 0.000 0.869 1031 N CB 1.306 39.869 38.487 0.126 0.000 1.071 1031 N HN 0.525 nan 8.380 nan 0.000 0.480 1032 L N 1.798 123.201 121.223 0.300 0.000 2.255 1032 L HA 0.240 4.579 4.340 -0.001 0.000 0.289 1032 L C 0.426 177.342 176.870 0.078 0.000 1.046 1032 L CA -0.345 54.664 54.840 0.283 0.000 0.816 1032 L CB 0.722 42.838 42.059 0.095 0.000 1.197 1032 L HN 0.409 nan 8.230 nan 0.000 0.427 1033 S N 3.252 119.087 115.700 0.225 0.000 2.576 1033 S HA 0.221 4.691 4.470 -0.001 0.000 0.276 1033 S C 0.651 175.294 174.600 0.072 0.000 1.339 1033 S CA -0.086 58.253 58.200 0.232 0.000 1.039 1033 S CB 0.433 63.826 63.200 0.322 0.000 0.902 1033 S HN 0.563 nan 8.310 nan 0.000 0.516 1034 F N 2.417 122.431 119.950 0.107 0.000 2.749 1034 F HA 0.281 4.808 4.527 -0.001 0.000 0.300 1034 F C 2.242 177.949 175.800 -0.156 0.000 1.103 1034 F CA 0.102 58.062 58.000 -0.066 0.000 1.342 1034 F CB -0.312 38.669 39.000 -0.032 0.000 1.098 1034 F HN 0.760 nan 8.300 nan 0.000 0.586 1035 G N 1.454 110.343 108.800 0.147 0.000 2.433 1035 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.216 1035 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.216 1035 G C 1.496 176.429 174.900 0.055 0.000 1.186 1035 G CA 0.794 45.961 45.100 0.111 0.000 0.779 1035 G HN 0.613 nan 8.290 nan 0.000 0.543 1036 W N 1.242 122.586 121.300 0.073 0.000 2.538 1036 W HA 0.019 4.679 4.660 -0.001 0.000 0.254 1036 W C 1.338 177.883 176.519 0.043 0.000 1.249 1036 W CA 0.765 58.136 57.345 0.043 0.000 1.253 1036 W CB -0.993 28.480 29.460 0.021 0.000 1.130 1036 W HN 0.098 nan 8.180 nan 0.000 0.618 1037 V N 1.988 121.398 119.914 -0.841 0.000 2.469 1037 V HA -0.291 3.829 4.120 -0.001 0.000 0.251 1037 V C 2.867 178.784 176.094 -0.295 0.000 1.064 1037 V CA 2.481 64.246 62.300 -0.891 0.000 1.066 1037 V CB -1.056 30.362 31.823 -0.675 0.000 0.667 1037 V HN 0.245 nan 8.190 nan 0.000 0.461 1038 R N -0.026 120.399 120.500 -0.125 0.000 2.161 1038 R HA -0.132 4.208 4.340 -0.001 0.000 0.213 1038 R C 2.309 178.642 176.300 0.056 0.000 1.055 1038 R CA 0.965 57.054 56.100 -0.020 0.000 0.996 1038 R CB -0.112 30.187 30.300 -0.001 0.000 0.901 1038 R HN 0.488 nan 8.270 nan 0.000 0.456 1039 Q N 1.273 121.136 119.800 0.104 0.000 2.268 1039 Q HA -0.168 4.171 4.340 -0.001 0.000 0.210 1039 Q C 1.545 177.673 176.000 0.213 0.000 0.988 1039 Q CA 2.038 57.941 55.803 0.167 0.000 0.883 1039 Q CB -0.123 28.738 28.738 0.205 0.000 0.911 1039 Q HN 0.622 nan 8.270 nan 0.000 0.430 1040 I N -4.809 115.884 120.570 0.206 0.000 4.070 1040 I HA 0.263 4.433 4.170 -0.001 0.000 0.328 1040 I C 0.165 176.383 176.117 0.168 0.000 1.298 1040 I CA -0.305 61.145 61.300 0.250 0.000 1.173 1040 I CB 0.601 38.775 38.000 0.290 0.000 1.051 1040 I HN 0.039 nan 8.210 nan 0.000 0.409 1041 L N 0.965 122.254 121.223 0.111 0.000 3.512 1041 L HA -0.214 4.126 4.340 -0.001 0.000 0.446 1041 L C -0.434 176.483 176.870 0.078 0.000 1.290 1041 L CA 1.123 56.012 54.840 0.082 0.000 0.871 1041 L CB -1.615 40.493 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 0.070 0.000 2.831 1042 Q HA 0.683 5.022 4.340 -0.001 0.000 0.322 1042 Q C -0.904 175.126 176.000 0.049 0.000 0.923 1042 Q CA -1.192 54.650 55.803 0.066 0.000 0.767 1042 Q CB 2.019 30.799 28.738 0.071 0.000 1.469 1042 Q HN 0.067 nan 8.270 nan 0.000 0.496 1043 K N 0.703 121.132 120.400 0.048 0.000 2.444 1043 K HA 0.356 4.676 4.320 -0.001 0.000 0.252 1043 K C -0.828 175.767 176.600 -0.008 0.000 0.993 1043 K CA -0.782 55.524 56.287 0.032 0.000 0.847 1043 K CB 1.570 34.130 32.500 0.101 0.000 1.340 1043 K HN 0.674 nan 8.250 nan 0.000 0.446 1044 K N 0.140 120.514 120.400 -0.043 0.000 3.230 1044 K HA -0.156 4.163 4.320 -0.001 0.000 0.285 1044 K C -0.260 176.319 176.600 -0.036 0.000 1.196 1044 K CA 0.229 56.476 56.287 -0.067 0.000 0.838 1044 K CB -0.874 31.588 32.500 -0.063 0.000 1.262 1044 K HN 0.409 nan 8.250 nan 0.000 0.492 1045 V N 1.413 121.316 119.914 -0.018 0.000 3.237 1045 V HA 0.377 4.497 4.120 -0.001 0.000 0.305 1045 V C 0.061 176.182 176.094 0.044 0.000 1.096 1045 V CA 0.850 63.179 62.300 0.049 0.000 1.130 1045 V CB 1.513 33.404 31.823 0.114 0.000 1.048 1045 V HN 0.476 nan 8.190 nan 0.000 0.484 1046 S N 4.378 120.132 115.700 0.090 0.000 2.619 1046 S HA 0.556 5.026 4.470 -0.001 0.000 0.280 1046 S C -0.954 173.700 174.600 0.090 0.000 1.150 1046 S CA -0.635 57.607 58.200 0.069 0.000 0.978 1046 S CB 1.248 64.474 63.200 0.044 0.000 1.041 1046 S HN 1.013 nan 8.310 nan 0.000 0.485 1047 V N 3.665 123.621 119.914 0.070 0.000 2.481 1047 V HA 0.720 4.840 4.120 -0.001 0.000 0.286 1047 V C -0.655 175.447 176.094 0.014 0.000 1.042 1047 V CA -0.297 62.004 62.300 0.002 0.000 0.928 1047 V CB 1.422 33.178 31.823 -0.112 0.000 0.986 1047 V HN 0.897 nan 8.190 nan 0.000 0.462 1048 V N 6.051 125.971 119.914 0.010 0.000 2.628 1048 V HA 0.657 4.776 4.120 -0.001 0.000 0.306 1048 V C -0.023 176.088 176.094 0.028 0.000 1.045 1048 V CA -0.238 62.083 62.300 0.034 0.000 0.905 1048 V CB 2.354 34.203 31.823 0.044 0.000 0.997 1048 V HN 1.041 nan 8.190 nan 0.000 0.436 1049 S N 3.437 119.147 115.700 0.016 0.000 2.473 1049 S HA 0.795 5.264 4.470 -0.001 0.000 0.307 1049 S C -0.955 173.784 174.600 0.231 0.000 1.094 1049 S CA -0.642 57.617 58.200 0.098 0.000 1.070 1049 S CB 1.691 64.855 63.200 -0.060 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 0.295 0.000 2.483 1050 V HA 0.836 4.956 4.120 -0.001 0.000 0.295 1050 V C 0.241 176.549 176.094 0.357 0.000 1.035 1050 V CA -0.529 61.944 62.300 0.288 0.000 0.896 1050 V CB 1.290 33.228 31.823 0.192 0.000 0.986 1050 V HN 1.205 nan 8.190 nan 0.000 0.447 1051 A N 3.865 126.726 122.820 0.069 0.000 2.332 1051 A HA 0.744 5.064 4.320 -0.001 0.000 0.300 1051 A C -0.572 176.886 177.584 -0.211 0.000 1.153 1051 A CA -0.516 51.391 52.037 -0.217 0.000 0.764 1051 A CB 1.019 19.510 19.000 -0.848 0.000 1.174 1051 A HN 0.827 nan 8.150 nan 0.000 0.467 1052 E N 3.113 123.213 120.200 -0.167 0.000 2.224 1052 E HA 0.503 4.852 4.350 -0.001 0.000 0.265 1052 E C -1.379 175.111 176.600 -0.184 0.000 0.878 1052 E CA -0.524 55.821 56.400 -0.093 0.000 0.759 1052 E CB 1.496 31.238 29.700 0.069 0.000 1.164 1052 E HN 0.739 nan 8.360 nan 0.000 0.414 1053 I N 3.792 124.275 120.570 -0.144 0.000 2.472 1053 I HA 0.323 4.493 4.170 -0.001 0.000 0.290 1053 I C -0.297 175.789 176.117 -0.052 0.000 1.016 1053 I CA 0.118 61.350 61.300 -0.114 0.000 1.348 1053 I CB 1.081 39.037 38.000 -0.074 0.000 1.417 1053 I HN 0.664 nan 8.210 nan 0.000 0.521 1054 T N 3.491 118.019 114.554 -0.043 0.000 2.887 1054 T HA 0.779 5.129 4.350 -0.001 0.000 0.292 1054 T C -0.767 173.961 174.700 0.046 0.000 1.087 1054 T CA -0.661 61.337 62.100 -0.170 0.000 1.009 1054 T CB 1.851 70.621 68.868 -0.162 0.000 1.203 1054 T HN 0.576 nan 8.240 nan 0.000 0.518 1055 F N -1.718 118.226 119.950 -0.010 0.000 2.770 1055 F HA 0.582 5.108 4.527 -0.001 0.000 0.313 1055 F C -1.037 174.807 175.800 0.072 0.000 1.154 1055 F CA -1.448 56.568 58.000 0.025 0.000 0.923 1055 F CB 0.254 39.266 39.000 0.021 0.000 1.301 1055 F HN 0.574 nan 8.300 nan 0.000 0.449 1056 D N 1.625 122.209 120.400 0.307 0.000 2.402 1056 D HA 0.042 4.682 4.640 -0.001 0.000 0.268 1056 D C 1.452 177.877 176.300 0.208 0.000 1.294 1056 D CA 1.101 55.223 54.000 0.203 0.000 0.945 1056 D CB 1.118 42.048 40.800 0.216 0.000 1.112 1056 D HN 0.793 nan 8.370 nan 0.000 0.517 1057 T N 1.926 116.518 114.554 0.063 0.000 2.760 1057 T HA -0.200 4.149 4.350 -0.001 0.000 0.269 1057 T C 0.943 175.701 174.700 0.096 0.000 1.047 1057 T CA 1.564 63.692 62.100 0.046 0.000 1.139 1057 T CB -0.064 68.796 68.868 -0.014 0.000 0.855 1057 T HN 0.311 nan 8.240 nan 0.000 0.471 1058 S N -1.191 114.556 115.700 0.079 0.000 2.586 1058 S HA 0.478 4.948 4.470 -0.001 0.000 0.274 1058 S C 1.069 175.691 174.600 0.037 0.000 1.281 1058 S CA -0.214 58.016 58.200 0.051 0.000 1.035 1058 S CB 1.011 64.226 63.200 0.026 0.000 0.962 1058 S HN 0.609 nan 8.310 nan 0.000 0.512 1059 V N 2.520 122.423 119.914 -0.018 0.000 0.434 1059 V HA -0.269 3.851 4.120 -0.001 0.000 0.092 1059 V C -0.385 175.603 176.094 -0.176 0.000 2.581 1059 V CA 1.982 64.193 62.300 -0.148 0.000 3.733 1059 V CB -2.285 29.329 31.823 -0.347 0.000 1.002 1059 V HN 0.882 nan 8.190 nan 0.000 1.053 1060 Y N 1.102 121.533 120.300 0.218 0.000 2.509 1060 Y HA 0.781 5.331 4.550 -0.001 0.000 0.341 1060 Y C 0.333 176.393 175.900 0.267 0.000 1.038 1060 Y CA -0.103 58.136 58.100 0.233 0.000 1.089 1060 Y CB 2.098 40.676 38.460 0.197 0.000 1.241 1060 Y HN 0.490 nan 8.280 nan 0.000 0.468 1061 S N 0.322 116.272 115.700 0.417 0.000 2.688 1061 S HA 0.538 5.008 4.470 -0.001 0.000 0.275 1061 S C -1.481 173.303 174.600 0.307 0.000 1.175 1061 S CA -1.261 57.165 58.200 0.377 0.000 0.818 1061 S CB 2.215 65.537 63.200 0.204 0.000 1.157 1061 S HN 0.627 nan 8.310 nan 0.000 0.482 1062 Q N -0.215 119.743 119.800 0.263 0.000 2.235 1062 Q HA 0.551 4.890 4.340 -0.001 0.000 0.256 1062 Q C 0.488 176.551 176.000 0.106 0.000 0.951 1062 Q CA -0.867 55.035 55.803 0.165 0.000 0.890 1062 Q CB 1.370 30.203 28.738 0.159 0.000 1.279 1062 Q HN 0.716 nan 8.270 nan 0.000 0.444 1063 L N 2.352 123.636 121.223 0.100 0.000 2.145 1063 L HA 0.298 4.638 4.340 -0.001 0.000 0.201 1063 L C -0.992 175.907 176.870 0.048 0.000 1.075 1063 L CA 0.474 55.363 54.840 0.081 0.000 0.773 1063 L CB -1.680 40.436 42.059 0.095 0.000 0.936 1063 L HN 0.542 nan 8.230 nan 0.000 0.451 1064 P HA 0.132 nan 4.420 nan 0.000 0.234 1064 P C 0.965 178.264 177.300 -0.001 0.000 1.167 1064 P CA 1.566 64.674 63.100 0.013 0.000 0.763 1064 P CB 0.341 32.042 31.700 0.001 0.000 0.835 1065 G N -0.289 108.513 108.800 0.004 0.000 2.261 1065 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.228 1065 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.228 1065 G C -0.928 173.969 174.900 -0.004 0.000 2.090 1065 G CA -0.461 44.638 45.100 -0.002 0.000 1.588 1065 G HN 0.397 nan 8.290 nan 0.000 0.520 1066 Q N 0.776 120.563 119.800 -0.021 0.000 2.334 1066 Q HA 0.517 4.857 4.340 -0.001 0.000 0.249 1066 Q C -1.803 174.159 176.000 -0.064 0.000 0.909 1066 Q CA -0.291 55.496 55.803 -0.027 0.000 0.823 1066 Q CB 2.491 31.221 28.738 -0.015 0.000 1.353 1066 Q HN 0.525 nan 8.270 nan 0.000 0.433 1067 E N 1.059 121.201 120.200 -0.097 0.000 2.176 1067 E HA 0.497 4.847 4.350 -0.001 0.000 0.267 1067 E C -0.336 176.231 176.600 -0.056 0.000 0.893 1067 E CA -0.495 55.789 56.400 -0.193 0.000 0.761 1067 E CB 1.637 31.068 29.700 -0.448 0.000 1.133 1067 E HN 0.689 nan 8.360 nan 0.000 0.409 1068 A N 3.616 126.476 122.820 0.067 0.000 2.370 1068 A HA 0.093 4.413 4.320 -0.001 0.000 0.238 1068 A C 0.481 178.230 177.584 0.275 0.000 1.289 1068 A CA -0.168 51.950 52.037 0.135 0.000 0.885 1068 A CB -0.295 18.772 19.000 0.111 0.000 0.961 1068 A HN 0.513 nan 8.150 nan 0.000 0.499 1069 F N 0.416 120.336 119.950 -0.050 0.000 2.664 1069 F HA -0.057 4.470 4.527 -0.001 0.000 0.297 1069 F C 1.850 177.614 175.800 -0.060 0.000 1.164 1069 F CA 0.461 58.425 58.000 -0.060 0.000 1.472 1069 F CB -0.629 38.299 39.000 -0.120 0.000 1.108 1069 F HN 0.440 nan 8.300 nan 0.000 0.596 1070 M N -0.662 119.019 119.600 0.134 0.000 2.738 1070 M HA 0.327 4.807 4.480 -0.001 0.000 0.295 1070 M C 0.128 176.441 176.300 0.021 0.000 1.266 1070 M CA 0.263 55.601 55.300 0.063 0.000 0.985 1070 M CB 0.258 32.912 32.600 0.089 0.000 1.365 1070 M HN -0.028 nan 8.290 nan 0.000 0.492 1071 R N 1.279 121.797 120.500 0.031 0.000 3.107 1071 R HA 0.617 4.956 4.340 -0.001 0.000 0.251 1071 R C -1.426 174.891 176.300 0.027 0.000 1.818 1071 R CA -0.005 56.102 56.100 0.011 0.000 1.228 1071 R CB 0.869 31.181 30.300 0.020 0.000 1.459 1071 R HN 0.407 nan 8.270 nan 0.000 0.520 1072 A N 1.978 124.813 122.820 0.026 0.000 2.240 1072 A HA 0.607 4.927 4.320 -0.001 0.000 0.292 1072 A C -0.681 177.019 177.584 0.193 0.000 1.121 1072 A CA -0.346 51.764 52.037 0.123 0.000 0.851 1072 A CB 1.172 20.327 19.000 0.258 0.000 1.167 1072 A HN 0.653 nan 8.150 nan 0.000 0.503 1073 Q N -1.335 118.627 119.800 0.271 0.000 2.426 1073 Q HA 0.533 4.872 4.340 -0.001 0.000 0.278 1073 Q C -1.916 174.164 176.000 0.133 0.000 1.007 1073 Q CA -0.444 55.496 55.803 0.227 0.000 0.850 1073 Q CB 2.216 31.010 28.738 0.093 0.000 1.427 1073 Q HN 0.671 nan 8.270 nan 0.000 0.391 1074 T N 1.916 116.538 114.554 0.114 0.000 2.965 1074 T HA 0.274 4.623 4.350 -0.001 0.000 0.306 1074 T C -1.090 173.608 174.700 -0.003 0.000 0.991 1074 T CA -0.428 61.612 62.100 -0.100 0.000 1.001 1074 T CB 1.475 70.389 68.868 0.077 0.000 0.984 1074 T HN 0.461 nan 8.240 nan 0.000 0.446 1075 T N 3.223 117.690 114.554 -0.147 0.000 2.801 1075 T HA 0.467 4.817 4.350 -0.001 0.000 0.306 1075 T C 0.075 174.952 174.700 0.295 0.000 1.020 1075 T CA -0.178 61.961 62.100 0.066 0.000 0.948 1075 T CB 0.182 69.069 68.868 0.031 0.000 0.962 1075 T HN 0.499 nan 8.240 nan 0.000 0.465 1076 T N 4.079 118.854 114.554 0.368 0.000 2.918 1076 T HA 0.598 4.947 4.350 -0.001 0.000 0.283 1076 T C -0.362 174.384 174.700 0.077 0.000 1.001 1076 T CA -0.513 61.773 62.100 0.310 0.000 1.041 1076 T CB 1.252 70.246 68.868 0.210 0.000 1.028 1076 T HN 0.491 nan 8.240 nan 0.000 0.511 1077 V N 2.974 122.840 119.914 -0.081 0.000 2.604 1077 V HA 0.423 4.542 4.120 -0.001 0.000 0.305 1077 V C -0.561 175.279 176.094 -0.423 0.000 1.043 1077 V CA -0.755 61.438 62.300 -0.180 0.000 0.888 1077 V CB 1.694 33.417 31.823 -0.167 0.000 0.995 1077 V HN 0.615 nan 8.190 nan 0.000 0.429 1078 L N 3.451 124.493 121.223 -0.301 0.000 3.030 1078 L HA 0.365 4.704 4.340 -0.001 0.000 0.252 1078 L C 0.596 177.312 176.870 -0.256 0.000 1.316 1078 L CA 0.408 55.031 54.840 -0.361 0.000 0.975 1078 L CB 0.442 42.367 42.059 -0.222 0.000 1.357 1078 L HN 0.751 nan 8.230 nan 0.000 0.534 1079 E N 2.436 122.466 120.200 -0.283 0.000 2.104 1079 E HA 0.180 4.530 4.350 -0.001 0.000 0.278 1079 E C -0.682 175.795 176.600 -0.205 0.000 1.127 1079 E CA -0.095 56.176 56.400 -0.215 0.000 0.897 1079 E CB 0.381 29.932 29.700 -0.248 0.000 1.043 1079 E HN 0.143 nan 8.360 nan 0.000 0.410 1080 K N 4.857 125.212 120.400 -0.075 0.000 2.637 1080 K HA 0.156 4.476 4.320 -0.001 0.000 0.248 1080 K C -1.488 175.187 176.600 0.124 0.000 0.971 1080 K CA -0.705 55.582 56.287 0.001 0.000 0.858 1080 K CB 1.234 33.764 32.500 0.051 0.000 1.170 1080 K HN 0.457 nan 8.250 nan 0.000 0.443 1081 Y N 2.319 122.654 120.300 0.057 0.000 2.612 1081 Y HA 0.370 4.919 4.550 -0.001 0.000 0.334 1081 Y C 0.363 176.320 175.900 0.095 0.000 1.227 1081 Y CA -0.042 58.124 58.100 0.110 0.000 1.356 1081 Y CB 0.822 39.423 38.460 0.235 0.000 1.534 1081 Y HN 0.547 nan 8.280 nan 0.000 0.576 1082 K N 0.000 120.025 120.400 -0.625 0.000 2.780 1082 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1082 K CA 0.000 56.033 56.287 -0.424 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