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 1sqj_1_A DATA FIRST_RESID 4 DATA SEQUENCE YEFKNVAIGG GGYITGIVAH PKTKDLLYAR TDIGGAYRWD AGTSKWIPLN DATA SEQUENCE DFIEAQDMNI MGTESIALDP NNPDRLYLAQ GRYVGDEWAA FYVSEDRGQS DATA SEQUENCE FTIYESPFPM GANDMGRNNG ERLAVNPFNS NEVWMGTRTE GIWKSSDRAK DATA SEQUENCE TWTNVTSIPD AFTNGIGYTS VIFDPERNGT IYASATAPQG MYVTHDGGVS DATA SEQUENCE WEPVAGQPSS WLNRTTGAFP DKKPASIAPQ PMKVALTPNF LYVTYADYPG DATA SEQUENCE PWGVTFGEVW RQNRTSGAWD DITPRVGNSS PAPYNNQTFP AGGFCGLSVD DATA SEQUENCE ATNPNRLVVI TLDRDPGPAL DSIYLSTDAG ATWKDVTQLS SPSNLEGNWG DATA SEQUENCE HPTNAARYKD GTPVPWLDFN NGPQWGGYGA PHGTPGLTKF GWWMSAVLID DATA SEQUENCE PFNPEHLMYG TGATIWATDT LSRVEKDWAP SWYLQIDGIE ENAILSLRSP DATA SEQUENCE KSGAALLSGI GDISGMKHDD LTKPQKMFGA PQFSNLDSID AAGNFPNVVV DATA SEQUENCE RAGSSGHEYD SAcARGAYAT DGGDAWTIFP TcPPGMNASH YQGSTIAVDA DATA SEQUENCE SGSQIVWSTK LDEQASGPWY SHDYGKTWSV PAGDLKAQTA NVLSDKVQDG DATA SEQUENCE TFYATDGGKF FVSTDGGKSY AAKGAGLVTG TSLMPAVNPW VAGDVWVPVP DATA SEQUENCE EGGLFHSTDF GASFTRVGTA NATLVSVGAP KXXXXXXXXX APSAVFIWGT DATA SEQUENCE DKPGSDIGLY RSDDNGSTWT RVNDQEHNYS GPTMIEADPK VYGRVYLGTN DATA SEQUENCE GRGIVYADLT NXXXXEEKST AKcANGQKGT HcY 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 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.878 175.900 -0.036 0.000 1.272 4 Y CA 0.000 58.066 58.100 -0.056 0.000 1.940 4 Y CB 0.000 38.422 38.460 -0.063 0.000 1.050 5 E N 3.520 123.765 120.200 0.075 0.000 2.183 5 E HA 0.499 4.852 4.350 0.005 0.000 0.271 5 E C -1.671 174.864 176.600 -0.109 0.000 0.919 5 E CA -0.713 55.714 56.400 0.046 0.000 0.781 5 E CB 1.236 30.941 29.700 0.007 0.000 1.140 5 E HN 0.440 nan 8.360 nan 0.000 0.402 6 F N 2.927 122.818 119.950 -0.098 0.000 2.436 6 F HA 0.429 4.958 4.527 0.005 0.000 0.340 6 F C 0.323 176.022 175.800 -0.167 0.000 1.113 6 F CA -0.522 57.398 58.000 -0.133 0.000 1.022 6 F CB 1.417 40.438 39.000 0.037 0.000 1.128 6 F HN 0.158 nan 8.300 nan 0.000 0.466 7 K N 1.621 121.843 120.400 -0.297 0.000 2.509 7 K HA 0.387 4.710 4.320 0.005 0.000 0.266 7 K C -1.478 174.992 176.600 -0.218 0.000 0.987 7 K CA -1.282 54.857 56.287 -0.247 0.000 0.868 7 K CB 2.001 34.305 32.500 -0.326 0.000 1.421 7 K HN 0.419 nan 8.250 nan 0.000 0.444 8 N N 0.054 118.765 118.700 0.019 0.000 2.518 8 N HA 0.174 4.917 4.740 0.005 0.000 0.283 8 N C -0.895 174.793 175.510 0.297 0.000 1.119 8 N CA -0.418 52.704 53.050 0.120 0.000 0.983 8 N CB 1.071 39.635 38.487 0.127 0.000 1.139 8 N HN 0.171 nan 8.380 nan 0.000 0.465 9 V N 2.045 122.150 119.914 0.318 0.000 2.485 9 V HA 0.175 4.298 4.120 0.005 0.000 0.287 9 V C 0.558 176.759 176.094 0.179 0.000 1.022 9 V CA -0.442 61.985 62.300 0.211 0.000 1.067 9 V CB 0.050 31.851 31.823 -0.037 0.000 0.967 9 V HN 0.755 nan 8.190 nan 0.000 0.479 10 A N 5.920 128.868 122.820 0.214 0.000 2.401 10 A HA 0.650 4.973 4.320 0.005 0.000 0.259 10 A C 0.595 178.318 177.584 0.232 0.000 1.103 10 A CA -0.042 52.133 52.037 0.229 0.000 0.789 10 A CB 0.187 19.331 19.000 0.240 0.000 1.035 10 A HN 0.852 nan 8.150 nan 0.000 0.491 11 I N 0.956 121.674 120.570 0.247 0.000 3.859 11 I HA 0.374 4.547 4.170 0.005 0.000 0.266 11 I C 1.039 177.476 176.117 0.534 0.000 1.132 11 I CA 0.620 62.074 61.300 0.256 0.000 1.361 11 I CB 0.518 38.516 38.000 -0.003 0.000 1.690 11 I HN 0.935 nan 8.210 nan 0.000 0.424 12 G N 1.483 110.533 108.800 0.416 0.000 2.905 12 G HA2 0.298 4.261 3.960 0.005 0.000 0.210 12 G HA3 0.298 4.261 3.960 0.005 0.000 0.210 12 G C 0.439 175.574 174.900 0.393 0.000 0.991 12 G CA -0.153 45.220 45.100 0.454 0.000 1.210 12 G HN 0.992 nan 8.290 nan 0.000 0.602 13 G N 0.545 109.476 108.800 0.220 0.000 3.594 13 G HA2 0.369 4.332 3.960 0.005 0.000 0.285 13 G HA3 0.369 4.332 3.960 0.005 0.000 0.285 13 G C 1.675 176.669 174.900 0.157 0.000 1.551 13 G CA 2.357 47.533 45.100 0.127 0.000 1.061 13 G HN 2.746 nan 8.290 nan 0.000 0.624 14 G N -0.544 108.423 108.800 0.278 0.000 2.176 14 G HA2 0.354 4.317 3.960 0.005 0.000 0.253 14 G HA3 0.354 4.317 3.960 0.005 0.000 0.253 14 G C 1.538 176.529 174.900 0.151 0.000 0.979 14 G CA 1.172 46.350 45.100 0.130 0.000 0.641 14 G HN 2.482 nan 8.290 nan 0.000 0.530 15 G N -1.640 107.267 108.800 0.178 0.000 2.975 15 G HA2 0.579 4.542 3.960 0.005 0.000 0.291 15 G HA3 0.579 4.542 3.960 0.005 0.000 0.291 15 G C -1.271 173.791 174.900 0.269 0.000 1.334 15 G CA -0.506 44.722 45.100 0.212 0.000 0.843 15 G HN 0.797 nan 8.290 nan 0.000 0.548 16 Y N 1.418 121.813 120.300 0.159 0.000 2.383 16 Y HA 0.496 5.049 4.550 0.005 0.000 0.344 16 Y C 0.018 175.986 175.900 0.114 0.000 0.986 16 Y CA -2.063 56.154 58.100 0.196 0.000 1.175 16 Y CB 0.387 39.065 38.460 0.364 0.000 1.152 16 Y HN 0.117 nan 8.280 nan 0.000 0.511 17 I N 7.243 127.826 120.570 0.021 0.000 2.312 17 I HA 0.071 4.244 4.170 0.005 0.000 0.291 17 I C 1.090 176.956 176.117 -0.418 0.000 1.031 17 I CA 0.044 61.231 61.300 -0.188 0.000 1.293 17 I CB 0.830 38.768 38.000 -0.104 0.000 1.403 17 I HN 0.729 nan 8.210 nan 0.000 0.484 18 T N 1.395 115.678 114.554 -0.452 0.000 3.069 18 T HA 0.408 4.761 4.350 0.005 0.000 0.252 18 T C 0.666 175.258 174.700 -0.180 0.000 1.053 18 T CA -0.235 61.587 62.100 -0.463 0.000 0.964 18 T CB 0.391 69.001 68.868 -0.430 0.000 1.005 18 T HN 0.790 nan 8.240 nan 0.000 0.532 19 G N 0.719 109.453 108.800 -0.110 0.000 2.503 19 G HA2 0.509 4.472 3.960 0.005 0.000 0.305 19 G HA3 0.509 4.472 3.960 0.005 0.000 0.305 19 G C -1.757 173.145 174.900 0.002 0.000 1.575 19 G CA -1.029 44.059 45.100 -0.019 0.000 0.890 19 G HN 0.330 nan 8.290 nan 0.000 0.612 20 I N 1.320 121.925 120.570 0.058 0.000 2.466 20 I HA 0.586 4.759 4.170 0.005 0.000 0.289 20 I C -0.307 175.912 176.117 0.169 0.000 1.026 20 I CA -1.173 60.193 61.300 0.111 0.000 1.078 20 I CB 2.253 40.318 38.000 0.108 0.000 1.249 20 I HN 0.255 nan 8.210 nan 0.000 0.429 21 V N 4.589 124.653 119.914 0.249 0.000 2.735 21 V HA 0.862 4.985 4.120 0.005 0.000 0.310 21 V C -0.158 176.130 176.094 0.324 0.000 1.061 21 V CA -0.556 61.903 62.300 0.265 0.000 0.913 21 V CB 1.888 33.876 31.823 0.275 0.000 1.005 21 V HN 0.831 nan 8.190 nan 0.000 0.428 22 A N 1.809 124.794 122.820 0.275 0.000 2.401 22 A HA 0.739 5.062 4.320 0.005 0.000 0.310 22 A C -1.019 176.752 177.584 0.311 0.000 1.075 22 A CA -0.647 51.569 52.037 0.300 0.000 0.746 22 A CB 0.970 20.120 19.000 0.249 0.000 1.277 22 A HN 1.021 nan 8.150 nan 0.000 0.425 23 H N 3.038 122.286 119.070 0.296 0.000 2.690 23 H HA 0.342 4.901 4.556 0.005 0.000 0.314 23 H C -1.467 174.046 175.328 0.308 0.000 1.069 23 H CA -1.167 55.052 56.048 0.285 0.000 1.436 23 H CB 1.236 31.161 29.762 0.272 0.000 1.462 23 H HN 0.369 nan 8.280 nan 0.000 0.511 24 P HA -0.109 nan 4.420 nan 0.000 0.228 24 P C 0.155 177.652 177.300 0.329 0.000 1.151 24 P CA 1.272 64.428 63.100 0.094 0.000 0.770 24 P CB 0.418 32.089 31.700 -0.048 0.000 0.786 25 K N -1.912 118.900 120.400 0.686 0.000 2.502 25 K HA 0.142 4.465 4.320 0.005 0.000 0.211 25 K C 0.037 176.934 176.600 0.495 0.000 1.259 25 K CA 0.321 56.990 56.287 0.636 0.000 0.983 25 K CB 0.866 33.630 32.500 0.440 0.000 1.054 25 K HN -0.040 nan 8.250 nan 0.000 0.572 26 T N 2.142 116.921 114.554 0.375 0.000 2.788 26 T HA 0.195 4.548 4.350 0.005 0.000 0.296 26 T C -0.579 173.935 174.700 -0.310 0.000 1.009 26 T CA -0.539 61.498 62.100 -0.105 0.000 0.949 26 T CB 1.609 70.370 68.868 -0.179 0.000 0.946 26 T HN -0.014 nan 8.240 nan 0.000 0.453 27 K N 2.672 122.512 120.400 -0.933 0.000 2.524 27 K HA -0.057 4.266 4.320 0.005 0.000 0.279 27 K C 0.093 176.579 176.600 -0.190 0.000 0.993 27 K CA 0.460 56.280 56.287 -0.779 0.000 1.030 27 K CB 0.172 32.243 32.500 -0.715 0.000 0.891 27 K HN 0.591 nan 8.250 nan 0.000 0.488 28 D N 1.302 121.709 120.400 0.011 0.000 3.077 28 D HA -0.242 4.401 4.640 0.005 0.000 0.217 28 D C -0.414 175.969 176.300 0.139 0.000 1.162 28 D CA 0.863 54.932 54.000 0.116 0.000 0.943 28 D CB -0.942 39.934 40.800 0.128 0.000 1.122 28 D HN 0.482 nan 8.370 nan 0.000 0.413 29 L N 1.143 122.430 121.223 0.107 0.000 2.356 29 L HA 0.253 4.596 4.340 0.005 0.000 0.282 29 L C -0.757 176.195 176.870 0.137 0.000 1.132 29 L CA -0.253 54.638 54.840 0.085 0.000 0.923 29 L CB 0.100 42.219 42.059 0.101 0.000 1.278 29 L HN -0.142 nan 8.230 nan 0.000 0.436 30 L N 4.866 126.117 121.223 0.047 0.000 2.381 30 L HA 0.567 4.910 4.340 0.005 0.000 0.268 30 L C -0.903 176.059 176.870 0.154 0.000 0.997 30 L CA -0.455 54.493 54.840 0.179 0.000 0.818 30 L CB 1.985 44.145 42.059 0.168 0.000 1.310 30 L HN 0.249 nan 8.230 nan 0.000 0.416 31 Y N 0.418 121.027 120.300 0.514 0.000 2.576 31 Y HA 0.840 5.393 4.550 0.005 0.000 0.346 31 Y C -0.044 176.028 175.900 0.287 0.000 1.018 31 Y CA -1.044 57.355 58.100 0.499 0.000 1.050 31 Y CB 2.285 40.953 38.460 0.347 0.000 1.280 31 Y HN 0.619 nan 8.280 nan 0.000 0.474 32 A N 2.084 125.053 122.820 0.248 0.000 2.386 32 A HA 0.874 5.197 4.320 0.005 0.000 0.311 32 A C -1.060 176.552 177.584 0.047 0.000 1.068 32 A CA -1.008 50.985 52.037 -0.073 0.000 0.743 32 A CB 1.312 19.907 19.000 -0.674 0.000 1.258 32 A HN 0.826 nan 8.150 nan 0.000 0.429 33 R N 0.142 120.637 120.500 -0.008 0.000 2.732 33 R HA 0.864 5.207 4.340 0.005 0.000 0.278 33 R C -0.504 175.748 176.300 -0.079 0.000 0.976 33 R CA -0.145 55.947 56.100 -0.014 0.000 0.963 33 R CB 1.691 31.977 30.300 -0.023 0.000 1.150 33 R HN 0.732 nan 8.270 nan 0.000 0.478 34 T N -2.263 112.254 114.554 -0.062 0.000 2.883 34 T HA 0.205 4.558 4.350 0.005 0.000 0.296 34 T C 0.084 174.732 174.700 -0.086 0.000 1.117 34 T CA -0.597 61.455 62.100 -0.081 0.000 1.006 34 T CB 1.778 70.651 68.868 0.009 0.000 1.191 34 T HN 0.677 nan 8.240 nan 0.000 0.508 35 D N 0.913 121.275 120.400 -0.063 0.000 2.162 35 D HA -0.014 4.629 4.640 0.005 0.000 0.203 35 D C 1.549 177.810 176.300 -0.065 0.000 0.967 35 D CA 1.136 55.107 54.000 -0.049 0.000 0.840 35 D CB -0.364 40.468 40.800 0.054 0.000 0.972 35 D HN 0.770 nan 8.370 nan 0.000 0.482 36 I N -4.475 116.087 120.570 -0.013 0.000 4.147 36 I HA 0.565 4.738 4.170 0.005 0.000 0.329 36 I C 1.118 177.224 176.117 -0.018 0.000 1.424 36 I CA -0.362 60.921 61.300 -0.028 0.000 1.127 36 I CB 1.101 39.120 38.000 0.031 0.000 1.128 36 I HN -0.024 nan 8.210 nan 0.000 0.417 37 G N 0.620 109.419 108.800 -0.001 0.000 3.969 37 G HA2 0.561 4.524 3.960 0.005 0.000 0.291 37 G HA3 0.561 4.524 3.960 0.005 0.000 0.291 37 G C 0.700 175.592 174.900 -0.014 0.000 1.016 37 G CA 0.088 45.208 45.100 0.033 0.000 0.819 37 G HN 0.718 nan 8.290 nan 0.000 0.493 38 G N 0.041 108.784 108.800 -0.095 0.000 2.601 38 G HA2 0.286 4.249 3.960 0.005 0.000 0.261 38 G HA3 0.286 4.249 3.960 0.005 0.000 0.261 38 G C 0.331 175.177 174.900 -0.091 0.000 1.289 38 G CA -0.092 44.910 45.100 -0.163 0.000 0.920 38 G HN 1.539 nan 8.290 nan 0.000 0.571 39 A N -1.412 121.329 122.820 -0.131 0.000 2.350 39 A HA 0.936 5.259 4.320 0.005 0.000 0.318 39 A C -1.027 176.542 177.584 -0.024 0.000 1.132 39 A CA -0.416 51.637 52.037 0.026 0.000 0.811 39 A CB 1.435 20.474 19.000 0.066 0.000 1.313 39 A HN 1.379 nan 8.150 nan 0.000 0.454 40 Y N -0.749 119.670 120.300 0.199 0.000 2.562 40 Y HA 0.614 5.167 4.550 0.005 0.000 0.345 40 Y C 0.106 176.338 175.900 0.553 0.000 1.045 40 Y CA -0.601 57.683 58.100 0.306 0.000 1.028 40 Y CB 2.142 40.702 38.460 0.167 0.000 1.297 40 Y HN 0.780 nan 8.280 nan 0.000 0.463 41 R N 2.778 123.699 120.500 0.701 0.000 2.437 41 R HA 0.196 4.539 4.340 0.005 0.000 0.310 41 R C -1.120 175.441 176.300 0.434 0.000 0.955 41 R CA -0.573 55.796 56.100 0.448 0.000 0.851 41 R CB 1.001 31.448 30.300 0.245 0.000 1.161 41 R HN 0.901 nan 8.270 nan 0.000 0.446 42 W N 6.216 127.528 121.300 0.021 0.000 2.251 42 W HA 0.025 4.688 4.660 0.005 0.000 0.327 42 W C -0.926 175.419 176.519 -0.290 0.000 1.361 42 W CA 0.312 57.365 57.345 -0.486 0.000 1.234 42 W CB 0.755 29.719 29.460 -0.826 0.000 1.212 42 W HN 0.589 nan 8.180 nan 0.000 0.557 43 D N 5.031 124.814 120.400 -1.029 0.000 2.460 43 D HA 0.305 4.948 4.640 0.005 0.000 0.232 43 D C 0.881 176.453 176.300 -1.213 0.000 1.079 43 D CA 0.001 53.493 54.000 -0.848 0.000 0.864 43 D CB 1.639 42.141 40.800 -0.497 0.000 1.048 43 D HN 0.508 nan 8.370 nan 0.000 0.523 44 A N 3.385 125.732 122.820 -0.789 0.000 1.978 44 A HA -0.098 4.225 4.320 0.005 0.000 0.220 44 A C 2.015 179.413 177.584 -0.310 0.000 1.170 44 A CA 1.826 53.631 52.037 -0.386 0.000 0.636 44 A CB -0.585 18.391 19.000 -0.039 0.000 0.810 44 A HN 0.638 nan 8.150 nan 0.000 0.448 45 G N -0.590 108.039 108.800 -0.286 0.000 2.446 45 G HA2 -0.210 3.753 3.960 0.005 0.000 0.217 45 G HA3 -0.210 3.753 3.960 0.005 0.000 0.217 45 G C 1.561 176.335 174.900 -0.210 0.000 1.168 45 G CA 1.982 46.962 45.100 -0.199 0.000 0.771 45 G HN 0.856 nan 8.290 nan 0.000 0.551 46 T N -3.137 111.240 114.554 -0.295 0.000 3.092 46 T HA 0.331 4.684 4.350 0.005 0.000 0.258 46 T C 1.022 175.514 174.700 -0.347 0.000 1.031 46 T CA 0.845 62.789 62.100 -0.260 0.000 0.925 46 T CB 0.009 68.750 68.868 -0.212 0.000 1.036 46 T HN 0.344 nan 8.240 nan 0.000 0.544 47 S N 1.118 116.497 115.700 -0.535 0.000 3.559 47 S HA -0.145 4.328 4.470 0.005 0.000 0.369 47 S C -0.229 173.900 174.600 -0.785 0.000 0.987 47 S CA 0.659 58.465 58.200 -0.657 0.000 1.187 47 S CB -1.593 61.539 63.200 -0.113 0.000 0.914 47 S HN 0.781 nan 8.310 nan 0.000 0.480 48 K N -0.775 118.975 120.400 -1.085 0.000 2.469 48 K HA 0.436 4.759 4.320 0.005 0.000 0.254 48 K C -0.839 175.416 176.600 -0.575 0.000 0.939 48 K CA -0.704 55.241 56.287 -0.570 0.000 0.812 48 K CB 1.357 33.700 32.500 -0.262 0.000 1.301 48 K HN 0.219 nan 8.250 nan 0.000 0.433 49 W N 2.799 124.093 121.300 -0.011 0.000 2.261 49 W HA 0.378 5.041 4.660 0.005 0.000 0.323 49 W C 0.123 176.769 176.519 0.212 0.000 1.243 49 W CA -0.456 56.989 57.345 0.167 0.000 1.210 49 W CB 0.492 30.047 29.460 0.158 0.000 1.149 49 W HN 0.205 nan 8.180 nan 0.000 0.562 50 I N 6.000 126.874 120.570 0.507 0.000 2.362 50 I HA 0.221 4.394 4.170 0.005 0.000 0.289 50 I C -1.843 174.472 176.117 0.330 0.000 0.994 50 I CA -2.463 59.041 61.300 0.340 0.000 1.158 50 I CB 1.401 39.502 38.000 0.169 0.000 1.315 50 I HN -0.005 nan 8.210 nan 0.000 0.451 51 P HA 0.086 nan 4.420 nan 0.000 0.268 51 P C 0.065 177.279 177.300 -0.144 0.000 1.204 51 P CA 0.071 62.952 63.100 -0.365 0.000 0.768 51 P CB 1.170 32.715 31.700 -0.259 0.000 0.842 52 L N 2.440 123.569 121.223 -0.156 0.000 2.766 52 L HA 0.247 4.590 4.340 0.005 0.000 0.242 52 L C 0.921 177.794 176.870 0.006 0.000 1.136 52 L CA 0.425 55.333 54.840 0.114 0.000 0.933 52 L CB -0.276 41.994 42.059 0.353 0.000 1.241 52 L HN 0.349 nan 8.230 nan 0.000 0.522 53 N N -0.861 117.625 118.700 -0.357 0.000 2.299 53 N HA 0.036 4.779 4.740 0.005 0.000 0.246 53 N C 0.078 175.004 175.510 -0.973 0.000 1.254 53 N CA -0.191 52.392 53.050 -0.779 0.000 0.879 53 N CB 0.679 38.889 38.487 -0.462 0.000 1.214 53 N HN 0.016 nan 8.380 nan 0.000 0.510 54 D N 0.380 120.337 120.400 -0.739 0.000 2.363 54 D HA -0.050 4.593 4.640 0.005 0.000 0.226 54 D C 1.233 177.182 176.300 -0.584 0.000 1.020 54 D CA 0.477 54.109 54.000 -0.614 0.000 0.892 54 D CB 0.042 40.488 40.800 -0.590 0.000 0.900 54 D HN 0.462 nan 8.370 nan 0.000 0.531 55 F N -0.011 119.817 119.950 -0.204 0.000 2.604 55 F HA 0.164 4.693 4.527 0.005 0.000 0.298 55 F C 0.996 176.755 175.800 -0.069 0.000 1.131 55 F CA -0.455 57.452 58.000 -0.154 0.000 1.457 55 F CB -1.023 37.912 39.000 -0.108 0.000 1.095 55 F HN -0.221 nan 8.300 nan 0.000 0.574 56 I N 2.185 122.677 120.570 -0.130 0.000 2.668 56 I HA -0.043 4.130 4.170 0.005 0.000 0.285 56 I C 0.521 176.693 176.117 0.091 0.000 1.168 56 I CA 0.404 61.742 61.300 0.063 0.000 1.424 56 I CB 0.255 38.222 38.000 -0.055 0.000 1.377 56 I HN 0.197 nan 8.210 nan 0.000 0.560 57 E N 3.960 124.264 120.200 0.175 0.000 2.374 57 E HA 0.217 4.570 4.350 0.005 0.000 0.260 57 E C 1.014 177.714 176.600 0.167 0.000 1.101 57 E CA -0.068 56.441 56.400 0.181 0.000 0.907 57 E CB 1.017 30.826 29.700 0.182 0.000 1.014 57 E HN 0.722 nan 8.360 nan 0.000 0.427 58 A N 2.259 125.212 122.820 0.220 0.000 1.927 58 A HA -0.329 3.994 4.320 0.005 0.000 0.220 58 A C 1.988 179.653 177.584 0.135 0.000 1.185 58 A CA 2.283 54.429 52.037 0.183 0.000 0.639 58 A CB -0.788 18.419 19.000 0.345 0.000 0.820 58 A HN 0.774 nan 8.150 nan 0.000 0.451 59 Q N -1.374 118.496 119.800 0.116 0.000 2.297 59 Q HA -0.088 4.255 4.340 0.005 0.000 0.204 59 Q C -0.187 175.889 176.000 0.127 0.000 0.962 59 Q CA 1.311 57.147 55.803 0.055 0.000 0.879 59 Q CB -0.185 28.491 28.738 -0.103 0.000 0.947 59 Q HN 0.475 nan 8.270 nan 0.000 0.462 60 D N 0.384 120.896 120.400 0.188 0.000 2.615 60 D HA 0.124 4.767 4.640 0.005 0.000 0.236 60 D C 0.903 177.270 176.300 0.112 0.000 1.233 60 D CA -0.112 54.043 54.000 0.257 0.000 0.829 60 D CB 0.250 41.289 40.800 0.398 0.000 1.024 60 D HN 0.306 nan 8.370 nan 0.000 0.490 61 M N 0.564 120.214 119.600 0.083 0.000 2.108 61 M HA -0.184 4.299 4.480 0.005 0.000 0.261 61 M C 0.882 177.175 176.300 -0.012 0.000 1.066 61 M CA 1.329 56.648 55.300 0.033 0.000 1.107 61 M CB 0.149 32.775 32.600 0.044 0.000 1.356 61 M HN -0.100 nan 8.290 nan 0.000 0.406 62 N N 0.664 119.365 118.700 0.001 0.000 2.609 62 N HA -0.049 4.694 4.740 0.005 0.000 0.190 62 N C 1.186 176.572 175.510 -0.206 0.000 1.157 62 N CA 0.735 53.744 53.050 -0.067 0.000 0.918 62 N CB -0.207 38.304 38.487 0.039 0.000 0.978 62 N HN 0.428 nan 8.380 nan 0.000 0.448 63 I N -0.127 120.313 120.570 -0.218 0.000 3.226 63 I HA 0.047 4.220 4.170 0.005 0.000 0.277 63 I C 0.904 176.836 176.117 -0.309 0.000 1.243 63 I CA 0.208 61.296 61.300 -0.353 0.000 1.459 63 I CB -0.592 37.194 38.000 -0.357 0.000 1.093 63 I HN 0.063 nan 8.210 nan 0.000 0.453 64 M N 2.127 121.602 119.600 -0.209 0.000 3.254 64 M HA 0.441 4.924 4.480 0.005 0.000 0.257 64 M C 0.017 176.197 176.300 -0.201 0.000 1.490 64 M CA -0.183 55.003 55.300 -0.191 0.000 1.620 64 M CB -0.907 31.622 32.600 -0.118 0.000 1.157 64 M HN 0.125 nan 8.290 nan 0.000 0.541 65 G N 1.734 110.382 108.800 -0.254 0.000 2.139 65 G HA2 0.296 4.259 3.960 0.005 0.000 0.315 65 G HA3 0.296 4.259 3.960 0.005 0.000 0.315 65 G C -1.226 173.511 174.900 -0.272 0.000 1.599 65 G CA -0.876 44.080 45.100 -0.240 0.000 0.960 65 G HN 0.303 nan 8.290 nan 0.000 0.615 66 T N 1.919 116.345 114.554 -0.213 0.000 2.762 66 T HA 0.276 4.629 4.350 0.005 0.000 0.303 66 T C 1.261 175.860 174.700 -0.167 0.000 0.977 66 T CA -0.202 61.773 62.100 -0.210 0.000 0.961 66 T CB 1.866 70.645 68.868 -0.147 0.000 0.944 66 T HN 0.739 nan 8.240 nan 0.000 0.481 67 E N 3.147 123.232 120.200 -0.192 0.000 2.072 67 E HA -0.020 4.333 4.350 0.005 0.000 0.191 67 E C 0.713 177.269 176.600 -0.073 0.000 0.985 67 E CA 0.629 56.945 56.400 -0.141 0.000 0.801 67 E CB 0.318 29.918 29.700 -0.167 0.000 0.750 67 E HN 0.477 nan 8.360 nan 0.000 0.452 68 S N -1.353 114.319 115.700 -0.048 0.000 2.550 68 S HA 0.522 4.995 4.470 0.005 0.000 0.270 68 S C -1.462 173.183 174.600 0.074 0.000 1.145 68 S CA -0.916 57.304 58.200 0.034 0.000 0.852 68 S CB 0.840 64.091 63.200 0.086 0.000 1.119 68 S HN 0.213 nan 8.310 nan 0.000 0.465 69 I N 2.671 123.305 120.570 0.108 0.000 2.433 69 I HA 0.712 4.885 4.170 0.005 0.000 0.292 69 I C -0.124 176.107 176.117 0.190 0.000 1.001 69 I CA -0.687 60.694 61.300 0.135 0.000 1.119 69 I CB 1.834 39.902 38.000 0.113 0.000 1.289 69 I HN 0.708 nan 8.210 nan 0.000 0.438 70 A N 7.495 130.463 122.820 0.248 0.000 2.356 70 A HA 0.831 5.154 4.320 0.005 0.000 0.310 70 A C -0.875 176.902 177.584 0.320 0.000 1.075 70 A CA -0.505 51.697 52.037 0.275 0.000 0.746 70 A CB 1.064 20.234 19.000 0.283 0.000 1.221 70 A HN 0.655 nan 8.150 nan 0.000 0.443 71 L N 1.168 122.552 121.223 0.268 0.000 2.352 71 L HA 0.476 4.819 4.340 0.005 0.000 0.269 71 L C -0.320 176.708 176.870 0.263 0.000 1.034 71 L CA -0.959 54.060 54.840 0.299 0.000 0.806 71 L CB 1.387 43.635 42.059 0.316 0.000 1.244 71 L HN 0.690 nan 8.230 nan 0.000 0.447 72 D N 2.518 123.106 120.400 0.314 0.000 2.373 72 D HA 0.203 4.846 4.640 0.005 0.000 0.227 72 D C -1.759 174.664 176.300 0.204 0.000 1.091 72 D CA -2.186 51.952 54.000 0.230 0.000 0.840 72 D CB 1.772 42.743 40.800 0.286 0.000 1.060 72 D HN 0.161 nan 8.370 nan 0.000 0.502 73 P HA -0.101 nan 4.420 nan 0.000 0.219 73 P C 0.598 177.968 177.300 0.116 0.000 1.146 73 P CA 0.782 63.843 63.100 -0.065 0.000 0.808 73 P CB 0.517 32.157 31.700 -0.099 0.000 0.779 74 N N -0.570 118.185 118.700 0.092 0.000 2.373 74 N HA 0.033 4.776 4.740 0.005 0.000 0.181 74 N C 0.085 175.667 175.510 0.119 0.000 1.082 74 N CA 0.456 53.554 53.050 0.080 0.000 0.885 74 N CB 0.099 38.586 38.487 -0.001 0.000 0.977 74 N HN 0.243 nan 8.380 nan 0.000 0.462 75 N N 0.869 119.673 118.700 0.173 0.000 2.607 75 N HA 0.156 4.899 4.740 0.005 0.000 0.271 75 N C -2.251 173.360 175.510 0.169 0.000 1.142 75 N CA -0.851 52.278 53.050 0.133 0.000 0.810 75 N CB 2.675 41.224 38.487 0.103 0.000 1.306 75 N HN -0.023 nan 8.380 nan 0.000 0.536 76 P HA -0.063 nan 4.420 nan 0.000 0.223 76 P C 0.327 177.616 177.300 -0.017 0.000 1.151 76 P CA 1.010 63.998 63.100 -0.187 0.000 0.787 76 P CB 0.524 31.899 31.700 -0.542 0.000 0.788 77 D N -0.247 120.156 120.400 0.006 0.000 2.371 77 D HA -0.019 4.623 4.640 0.005 0.000 0.221 77 D C 0.889 177.205 176.300 0.026 0.000 0.986 77 D CA 0.533 54.545 54.000 0.021 0.000 0.899 77 D CB 0.011 40.807 40.800 -0.006 0.000 0.902 77 D HN 0.322 nan 8.370 nan 0.000 0.530 78 R N 0.468 120.997 120.500 0.048 0.000 2.490 78 R HA 0.537 4.880 4.340 0.005 0.000 0.278 78 R C -0.362 175.929 176.300 -0.014 0.000 1.069 78 R CA -0.595 55.491 56.100 -0.025 0.000 1.080 78 R CB 1.354 31.662 30.300 0.014 0.000 1.030 78 R HN -0.052 nan 8.270 nan 0.000 0.491 79 L N 2.079 123.182 121.223 -0.200 0.000 2.526 79 L HA 0.396 4.739 4.340 0.005 0.000 0.263 79 L C -1.953 174.790 176.870 -0.211 0.000 0.943 79 L CA -0.525 54.244 54.840 -0.118 0.000 0.859 79 L CB 1.672 43.659 42.059 -0.121 0.000 1.313 79 L HN 0.513 nan 8.230 nan 0.000 0.406 80 Y N 5.261 125.675 120.300 0.191 0.000 2.376 80 Y HA 0.771 5.324 4.550 0.005 0.000 0.340 80 Y C -0.876 175.174 175.900 0.251 0.000 0.965 80 Y CA -0.867 57.404 58.100 0.284 0.000 1.078 80 Y CB 2.018 40.652 38.460 0.290 0.000 1.193 80 Y HN 0.402 nan 8.280 nan 0.000 0.452 81 L N 2.816 124.279 121.223 0.400 0.000 2.381 81 L HA 0.751 5.094 4.340 0.005 0.000 0.274 81 L C -0.444 176.465 176.870 0.065 0.000 0.988 81 L CA -1.082 53.852 54.840 0.157 0.000 0.824 81 L CB 1.845 43.892 42.059 -0.020 0.000 1.263 81 L HN 0.767 nan 8.230 nan 0.000 0.410 82 A N 3.944 126.717 122.820 -0.078 0.000 2.252 82 A HA 0.726 5.049 4.320 0.005 0.000 0.309 82 A C -0.498 176.797 177.584 -0.481 0.000 1.285 82 A CA -0.497 51.278 52.037 -0.437 0.000 0.900 82 A CB 0.331 19.153 19.000 -0.296 0.000 1.157 82 A HN 0.593 nan 8.150 nan 0.000 0.536 83 Q N 0.994 120.396 119.800 -0.663 0.000 2.333 83 Q HA 0.672 5.015 4.340 0.005 0.000 0.267 83 Q C -0.263 175.384 176.000 -0.588 0.000 1.012 83 Q CA -0.172 55.235 55.803 -0.659 0.000 0.824 83 Q CB 2.251 30.394 28.738 -0.993 0.000 1.290 83 Q HN 1.331 nan 8.270 nan 0.000 0.449 84 G N 1.498 110.017 108.800 -0.467 0.000 2.226 84 G HA2 0.015 3.978 3.960 0.005 0.000 0.257 84 G HA3 0.015 3.978 3.960 0.005 0.000 0.257 84 G C -0.104 174.583 174.900 -0.356 0.000 1.732 84 G CA -0.760 44.091 45.100 -0.415 0.000 0.914 84 G HN 0.510 nan 8.290 nan 0.000 0.742 85 R N -0.018 120.236 120.500 -0.410 0.000 2.073 85 R HA 0.114 4.457 4.340 0.005 0.000 0.229 85 R C -0.000 175.893 176.300 -0.678 0.000 1.120 85 R CA 1.150 56.856 56.100 -0.656 0.000 0.967 85 R CB 0.112 29.807 30.300 -1.009 0.000 0.862 85 R HN 0.606 nan 8.270 nan 0.000 0.436 86 Y N -1.535 118.726 120.300 -0.065 0.000 2.524 86 Y HA 0.101 4.653 4.550 0.005 0.000 0.347 86 Y C 1.080 176.955 175.900 -0.042 0.000 1.005 86 Y CA -1.063 57.016 58.100 -0.035 0.000 1.025 86 Y CB 1.734 40.188 38.460 -0.011 0.000 1.275 86 Y HN -0.288 nan 8.280 nan 0.000 0.460 87 V N -1.137 118.861 119.914 0.140 0.000 2.626 87 V HA -0.041 4.082 4.120 0.005 0.000 0.252 87 V C 1.586 177.723 176.094 0.072 0.000 1.067 87 V CA 2.082 64.422 62.300 0.067 0.000 1.081 87 V CB -0.922 30.928 31.823 0.046 0.000 0.686 87 V HN 1.023 nan 8.190 nan 0.000 0.468 88 G N -0.104 108.752 108.800 0.093 0.000 2.848 88 G HA2 -0.006 3.957 3.960 0.005 0.000 0.208 88 G HA3 -0.006 3.957 3.960 0.005 0.000 0.208 88 G C 0.218 175.170 174.900 0.086 0.000 1.152 88 G CA -0.009 45.133 45.100 0.070 0.000 0.789 88 G HN 0.506 nan 8.290 nan 0.000 0.531 89 D N 0.046 120.513 120.400 0.112 0.000 2.390 89 D HA 0.017 4.660 4.640 0.005 0.000 0.236 89 D C 1.379 177.746 176.300 0.112 0.000 1.189 89 D CA -0.027 54.040 54.000 0.112 0.000 0.887 89 D CB 0.871 41.704 40.800 0.056 0.000 1.198 89 D HN 0.271 nan 8.370 nan 0.000 0.444 90 E N 0.614 120.907 120.200 0.154 0.000 2.049 90 E HA -0.132 4.221 4.350 0.005 0.000 0.198 90 E C 0.175 176.945 176.600 0.283 0.000 1.007 90 E CA 1.187 57.705 56.400 0.196 0.000 0.809 90 E CB 0.207 30.061 29.700 0.256 0.000 0.749 90 E HN 0.546 nan 8.360 nan 0.000 0.450 91 W N -1.325 119.970 121.300 -0.008 0.000 3.118 91 W HA 0.735 5.399 4.660 0.006 0.000 0.328 91 W C -1.478 175.005 176.519 -0.060 0.000 1.239 91 W CA -1.043 56.283 57.345 -0.031 0.000 1.176 91 W CB 0.234 29.678 29.460 -0.026 0.000 1.433 91 W HN -0.062 nan 8.180 nan 0.000 0.562 92 A N 1.089 123.821 122.820 -0.147 0.000 2.387 92 A HA 1.018 5.341 4.320 0.005 0.000 0.303 92 A C -1.236 176.078 177.584 -0.450 0.000 1.145 92 A CA -0.430 51.349 52.037 -0.431 0.000 0.801 92 A CB 1.373 20.163 19.000 -0.350 0.000 1.342 92 A HN 1.628 nan 8.150 nan 0.000 0.440 93 A N -0.350 122.110 122.820 -0.600 0.000 2.556 93 A HA 0.777 5.100 4.320 0.005 0.000 0.294 93 A C -1.561 175.738 177.584 -0.475 0.000 1.091 93 A CA -0.445 51.370 52.037 -0.369 0.000 0.704 93 A CB 0.827 19.592 19.000 -0.390 0.000 1.300 93 A HN 0.733 nan 8.150 nan 0.000 0.406 94 F N 1.067 121.098 119.950 0.135 0.000 2.427 94 F HA 0.557 5.087 4.527 0.005 0.000 0.346 94 F C -0.768 175.352 175.800 0.534 0.000 1.120 94 F CA -0.101 58.060 58.000 0.269 0.000 1.033 94 F CB 1.537 40.771 39.000 0.390 0.000 1.126 94 F HN 0.426 nan 8.300 nan 0.000 0.462 95 Y N 3.000 123.472 120.300 0.287 0.000 2.342 95 Y HA 0.540 5.093 4.550 0.005 0.000 0.338 95 Y C -0.217 175.936 175.900 0.422 0.000 0.965 95 Y CA -1.569 56.655 58.100 0.208 0.000 1.159 95 Y CB 1.249 39.531 38.460 -0.297 0.000 1.157 95 Y HN 0.155 nan 8.280 nan 0.000 0.486 96 V N 2.978 123.248 119.914 0.593 0.000 2.417 96 V HA 0.601 4.724 4.120 0.005 0.000 0.291 96 V C -0.157 176.077 176.094 0.234 0.000 1.024 96 V CA -0.684 61.826 62.300 0.350 0.000 0.861 96 V CB 1.790 33.824 31.823 0.352 0.000 0.985 96 V HN 0.727 nan 8.190 nan 0.000 0.436 97 S N 2.578 118.282 115.700 0.006 0.000 2.536 97 S HA 0.498 4.971 4.470 0.005 0.000 0.287 97 S C 0.210 174.702 174.600 -0.180 0.000 1.101 97 S CA -0.659 57.433 58.200 -0.180 0.000 0.950 97 S CB 1.874 64.806 63.200 -0.446 0.000 1.056 97 S HN 0.807 nan 8.310 nan 0.000 0.481 98 E N 1.930 122.043 120.200 -0.144 0.000 2.538 98 E HA 0.124 4.477 4.350 0.005 0.000 0.207 98 E C -0.717 175.833 176.600 -0.083 0.000 1.002 98 E CA 0.001 56.343 56.400 -0.095 0.000 0.952 98 E CB 0.243 29.908 29.700 -0.058 0.000 1.031 98 E HN 0.715 nan 8.360 nan 0.000 0.476 99 D N 0.312 120.640 120.400 -0.119 0.000 2.895 99 D HA 0.164 4.807 4.640 0.005 0.000 0.350 99 D C 0.116 176.377 176.300 -0.065 0.000 1.389 99 D CA -0.745 53.202 54.000 -0.088 0.000 0.812 99 D CB -0.062 40.678 40.800 -0.100 0.000 1.164 99 D HN -0.114 nan 8.370 nan 0.000 0.455 100 R N -0.161 120.332 120.500 -0.011 0.000 3.770 100 R HA -0.138 4.205 4.340 0.005 0.000 0.305 100 R C 1.081 177.464 176.300 0.138 0.000 1.184 100 R CA 0.649 56.830 56.100 0.136 0.000 0.823 100 R CB -2.002 28.386 30.300 0.148 0.000 1.285 100 R HN 0.668 nan 8.270 nan 0.000 0.499 101 G N -0.595 108.125 108.800 -0.134 0.000 2.175 101 G HA2 -0.372 3.591 3.960 0.005 0.000 0.244 101 G HA3 -0.372 3.591 3.960 0.005 0.000 0.244 101 G C 0.668 175.380 174.900 -0.312 0.000 0.982 101 G CA 0.516 45.436 45.100 -0.300 0.000 0.641 101 G HN 0.489 nan 8.290 nan 0.000 0.527 102 Q N 0.096 119.775 119.800 -0.202 0.000 2.170 102 Q HA 0.154 4.497 4.340 0.005 0.000 0.203 102 Q C 1.318 177.199 176.000 -0.199 0.000 0.976 102 Q CA 1.398 57.124 55.803 -0.128 0.000 0.858 102 Q CB 0.016 28.706 28.738 -0.080 0.000 0.907 102 Q HN 1.070 nan 8.270 nan 0.000 0.433 103 S N -0.979 114.489 115.700 -0.386 0.000 2.533 103 S HA 0.618 5.091 4.470 0.005 0.000 0.271 103 S C -1.123 173.126 174.600 -0.585 0.000 1.143 103 S CA -0.998 56.979 58.200 -0.372 0.000 0.891 103 S CB 0.953 64.026 63.200 -0.212 0.000 1.105 103 S HN 0.086 nan 8.310 nan 0.000 0.468 104 F N 1.028 120.870 119.950 -0.181 0.000 2.538 104 F HA 0.760 5.290 4.527 0.005 0.000 0.325 104 F C 0.777 176.427 175.800 -0.249 0.000 1.066 104 F CA -0.612 57.279 58.000 -0.181 0.000 0.946 104 F CB 2.330 41.181 39.000 -0.247 0.000 1.199 104 F HN 0.731 nan 8.300 nan 0.000 0.473 105 T N 2.440 117.018 114.554 0.041 0.000 2.855 105 T HA 0.751 5.104 4.350 0.005 0.000 0.281 105 T C -0.734 173.886 174.700 -0.132 0.000 1.007 105 T CA -0.461 61.574 62.100 -0.109 0.000 1.009 105 T CB 0.488 69.285 68.868 -0.117 0.000 0.983 105 T HN 0.440 nan 8.240 nan 0.000 0.455 106 I N 4.111 124.512 120.570 -0.281 0.000 2.412 106 I HA 0.439 4.612 4.170 0.005 0.000 0.296 106 I C -1.060 174.917 176.117 -0.233 0.000 0.987 106 I CA -1.046 60.192 61.300 -0.104 0.000 1.180 106 I CB 1.390 39.361 38.000 -0.048 0.000 1.340 106 I HN 0.637 nan 8.210 nan 0.000 0.455 107 Y N 3.034 123.539 120.300 0.342 0.000 2.409 107 Y HA 0.309 4.862 4.550 0.005 0.000 0.343 107 Y C 0.203 176.338 175.900 0.391 0.000 0.973 107 Y CA -1.008 57.288 58.100 0.326 0.000 1.064 107 Y CB 1.348 40.001 38.460 0.322 0.000 1.207 107 Y HN 0.495 nan 8.280 nan 0.000 0.452 108 E N 1.837 122.325 120.200 0.481 0.000 2.417 108 E HA 0.078 4.431 4.350 0.005 0.000 0.261 108 E C -0.179 176.588 176.600 0.279 0.000 1.000 108 E CA -0.076 56.594 56.400 0.451 0.000 0.919 108 E CB 0.615 30.500 29.700 0.308 0.000 0.955 108 E HN 0.578 nan 8.360 nan 0.000 0.455 109 S N 4.488 120.247 115.700 0.097 0.000 2.549 109 S HA 0.146 4.619 4.470 0.005 0.000 0.279 109 S C -1.669 172.728 174.600 -0.338 0.000 1.321 109 S CA -1.368 56.683 58.200 -0.249 0.000 1.054 109 S CB 0.864 63.692 63.200 -0.620 0.000 0.899 109 S HN 0.486 nan 8.310 nan 0.000 0.497 110 P HA 0.133 nan 4.420 nan 0.000 0.226 110 P C -0.429 176.633 177.300 -0.396 0.000 1.153 110 P CA 0.695 63.573 63.100 -0.370 0.000 0.777 110 P CB -0.102 31.402 31.700 -0.326 0.000 0.794 111 F N -4.030 115.680 119.950 -0.400 0.000 2.599 111 F HA 0.751 5.281 4.527 0.005 0.000 0.311 111 F C -3.199 172.428 175.800 -0.289 0.000 1.076 111 F CA -4.102 53.656 58.000 -0.403 0.000 0.937 111 F CB -0.289 38.276 39.000 -0.726 0.000 1.282 111 F HN -0.416 nan 8.300 nan 0.000 0.460 112 P HA 0.379 nan 4.420 nan 0.000 0.272 112 P C -0.845 176.455 177.300 -0.001 0.000 1.230 112 P CA -0.135 62.969 63.100 0.005 0.000 0.788 112 P CB 0.682 32.395 31.700 0.021 0.000 0.949 113 M N 0.255 119.804 119.600 -0.085 0.000 2.658 113 M HA 0.640 5.123 4.480 0.005 0.000 0.295 113 M C 0.084 176.317 176.300 -0.111 0.000 1.248 113 M CA -0.548 54.680 55.300 -0.120 0.000 0.843 113 M CB 2.709 35.171 32.600 -0.231 0.000 1.749 113 M HN 0.381 nan 8.290 nan 0.000 0.464 114 G N -0.104 108.629 108.800 -0.111 0.000 4.412 114 G HA2 0.521 4.484 3.960 0.005 0.000 0.262 114 G HA3 0.521 4.484 3.960 0.005 0.000 0.262 114 G C 0.373 175.200 174.900 -0.121 0.000 1.142 114 G CA 0.013 45.056 45.100 -0.094 0.000 0.783 114 G HN 0.885 nan 8.290 nan 0.000 0.533 115 A N 0.978 123.685 122.820 -0.188 0.000 2.070 115 A HA -0.043 4.280 4.320 0.005 0.000 0.220 115 A C 1.685 179.187 177.584 -0.137 0.000 1.159 115 A CA 1.442 53.377 52.037 -0.170 0.000 0.656 115 A CB 0.010 18.883 19.000 -0.211 0.000 0.800 115 A HN 0.435 nan 8.150 nan 0.000 0.453 116 N N 0.261 118.846 118.700 -0.191 0.000 2.328 116 N HA 0.133 4.876 4.740 0.005 0.000 0.247 116 N C -1.078 174.480 175.510 0.081 0.000 1.165 116 N CA -0.205 52.796 53.050 -0.081 0.000 0.873 116 N CB 0.101 38.466 38.487 -0.204 0.000 1.125 116 N HN 0.252 nan 8.380 nan 0.000 0.513 117 D N -0.226 120.208 120.400 0.057 0.000 2.440 117 D HA 0.225 4.867 4.640 0.005 0.000 0.258 117 D C 0.637 176.954 176.300 0.030 0.000 1.092 117 D CA -0.389 53.670 54.000 0.098 0.000 1.016 117 D CB 0.836 41.674 40.800 0.064 0.000 1.141 117 D HN -0.008 nan 8.370 nan 0.000 0.552 118 M N 0.197 119.784 119.600 -0.021 0.000 2.251 118 M HA 0.161 4.644 4.480 0.005 0.000 0.343 118 M C 1.306 177.512 176.300 -0.157 0.000 1.245 118 M CA 0.628 55.838 55.300 -0.151 0.000 1.061 118 M CB -0.451 31.995 32.600 -0.256 0.000 1.723 118 M HN 0.764 nan 8.290 nan 0.000 0.449 119 G N 3.045 111.732 108.800 -0.189 0.000 2.143 119 G HA2 -0.307 3.656 3.960 0.005 0.000 0.249 119 G HA3 -0.307 3.656 3.960 0.005 0.000 0.249 119 G C 0.983 175.834 174.900 -0.081 0.000 0.981 119 G CA 0.578 45.587 45.100 -0.153 0.000 0.665 119 G HN 0.829 nan 8.290 nan 0.000 0.528 120 R N 1.001 121.470 120.500 -0.051 0.000 2.237 120 R HA -0.071 4.272 4.340 0.005 0.000 0.219 120 R C 2.067 178.348 176.300 -0.032 0.000 1.080 120 R CA 1.373 57.452 56.100 -0.035 0.000 0.995 120 R CB -0.716 29.572 30.300 -0.020 0.000 0.875 120 R HN 0.584 nan 8.270 nan 0.000 0.462 121 N N 1.117 119.822 118.700 0.008 0.000 2.289 121 N HA -0.124 4.619 4.740 0.005 0.000 0.184 121 N C -0.279 175.239 175.510 0.014 0.000 1.016 121 N CA 0.651 53.726 53.050 0.042 0.000 0.872 121 N CB -0.505 38.026 38.487 0.073 0.000 0.973 121 N HN 0.183 nan 8.380 nan 0.000 0.433 122 N N 0.661 119.356 118.700 -0.008 0.000 2.514 122 N HA 0.311 5.054 4.740 0.005 0.000 0.277 122 N C -0.115 175.402 175.510 0.012 0.000 1.126 122 N CA 0.039 53.089 53.050 0.001 0.000 0.978 122 N CB 1.500 39.977 38.487 -0.017 0.000 1.106 122 N HN 0.273 nan 8.380 nan 0.000 0.461 123 G N 0.797 109.617 108.800 0.033 0.000 2.605 123 G HA2 0.442 4.405 3.960 0.005 0.000 0.304 123 G HA3 0.442 4.405 3.960 0.005 0.000 0.304 123 G C -0.924 174.020 174.900 0.073 0.000 1.333 123 G CA -0.294 44.835 45.100 0.048 0.000 0.973 123 G HN 0.379 nan 8.290 nan 0.000 0.507 124 E N 0.855 121.103 120.200 0.080 0.000 4.459 124 E HA -0.124 4.229 4.350 0.005 0.000 0.192 124 E C 1.108 177.788 176.600 0.134 0.000 1.233 124 E CA 0.066 56.534 56.400 0.113 0.000 1.053 124 E CB -1.191 28.586 29.700 0.129 0.000 1.053 124 E HN 0.843 nan 8.360 nan 0.000 0.399 125 R N -0.074 120.503 120.500 0.128 0.000 2.148 125 R HA 0.029 4.372 4.340 0.005 0.000 0.223 125 R C 1.035 177.465 176.300 0.217 0.000 1.088 125 R CA 0.446 56.636 56.100 0.150 0.000 0.985 125 R CB 0.126 30.491 30.300 0.109 0.000 0.880 125 R HN 0.188 nan 8.270 nan 0.000 0.451 126 L N 0.475 121.843 121.223 0.241 0.000 2.307 126 L HA 0.503 4.846 4.340 0.005 0.000 0.282 126 L C -0.861 176.197 176.870 0.313 0.000 1.051 126 L CA -0.297 54.736 54.840 0.323 0.000 0.804 126 L CB 1.562 43.830 42.059 0.349 0.000 1.197 126 L HN 0.037 nan 8.230 nan 0.000 0.431 127 A N 4.155 127.199 122.820 0.373 0.000 2.547 127 A HA 0.709 5.032 4.320 0.005 0.000 0.297 127 A C -1.620 176.161 177.584 0.327 0.000 1.056 127 A CA -0.593 51.668 52.037 0.373 0.000 0.688 127 A CB 1.438 20.729 19.000 0.485 0.000 1.282 127 A HN 0.388 nan 8.150 nan 0.000 0.400 128 V N 2.404 122.390 119.914 0.120 0.000 2.439 128 V HA 0.291 4.414 4.120 0.005 0.000 0.282 128 V C 0.473 176.310 176.094 -0.427 0.000 1.039 128 V CA -0.944 61.299 62.300 -0.095 0.000 0.913 128 V CB 1.529 33.302 31.823 -0.083 0.000 0.983 128 V HN 0.869 nan 8.190 nan 0.000 0.460 129 N N 7.411 125.718 118.700 -0.655 0.000 2.429 129 N HA 0.091 4.834 4.740 0.005 0.000 0.271 129 N C -1.292 173.897 175.510 -0.535 0.000 1.272 129 N CA -1.639 50.743 53.050 -1.114 0.000 0.921 129 N CB 1.299 39.481 38.487 -0.508 0.000 1.128 129 N HN 0.371 nan 8.380 nan 0.000 0.481 130 P HA -0.044 nan 4.420 nan 0.000 0.234 130 P C 0.268 177.256 177.300 -0.520 0.000 1.167 130 P CA 0.953 63.820 63.100 -0.388 0.000 0.763 130 P CB -0.021 31.466 31.700 -0.354 0.000 0.835 131 F N -1.232 118.631 119.950 -0.146 0.000 2.706 131 F HA 0.294 4.824 4.527 0.005 0.000 0.308 131 F C 0.886 176.653 175.800 -0.055 0.000 1.095 131 F CA -0.119 57.841 58.000 -0.067 0.000 1.244 131 F CB 0.325 39.305 39.000 -0.033 0.000 1.063 131 F HN -0.139 nan 8.300 nan 0.000 0.582 132 N N -0.260 118.461 118.700 0.036 0.000 2.701 132 N HA 0.023 4.766 4.740 0.005 0.000 0.258 132 N C 0.510 175.999 175.510 -0.035 0.000 1.262 132 N CA 0.201 53.262 53.050 0.019 0.000 0.780 132 N CB 0.983 39.503 38.487 0.056 0.000 1.380 132 N HN -0.035 nan 8.380 nan 0.000 0.548 133 S N 1.436 117.118 115.700 -0.029 0.000 2.584 133 S HA -0.043 4.430 4.470 0.005 0.000 0.240 133 S C 0.950 175.547 174.600 -0.004 0.000 0.975 133 S CA 0.522 58.714 58.200 -0.015 0.000 0.949 133 S CB -0.086 63.126 63.200 0.020 0.000 0.761 133 S HN 0.478 nan 8.310 nan 0.000 0.536 134 N N 1.192 119.879 118.700 -0.021 0.000 2.422 134 N HA 0.079 4.822 4.740 0.005 0.000 0.181 134 N C 0.160 175.605 175.510 -0.108 0.000 1.080 134 N CA 0.299 53.322 53.050 -0.045 0.000 0.893 134 N CB 0.173 38.636 38.487 -0.040 0.000 0.973 134 N HN 0.649 nan 8.380 nan 0.000 0.456 135 E N 1.235 121.386 120.200 -0.083 0.000 2.134 135 E HA 0.363 4.716 4.350 0.005 0.000 0.278 135 E C -1.243 175.328 176.600 -0.050 0.000 0.959 135 E CA -0.349 56.013 56.400 -0.063 0.000 0.783 135 E CB 1.276 31.034 29.700 0.096 0.000 1.095 135 E HN -0.237 nan 8.360 nan 0.000 0.399 136 V N 4.805 124.621 119.914 -0.163 0.000 2.588 136 V HA 0.436 4.559 4.120 0.005 0.000 0.304 136 V C -1.003 175.169 176.094 0.131 0.000 1.042 136 V CA -0.835 61.418 62.300 -0.079 0.000 0.877 136 V CB 1.142 32.716 31.823 -0.415 0.000 0.996 136 V HN 0.667 nan 8.190 nan 0.000 0.425 137 W N 4.132 125.609 121.300 0.296 0.000 2.706 137 W HA 0.867 5.530 4.660 0.006 0.000 0.346 137 W C -0.224 176.576 176.519 0.469 0.000 1.071 137 W CA -0.722 56.891 57.345 0.447 0.000 1.206 137 W CB 1.978 31.667 29.460 0.382 0.000 1.413 137 W HN 0.478 nan 8.180 nan 0.000 0.542 138 M N 1.951 121.932 119.600 0.635 0.000 2.324 138 M HA 0.618 5.101 4.480 0.005 0.000 0.288 138 M C -0.544 175.870 176.300 0.190 0.000 1.097 138 M CA -0.333 55.182 55.300 0.357 0.000 0.928 138 M CB 1.789 34.502 32.600 0.188 0.000 1.648 138 M HN 0.446 nan 8.290 nan 0.000 0.460 139 G N 2.755 111.641 108.800 0.145 0.000 2.327 139 G HA2 0.526 4.489 3.960 0.005 0.000 0.302 139 G HA3 0.526 4.489 3.960 0.005 0.000 0.302 139 G C -0.203 174.705 174.900 0.015 0.000 1.113 139 G CA -0.080 45.081 45.100 0.102 0.000 0.921 139 G HN 0.876 nan 8.290 nan 0.000 0.425 140 T N -0.083 114.423 114.554 -0.080 0.000 2.927 140 T HA 0.365 4.718 4.350 0.005 0.000 0.281 140 T C 1.311 175.978 174.700 -0.055 0.000 0.998 140 T CA -0.795 61.171 62.100 -0.224 0.000 1.019 140 T CB 1.997 70.481 68.868 -0.639 0.000 1.061 140 T HN 0.418 nan 8.240 nan 0.000 0.518 141 R N -0.082 120.379 120.500 -0.066 0.000 2.161 141 R HA 0.097 4.440 4.340 0.005 0.000 0.213 141 R C 1.759 178.056 176.300 -0.005 0.000 1.055 141 R CA 1.307 57.393 56.100 -0.023 0.000 0.996 141 R CB -0.096 30.188 30.300 -0.027 0.000 0.901 141 R HN 0.910 nan 8.270 nan 0.000 0.456 142 T N -4.047 110.504 114.554 -0.005 0.000 3.009 142 T HA 0.226 4.579 4.350 0.005 0.000 0.267 142 T C 0.799 175.535 174.700 0.060 0.000 0.942 142 T CA -0.343 61.771 62.100 0.024 0.000 0.883 142 T CB 0.616 69.501 68.868 0.028 0.000 1.192 142 T HN 0.013 nan 8.240 nan 0.000 0.524 143 E N 0.746 120.995 120.200 0.082 0.000 3.029 143 E HA 0.486 4.839 4.350 0.005 0.000 0.196 143 E C 0.886 177.673 176.600 0.312 0.000 0.973 143 E CA -0.100 56.436 56.400 0.226 0.000 1.242 143 E CB 0.929 30.851 29.700 0.369 0.000 1.056 143 E HN 0.580 nan 8.360 nan 0.000 0.469 144 G N 1.218 110.125 108.800 0.179 0.000 2.509 144 G HA2 -0.299 3.664 3.960 0.005 0.000 0.259 144 G HA3 -0.299 3.664 3.960 0.005 0.000 0.259 144 G C -0.229 174.736 174.900 0.108 0.000 1.169 144 G CA -0.271 44.917 45.100 0.146 0.000 0.953 144 G HN 0.151 nan 8.290 nan 0.000 0.563 145 I N -0.041 120.485 120.570 -0.073 0.000 2.493 145 I HA 0.664 4.837 4.170 0.005 0.000 0.298 145 I C -0.661 175.461 176.117 0.008 0.000 0.998 145 I CA -0.547 60.734 61.300 -0.031 0.000 1.137 145 I CB 1.730 39.594 38.000 -0.227 0.000 1.310 145 I HN 0.505 nan 8.210 nan 0.000 0.445 146 W N 4.790 126.042 121.300 -0.080 0.000 2.936 146 W HA 0.597 5.260 4.660 0.005 0.000 0.338 146 W C -0.497 176.056 176.519 0.058 0.000 1.121 146 W CA -0.800 56.566 57.345 0.033 0.000 1.209 146 W CB 1.343 30.911 29.460 0.180 0.000 1.420 146 W HN 0.183 nan 8.180 nan 0.000 0.516 147 K N 1.417 121.841 120.400 0.041 0.000 2.378 147 K HA 0.675 4.998 4.320 0.005 0.000 0.252 147 K C -1.027 175.356 176.600 -0.361 0.000 0.931 147 K CA -0.437 55.530 56.287 -0.533 0.000 0.794 147 K CB 2.103 33.858 32.500 -1.242 0.000 1.181 147 K HN 0.355 nan 8.250 nan 0.000 0.425 148 S N 1.704 116.942 115.700 -0.769 0.000 2.473 148 S HA 0.314 4.787 4.470 0.005 0.000 0.307 148 S C -0.089 174.165 174.600 -0.575 0.000 1.094 148 S CA -0.590 57.049 58.200 -0.935 0.000 1.070 148 S CB 1.497 63.576 63.200 -1.868 0.000 1.019 148 S HN 0.629 nan 8.310 nan 0.000 0.480 149 S N 2.346 117.809 115.700 -0.394 0.000 2.540 149 S HA 0.116 4.589 4.470 0.005 0.000 0.218 149 S C -0.127 174.343 174.600 -0.215 0.000 0.977 149 S CA -0.254 57.802 58.200 -0.239 0.000 0.918 149 S CB -0.041 63.065 63.200 -0.156 0.000 0.806 149 S HN 0.863 nan 8.310 nan 0.000 0.496 150 D N 0.631 120.853 120.400 -0.296 0.000 2.891 150 D HA 0.174 4.817 4.640 0.005 0.000 0.332 150 D C -0.089 176.063 176.300 -0.247 0.000 1.369 150 D CA -0.627 53.238 54.000 -0.226 0.000 0.827 150 D CB -0.535 40.146 40.800 -0.198 0.000 1.141 150 D HN -0.014 nan 8.370 nan 0.000 0.464 151 R N 0.395 120.749 120.500 -0.243 0.000 3.336 151 R HA -0.123 4.220 4.340 0.005 0.000 0.260 151 R C 0.684 176.893 176.300 -0.151 0.000 1.032 151 R CA 0.550 56.587 56.100 -0.106 0.000 0.693 151 R CB -2.308 28.060 30.300 0.114 0.000 1.134 151 R HN 0.634 nan 8.270 nan 0.000 0.433 152 A N -1.854 120.641 122.820 -0.540 0.000 3.526 152 A HA -0.323 4.000 4.320 0.005 0.000 0.254 152 A C 1.531 178.742 177.584 -0.622 0.000 1.109 152 A CA 1.697 53.351 52.037 -0.639 0.000 1.395 152 A CB -1.193 17.763 19.000 -0.073 0.000 1.057 152 A HN 0.493 nan 8.150 nan 0.000 0.901 153 K N -0.220 119.709 120.400 -0.785 0.000 1.987 153 K HA -0.083 4.240 4.320 0.005 0.000 0.216 153 K C 1.175 177.513 176.600 -0.437 0.000 1.051 153 K CA 1.954 57.621 56.287 -1.033 0.000 0.942 153 K CB -0.293 31.842 32.500 -0.608 0.000 0.722 153 K HN 1.076 nan 8.250 nan 0.000 0.444 154 T N -2.711 111.618 114.554 -0.374 0.000 2.901 154 T HA 0.522 4.875 4.350 0.005 0.000 0.293 154 T C -1.437 173.094 174.700 -0.282 0.000 1.084 154 T CA -0.998 61.031 62.100 -0.118 0.000 1.008 154 T CB 1.419 70.267 68.868 -0.033 0.000 1.170 154 T HN 0.210 nan 8.240 nan 0.000 0.509 155 W N 0.607 121.927 121.300 0.033 0.000 3.127 155 W HA 0.606 5.269 4.660 0.005 0.000 0.330 155 W C -0.445 176.257 176.519 0.304 0.000 1.187 155 W CA -0.583 56.861 57.345 0.164 0.000 1.198 155 W CB 2.255 31.888 29.460 0.288 0.000 1.408 155 W HN 1.035 nan 8.180 nan 0.000 0.529 156 T N -0.456 114.347 114.554 0.415 0.000 2.876 156 T HA 0.405 4.758 4.350 0.005 0.000 0.289 156 T C -0.663 173.921 174.700 -0.193 0.000 1.014 156 T CA -0.945 61.229 62.100 0.123 0.000 0.986 156 T CB 1.775 70.624 68.868 -0.033 0.000 1.021 156 T HN 0.444 nan 8.240 nan 0.000 0.458 157 N N 1.937 120.133 118.700 -0.839 0.000 2.488 157 N HA 0.174 4.917 4.740 0.005 0.000 0.274 157 N C -0.565 174.584 175.510 -0.601 0.000 1.111 157 N CA -0.344 51.915 53.050 -1.318 0.000 0.974 157 N CB 1.086 38.515 38.487 -1.763 0.000 1.089 157 N HN 0.492 nan 8.380 nan 0.000 0.465 158 V N 3.978 123.616 119.914 -0.461 0.000 2.370 158 V HA 0.029 4.152 4.120 0.005 0.000 0.257 158 V C 1.546 177.524 176.094 -0.192 0.000 1.064 158 V CA -0.118 62.062 62.300 -0.200 0.000 0.975 158 V CB 0.277 32.092 31.823 -0.013 0.000 1.067 158 V HN 0.832 nan 8.190 nan 0.000 0.485 159 T N -0.367 114.100 114.554 -0.146 0.000 3.100 159 T HA -0.081 4.272 4.350 0.005 0.000 0.253 159 T C 1.703 176.366 174.700 -0.060 0.000 1.118 159 T CA 0.669 62.691 62.100 -0.129 0.000 1.058 159 T CB -0.057 68.742 68.868 -0.115 0.000 0.953 159 T HN 0.687 nan 8.240 nan 0.000 0.515 160 S N 0.372 116.089 115.700 0.028 0.000 2.603 160 S HA 0.201 4.674 4.470 0.005 0.000 0.229 160 S C 0.384 175.060 174.600 0.126 0.000 0.972 160 S CA -0.622 57.655 58.200 0.129 0.000 0.935 160 S CB -0.804 62.545 63.200 0.248 0.000 0.769 160 S HN 0.581 nan 8.310 nan 0.000 0.536 161 I N 2.239 122.720 120.570 -0.147 0.000 2.392 161 I HA 0.475 4.648 4.170 0.005 0.000 0.295 161 I C -2.599 173.322 176.117 -0.328 0.000 0.985 161 I CA -2.580 58.445 61.300 -0.458 0.000 1.221 161 I CB 1.303 38.753 38.000 -0.917 0.000 1.366 161 I HN -0.070 nan 8.210 nan 0.000 0.467 162 P HA 0.163 nan 4.420 nan 0.000 0.265 162 P C -0.659 176.425 177.300 -0.361 0.000 1.193 162 P CA 0.378 63.292 63.100 -0.309 0.000 0.765 162 P CB 0.332 31.885 31.700 -0.245 0.000 0.823 163 D N 0.875 121.058 120.400 -0.362 0.000 4.199 163 D HA -0.147 4.496 4.640 0.005 0.000 0.291 163 D C -0.533 175.647 176.300 -0.201 0.000 2.213 163 D CA 1.209 54.919 54.000 -0.484 0.000 1.174 163 D CB -0.957 39.032 40.800 -1.351 0.000 1.012 163 D HN 0.437 nan 8.370 nan 0.000 1.213 164 A N -0.244 122.457 122.820 -0.199 0.000 3.224 164 A HA 0.424 4.747 4.320 0.005 0.000 0.198 164 A C 0.670 178.227 177.584 -0.045 0.000 1.080 164 A CA 0.114 52.165 52.037 0.022 0.000 1.184 164 A CB -0.549 18.470 19.000 0.031 0.000 1.277 164 A HN 0.338 nan 8.150 nan 0.000 0.680 165 F N 0.935 120.745 119.950 -0.232 0.000 2.771 165 F HA -0.302 4.229 4.527 0.005 0.000 0.303 165 F C 1.808 177.534 175.800 -0.123 0.000 1.341 165 F CA 2.658 60.538 58.000 -0.200 0.000 1.371 165 F CB -0.667 38.155 39.000 -0.297 0.000 0.815 165 F HN 0.276 nan 8.300 nan 0.000 0.621 166 T N 2.262 116.880 114.554 0.107 0.000 2.738 166 T HA 0.033 4.386 4.350 0.005 0.000 0.293 166 T C 0.013 174.708 174.700 -0.010 0.000 0.913 166 T CA -0.364 61.750 62.100 0.023 0.000 1.103 166 T CB -0.376 68.486 68.868 -0.009 0.000 0.880 166 T HN 0.209 nan 8.240 nan 0.000 0.526 167 N N 2.150 120.843 118.700 -0.012 0.000 2.492 167 N HA 0.183 4.926 4.740 0.005 0.000 0.262 167 N C 1.340 176.840 175.510 -0.016 0.000 1.202 167 N CA 1.187 54.231 53.050 -0.011 0.000 0.926 167 N CB 0.670 39.153 38.487 -0.007 0.000 1.078 167 N HN 0.942 nan 8.380 nan 0.000 0.454 168 G N 2.863 111.655 108.800 -0.013 0.000 2.299 168 G HA2 -0.236 3.727 3.960 0.005 0.000 0.237 168 G HA3 -0.236 3.727 3.960 0.005 0.000 0.237 168 G C 0.833 175.710 174.900 -0.038 0.000 1.027 168 G CA 0.192 45.281 45.100 -0.018 0.000 0.619 168 G HN 0.526 nan 8.290 nan 0.000 0.513 169 I N 0.949 121.487 120.570 -0.052 0.000 2.726 169 I HA 0.409 4.582 4.170 0.005 0.000 0.243 169 I C 2.269 178.357 176.117 -0.048 0.000 1.082 169 I CA 2.269 63.526 61.300 -0.071 0.000 1.447 169 I CB -1.707 36.228 38.000 -0.108 0.000 1.250 169 I HN 1.441 nan 8.210 nan 0.000 0.453 170 G N 0.406 109.179 108.800 -0.045 0.000 2.553 170 G HA2 -0.291 3.672 3.960 0.005 0.000 0.242 170 G HA3 -0.291 3.672 3.960 0.005 0.000 0.242 170 G C -0.650 174.208 174.900 -0.070 0.000 1.277 170 G CA -0.279 44.807 45.100 -0.022 0.000 0.910 170 G HN 0.232 nan 8.290 nan 0.000 0.576 171 Y N 1.719 122.028 120.300 0.015 0.000 2.404 171 Y HA 0.438 4.991 4.550 0.005 0.000 0.344 171 Y C 1.977 177.878 175.900 0.001 0.000 0.995 171 Y CA 0.675 58.781 58.100 0.010 0.000 1.201 171 Y CB 1.515 39.977 38.460 0.004 0.000 1.151 171 Y HN 0.731 nan 8.280 nan 0.000 0.517 172 T N -2.258 112.361 114.554 0.108 0.000 3.044 172 T HA 0.146 4.499 4.350 0.005 0.000 0.250 172 T C 0.298 175.052 174.700 0.090 0.000 1.081 172 T CA 0.324 62.462 62.100 0.064 0.000 1.040 172 T CB -0.040 68.830 68.868 0.004 0.000 0.962 172 T HN 0.450 nan 8.240 nan 0.000 0.506 173 S N -0.121 115.658 115.700 0.132 0.000 2.537 173 S HA 0.677 5.150 4.470 0.005 0.000 0.270 173 S C -1.501 173.187 174.600 0.146 0.000 1.142 173 S CA -0.797 57.480 58.200 0.129 0.000 0.870 173 S CB 2.191 65.450 63.200 0.098 0.000 1.112 173 S HN 0.127 nan 8.310 nan 0.000 0.466 174 V N 3.021 123.014 119.914 0.132 0.000 2.482 174 V HA 0.565 4.688 4.120 0.005 0.000 0.295 174 V C -1.008 175.131 176.094 0.076 0.000 1.026 174 V CA -0.398 61.952 62.300 0.083 0.000 0.856 174 V CB 1.138 33.035 31.823 0.123 0.000 1.001 174 V HN 0.939 nan 8.190 nan 0.000 0.424 175 I N 4.764 125.347 120.570 0.021 0.000 2.499 175 I HA 0.516 4.689 4.170 0.005 0.000 0.288 175 I C -0.893 175.222 176.117 -0.004 0.000 1.048 175 I CA -0.332 61.022 61.300 0.089 0.000 1.062 175 I CB 2.145 40.218 38.000 0.122 0.000 1.238 175 I HN 0.361 nan 8.210 nan 0.000 0.426 176 F N 3.286 123.287 119.950 0.086 0.000 2.385 176 F HA 0.232 4.762 4.527 0.005 0.000 0.336 176 F C 0.846 176.723 175.800 0.128 0.000 1.100 176 F CA -0.322 57.721 58.000 0.071 0.000 1.116 176 F CB 0.718 39.752 39.000 0.055 0.000 1.166 176 F HN 0.382 nan 8.300 nan 0.000 0.511 177 D N 5.206 125.796 120.400 0.317 0.000 2.344 177 D HA 0.091 4.734 4.640 0.005 0.000 0.253 177 D C -1.540 174.960 176.300 0.334 0.000 1.255 177 D CA -1.898 52.266 54.000 0.273 0.000 0.894 177 D CB 1.115 42.048 40.800 0.222 0.000 1.067 177 D HN 0.181 nan 8.370 nan 0.000 0.492 178 P HA -0.076 nan 4.420 nan 0.000 0.228 178 P C 0.507 177.964 177.300 0.262 0.000 1.151 178 P CA 0.686 63.901 63.100 0.191 0.000 0.770 178 P CB 0.599 32.347 31.700 0.081 0.000 0.786 179 E N -0.695 119.665 120.200 0.268 0.000 2.481 179 E HA 0.101 4.454 4.350 0.005 0.000 0.198 179 E C 0.713 177.458 176.600 0.242 0.000 1.027 179 E CA 0.052 56.594 56.400 0.238 0.000 0.900 179 E CB 0.677 30.451 29.700 0.124 0.000 0.993 179 E HN 0.251 nan 8.360 nan 0.000 0.482 180 R N 1.593 122.231 120.500 0.231 0.000 2.631 180 R HA 0.139 4.482 4.340 0.005 0.000 0.289 180 R C -0.831 175.293 176.300 -0.293 0.000 1.303 180 R CA -0.500 55.576 56.100 -0.040 0.000 0.989 180 R CB 0.526 30.831 30.300 0.008 0.000 1.208 180 R HN -0.175 nan 8.270 nan 0.000 0.461 181 N N 1.992 120.115 118.700 -0.962 0.000 2.412 181 N HA 0.073 4.816 4.740 0.005 0.000 0.254 181 N C 0.992 176.267 175.510 -0.391 0.000 1.232 181 N CA 2.354 54.734 53.050 -1.117 0.000 0.880 181 N CB 1.070 38.796 38.487 -1.267 0.000 1.076 181 N HN 0.842 nan 8.380 nan 0.000 0.458 182 G N 1.559 110.239 108.800 -0.200 0.000 2.217 182 G HA2 -0.234 3.729 3.960 0.005 0.000 0.246 182 G HA3 -0.234 3.729 3.960 0.005 0.000 0.246 182 G C 0.054 174.842 174.900 -0.187 0.000 0.990 182 G CA 0.495 45.511 45.100 -0.139 0.000 0.627 182 G HN 0.708 nan 8.290 nan 0.000 0.522 183 T N 1.748 116.215 114.554 -0.147 0.000 2.744 183 T HA 0.675 5.028 4.350 0.005 0.000 0.291 183 T C 0.173 174.679 174.700 -0.323 0.000 0.957 183 T CA 0.071 62.016 62.100 -0.258 0.000 1.002 183 T CB 1.141 69.967 68.868 -0.070 0.000 0.919 183 T HN 0.429 nan 8.240 nan 0.000 0.468 184 I N 2.350 122.551 120.570 -0.615 0.000 2.730 184 I HA 0.465 4.638 4.170 0.005 0.000 0.298 184 I C -1.323 174.467 176.117 -0.547 0.000 1.089 184 I CA -1.304 59.605 61.300 -0.652 0.000 1.041 184 I CB 2.232 39.632 38.000 -1.000 0.000 1.235 184 I HN 0.499 nan 8.210 nan 0.000 0.423 185 Y N 2.904 123.095 120.300 -0.182 0.000 2.328 185 Y HA 0.684 5.237 4.550 0.005 0.000 0.337 185 Y C 0.182 176.112 175.900 0.050 0.000 0.966 185 Y CA -0.726 57.380 58.100 0.010 0.000 1.136 185 Y CB 2.043 40.506 38.460 0.005 0.000 1.170 185 Y HN 0.590 nan 8.280 nan 0.000 0.470 186 A N 2.478 125.458 122.820 0.266 0.000 2.287 186 A HA 0.784 5.106 4.320 0.005 0.000 0.317 186 A C -0.758 177.019 177.584 0.323 0.000 1.220 186 A CA -0.610 51.492 52.037 0.107 0.000 0.835 186 A CB 0.574 19.355 19.000 -0.364 0.000 1.180 186 A HN 0.597 nan 8.150 nan 0.000 0.500 187 S N 1.225 117.137 115.700 0.354 0.000 2.552 187 S HA 0.690 5.163 4.470 0.005 0.000 0.314 187 S C 0.011 174.693 174.600 0.136 0.000 1.099 187 S CA -0.334 58.020 58.200 0.257 0.000 1.070 187 S CB 1.625 64.898 63.200 0.121 0.000 0.998 187 S HN 1.243 nan 8.310 nan 0.000 0.474 188 A N 2.080 124.765 122.820 -0.225 0.000 2.304 188 A HA 0.646 4.969 4.320 0.005 0.000 0.301 188 A C 0.319 177.706 177.584 -0.328 0.000 1.132 188 A CA -0.567 51.170 52.037 -0.500 0.000 0.819 188 A CB 0.225 18.619 19.000 -1.010 0.000 1.094 188 A HN 0.608 nan 8.150 nan 0.000 0.492 189 T N 2.079 116.501 114.554 -0.220 0.000 3.176 189 T HA 0.531 4.884 4.350 0.005 0.000 0.301 189 T C 0.014 174.623 174.700 -0.153 0.000 1.115 189 T CA 0.962 62.971 62.100 -0.152 0.000 1.027 189 T CB -0.800 68.002 68.868 -0.109 0.000 1.063 189 T HN 1.250 nan 8.240 nan 0.000 0.669 190 A N 4.809 127.512 122.820 -0.195 0.000 2.597 190 A HA 0.704 5.027 4.320 0.005 0.000 0.292 190 A C -3.112 174.367 177.584 -0.175 0.000 1.057 190 A CA -1.765 50.181 52.037 -0.152 0.000 0.674 190 A CB 0.863 19.770 19.000 -0.154 0.000 1.278 190 A HN 0.282 nan 8.150 nan 0.000 0.416 191 P HA 0.146 nan 4.420 nan 0.000 0.260 191 P C -0.468 176.732 177.300 -0.166 0.000 1.172 191 P CA 1.052 64.090 63.100 -0.103 0.000 0.760 191 P CB 0.073 31.752 31.700 -0.035 0.000 0.773 192 Q N 1.463 121.141 119.800 -0.203 0.000 2.434 192 Q HA -0.210 4.133 4.340 0.005 0.000 0.299 192 Q C 1.138 176.941 176.000 -0.328 0.000 1.286 192 Q CA 0.683 56.350 55.803 -0.227 0.000 0.872 192 Q CB -2.129 26.503 28.738 -0.176 0.000 1.193 192 Q HN 0.772 nan 8.270 nan 0.000 0.466 193 G N -0.319 108.224 108.800 -0.428 0.000 2.848 193 G HA2 0.114 4.077 3.960 0.005 0.000 0.208 193 G HA3 0.114 4.077 3.960 0.005 0.000 0.208 193 G C 0.434 175.182 174.900 -0.253 0.000 1.152 193 G CA -0.245 44.430 45.100 -0.707 0.000 0.789 193 G HN 0.246 nan 8.290 nan 0.000 0.531 194 M N 0.915 120.442 119.600 -0.121 0.000 2.108 194 M HA 0.426 4.909 4.480 0.005 0.000 0.354 194 M C -1.131 175.166 176.300 -0.004 0.000 1.229 194 M CA -0.351 54.985 55.300 0.060 0.000 1.081 194 M CB 1.083 33.751 32.600 0.113 0.000 1.606 194 M HN 0.019 nan 8.290 nan 0.000 0.467 195 Y N 1.402 121.831 120.300 0.215 0.000 2.587 195 Y HA 0.773 5.326 4.550 0.005 0.000 0.337 195 Y C -0.341 175.732 175.900 0.290 0.000 1.065 195 Y CA -0.994 57.261 58.100 0.258 0.000 1.126 195 Y CB 1.910 40.515 38.460 0.241 0.000 1.279 195 Y HN 0.401 nan 8.280 nan 0.000 0.489 196 V N 0.887 121.022 119.914 0.370 0.000 2.888 196 V HA 0.691 4.814 4.120 0.005 0.000 0.309 196 V C -1.084 174.809 176.094 -0.336 0.000 1.114 196 V CA -0.268 61.935 62.300 -0.163 0.000 0.940 196 V CB 2.269 33.767 31.823 -0.541 0.000 1.021 196 V HN 0.857 nan 8.190 nan 0.000 0.426 197 T N 3.102 117.119 114.554 -0.896 0.000 2.907 197 T HA 0.621 4.974 4.350 0.005 0.000 0.292 197 T C -0.242 173.853 174.700 -1.008 0.000 1.043 197 T CA -0.142 61.317 62.100 -1.068 0.000 1.003 197 T CB 1.338 69.138 68.868 -1.780 0.000 1.084 197 T HN 0.897 nan 8.240 nan 0.000 0.483 198 H N 0.895 119.709 119.070 -0.426 0.000 3.058 198 H HA 0.251 4.810 4.556 0.005 0.000 0.266 198 H C -0.075 175.095 175.328 -0.262 0.000 1.135 198 H CA -0.210 55.652 56.048 -0.309 0.000 1.174 198 H CB 0.634 30.262 29.762 -0.222 0.000 1.581 198 H HN 0.579 nan 8.280 nan 0.000 0.553 199 D N -0.532 119.735 120.400 -0.221 0.000 2.772 199 D HA 0.192 4.835 4.640 0.005 0.000 0.272 199 D C 1.396 177.592 176.300 -0.174 0.000 1.314 199 D CA -0.010 53.892 54.000 -0.162 0.000 0.835 199 D CB -0.011 40.713 40.800 -0.127 0.000 1.080 199 D HN 0.250 nan 8.370 nan 0.000 0.482 200 G N -0.262 108.405 108.800 -0.221 0.000 2.179 200 G HA2 -0.075 3.888 3.960 0.005 0.000 0.257 200 G HA3 -0.075 3.888 3.960 0.005 0.000 0.257 200 G C 1.149 175.985 174.900 -0.106 0.000 1.010 200 G CA 0.342 45.364 45.100 -0.130 0.000 0.736 200 G HN 1.491 nan 8.290 nan 0.000 0.513 201 G N -2.962 105.600 108.800 -0.396 0.000 2.176 201 G HA2 -0.136 3.827 3.960 0.005 0.000 0.232 201 G HA3 -0.136 3.827 3.960 0.005 0.000 0.232 201 G C 1.186 176.047 174.900 -0.065 0.000 0.986 201 G CA 0.893 45.783 45.100 -0.350 0.000 0.643 201 G HN 1.387 nan 8.290 nan 0.000 0.522 202 V N 0.782 120.635 119.914 -0.101 0.000 2.515 202 V HA 0.165 4.288 4.120 0.005 0.000 0.250 202 V C 1.622 177.691 176.094 -0.040 0.000 1.058 202 V CA 2.383 64.669 62.300 -0.023 0.000 1.064 202 V CB -0.034 31.773 31.823 -0.028 0.000 0.675 202 V HN 1.355 nan 8.190 nan 0.000 0.461 203 S N -2.430 113.153 115.700 -0.195 0.000 2.569 203 S HA 0.658 5.131 4.470 0.005 0.000 0.280 203 S C -1.672 172.727 174.600 -0.336 0.000 1.111 203 S CA -0.845 57.291 58.200 -0.107 0.000 0.887 203 S CB 1.831 65.001 63.200 -0.050 0.000 1.095 203 S HN 0.233 nan 8.310 nan 0.000 0.476 204 W N 0.417 121.729 121.300 0.020 0.000 2.936 204 W HA 0.624 5.287 4.660 0.005 0.000 0.338 204 W C -0.359 176.249 176.519 0.149 0.000 1.121 204 W CA -0.423 56.956 57.345 0.057 0.000 1.209 204 W CB 1.801 31.293 29.460 0.053 0.000 1.420 204 W HN 0.724 nan 8.180 nan 0.000 0.516 205 E N 2.122 122.560 120.200 0.395 0.000 2.288 205 E HA 0.412 4.765 4.350 0.005 0.000 0.268 205 E C -2.510 174.219 176.600 0.215 0.000 0.885 205 E CA -2.230 54.345 56.400 0.293 0.000 0.767 205 E CB 2.161 31.949 29.700 0.147 0.000 1.220 205 E HN -0.108 nan 8.360 nan 0.000 0.427 206 P HA -0.023 nan 4.420 nan 0.000 0.269 206 P C -0.524 176.695 177.300 -0.135 0.000 1.209 206 P CA -0.214 62.604 63.100 -0.471 0.000 0.776 206 P CB 0.437 31.912 31.700 -0.375 0.000 0.876 207 V N 2.355 122.220 119.914 -0.081 0.000 2.585 207 V HA 0.196 4.319 4.120 0.005 0.000 0.296 207 V C 0.950 177.116 176.094 0.121 0.000 1.035 207 V CA -0.205 62.165 62.300 0.116 0.000 1.084 207 V CB -0.088 31.890 31.823 0.259 0.000 0.953 207 V HN 0.666 nan 8.190 nan 0.000 0.483 208 A N 4.153 127.073 122.820 0.167 0.000 2.477 208 A HA 0.543 4.866 4.320 0.005 0.000 0.246 208 A C 1.384 179.112 177.584 0.241 0.000 1.078 208 A CA 0.396 52.518 52.037 0.142 0.000 0.770 208 A CB -0.220 18.856 19.000 0.128 0.000 1.011 208 A HN 2.250 nan 8.150 nan 0.000 0.494 209 G N 1.437 110.228 108.800 -0.015 0.000 2.182 209 G HA2 -0.215 3.748 3.960 0.005 0.000 0.248 209 G HA3 -0.215 3.748 3.960 0.005 0.000 0.248 209 G C 0.088 174.422 174.900 -0.944 0.000 1.042 209 G CA 0.460 45.403 45.100 -0.261 0.000 0.775 209 G HN 0.976 nan 8.290 nan 0.000 0.501 210 Q N 0.115 119.464 119.800 -0.751 0.000 2.392 210 Q HA 0.341 4.684 4.340 0.005 0.000 0.262 210 Q C -1.998 173.392 176.000 -1.017 0.000 1.003 210 Q CA -1.413 53.747 55.803 -1.071 0.000 0.888 210 Q CB 0.501 28.933 28.738 -0.511 0.000 1.260 210 Q HN 0.190 nan 8.270 nan 0.000 0.435 211 P HA -0.094 nan 4.420 nan 0.000 0.260 211 P C -0.355 176.528 177.300 -0.695 0.000 1.172 211 P CA 0.598 63.070 63.100 -1.047 0.000 0.760 211 P CB 0.525 31.422 31.700 -1.338 0.000 0.773 212 S N 0.452 115.836 115.700 -0.527 0.000 2.559 212 S HA 0.306 4.779 4.470 0.005 0.000 0.226 212 S C 0.383 174.794 174.600 -0.315 0.000 1.000 212 S CA -0.132 57.851 58.200 -0.362 0.000 0.948 212 S CB -0.165 62.875 63.200 -0.265 0.000 0.870 212 S HN 0.528 nan 8.310 nan 0.000 0.497 213 S N -0.636 114.834 115.700 -0.384 0.000 2.588 213 S HA 0.661 5.134 4.470 0.005 0.000 0.269 213 S C -1.628 172.762 174.600 -0.350 0.000 1.157 213 S CA -1.162 56.870 58.200 -0.279 0.000 0.824 213 S CB -0.071 63.055 63.200 -0.124 0.000 1.126 213 S HN 0.378 nan 8.310 nan 0.000 0.464 214 W N 1.306 122.552 121.300 -0.089 0.000 2.238 214 W HA 0.507 5.170 4.660 0.005 0.000 0.321 214 W C 0.249 176.763 176.519 -0.008 0.000 1.293 214 W CA -0.715 56.603 57.345 -0.045 0.000 1.204 214 W CB 0.504 29.915 29.460 -0.081 0.000 1.167 214 W HN 0.531 nan 8.180 nan 0.000 0.553 215 L N 3.236 124.640 121.223 0.302 0.000 2.461 215 L HA -0.074 4.269 4.340 0.005 0.000 0.272 215 L C 1.877 178.854 176.870 0.178 0.000 1.197 215 L CA -0.026 54.944 54.840 0.216 0.000 0.836 215 L CB 0.270 42.465 42.059 0.226 0.000 1.105 215 L HN 0.642 nan 8.230 nan 0.000 0.477 216 N N 2.094 120.860 118.700 0.111 0.000 2.205 216 N HA -0.199 4.544 4.740 0.005 0.000 0.186 216 N C 1.828 177.380 175.510 0.069 0.000 1.015 216 N CA 1.128 54.222 53.050 0.073 0.000 0.862 216 N CB 0.126 38.639 38.487 0.044 0.000 0.986 216 N HN 0.567 nan 8.380 nan 0.000 0.429 217 R N 0.109 120.656 120.500 0.078 0.000 2.105 217 R HA -0.087 4.256 4.340 0.005 0.000 0.239 217 R C 1.670 178.033 176.300 0.106 0.000 1.135 217 R CA 1.742 57.881 56.100 0.065 0.000 0.967 217 R CB -0.173 30.157 30.300 0.050 0.000 0.861 217 R HN 0.264 nan 8.270 nan 0.000 0.442 218 T N -0.392 114.268 114.554 0.177 0.000 2.698 218 T HA -0.111 4.242 4.350 0.005 0.000 0.260 218 T C 1.831 176.704 174.700 0.287 0.000 1.044 218 T CA 1.932 64.200 62.100 0.280 0.000 1.149 218 T CB -0.432 68.677 68.868 0.400 0.000 0.864 218 T HN 0.522 nan 8.240 nan 0.000 0.419 219 T N 0.192 114.799 114.554 0.088 0.000 2.951 219 T HA 0.060 4.413 4.350 0.005 0.000 0.268 219 T C 2.242 176.988 174.700 0.077 0.000 1.073 219 T CA 1.136 63.195 62.100 -0.068 0.000 1.134 219 T CB -0.784 67.960 68.868 -0.207 0.000 0.884 219 T HN 0.393 nan 8.240 nan 0.000 0.479 220 G N 0.786 109.617 108.800 0.051 0.000 2.534 220 G HA2 0.242 4.205 3.960 0.005 0.000 0.217 220 G HA3 0.242 4.205 3.960 0.005 0.000 0.217 220 G C 1.732 176.594 174.900 -0.064 0.000 1.128 220 G CA 0.431 45.532 45.100 0.003 0.000 0.784 220 G HN 0.687 nan 8.290 nan 0.000 0.542 221 A N 0.128 122.872 122.820 -0.125 0.000 2.015 221 A HA 0.308 4.631 4.320 0.005 0.000 0.219 221 A C 0.547 177.625 177.584 -0.843 0.000 1.163 221 A CA 0.536 52.269 52.037 -0.507 0.000 0.646 221 A CB -0.204 18.408 19.000 -0.647 0.000 0.806 221 A HN 0.307 nan 8.150 nan 0.000 0.448 222 F N -1.895 118.134 119.950 0.132 0.000 2.794 222 F HA 0.343 4.873 4.527 0.005 0.000 0.353 222 F C -2.284 173.520 175.800 0.007 0.000 1.371 222 F CA -1.978 56.053 58.000 0.051 0.000 1.173 222 F CB 1.112 40.137 39.000 0.042 0.000 1.693 222 F HN -0.038 nan 8.300 nan 0.000 0.606 223 P HA -0.132 nan 4.420 nan 0.000 0.225 223 P C 1.112 178.410 177.300 -0.004 0.000 1.148 223 P CA 1.240 64.355 63.100 0.025 0.000 0.779 223 P CB 0.148 31.847 31.700 -0.002 0.000 0.780 224 D N -1.318 119.072 120.400 -0.016 0.000 2.371 224 D HA -0.064 4.579 4.640 0.005 0.000 0.221 224 D C 0.310 176.540 176.300 -0.116 0.000 0.986 224 D CA 0.834 54.795 54.000 -0.065 0.000 0.899 224 D CB -0.240 40.515 40.800 -0.075 0.000 0.902 224 D HN 0.099 nan 8.370 nan 0.000 0.530 225 K N 0.714 121.045 120.400 -0.114 0.000 2.323 225 K HA 0.365 4.688 4.320 0.005 0.000 0.259 225 K C -0.663 175.938 176.600 0.003 0.000 0.947 225 K CA -0.912 55.297 56.287 -0.131 0.000 0.819 225 K CB 2.518 34.716 32.500 -0.502 0.000 1.109 225 K HN -0.172 nan 8.250 nan 0.000 0.429 226 K N 3.380 123.774 120.400 -0.010 0.000 2.262 226 K HA 0.282 4.605 4.320 0.005 0.000 0.282 226 K C -2.440 174.124 176.600 -0.060 0.000 1.066 226 K CA -1.812 54.428 56.287 -0.079 0.000 0.901 226 K CB 0.514 32.987 32.500 -0.045 0.000 1.089 226 K HN 0.200 nan 8.250 nan 0.000 0.476 227 P HA -0.074 nan 4.420 nan 0.000 0.266 227 P C -0.391 176.886 177.300 -0.039 0.000 1.186 227 P CA 0.155 63.060 63.100 -0.324 0.000 0.767 227 P CB 0.839 31.982 31.700 -0.928 0.000 0.820 228 A N 1.473 124.344 122.820 0.085 0.000 2.208 228 A HA 0.142 4.465 4.320 0.005 0.000 0.209 228 A C 0.775 178.472 177.584 0.188 0.000 1.161 228 A CA 0.831 52.944 52.037 0.127 0.000 0.782 228 A CB -0.535 18.540 19.000 0.126 0.000 0.816 228 A HN 0.588 nan 8.150 nan 0.000 0.477 229 S N -1.995 113.856 115.700 0.251 0.000 2.568 229 S HA 0.575 5.048 4.470 0.005 0.000 0.293 229 S C 0.493 175.297 174.600 0.340 0.000 1.089 229 S CA -0.533 57.840 58.200 0.289 0.000 0.945 229 S CB 1.158 64.567 63.200 0.350 0.000 1.077 229 S HN 0.047 nan 8.310 nan 0.000 0.485 230 I N 1.282 121.978 120.570 0.210 0.000 2.394 230 I HA 0.228 4.401 4.170 0.005 0.000 0.251 230 I C 0.919 177.116 176.117 0.133 0.000 1.136 230 I CA 1.444 62.843 61.300 0.165 0.000 1.425 230 I CB -0.428 37.616 38.000 0.073 0.000 1.079 230 I HN 0.942 nan 8.210 nan 0.000 0.425 231 A N -0.909 121.906 122.820 -0.009 0.000 2.527 231 A HA 0.736 5.059 4.320 0.005 0.000 0.293 231 A C -2.643 174.557 177.584 -0.639 0.000 1.117 231 A CA -1.488 50.280 52.037 -0.449 0.000 0.723 231 A CB 0.484 19.255 19.000 -0.382 0.000 1.313 231 A HN -0.133 nan 8.150 nan 0.000 0.411 232 P HA 0.139 nan 4.420 nan 0.000 0.264 232 P C -1.003 176.191 177.300 -0.177 0.000 1.183 232 P CA 0.554 63.026 63.100 -1.047 0.000 0.763 232 P CB 0.261 31.152 31.700 -1.349 0.000 0.807 233 Q N 4.314 124.252 119.800 0.230 0.000 2.331 233 Q HA 0.377 4.720 4.340 0.005 0.000 0.267 233 Q C -2.401 173.704 176.000 0.174 0.000 1.006 233 Q CA -2.406 53.516 55.803 0.198 0.000 0.818 233 Q CB 1.254 30.060 28.738 0.113 0.000 1.276 233 Q HN 0.297 nan 8.270 nan 0.000 0.450 234 P HA -0.042 nan 4.420 nan 0.000 0.264 234 P C -0.127 177.062 177.300 -0.185 0.000 1.193 234 P CA 0.412 63.268 63.100 -0.406 0.000 0.763 234 P CB 0.639 32.173 31.700 -0.277 0.000 0.810 235 M N 1.769 121.268 119.600 -0.168 0.000 2.962 235 M HA 0.189 4.672 4.480 0.005 0.000 0.242 235 M C 0.525 176.805 176.300 -0.033 0.000 1.396 235 M CA 1.452 56.723 55.300 -0.048 0.000 1.287 235 M CB -0.533 32.083 32.600 0.026 0.000 1.168 235 M HN 0.208 nan 8.290 nan 0.000 0.557 236 K N 0.405 120.791 120.400 -0.023 0.000 2.385 236 K HA 0.685 5.008 4.320 0.005 0.000 0.248 236 K C -1.317 175.282 176.600 -0.001 0.000 0.955 236 K CA -0.487 55.806 56.287 0.010 0.000 0.816 236 K CB 3.393 35.923 32.500 0.051 0.000 1.250 236 K HN -0.109 nan 8.250 nan 0.000 0.434 237 V N 1.103 121.031 119.914 0.023 0.000 2.680 237 V HA 0.771 4.894 4.120 0.005 0.000 0.309 237 V C -0.963 175.167 176.094 0.059 0.000 1.052 237 V CA -0.861 61.454 62.300 0.025 0.000 0.908 237 V CB 1.718 33.540 31.823 -0.001 0.000 1.001 237 V HN 0.910 nan 8.190 nan 0.000 0.431 238 A N 4.020 126.894 122.820 0.090 0.000 2.422 238 A HA 0.854 5.177 4.320 0.005 0.000 0.302 238 A C -1.319 176.322 177.584 0.096 0.000 1.041 238 A CA -0.488 51.622 52.037 0.122 0.000 0.708 238 A CB 1.531 20.642 19.000 0.185 0.000 1.257 238 A HN 0.880 nan 8.150 nan 0.000 0.414 239 L N 2.568 123.823 121.223 0.054 0.000 2.317 239 L HA 0.840 5.183 4.340 0.005 0.000 0.281 239 L C 0.185 177.089 176.870 0.058 0.000 1.024 239 L CA -0.018 54.815 54.840 -0.013 0.000 0.810 239 L CB 1.921 43.960 42.059 -0.033 0.000 1.240 239 L HN 0.977 nan 8.230 nan 0.000 0.427 240 T N 0.267 114.834 114.554 0.023 0.000 2.883 240 T HA 0.516 4.869 4.350 0.005 0.000 0.296 240 T C -2.338 172.337 174.700 -0.041 0.000 1.117 240 T CA -1.576 60.548 62.100 0.039 0.000 1.006 240 T CB 1.742 70.684 68.868 0.122 0.000 1.191 240 T HN 0.317 nan 8.240 nan 0.000 0.508 241 P HA 0.004 nan 4.420 nan 0.000 0.218 241 P C 0.839 178.017 177.300 -0.204 0.000 1.148 241 P CA 1.215 64.263 63.100 -0.086 0.000 0.822 241 P CB -0.032 31.628 31.700 -0.067 0.000 0.784 242 N N -2.791 115.689 118.700 -0.367 0.000 2.415 242 N HA 0.139 4.882 4.740 0.005 0.000 0.174 242 N C -0.155 174.816 175.510 -0.898 0.000 1.048 242 N CA 0.076 52.678 53.050 -0.748 0.000 0.895 242 N CB 0.231 37.995 38.487 -1.205 0.000 1.036 242 N HN 0.079 nan 8.380 nan 0.000 0.449 243 F N 0.624 120.415 119.950 -0.265 0.000 2.569 243 F HA 0.380 4.910 4.527 0.005 0.000 0.312 243 F C -0.765 174.736 175.800 -0.499 0.000 1.109 243 F CA -1.191 56.531 58.000 -0.464 0.000 0.919 243 F CB 1.500 40.040 39.000 -0.767 0.000 1.211 243 F HN -0.232 nan 8.300 nan 0.000 0.446 244 L N 3.594 124.642 121.223 -0.291 0.000 2.331 244 L HA 0.315 4.658 4.340 0.005 0.000 0.278 244 L C -0.844 175.831 176.870 -0.324 0.000 1.106 244 L CA -0.768 53.882 54.840 -0.317 0.000 0.824 244 L CB -0.071 41.776 42.059 -0.354 0.000 1.142 244 L HN 0.436 nan 8.230 nan 0.000 0.443 245 Y N 2.866 123.164 120.300 -0.003 0.000 2.377 245 Y HA 0.667 5.220 4.550 0.005 0.000 0.339 245 Y C -0.009 175.921 175.900 0.050 0.000 1.011 245 Y CA -0.931 57.195 58.100 0.044 0.000 1.093 245 Y CB 1.839 40.336 38.460 0.060 0.000 1.201 245 Y HN 0.213 nan 8.280 nan 0.000 0.455 246 V N 1.779 121.855 119.914 0.270 0.000 2.686 246 V HA 0.445 4.568 4.120 0.005 0.000 0.306 246 V C -0.416 175.740 176.094 0.104 0.000 1.065 246 V CA -1.080 61.284 62.300 0.106 0.000 0.894 246 V CB 1.961 33.806 31.823 0.036 0.000 1.004 246 V HN 0.858 nan 8.190 nan 0.000 0.424 247 T N 1.063 115.621 114.554 0.006 0.000 2.907 247 T HA 0.790 5.142 4.350 0.005 0.000 0.284 247 T C -0.992 173.704 174.700 -0.007 0.000 1.004 247 T CA -0.502 61.660 62.100 0.104 0.000 1.063 247 T CB 1.300 70.275 68.868 0.177 0.000 0.992 247 T HN 0.440 nan 8.240 nan 0.000 0.483 248 Y N 0.054 120.519 120.300 0.274 0.000 2.545 248 Y HA 0.710 5.263 4.550 0.005 0.000 0.348 248 Y C 0.226 176.351 175.900 0.375 0.000 1.002 248 Y CA -0.842 57.414 58.100 0.261 0.000 1.039 248 Y CB 2.494 41.092 38.460 0.229 0.000 1.271 248 Y HN 1.197 nan 8.280 nan 0.000 0.467 249 A N 0.571 123.718 122.820 0.545 0.000 2.557 249 A HA 0.383 4.706 4.320 0.005 0.000 0.292 249 A C -0.823 177.144 177.584 0.637 0.000 1.139 249 A CA -0.314 52.062 52.037 0.564 0.000 0.665 249 A CB 0.928 20.125 19.000 0.327 0.000 1.285 249 A HN 0.735 nan 8.150 nan 0.000 0.433 250 D N -1.312 119.424 120.400 0.560 0.000 2.369 250 D HA 0.218 4.861 4.640 0.005 0.000 0.211 250 D C -0.342 176.204 176.300 0.410 0.000 1.077 250 D CA 0.497 54.822 54.000 0.542 0.000 0.842 250 D CB 0.352 41.372 40.800 0.367 0.000 0.947 250 D HN 0.329 nan 8.370 nan 0.000 0.509 251 Y N -0.269 120.107 120.300 0.126 0.000 2.581 251 Y HA 0.310 4.863 4.550 0.005 0.000 0.337 251 Y C -2.195 173.681 175.900 -0.039 0.000 1.108 251 Y CA -1.979 56.126 58.100 0.008 0.000 1.033 251 Y CB 2.092 40.519 38.460 -0.054 0.000 1.318 251 Y HN -0.369 nan 8.280 nan 0.000 0.459 252 P HA 0.149 nan 4.420 nan 0.000 0.221 252 P C 0.072 177.222 177.300 -0.250 0.000 1.150 252 P CA 1.959 64.870 63.100 -0.314 0.000 0.800 252 P CB 0.213 31.656 31.700 -0.429 0.000 0.787 253 G N -0.314 108.314 108.800 -0.287 0.000 2.728 253 G HA2 -0.143 3.820 3.960 0.005 0.000 0.294 253 G HA3 -0.143 3.820 3.960 0.005 0.000 0.294 253 G C -2.240 172.385 174.900 -0.459 0.000 1.342 253 G CA -0.139 44.780 45.100 -0.302 0.000 0.866 253 G HN -0.009 nan 8.290 nan 0.000 0.534 254 P HA 0.164 nan 4.420 nan 0.000 0.240 254 P C 0.736 177.556 177.300 -0.800 0.000 1.190 254 P CA 1.357 63.981 63.100 -0.795 0.000 0.781 254 P CB 0.048 30.966 31.700 -1.304 0.000 0.931 255 W N -1.846 119.193 121.300 -0.436 0.000 2.758 255 W HA 0.542 5.205 4.660 0.005 0.000 0.355 255 W C 0.532 177.088 176.519 0.063 0.000 1.223 255 W CA -0.465 56.845 57.345 -0.058 0.000 1.182 255 W CB -0.059 29.502 29.460 0.168 0.000 1.464 255 W HN 0.176 nan 8.180 nan 0.000 0.630 256 G N -0.155 108.842 108.800 0.328 0.000 2.179 256 G HA2 -0.264 3.699 3.960 0.005 0.000 0.260 256 G HA3 -0.264 3.699 3.960 0.005 0.000 0.260 256 G C -0.436 174.367 174.900 -0.162 0.000 0.977 256 G CA 0.102 45.186 45.100 -0.026 0.000 0.641 256 G HN 0.520 nan 8.290 nan 0.000 0.533 257 V N 1.641 121.551 119.914 -0.006 0.000 2.530 257 V HA 0.536 4.659 4.120 0.005 0.000 0.282 257 V C 1.541 177.559 176.094 -0.127 0.000 1.048 257 V CA 1.089 63.394 62.300 0.008 0.000 0.997 257 V CB 1.354 33.199 31.823 0.037 0.000 0.987 257 V HN 0.709 nan 8.190 nan 0.000 0.477 258 T N 0.478 114.951 114.554 -0.135 0.000 2.964 258 T HA 0.367 4.720 4.350 0.005 0.000 0.250 258 T C 0.041 174.378 174.700 -0.604 0.000 0.982 258 T CA 0.118 61.961 62.100 -0.428 0.000 0.959 258 T CB 0.182 68.811 68.868 -0.397 0.000 1.141 258 T HN 0.239 nan 8.240 nan 0.000 0.494 259 F N 0.617 120.499 119.950 -0.112 0.000 2.603 259 F HA 0.779 5.309 4.527 0.005 0.000 0.317 259 F C 0.604 176.473 175.800 0.115 0.000 1.066 259 F CA -0.600 57.326 58.000 -0.123 0.000 0.941 259 F CB 2.421 41.087 39.000 -0.556 0.000 1.291 259 F HN 0.356 nan 8.300 nan 0.000 0.472 260 G N 0.805 109.928 108.800 0.539 0.000 2.506 260 G HA2 0.624 4.587 3.960 0.005 0.000 0.292 260 G HA3 0.624 4.587 3.960 0.005 0.000 0.292 260 G C -2.068 173.307 174.900 0.792 0.000 1.425 260 G CA -0.713 44.869 45.100 0.803 0.000 0.788 260 G HN 0.539 nan 8.290 nan 0.000 0.490 261 E N -1.787 118.809 120.200 0.660 0.000 2.458 261 E HA 0.657 5.010 4.350 0.005 0.000 0.278 261 E C -1.444 175.210 176.600 0.089 0.000 1.004 261 E CA -0.879 55.678 56.400 0.262 0.000 0.823 261 E CB 3.025 32.920 29.700 0.325 0.000 1.396 261 E HN 0.367 nan 8.360 nan 0.000 0.463 262 V N 0.985 120.755 119.914 -0.240 0.000 2.577 262 V HA 0.475 4.598 4.120 0.005 0.000 0.303 262 V C -1.417 174.642 176.094 -0.059 0.000 1.042 262 V CA -0.801 61.448 62.300 -0.085 0.000 0.872 262 V CB 0.990 32.575 31.823 -0.396 0.000 0.998 262 V HN 0.595 nan 8.190 nan 0.000 0.423 263 W N 2.688 124.162 121.300 0.290 0.000 2.799 263 W HA 0.797 5.460 4.660 0.005 0.000 0.349 263 W C 0.017 176.701 176.519 0.275 0.000 1.100 263 W CA -0.724 56.819 57.345 0.330 0.000 1.174 263 W CB 1.780 31.556 29.460 0.526 0.000 1.427 263 W HN 0.387 nan 8.180 nan 0.000 0.547 264 R N 2.238 122.991 120.500 0.421 0.000 2.532 264 R HA 0.280 4.623 4.340 0.005 0.000 0.297 264 R C -0.991 175.216 176.300 -0.155 0.000 0.984 264 R CA -0.579 55.548 56.100 0.044 0.000 0.884 264 R CB 1.795 32.018 30.300 -0.129 0.000 1.182 264 R HN 0.572 nan 8.270 nan 0.000 0.442 265 Q N 3.326 122.848 119.800 -0.462 0.000 2.271 265 Q HA 0.148 4.491 4.340 0.005 0.000 0.258 265 Q C -1.092 174.743 176.000 -0.276 0.000 0.936 265 Q CA -0.540 54.813 55.803 -0.750 0.000 0.909 265 Q CB 1.504 29.497 28.738 -1.240 0.000 1.253 265 Q HN 0.670 nan 8.270 nan 0.000 0.440 266 N N 2.294 120.891 118.700 -0.171 0.000 2.431 266 N HA 0.021 4.764 4.740 0.005 0.000 0.265 266 N C 0.684 176.100 175.510 -0.156 0.000 1.184 266 N CA 0.061 53.075 53.050 -0.059 0.000 0.943 266 N CB 0.577 39.057 38.487 -0.011 0.000 1.080 266 N HN 0.449 nan 8.380 nan 0.000 0.477 267 R N 1.557 121.952 120.500 -0.175 0.000 2.276 267 R HA -0.014 4.329 4.340 0.005 0.000 0.203 267 R C 0.890 177.136 176.300 -0.090 0.000 1.017 267 R CA 0.884 56.915 56.100 -0.116 0.000 1.010 267 R CB 0.203 30.441 30.300 -0.105 0.000 0.900 267 R HN 0.578 nan 8.270 nan 0.000 0.469 268 T N -0.427 114.057 114.554 -0.116 0.000 2.988 268 T HA -0.059 4.294 4.350 0.005 0.000 0.240 268 T C 1.896 176.558 174.700 -0.063 0.000 1.014 268 T CA 1.255 63.301 62.100 -0.090 0.000 1.155 268 T CB 0.100 68.905 68.868 -0.105 0.000 0.872 268 T HN 0.287 nan 8.240 nan 0.000 0.440 269 S N 0.388 116.054 115.700 -0.056 0.000 2.503 269 S HA 0.362 4.835 4.470 0.005 0.000 0.217 269 S C 1.922 176.512 174.600 -0.016 0.000 0.999 269 S CA 0.716 58.899 58.200 -0.028 0.000 0.914 269 S CB -0.154 63.038 63.200 -0.014 0.000 0.782 269 S HN 0.757 nan 8.310 nan 0.000 0.520 270 G N 1.113 109.889 108.800 -0.041 0.000 2.162 270 G HA2 -0.141 3.822 3.960 0.005 0.000 0.260 270 G HA3 -0.141 3.822 3.960 0.005 0.000 0.260 270 G C 0.250 175.135 174.900 -0.025 0.000 0.976 270 G CA 0.028 45.106 45.100 -0.036 0.000 0.655 270 G HN 1.317 nan 8.290 nan 0.000 0.533 271 A N -0.603 122.204 122.820 -0.020 0.000 2.440 271 A HA 0.562 4.884 4.320 0.005 0.000 0.251 271 A C -0.100 177.487 177.584 0.006 0.000 1.089 271 A CA 0.031 52.104 52.037 0.060 0.000 0.779 271 A CB 0.311 19.352 19.000 0.070 0.000 1.022 271 A HN 0.626 nan 8.150 nan 0.000 0.492 272 W N 1.361 122.722 121.300 0.102 0.000 2.429 272 W HA 0.430 5.093 4.660 0.005 0.000 0.314 272 W C -0.628 176.073 176.519 0.303 0.000 1.062 272 W CA -0.053 57.402 57.345 0.184 0.000 1.211 272 W CB 1.572 31.080 29.460 0.079 0.000 1.305 272 W HN 0.571 nan 8.180 nan 0.000 0.476 273 D N 2.403 123.097 120.400 0.490 0.000 2.375 273 D HA 0.025 4.668 4.640 0.005 0.000 0.247 273 D C -0.998 175.375 176.300 0.122 0.000 1.061 273 D CA -0.562 53.608 54.000 0.284 0.000 0.834 273 D CB 2.043 42.884 40.800 0.068 0.000 1.247 273 D HN 0.252 nan 8.370 nan 0.000 0.489 274 D N 2.207 122.392 120.400 -0.358 0.000 2.359 274 D HA 0.065 4.708 4.640 0.005 0.000 0.250 274 D C 0.905 176.921 176.300 -0.473 0.000 1.264 274 D CA -0.278 53.096 54.000 -1.044 0.000 0.911 274 D CB 0.153 40.289 40.800 -1.107 0.000 1.056 274 D HN 0.413 nan 8.370 nan 0.000 0.499 275 I N 0.325 120.690 120.570 -0.341 0.000 3.914 275 I HA 0.226 4.399 4.170 0.005 0.000 0.333 275 I C 0.188 176.278 176.117 -0.044 0.000 1.449 275 I CA -0.637 60.628 61.300 -0.058 0.000 1.135 275 I CB -0.097 37.964 38.000 0.101 0.000 1.073 275 I HN -0.041 nan 8.210 nan 0.000 0.401 276 T N 4.940 119.284 114.554 -0.351 0.000 2.750 276 T HA 0.047 4.400 4.350 0.005 0.000 0.277 276 T C -2.258 172.160 174.700 -0.469 0.000 0.996 276 T CA -0.183 61.604 62.100 -0.523 0.000 1.195 276 T CB -0.402 68.222 68.868 -0.406 0.000 0.963 276 T HN 0.186 nan 8.240 nan 0.000 0.516 277 P HA 0.129 nan 4.420 nan 0.000 0.261 277 P C 0.080 177.108 177.300 -0.454 0.000 1.183 277 P CA 0.151 62.648 63.100 -1.006 0.000 0.761 277 P CB 0.404 30.860 31.700 -2.074 0.000 0.785 278 R N 0.533 120.903 120.500 -0.217 0.000 2.741 278 R HA 0.472 4.815 4.340 0.005 0.000 0.274 278 R C -1.517 174.773 176.300 -0.017 0.000 1.029 278 R CA -1.070 54.985 56.100 -0.075 0.000 0.880 278 R CB 0.205 30.469 30.300 -0.061 0.000 1.264 278 R HN -0.021 nan 8.270 nan 0.000 0.465 279 V N 1.457 121.375 119.914 0.006 0.000 2.557 279 V HA 0.263 4.386 4.120 0.005 0.000 0.301 279 V C 1.474 177.573 176.094 0.007 0.000 1.026 279 V CA 2.098 64.407 62.300 0.014 0.000 1.137 279 V CB 0.329 32.157 31.823 0.009 0.000 0.917 279 V HN 1.104 nan 8.190 nan 0.000 0.484 280 G N 4.617 113.426 108.800 0.014 0.000 2.279 280 G HA2 -0.249 3.714 3.960 0.005 0.000 0.223 280 G HA3 -0.249 3.714 3.960 0.005 0.000 0.223 280 G C 0.535 175.444 174.900 0.016 0.000 1.015 280 G CA 0.316 45.422 45.100 0.009 0.000 0.621 280 G HN 0.945 nan 8.290 nan 0.000 0.506 281 N N 0.380 119.101 118.700 0.035 0.000 2.177 281 N HA 0.339 5.082 4.740 0.005 0.000 0.218 281 N C 0.287 175.874 175.510 0.128 0.000 1.182 281 N CA 0.956 54.045 53.050 0.064 0.000 0.882 281 N CB 0.383 38.922 38.487 0.086 0.000 1.052 281 N HN 1.080 nan 8.380 nan 0.000 0.519 282 S N -1.335 114.432 115.700 0.111 0.000 2.546 282 S HA 0.712 5.185 4.470 0.005 0.000 0.274 282 S C -1.049 173.618 174.600 0.112 0.000 1.121 282 S CA -0.751 57.544 58.200 0.158 0.000 0.887 282 S CB 2.105 65.396 63.200 0.151 0.000 1.094 282 S HN 0.108 nan 8.310 nan 0.000 0.474 283 S N 1.689 117.458 115.700 0.115 0.000 2.547 283 S HA 0.752 5.225 4.470 0.005 0.000 0.281 283 S C -3.057 171.568 174.600 0.042 0.000 1.118 283 S CA -1.408 56.830 58.200 0.064 0.000 0.947 283 S CB 1.108 64.332 63.200 0.040 0.000 1.053 283 S HN 0.530 nan 8.310 nan 0.000 0.482 284 P HA 0.209 nan 4.420 nan 0.000 0.269 284 P C -0.633 176.688 177.300 0.036 0.000 1.217 284 P CA -0.100 63.003 63.100 0.006 0.000 0.783 284 P CB 0.250 31.931 31.700 -0.033 0.000 0.898 285 A N 3.565 126.417 122.820 0.053 0.000 2.492 285 A HA 0.268 4.591 4.320 0.005 0.000 0.236 285 A C -1.954 175.698 177.584 0.113 0.000 1.078 285 A CA -0.717 51.364 52.037 0.074 0.000 0.773 285 A CB -1.664 17.369 19.000 0.055 0.000 1.023 285 A HN 0.436 nan 8.150 nan 0.000 0.504 286 P HA -0.041 nan 4.420 nan 0.000 0.266 286 P C -0.447 176.999 177.300 0.243 0.000 1.193 286 P CA 0.455 63.680 63.100 0.209 0.000 0.770 286 P CB 0.089 31.888 31.700 0.164 0.000 0.836 287 Y N 3.181 123.631 120.300 0.249 0.000 2.729 287 Y HA -0.109 4.444 4.550 0.005 0.000 0.331 287 Y C 1.084 177.057 175.900 0.122 0.000 1.208 287 Y CA 0.145 58.379 58.100 0.224 0.000 1.521 287 Y CB -0.151 38.444 38.460 0.226 0.000 1.233 287 Y HN 0.342 nan 8.280 nan 0.000 0.539 288 N N 5.439 123.883 118.700 -0.428 0.000 2.513 288 N HA -0.052 4.691 4.740 0.005 0.000 0.268 288 N C -0.553 174.632 175.510 -0.541 0.000 1.180 288 N CA 0.161 53.000 53.050 -0.352 0.000 0.948 288 N CB 0.226 38.562 38.487 -0.251 0.000 1.083 288 N HN 0.944 nan 8.380 nan 0.000 0.455 289 N N 1.466 120.043 118.700 -0.206 0.000 2.846 289 N HA -0.190 4.553 4.740 0.005 0.000 0.249 289 N C -1.135 174.471 175.510 0.159 0.000 1.090 289 N CA 0.350 53.361 53.050 -0.064 0.000 0.674 289 N CB -0.962 37.464 38.487 -0.102 0.000 0.938 289 N HN 0.750 nan 8.380 nan 0.000 0.559 290 Q N 0.125 120.065 119.800 0.233 0.000 2.337 290 Q HA 0.289 4.632 4.340 0.005 0.000 0.270 290 Q C -0.356 175.850 176.000 0.344 0.000 1.002 290 Q CA 0.543 56.560 55.803 0.357 0.000 0.888 290 Q CB 0.583 29.541 28.738 0.365 0.000 1.222 290 Q HN 0.319 nan 8.270 nan 0.000 0.400 291 T N 4.763 119.430 114.554 0.188 0.000 2.869 291 T HA 0.215 4.568 4.350 0.005 0.000 0.295 291 T C -0.440 174.219 174.700 -0.069 0.000 0.987 291 T CA -0.327 61.824 62.100 0.083 0.000 1.109 291 T CB 0.082 68.934 68.868 -0.027 0.000 0.932 291 T HN 0.501 nan 8.240 nan 0.000 0.518 292 F N 6.375 126.097 119.950 -0.381 0.000 2.538 292 F HA 0.354 4.884 4.527 0.005 0.000 0.371 292 F C -1.870 173.642 175.800 -0.480 0.000 1.087 292 F CA -1.825 55.678 58.000 -0.829 0.000 1.250 292 F CB 0.442 38.915 39.000 -0.878 0.000 1.110 292 F HN 0.318 nan 8.300 nan 0.000 0.570 293 P HA 0.334 nan 4.420 nan 0.000 0.285 293 P C -0.725 176.146 177.300 -0.715 0.000 1.280 293 P CA -0.517 61.648 63.100 -1.559 0.000 0.862 293 P CB 1.663 32.319 31.700 -1.740 0.000 1.153 294 A N 0.687 123.212 122.820 -0.491 0.000 2.066 294 A HA 0.394 4.717 4.320 0.005 0.000 0.218 294 A C 1.181 178.619 177.584 -0.245 0.000 1.157 294 A CA 1.343 53.291 52.037 -0.148 0.000 0.670 294 A CB -1.525 17.555 19.000 0.133 0.000 0.804 294 A HN 0.936 nan 8.150 nan 0.000 0.453 295 G N -2.396 106.176 108.800 -0.380 0.000 2.693 295 G HA2 0.269 4.232 3.960 0.005 0.000 0.226 295 G HA3 0.269 4.232 3.960 0.005 0.000 0.226 295 G C 0.432 175.217 174.900 -0.192 0.000 1.354 295 G CA -0.278 44.645 45.100 -0.296 0.000 0.873 295 G HN 1.426 nan 8.290 nan 0.000 0.562 296 G N -1.944 106.771 108.800 -0.142 0.000 3.122 296 G HA2 0.836 4.799 3.960 0.005 0.000 0.180 296 G HA3 0.836 4.799 3.960 0.005 0.000 0.180 296 G C -1.082 173.634 174.900 -0.306 0.000 1.279 296 G CA -0.687 44.420 45.100 0.012 0.000 0.987 296 G HN 0.869 nan 8.290 nan 0.000 0.589 297 F N -2.167 117.866 119.950 0.138 0.000 2.577 297 F HA 0.597 5.127 4.527 0.005 0.000 0.318 297 F C 0.536 176.387 175.800 0.086 0.000 1.065 297 F CA -0.602 57.456 58.000 0.096 0.000 0.929 297 F CB 2.325 41.377 39.000 0.087 0.000 1.237 297 F HN 0.607 nan 8.300 nan 0.000 0.468 298 C N 0.150 119.580 119.300 0.216 0.000 3.227 298 C HA 0.486 4.949 4.460 0.005 0.000 0.291 298 C C 1.122 176.192 174.990 0.133 0.000 2.322 298 C CA 0.613 59.715 59.018 0.141 0.000 1.499 298 C CB -0.234 27.558 27.740 0.088 0.000 1.621 298 C HN 1.034 nan 8.230 nan 0.000 0.665 299 G N 2.340 111.214 108.800 0.123 0.000 2.257 299 G HA2 0.368 4.331 3.960 0.005 0.000 0.235 299 G HA3 0.368 4.331 3.960 0.005 0.000 0.235 299 G C -1.000 173.975 174.900 0.126 0.000 1.225 299 G CA 1.132 46.304 45.100 0.120 0.000 0.878 299 G HN 1.150 nan 8.290 nan 0.000 0.505 300 L N 1.216 122.506 121.223 0.111 0.000 2.611 300 L HA 0.730 5.073 4.340 0.005 0.000 0.260 300 L C -0.661 176.262 176.870 0.088 0.000 0.924 300 L CA -0.451 54.448 54.840 0.099 0.000 0.901 300 L CB 2.195 44.312 42.059 0.097 0.000 1.369 300 L HN 0.672 nan 8.230 nan 0.000 0.415 301 S N 3.107 118.850 115.700 0.072 0.000 2.566 301 S HA 0.834 5.307 4.470 0.005 0.000 0.273 301 S C -1.653 172.967 174.600 0.032 0.000 1.157 301 S CA -0.428 57.812 58.200 0.067 0.000 0.938 301 S CB 1.536 64.785 63.200 0.082 0.000 1.087 301 S HN 0.585 nan 8.310 nan 0.000 0.474 302 V N 3.846 123.781 119.914 0.035 0.000 2.483 302 V HA 0.409 4.532 4.120 0.005 0.000 0.295 302 V C -0.058 176.055 176.094 0.032 0.000 1.035 302 V CA -0.836 61.474 62.300 0.016 0.000 0.896 302 V CB 1.741 33.607 31.823 0.072 0.000 0.986 302 V HN 0.919 nan 8.190 nan 0.000 0.447 303 D N 3.591 124.003 120.400 0.020 0.000 2.358 303 D HA 0.208 4.851 4.640 0.005 0.000 0.258 303 D C 0.991 177.300 176.300 0.014 0.000 1.223 303 D CA 0.336 54.346 54.000 0.017 0.000 0.886 303 D CB 1.851 42.658 40.800 0.013 0.000 1.120 303 D HN 0.620 nan 8.370 nan 0.000 0.482 304 A N 3.321 126.136 122.820 -0.008 0.000 2.070 304 A HA -0.127 4.196 4.320 0.005 0.000 0.220 304 A C 1.984 179.545 177.584 -0.038 0.000 1.159 304 A CA 1.521 53.541 52.037 -0.028 0.000 0.656 304 A CB -0.256 18.696 19.000 -0.080 0.000 0.800 304 A HN 0.608 nan 8.150 nan 0.000 0.453 305 T N -1.223 113.308 114.554 -0.039 0.000 3.065 305 T HA 0.097 4.450 4.350 0.005 0.000 0.252 305 T C 0.351 175.049 174.700 -0.004 0.000 1.099 305 T CA 0.513 62.594 62.100 -0.031 0.000 1.063 305 T CB -0.500 68.347 68.868 -0.035 0.000 0.948 305 T HN 0.624 nan 8.240 nan 0.000 0.506 306 N N 0.498 119.204 118.700 0.011 0.000 2.747 306 N HA 0.210 4.953 4.740 0.005 0.000 0.262 306 N C -2.650 172.891 175.510 0.053 0.000 1.261 306 N CA -1.315 51.751 53.050 0.026 0.000 0.809 306 N CB 1.802 40.297 38.487 0.014 0.000 1.450 306 N HN -0.095 nan 8.380 nan 0.000 0.560 307 P HA -0.015 nan 4.420 nan 0.000 0.234 307 P C 0.005 177.449 177.300 0.239 0.000 1.167 307 P CA 0.928 64.125 63.100 0.161 0.000 0.763 307 P CB 0.100 31.888 31.700 0.148 0.000 0.835 308 N N -0.767 118.025 118.700 0.153 0.000 2.373 308 N HA 0.012 4.755 4.740 0.005 0.000 0.181 308 N C 0.904 176.410 175.510 -0.007 0.000 1.082 308 N CA -0.188 52.935 53.050 0.122 0.000 0.885 308 N CB 0.043 38.582 38.487 0.086 0.000 0.977 308 N HN 0.018 nan 8.380 nan 0.000 0.462 309 R N 2.038 122.531 120.500 -0.011 0.000 2.229 309 R HA 0.402 4.745 4.340 0.005 0.000 0.332 309 R C -1.141 175.118 176.300 -0.068 0.000 0.989 309 R CA -0.357 55.713 56.100 -0.050 0.000 0.842 309 R CB 0.270 30.560 30.300 -0.017 0.000 1.119 309 R HN 0.095 nan 8.270 nan 0.000 0.456 310 L N 1.805 122.962 121.223 -0.111 0.000 2.409 310 L HA 0.816 5.159 4.340 0.005 0.000 0.255 310 L C -1.070 175.844 176.870 0.073 0.000 1.027 310 L CA -1.276 53.510 54.840 -0.091 0.000 0.834 310 L CB 1.866 43.726 42.059 -0.332 0.000 1.426 310 L HN 0.320 nan 8.230 nan 0.000 0.411 311 V N -0.722 119.264 119.914 0.121 0.000 2.864 311 V HA 0.928 5.051 4.120 0.005 0.000 0.314 311 V C -0.635 175.571 176.094 0.187 0.000 1.073 311 V CA -0.647 61.786 62.300 0.221 0.000 0.956 311 V CB 1.771 33.697 31.823 0.171 0.000 1.023 311 V HN 0.706 nan 8.190 nan 0.000 0.435 312 V N 3.508 123.526 119.914 0.172 0.000 3.049 312 V HA 0.649 4.772 4.120 0.005 0.000 0.309 312 V C -0.755 175.441 176.094 0.170 0.000 1.148 312 V CA -0.444 61.925 62.300 0.115 0.000 0.990 312 V CB 2.203 33.992 31.823 -0.055 0.000 1.039 312 V HN 0.916 nan 8.190 nan 0.000 0.430 313 I N 1.839 122.536 120.570 0.212 0.000 2.619 313 I HA 0.413 4.586 4.170 0.005 0.000 0.292 313 I C 0.258 176.404 176.117 0.048 0.000 1.100 313 I CA -0.653 60.713 61.300 0.110 0.000 1.043 313 I CB 2.542 40.559 38.000 0.029 0.000 1.239 313 I HN 0.732 nan 8.210 nan 0.000 0.420 314 T N 3.452 117.903 114.554 -0.172 0.000 2.856 314 T HA 0.415 4.768 4.350 0.005 0.000 0.306 314 T C -0.370 174.205 174.700 -0.208 0.000 1.062 314 T CA -0.440 61.379 62.100 -0.469 0.000 1.083 314 T CB 1.496 70.115 68.868 -0.414 0.000 0.984 314 T HN 0.456 nan 8.240 nan 0.000 0.542 315 L N 1.898 122.996 121.223 -0.208 0.000 2.376 315 L HA 0.325 4.668 4.340 0.005 0.000 0.275 315 L C -0.740 176.091 176.870 -0.065 0.000 0.987 315 L CA -0.394 54.409 54.840 -0.062 0.000 0.828 315 L CB 1.320 43.364 42.059 -0.025 0.000 1.249 315 L HN 0.898 nan 8.230 nan 0.000 0.409 316 D N 1.825 122.239 120.400 0.023 0.000 2.907 316 D HA -0.203 4.440 4.640 0.005 0.000 0.226 316 D C 0.449 176.672 176.300 -0.128 0.000 1.141 316 D CA 0.737 54.742 54.000 0.008 0.000 0.779 316 D CB -0.744 40.058 40.800 0.003 0.000 1.095 316 D HN 0.490 nan 8.370 nan 0.000 0.430 317 R N 1.536 121.955 120.500 -0.136 0.000 2.878 317 R HA 0.259 4.602 4.340 0.005 0.000 0.239 317 R C -0.856 175.340 176.300 -0.173 0.000 1.515 317 R CA 0.140 56.132 56.100 -0.180 0.000 1.210 317 R CB 0.177 30.391 30.300 -0.144 0.000 1.209 317 R HN 0.054 nan 8.270 nan 0.000 0.610 318 D N 3.218 123.486 120.400 -0.220 0.000 2.746 318 D HA 0.091 4.734 4.640 0.005 0.000 0.211 318 D C -2.426 173.722 176.300 -0.255 0.000 1.242 318 D CA -1.311 52.559 54.000 -0.216 0.000 0.790 318 D CB 2.009 42.722 40.800 -0.146 0.000 1.744 318 D HN 0.220 nan 8.370 nan 0.000 0.520 319 P HA 0.282 nan 4.420 nan 0.000 0.261 319 P C 0.750 177.887 177.300 -0.271 0.000 1.268 319 P CA 0.754 63.698 63.100 -0.259 0.000 0.833 319 P CB 0.385 31.943 31.700 -0.237 0.000 1.231 320 G N 1.655 110.300 108.800 -0.259 0.000 2.796 320 G HA2 -0.156 3.807 3.960 0.005 0.000 0.226 320 G HA3 -0.156 3.807 3.960 0.005 0.000 0.226 320 G C -2.675 172.063 174.900 -0.269 0.000 1.381 320 G CA -0.498 44.428 45.100 -0.290 0.000 0.867 320 G HN 0.184 nan 8.290 nan 0.000 0.552 321 P HA 0.405 nan 4.420 nan 0.000 0.274 321 P C 0.529 177.491 177.300 -0.563 0.000 1.264 321 P CA 1.210 63.965 63.100 -0.574 0.000 0.795 321 P CB -0.208 31.062 31.700 -0.716 0.000 1.064 322 A N -0.506 121.743 122.820 -0.951 0.000 1.433 322 A HA -0.180 4.143 4.320 0.005 0.000 0.259 322 A C 0.257 177.588 177.584 -0.422 0.000 1.145 322 A CA 0.468 52.118 52.037 -0.646 0.000 1.127 322 A CB -1.882 17.095 19.000 -0.039 0.000 0.894 322 A HN 0.422 nan 8.150 nan 0.000 0.158 323 L N 2.409 123.305 121.223 -0.545 0.000 2.543 323 L HA 0.290 4.633 4.340 0.005 0.000 0.231 323 L C 1.087 177.947 176.870 -0.018 0.000 1.194 323 L CA -0.913 53.769 54.840 -0.264 0.000 0.823 323 L CB 0.085 41.974 42.059 -0.282 0.000 1.374 323 L HN 0.728 nan 8.230 nan 0.000 0.507 324 D N 0.070 120.461 120.400 -0.015 0.000 2.423 324 D HA 0.104 4.747 4.640 0.005 0.000 0.238 324 D C -0.621 175.620 176.300 -0.099 0.000 1.142 324 D CA 0.548 54.523 54.000 -0.041 0.000 0.884 324 D CB 1.077 41.863 40.800 -0.024 0.000 1.199 324 D HN 0.289 nan 8.370 nan 0.000 0.438 325 S N 0.666 116.220 115.700 -0.244 0.000 2.542 325 S HA 0.516 4.989 4.470 0.005 0.000 0.293 325 S C -0.038 174.208 174.600 -0.590 0.000 1.089 325 S CA -0.686 57.174 58.200 -0.568 0.000 0.961 325 S CB 1.346 64.082 63.200 -0.774 0.000 1.062 325 S HN 0.241 nan 8.310 nan 0.000 0.483 326 I N 2.891 123.056 120.570 -0.674 0.000 2.359 326 I HA 0.387 4.560 4.170 0.005 0.000 0.294 326 I C -1.274 174.545 176.117 -0.497 0.000 0.987 326 I CA -0.514 60.543 61.300 -0.405 0.000 1.225 326 I CB 0.952 38.827 38.000 -0.209 0.000 1.366 326 I HN 0.592 nan 8.210 nan 0.000 0.466 327 Y N 5.921 126.182 120.300 -0.065 0.000 2.393 327 Y HA 0.490 5.043 4.550 0.005 0.000 0.341 327 Y C -0.290 175.763 175.900 0.256 0.000 0.988 327 Y CA -0.732 57.381 58.100 0.022 0.000 1.078 327 Y CB 1.878 40.199 38.460 -0.232 0.000 1.203 327 Y HN 0.330 nan 8.280 nan 0.000 0.453 328 L N 2.828 124.328 121.223 0.461 0.000 2.329 328 L HA 0.632 4.975 4.340 0.005 0.000 0.279 328 L C -0.590 176.460 176.870 0.300 0.000 1.014 328 L CA -0.273 54.781 54.840 0.357 0.000 0.814 328 L CB 1.826 43.993 42.059 0.181 0.000 1.257 328 L HN 0.695 nan 8.230 nan 0.000 0.424 329 S N 0.971 116.682 115.700 0.017 0.000 2.536 329 S HA 0.529 5.002 4.470 0.005 0.000 0.298 329 S C 0.503 174.972 174.600 -0.219 0.000 1.083 329 S CA -0.077 57.911 58.200 -0.355 0.000 0.995 329 S CB 1.675 64.263 63.200 -1.020 0.000 1.058 329 S HN 0.761 nan 8.310 nan 0.000 0.488 330 T N -0.608 113.825 114.554 -0.201 0.000 3.044 330 T HA 0.231 4.584 4.350 0.005 0.000 0.260 330 T C -0.082 174.536 174.700 -0.136 0.000 1.019 330 T CA 0.086 62.108 62.100 -0.130 0.000 0.921 330 T CB -0.270 68.549 68.868 -0.081 0.000 1.053 330 T HN 0.616 nan 8.240 nan 0.000 0.533 331 D N 1.048 121.320 120.400 -0.213 0.000 2.891 331 D HA 0.548 5.191 4.640 0.005 0.000 0.312 331 D C 0.881 177.047 176.300 -0.224 0.000 1.354 331 D CA -0.421 53.473 54.000 -0.176 0.000 0.838 331 D CB -0.056 40.643 40.800 -0.169 0.000 1.117 331 D HN 0.373 nan 8.370 nan 0.000 0.473 332 A N -0.302 122.390 122.820 -0.214 0.000 2.905 332 A HA 0.118 4.441 4.320 0.005 0.000 0.260 332 A C 1.721 179.133 177.584 -0.286 0.000 1.398 332 A CA 1.125 53.062 52.037 -0.167 0.000 0.840 332 A CB -1.994 16.882 19.000 -0.207 0.000 1.059 332 A HN 1.647 nan 8.150 nan 0.000 0.647 333 G N -3.139 105.314 108.800 -0.578 0.000 2.175 333 G HA2 0.113 4.076 3.960 0.005 0.000 0.244 333 G HA3 0.113 4.076 3.960 0.005 0.000 0.244 333 G C 1.427 175.945 174.900 -0.638 0.000 0.982 333 G CA 1.224 45.833 45.100 -0.817 0.000 0.641 333 G HN 2.265 nan 8.290 nan 0.000 0.527 334 A N -0.415 122.128 122.820 -0.461 0.000 1.877 334 A HA 0.397 4.720 4.320 0.005 0.000 0.216 334 A C 1.736 179.122 177.584 -0.329 0.000 1.186 334 A CA 2.663 54.518 52.037 -0.302 0.000 0.620 334 A CB -0.463 18.414 19.000 -0.206 0.000 0.822 334 A HN 1.895 nan 8.150 nan 0.000 0.443 335 T N -5.570 108.714 114.554 -0.449 0.000 2.930 335 T HA 0.586 4.938 4.350 0.005 0.000 0.290 335 T C -1.052 173.309 174.700 -0.566 0.000 1.052 335 T CA -0.765 61.123 62.100 -0.354 0.000 1.017 335 T CB 1.306 70.074 68.868 -0.168 0.000 1.137 335 T HN 0.382 nan 8.240 nan 0.000 0.511 336 W N 0.234 121.505 121.300 -0.048 0.000 2.915 336 W HA 0.617 5.280 4.660 0.005 0.000 0.337 336 W C -0.411 176.136 176.519 0.047 0.000 1.102 336 W CA -1.012 56.333 57.345 -0.001 0.000 1.224 336 W CB 1.944 31.382 29.460 -0.036 0.000 1.416 336 W HN 0.317 nan 8.180 nan 0.000 0.503 337 K N 2.095 122.690 120.400 0.325 0.000 2.185 337 K HA 0.151 4.474 4.320 0.005 0.000 0.269 337 K C -0.789 175.944 176.600 0.222 0.000 0.987 337 K CA -0.701 55.706 56.287 0.200 0.000 0.865 337 K CB 1.599 34.163 32.500 0.106 0.000 1.090 337 K HN 0.429 nan 8.250 nan 0.000 0.450 338 D N 3.700 124.152 120.400 0.086 0.000 2.402 338 D HA 0.026 4.669 4.640 0.005 0.000 0.235 338 D C 0.886 177.014 176.300 -0.288 0.000 1.226 338 D CA -0.114 53.753 54.000 -0.222 0.000 0.918 338 D CB 0.755 41.361 40.800 -0.323 0.000 1.043 338 D HN 0.103 nan 8.370 nan 0.000 0.506 339 V N 3.546 123.310 119.914 -0.249 0.000 2.515 339 V HA -0.206 3.917 4.120 0.005 0.000 0.250 339 V C 2.436 178.335 176.094 -0.325 0.000 1.058 339 V CA 1.634 63.860 62.300 -0.123 0.000 1.064 339 V CB -0.536 31.329 31.823 0.071 0.000 0.675 339 V HN 0.544 nan 8.190 nan 0.000 0.461 340 T N -0.635 113.445 114.554 -0.791 0.000 2.701 340 T HA -0.236 4.117 4.350 0.005 0.000 0.263 340 T C 1.969 176.107 174.700 -0.936 0.000 1.040 340 T CA 1.605 62.888 62.100 -1.362 0.000 1.147 340 T CB -0.243 67.690 68.868 -1.559 0.000 0.865 340 T HN 0.501 nan 8.240 nan 0.000 0.426 341 Q N 0.286 119.481 119.800 -1.008 0.000 2.096 341 Q HA -0.042 4.301 4.340 0.005 0.000 0.204 341 Q C 2.312 178.070 176.000 -0.404 0.000 0.982 341 Q CA 1.222 56.461 55.803 -0.941 0.000 0.850 341 Q CB -0.354 27.801 28.738 -0.971 0.000 0.901 341 Q HN 0.471 nan 8.270 nan 0.000 0.422 342 L N -0.152 120.915 121.223 -0.260 0.000 2.395 342 L HA -0.068 4.275 4.340 0.005 0.000 0.218 342 L C 1.960 178.859 176.870 0.047 0.000 1.130 342 L CA 0.426 55.230 54.840 -0.060 0.000 0.826 342 L CB 0.074 42.132 42.059 -0.001 0.000 0.941 342 L HN 0.049 nan 8.230 nan 0.000 0.451 343 S N -1.606 114.128 115.700 0.058 0.000 2.558 343 S HA 0.050 4.523 4.470 0.005 0.000 0.217 343 S C 0.983 175.671 174.600 0.146 0.000 0.975 343 S CA -0.018 58.333 58.200 0.251 0.000 0.912 343 S CB 0.160 63.684 63.200 0.541 0.000 0.776 343 S HN 0.192 nan 8.310 nan 0.000 0.526 344 S N 3.052 118.769 115.700 0.028 0.000 2.565 344 S HA 0.374 4.847 4.470 0.005 0.000 0.274 344 S C -2.243 172.411 174.600 0.088 0.000 1.309 344 S CA -1.226 57.014 58.200 0.067 0.000 1.043 344 S CB 0.643 63.915 63.200 0.120 0.000 0.939 344 S HN 0.195 nan 8.310 nan 0.000 0.504 345 P HA 0.144 nan 4.420 nan 0.000 0.272 345 P C -0.268 177.088 177.300 0.094 0.000 1.223 345 P CA -0.424 62.720 63.100 0.073 0.000 0.784 345 P CB 0.388 32.116 31.700 0.047 0.000 0.923 346 S N 0.602 116.352 115.700 0.083 0.000 2.617 346 S HA 0.122 4.595 4.470 0.005 0.000 0.259 346 S C 0.680 175.336 174.600 0.094 0.000 1.301 346 S CA -0.366 57.894 58.200 0.100 0.000 0.984 346 S CB -0.290 62.958 63.200 0.079 0.000 0.954 346 S HN 0.618 nan 8.310 nan 0.000 0.572 347 N N -0.675 118.087 118.700 0.104 0.000 2.776 347 N HA -0.124 4.619 4.740 0.005 0.000 0.250 347 N C 0.069 175.617 175.510 0.064 0.000 1.112 347 N CA 0.920 54.017 53.050 0.080 0.000 0.733 347 N CB -1.522 36.999 38.487 0.057 0.000 1.097 347 N HN 0.666 nan 8.380 nan 0.000 0.558 348 L N 0.369 121.636 121.223 0.073 0.000 2.640 348 L HA 0.149 4.492 4.340 0.005 0.000 0.230 348 L C 0.338 177.134 176.870 -0.123 0.000 1.123 348 L CA 0.125 54.971 54.840 0.010 0.000 0.900 348 L CB -0.021 42.068 42.059 0.051 0.000 1.146 348 L HN 0.093 nan 8.230 nan 0.000 0.484 349 E N 0.653 120.808 120.200 -0.075 0.000 2.230 349 E HA -0.265 4.088 4.350 0.005 0.000 0.206 349 E C 1.181 177.401 176.600 -0.633 0.000 1.309 349 E CA 0.213 56.549 56.400 -0.106 0.000 0.697 349 E CB -1.541 28.140 29.700 -0.032 0.000 1.146 349 E HN 0.680 nan 8.360 nan 0.000 0.363 350 G N 0.318 108.467 108.800 -1.086 0.000 2.304 350 G HA2 -0.353 3.610 3.960 0.005 0.000 0.252 350 G HA3 -0.353 3.610 3.960 0.005 0.000 0.252 350 G C 0.135 173.844 174.900 -1.985 0.000 1.014 350 G CA 0.174 44.061 45.100 -2.022 0.000 0.619 350 G HN 0.355 nan 8.290 nan 0.000 0.525 351 N N 1.705 119.729 118.700 -1.126 0.000 2.807 351 N HA 0.336 5.079 4.740 0.005 0.000 0.259 351 N C 0.265 175.552 175.510 -0.372 0.000 1.149 351 N CA -0.081 52.517 53.050 -0.753 0.000 1.042 351 N CB -0.185 37.962 38.487 -0.568 0.000 1.367 351 N HN 0.575 nan 8.380 nan 0.000 0.516 352 W N 1.105 122.338 121.300 -0.111 0.000 2.079 352 W HA 0.481 5.144 4.660 0.005 0.000 0.354 352 W C 1.189 177.710 176.519 0.003 0.000 1.302 352 W CA -0.590 56.693 57.345 -0.103 0.000 1.281 352 W CB 0.717 30.014 29.460 -0.271 0.000 1.165 352 W HN 0.297 nan 8.180 nan 0.000 0.603 353 G N -0.466 108.439 108.800 0.175 0.000 2.523 353 G HA2 0.277 4.240 3.960 0.005 0.000 0.291 353 G HA3 0.277 4.240 3.960 0.005 0.000 0.291 353 G C -2.053 172.777 174.900 -0.116 0.000 1.450 353 G CA -1.097 44.016 45.100 0.022 0.000 0.790 353 G HN 0.481 nan 8.290 nan 0.000 0.496 354 H N 0.734 119.731 119.070 -0.122 0.000 2.473 354 H HA 0.434 4.993 4.556 0.005 0.000 0.327 354 H C -1.984 173.296 175.328 -0.079 0.000 1.105 354 H CA -1.542 54.388 56.048 -0.197 0.000 1.280 354 H CB 1.846 31.264 29.762 -0.573 0.000 1.450 354 H HN 0.220 nan 8.280 nan 0.000 0.492 355 P HA -0.053 nan 4.420 nan 0.000 0.265 355 P C 0.753 178.121 177.300 0.113 0.000 1.187 355 P CA 0.162 63.311 63.100 0.081 0.000 0.766 355 P CB 0.681 32.437 31.700 0.093 0.000 0.820 356 T N 1.501 116.100 114.554 0.076 0.000 2.881 356 T HA -0.161 4.192 4.350 0.005 0.000 0.270 356 T C 1.599 176.344 174.700 0.076 0.000 1.068 356 T CA 1.694 63.844 62.100 0.083 0.000 1.131 356 T CB -0.714 68.179 68.868 0.042 0.000 0.871 356 T HN 0.515 nan 8.240 nan 0.000 0.479 357 N N 1.306 120.046 118.700 0.067 0.000 2.430 357 N HA -0.039 4.704 4.740 0.005 0.000 0.186 357 N C 1.565 177.131 175.510 0.093 0.000 1.032 357 N CA 0.990 54.075 53.050 0.059 0.000 0.893 357 N CB -0.236 38.281 38.487 0.051 0.000 0.957 357 N HN 0.400 nan 8.380 nan 0.000 0.442 358 A N -0.679 122.235 122.820 0.157 0.000 2.218 358 A HA 0.434 4.756 4.320 0.005 0.000 0.209 358 A C 1.244 178.979 177.584 0.252 0.000 1.168 358 A CA 0.444 52.624 52.037 0.238 0.000 0.804 358 A CB -0.301 18.868 19.000 0.281 0.000 0.834 358 A HN 0.298 nan 8.150 nan 0.000 0.482 359 A N 0.998 123.914 122.820 0.159 0.000 3.048 359 A HA 0.486 4.809 4.320 0.005 0.000 0.264 359 A C 0.420 177.897 177.584 -0.178 0.000 1.796 359 A CA -0.261 51.717 52.037 -0.097 0.000 1.445 359 A CB -0.545 18.401 19.000 -0.090 0.000 1.074 359 A HN 0.505 nan 8.150 nan 0.000 0.621 360 R N -0.290 120.147 120.500 -0.106 0.000 2.795 360 R HA 0.453 4.796 4.340 0.005 0.000 0.275 360 R C -0.943 175.400 176.300 0.072 0.000 0.981 360 R CA -0.740 55.311 56.100 -0.081 0.000 0.917 360 R CB 1.396 31.683 30.300 -0.022 0.000 1.202 360 R HN 0.583 nan 8.270 nan 0.000 0.469 361 Y N 1.352 121.635 120.300 -0.027 0.000 2.607 361 Y HA -0.164 4.389 4.550 0.005 0.000 0.348 361 Y C 1.904 177.826 175.900 0.035 0.000 1.261 361 Y CA -0.064 58.056 58.100 0.034 0.000 1.480 361 Y CB 0.651 39.129 38.460 0.031 0.000 1.358 361 Y HN 0.622 nan 8.280 nan 0.000 0.630 362 K N 0.936 121.438 120.400 0.170 0.000 2.103 362 K HA -0.232 4.091 4.320 0.005 0.000 0.207 362 K C 1.101 177.675 176.600 -0.044 0.000 1.048 362 K CA 2.008 58.224 56.287 -0.119 0.000 0.930 362 K CB -0.263 32.013 32.500 -0.373 0.000 0.716 362 K HN 0.790 nan 8.250 nan 0.000 0.444 363 D N -1.340 119.086 120.400 0.044 0.000 2.378 363 D HA -0.018 4.625 4.640 0.005 0.000 0.227 363 D C 0.995 177.319 176.300 0.039 0.000 1.012 363 D CA 0.960 54.983 54.000 0.037 0.000 0.905 363 D CB 0.084 40.922 40.800 0.063 0.000 0.895 363 D HN 0.429 nan 8.370 nan 0.000 0.532 364 G N -1.088 107.739 108.800 0.044 0.000 2.176 364 G HA2 -0.251 3.712 3.960 0.005 0.000 0.232 364 G HA3 -0.251 3.712 3.960 0.005 0.000 0.232 364 G C 0.374 175.258 174.900 -0.027 0.000 0.986 364 G CA 0.137 45.245 45.100 0.012 0.000 0.643 364 G HN 0.438 nan 8.290 nan 0.000 0.522 365 T N 4.600 119.126 114.554 -0.048 0.000 2.769 365 T HA 0.462 4.815 4.350 0.005 0.000 0.293 365 T C -1.834 172.661 174.700 -0.342 0.000 0.931 365 T CA -0.159 61.819 62.100 -0.204 0.000 1.139 365 T CB 1.602 70.277 68.868 -0.322 0.000 0.881 365 T HN 0.265 nan 8.240 nan 0.000 0.532 366 P HA 0.167 nan 4.420 nan 0.000 0.271 366 P C -0.689 176.400 177.300 -0.353 0.000 1.218 366 P CA -0.343 62.609 63.100 -0.247 0.000 0.780 366 P CB 0.600 32.207 31.700 -0.156 0.000 0.901 367 V N 4.822 124.506 119.914 -0.383 0.000 2.235 367 V HA 0.145 4.268 4.120 0.005 0.000 0.266 367 V C -1.539 174.234 176.094 -0.535 0.000 1.055 367 V CA -1.298 60.710 62.300 -0.486 0.000 0.844 367 V CB 0.686 32.156 31.823 -0.588 0.000 1.097 367 V HN 0.450 nan 8.190 nan 0.000 0.453 368 P HA -0.121 nan 4.420 nan 0.000 0.217 368 P C 1.766 178.943 177.300 -0.205 0.000 1.150 368 P CA 1.232 64.207 63.100 -0.209 0.000 0.832 368 P CB 0.026 31.666 31.700 -0.101 0.000 0.787 369 W N -0.286 120.919 121.300 -0.158 0.000 2.387 369 W HA -0.099 4.564 4.660 0.005 0.000 0.272 369 W C 1.038 177.387 176.519 -0.283 0.000 1.224 369 W CA 0.039 57.242 57.345 -0.238 0.000 1.210 369 W CB -1.557 27.729 29.460 -0.290 0.000 1.125 369 W HN -0.112 nan 8.180 nan 0.000 0.572 370 L N 3.319 123.984 121.223 -0.930 0.000 2.261 370 L HA -0.225 4.118 4.340 0.005 0.000 0.216 370 L C 2.112 179.003 176.870 0.034 0.000 1.114 370 L CA 2.505 56.947 54.840 -0.663 0.000 0.777 370 L CB -1.134 40.475 42.059 -0.749 0.000 0.910 370 L HN 0.065 nan 8.230 nan 0.000 0.440 371 D N -2.020 118.396 120.400 0.027 0.000 2.363 371 D HA -0.209 4.434 4.640 0.005 0.000 0.220 371 D C 1.131 177.644 176.300 0.356 0.000 0.994 371 D CA -0.059 54.058 54.000 0.195 0.000 0.890 371 D CB -0.624 40.233 40.800 0.095 0.000 0.906 371 D HN 0.294 nan 8.370 nan 0.000 0.530 372 F N 0.219 120.254 119.950 0.140 0.000 3.097 372 F HA -0.352 4.178 4.527 0.005 0.000 0.278 372 F C 0.449 176.319 175.800 0.116 0.000 0.917 372 F CA 0.808 58.904 58.000 0.160 0.000 0.962 372 F CB -2.745 36.325 39.000 0.117 0.000 0.964 372 F HN 0.073 nan 8.300 nan 0.000 0.668 373 N N -1.234 117.578 118.700 0.188 0.000 2.690 373 N HA -0.360 4.383 4.740 0.005 0.000 0.249 373 N C 0.148 175.738 175.510 0.134 0.000 1.125 373 N CA 0.917 54.049 53.050 0.135 0.000 0.794 373 N CB -1.228 37.332 38.487 0.121 0.000 1.152 373 N HN 0.779 nan 8.380 nan 0.000 0.571 374 N N -1.703 117.091 118.700 0.158 0.000 2.721 374 N HA -0.191 4.552 4.740 0.005 0.000 0.249 374 N C 0.601 176.167 175.510 0.093 0.000 1.072 374 N CA 0.468 53.588 53.050 0.117 0.000 0.710 374 N CB -0.986 37.556 38.487 0.091 0.000 0.993 374 N HN 0.605 nan 8.380 nan 0.000 0.547 375 G N 0.625 109.500 108.800 0.125 0.000 2.683 375 G HA2 0.334 4.297 3.960 0.005 0.000 0.260 375 G HA3 0.334 4.297 3.960 0.005 0.000 0.260 375 G C -2.011 172.917 174.900 0.047 0.000 1.238 375 G CA -0.675 44.490 45.100 0.109 0.000 0.934 375 G HN 0.060 nan 8.290 nan 0.000 0.534 376 P HA 0.102 nan 4.420 nan 0.000 0.271 376 P C -0.545 176.816 177.300 0.102 0.000 1.218 376 P CA 0.069 63.157 63.100 -0.020 0.000 0.780 376 P CB 0.956 32.474 31.700 -0.303 0.000 0.901 377 Q N 1.457 121.255 119.800 -0.003 0.000 2.256 377 Q HA 0.475 4.818 4.340 0.005 0.000 0.232 377 Q C -0.477 175.631 176.000 0.180 0.000 0.965 377 Q CA -0.077 55.659 55.803 -0.111 0.000 0.908 377 Q CB 0.765 29.354 28.738 -0.248 0.000 1.209 377 Q HN 0.580 nan 8.270 nan 0.000 0.489 378 W N -2.149 119.191 121.300 0.066 0.000 2.923 378 W HA 0.570 5.232 4.660 0.005 0.000 0.373 378 W C -0.574 175.930 176.519 -0.026 0.000 1.205 378 W CA -1.424 55.932 57.345 0.018 0.000 1.180 378 W CB -0.100 29.379 29.460 0.032 0.000 1.477 378 W HN 0.682 nan 8.180 nan 0.000 0.581 379 G N 1.361 110.309 108.800 0.247 0.000 2.151 379 G HA2 0.382 4.345 3.960 0.005 0.000 0.269 379 G HA3 0.382 4.345 3.960 0.005 0.000 0.269 379 G C 0.996 175.932 174.900 0.061 0.000 1.069 379 G CA 0.839 46.000 45.100 0.101 0.000 1.080 379 G HN 2.194 nan 8.290 nan 0.000 0.405 380 G N 1.197 109.931 108.800 -0.110 0.000 2.136 380 G HA2 -0.247 3.716 3.960 0.005 0.000 0.242 380 G HA3 -0.247 3.716 3.960 0.005 0.000 0.242 380 G C 0.025 174.762 174.900 -0.272 0.000 0.989 380 G CA 0.811 45.801 45.100 -0.184 0.000 0.682 380 G HN 1.612 nan 8.290 nan 0.000 0.522 381 Y N -0.109 119.810 120.300 -0.636 0.000 2.400 381 Y HA 0.515 5.068 4.550 0.005 0.000 0.335 381 Y C 0.828 176.191 175.900 -0.894 0.000 1.066 381 Y CA -0.271 57.262 58.100 -0.945 0.000 1.285 381 Y CB 1.087 38.533 38.460 -1.690 0.000 1.103 381 Y HN 0.231 nan 8.280 nan 0.000 0.490 382 G N 2.085 110.172 108.800 -1.189 0.000 3.192 382 G HA2 0.238 4.201 3.960 0.005 0.000 0.239 382 G HA3 0.238 4.201 3.960 0.005 0.000 0.239 382 G C 1.312 175.440 174.900 -1.287 0.000 1.084 382 G CA 0.467 44.939 45.100 -1.048 0.000 0.784 382 G HN 0.779 nan 8.290 nan 0.000 0.540 383 A N 1.682 123.410 122.820 -1.820 0.000 1.869 383 A HA -0.001 4.322 4.320 0.005 0.000 0.218 383 A C -0.614 176.309 177.584 -1.102 0.000 1.203 383 A CA 1.222 52.117 52.037 -1.903 0.000 0.638 383 A CB -1.367 16.147 19.000 -2.477 0.000 0.831 383 A HN 0.374 nan 8.150 nan 0.000 0.450 384 P HA 0.116 nan 4.420 nan 0.000 0.276 384 P C -0.650 176.545 177.300 -0.176 0.000 1.235 384 P CA 0.092 63.037 63.100 -0.258 0.000 0.772 384 P CB 0.199 31.847 31.700 -0.087 0.000 0.871 385 H N 1.703 120.710 119.070 -0.104 0.000 2.815 385 H HA 0.218 4.777 4.556 0.005 0.000 0.350 385 H C 1.807 177.093 175.328 -0.070 0.000 1.080 385 H CA 0.291 56.285 56.048 -0.090 0.000 1.433 385 H CB 0.616 30.357 29.762 -0.035 0.000 1.432 385 H HN 0.563 nan 8.280 nan 0.000 0.592 386 G N 2.948 111.789 108.800 0.068 0.000 2.448 386 G HA2 -0.129 3.834 3.960 0.005 0.000 0.218 386 G HA3 -0.129 3.834 3.960 0.005 0.000 0.218 386 G C 0.245 175.245 174.900 0.167 0.000 1.135 386 G CA 0.439 45.580 45.100 0.069 0.000 0.784 386 G HN 0.563 nan 8.290 nan 0.000 0.543 387 T N 3.183 117.953 114.554 0.359 0.000 2.727 387 T HA 0.413 4.766 4.350 0.005 0.000 0.298 387 T C -2.404 172.307 174.700 0.018 0.000 0.942 387 T CA -1.012 61.158 62.100 0.118 0.000 0.997 387 T CB 1.754 70.653 68.868 0.053 0.000 0.917 387 T HN -0.070 nan 8.240 nan 0.000 0.487 388 P HA 0.097 nan 4.420 nan 0.000 0.264 388 P C 1.088 178.380 177.300 -0.013 0.000 1.173 388 P CA 1.056 64.166 63.100 0.016 0.000 0.761 388 P CB 0.260 31.972 31.700 0.021 0.000 0.794 389 G N 1.199 109.996 108.800 -0.005 0.000 2.176 389 G HA2 -0.190 3.773 3.960 0.005 0.000 0.253 389 G HA3 -0.190 3.773 3.960 0.005 0.000 0.253 389 G C -0.237 174.641 174.900 -0.037 0.000 0.979 389 G CA -0.388 44.705 45.100 -0.012 0.000 0.641 389 G HN 0.452 nan 8.290 nan 0.000 0.530 390 L N 0.671 121.841 121.223 -0.089 0.000 2.362 390 L HA 0.650 4.993 4.340 0.005 0.000 0.271 390 L C 0.022 176.858 176.870 -0.057 0.000 1.002 390 L CA -0.570 54.164 54.840 -0.176 0.000 0.818 390 L CB 2.139 43.847 42.059 -0.585 0.000 1.298 390 L HN 0.088 nan 8.230 nan 0.000 0.420 391 T N 1.538 116.110 114.554 0.030 0.000 2.855 391 T HA 0.299 4.652 4.350 0.005 0.000 0.281 391 T C -0.001 174.800 174.700 0.169 0.000 1.007 391 T CA -0.673 61.531 62.100 0.172 0.000 1.009 391 T CB 1.877 70.912 68.868 0.279 0.000 0.983 391 T HN 0.358 nan 8.240 nan 0.000 0.455 392 K N 1.641 122.196 120.400 0.258 0.000 2.436 392 K HA 0.089 4.411 4.320 0.005 0.000 0.275 392 K C 0.762 177.400 176.600 0.062 0.000 0.999 392 K CA -0.126 56.300 56.287 0.232 0.000 0.980 392 K CB 0.303 32.965 32.500 0.269 0.000 0.919 392 K HN 0.526 nan 8.250 nan 0.000 0.484 393 F N 1.481 121.286 119.950 -0.242 0.000 2.065 393 F HA -0.169 4.361 4.527 0.005 0.000 0.298 393 F C 1.085 176.686 175.800 -0.332 0.000 1.112 393 F CA 2.272 59.901 58.000 -0.617 0.000 1.212 393 F CB 0.197 38.835 39.000 -0.602 0.000 0.975 393 F HN 0.668 nan 8.300 nan 0.000 0.476 394 G N -2.457 106.378 108.800 0.058 0.000 2.355 394 G HA2 0.364 4.327 3.960 0.005 0.000 0.296 394 G HA3 0.364 4.327 3.960 0.005 0.000 0.296 394 G C -2.324 172.652 174.900 0.126 0.000 1.507 394 G CA -0.449 44.651 45.100 0.000 0.000 0.823 394 G HN 0.448 nan 8.290 nan 0.000 0.569 395 W N -2.092 119.218 121.300 0.018 0.000 3.031 395 W HA 0.680 5.343 4.660 0.005 0.000 0.337 395 W C -0.550 176.063 176.519 0.156 0.000 1.187 395 W CA -2.011 55.328 57.345 -0.011 0.000 1.166 395 W CB 0.794 30.119 29.460 -0.225 0.000 1.437 395 W HN 0.854 nan 8.180 nan 0.000 0.551 396 W N 2.039 123.400 121.300 0.102 0.000 5.963 396 W HA -0.259 4.404 4.660 0.005 0.000 0.400 396 W C 0.005 176.566 176.519 0.069 0.000 1.530 396 W CA -0.437 56.919 57.345 0.018 0.000 1.004 396 W CB -2.149 27.205 29.460 -0.177 0.000 2.706 396 W HN 0.482 nan 8.180 nan 0.000 1.495 397 M N 0.970 120.714 119.600 0.239 0.000 3.596 397 M HA 0.067 4.550 4.480 0.005 0.000 0.219 397 M C 1.565 177.982 176.300 0.195 0.000 1.471 397 M CA 0.830 56.248 55.300 0.196 0.000 1.644 397 M CB -0.231 32.391 32.600 0.036 0.000 1.083 397 M HN 0.127 nan 8.290 nan 0.000 0.579 398 S N -0.288 115.570 115.700 0.264 0.000 2.439 398 S HA 0.200 4.673 4.470 0.005 0.000 0.224 398 S C 1.044 175.735 174.600 0.152 0.000 1.029 398 S CA -0.092 58.223 58.200 0.190 0.000 0.946 398 S CB 0.157 63.480 63.200 0.206 0.000 0.797 398 S HN 0.594 nan 8.310 nan 0.000 0.504 399 A N 1.801 124.717 122.820 0.161 0.000 2.320 399 A HA 0.732 5.055 4.320 0.005 0.000 0.287 399 A C -0.447 177.235 177.584 0.164 0.000 1.181 399 A CA -0.556 51.553 52.037 0.119 0.000 0.831 399 A CB 0.770 19.807 19.000 0.062 0.000 1.102 399 A HN 0.830 nan 8.150 nan 0.000 0.513 400 V N 4.521 124.522 119.914 0.144 0.000 3.000 400 V HA 0.686 4.809 4.120 0.005 0.000 0.300 400 V C -1.978 174.191 176.094 0.125 0.000 1.251 400 V CA -0.683 61.718 62.300 0.168 0.000 0.972 400 V CB 2.035 33.965 31.823 0.180 0.000 1.065 400 V HN 1.042 nan 8.190 nan 0.000 0.431 401 L N 6.935 128.222 121.223 0.107 0.000 2.516 401 L HA 0.604 4.947 4.340 0.005 0.000 0.267 401 L C -1.382 175.507 176.870 0.033 0.000 0.957 401 L CA -0.382 54.502 54.840 0.072 0.000 0.860 401 L CB 1.944 44.045 42.059 0.071 0.000 1.265 401 L HN 0.773 nan 8.230 nan 0.000 0.403 402 I N 4.389 124.986 120.570 0.045 0.000 2.352 402 I HA 0.099 4.272 4.170 0.005 0.000 0.290 402 I C 0.293 176.427 176.117 0.029 0.000 1.036 402 I CA -0.246 61.070 61.300 0.028 0.000 1.336 402 I CB 1.042 39.068 38.000 0.045 0.000 1.407 402 I HN 0.541 nan 8.210 nan 0.000 0.497 403 D N 10.293 130.706 120.400 0.023 0.000 2.451 403 D HA 0.004 4.647 4.640 0.005 0.000 0.254 403 D C -1.309 175.046 176.300 0.091 0.000 1.204 403 D CA -1.644 52.419 54.000 0.105 0.000 0.896 403 D CB 1.239 42.191 40.800 0.254 0.000 1.136 403 D HN 0.279 nan 8.370 nan 0.000 0.499 404 P HA -0.129 nan 4.420 nan 0.000 0.221 404 P C 0.841 177.950 177.300 -0.319 0.000 1.145 404 P CA 0.950 63.972 63.100 -0.130 0.000 0.795 404 P CB 0.004 31.605 31.700 -0.166 0.000 0.775 405 F N -1.315 118.693 119.950 0.097 0.000 2.664 405 F HA 0.283 4.813 4.527 0.005 0.000 0.303 405 F C 0.815 176.662 175.800 0.078 0.000 1.092 405 F CA -0.042 58.008 58.000 0.083 0.000 1.305 405 F CB 0.078 39.127 39.000 0.081 0.000 1.054 405 F HN -0.114 nan 8.300 nan 0.000 0.565 406 N N -0.067 118.753 118.700 0.200 0.000 2.793 406 N HA 0.194 4.937 4.740 0.005 0.000 0.251 406 N C -2.610 172.984 175.510 0.141 0.000 1.308 406 N CA -1.547 51.601 53.050 0.163 0.000 0.781 406 N CB 1.253 39.843 38.487 0.172 0.000 1.439 406 N HN -0.247 nan 8.380 nan 0.000 0.562 407 P HA 0.015 nan 4.420 nan 0.000 0.230 407 P C 0.665 178.006 177.300 0.069 0.000 1.158 407 P CA 0.789 63.927 63.100 0.062 0.000 0.769 407 P CB 0.531 32.253 31.700 0.036 0.000 0.807 408 E N -1.767 118.485 120.200 0.087 0.000 2.435 408 E HA -0.058 4.295 4.350 0.005 0.000 0.195 408 E C 0.446 177.114 176.600 0.113 0.000 1.029 408 E CA 0.344 56.791 56.400 0.078 0.000 0.865 408 E CB -0.442 29.299 29.700 0.068 0.000 0.833 408 E HN 0.486 nan 8.360 nan 0.000 0.510 409 H N 0.390 119.476 119.070 0.027 0.000 2.640 409 H HA 0.392 4.951 4.556 0.005 0.000 0.297 409 H C -0.951 174.399 175.328 0.037 0.000 1.073 409 H CA -0.393 55.671 56.048 0.026 0.000 1.305 409 H CB 0.306 30.093 29.762 0.041 0.000 1.404 409 H HN -0.020 nan 8.280 nan 0.000 0.459 410 L N 6.125 127.254 121.223 -0.157 0.000 2.365 410 L HA 0.484 4.827 4.340 0.005 0.000 0.273 410 L C -1.502 175.301 176.870 -0.111 0.000 1.000 410 L CA -0.707 54.073 54.840 -0.101 0.000 0.819 410 L CB 1.794 43.916 42.059 0.106 0.000 1.284 410 L HN 0.678 nan 8.230 nan 0.000 0.418 411 M N 5.040 124.588 119.600 -0.086 0.000 2.464 411 M HA 0.477 4.960 4.480 0.005 0.000 0.308 411 M C -1.645 174.748 176.300 0.155 0.000 1.127 411 M CA -0.571 54.712 55.300 -0.030 0.000 0.913 411 M CB 2.112 34.636 32.600 -0.126 0.000 1.689 411 M HN 0.511 nan 8.290 nan 0.000 0.445 412 Y N -0.566 119.794 120.300 0.100 0.000 2.457 412 Y HA 0.897 5.450 4.550 0.005 0.000 0.343 412 Y C -0.147 175.790 175.900 0.062 0.000 0.994 412 Y CA -1.427 56.723 58.100 0.083 0.000 1.031 412 Y CB 0.808 39.325 38.460 0.094 0.000 1.246 412 Y HN 0.741 nan 8.280 nan 0.000 0.449 413 G N 1.202 110.119 108.800 0.196 0.000 2.606 413 G HA2 0.492 4.455 3.960 0.005 0.000 0.252 413 G HA3 0.492 4.455 3.960 0.005 0.000 0.252 413 G C -0.363 174.684 174.900 0.245 0.000 1.206 413 G CA 0.168 45.345 45.100 0.128 0.000 0.861 413 G HN 1.121 nan 8.290 nan 0.000 0.561 414 T N -3.379 111.254 114.554 0.133 0.000 2.618 414 T HA 0.539 4.892 4.350 0.005 0.000 0.286 414 T C 1.273 175.989 174.700 0.027 0.000 1.027 414 T CA 0.221 62.302 62.100 -0.031 0.000 1.063 414 T CB 1.342 70.010 68.868 -0.335 0.000 1.440 414 T HN 0.849 nan 8.240 nan 0.000 0.505 415 G N -0.796 107.753 108.800 -0.417 0.000 2.848 415 G HA2 0.410 4.373 3.960 0.005 0.000 0.208 415 G HA3 0.410 4.373 3.960 0.005 0.000 0.208 415 G C 0.939 175.911 174.900 0.120 0.000 1.152 415 G CA 0.512 45.585 45.100 -0.044 0.000 0.789 415 G HN 1.160 nan 8.290 nan 0.000 0.531 416 A N -1.582 121.224 122.820 -0.024 0.000 2.340 416 A HA 0.600 4.923 4.320 0.005 0.000 0.213 416 A C 0.688 178.374 177.584 0.171 0.000 1.299 416 A CA 1.235 53.405 52.037 0.222 0.000 0.994 416 A CB 0.827 20.076 19.000 0.415 0.000 1.132 416 A HN 0.407 nan 8.150 nan 0.000 0.519 417 T N -1.426 113.130 114.554 0.002 0.000 2.648 417 T HA 0.459 4.812 4.350 0.005 0.000 0.300 417 T C -2.144 172.450 174.700 -0.177 0.000 1.751 417 T CA -0.340 61.699 62.100 -0.102 0.000 0.959 417 T CB 0.432 69.153 68.868 -0.244 0.000 1.888 417 T HN 0.243 nan 8.240 nan 0.000 0.480 418 I N 1.783 122.195 120.570 -0.263 0.000 2.410 418 I HA 0.463 4.636 4.170 0.005 0.000 0.286 418 I C -1.079 174.778 176.117 -0.434 0.000 1.009 418 I CA -0.633 60.511 61.300 -0.261 0.000 1.111 418 I CB 1.568 39.498 38.000 -0.116 0.000 1.262 418 I HN 0.583 nan 8.210 nan 0.000 0.443 419 W N 5.284 126.152 121.300 -0.719 0.000 2.449 419 W HA 0.731 5.394 4.660 0.005 0.000 0.331 419 W C 0.063 176.215 176.519 -0.612 0.000 1.119 419 W CA -0.193 56.660 57.345 -0.821 0.000 1.240 419 W CB 1.810 30.425 29.460 -1.409 0.000 1.251 419 W HN 0.456 nan 8.180 nan 0.000 0.576 420 A N 1.452 124.223 122.820 -0.082 0.000 2.572 420 A HA 0.763 5.085 4.320 0.005 0.000 0.295 420 A C -1.169 176.223 177.584 -0.319 0.000 1.072 420 A CA -0.609 51.304 52.037 -0.205 0.000 0.691 420 A CB 2.008 20.712 19.000 -0.494 0.000 1.291 420 A HN 0.383 nan 8.150 nan 0.000 0.404 421 T N -0.688 113.675 114.554 -0.318 0.000 2.909 421 T HA 0.530 4.883 4.350 0.005 0.000 0.299 421 T C -1.004 173.713 174.700 0.028 0.000 1.073 421 T CA -0.416 61.450 62.100 -0.390 0.000 0.999 421 T CB 1.367 69.567 68.868 -1.113 0.000 1.098 421 T HN 0.442 nan 8.240 nan 0.000 0.477 422 D N 1.926 122.420 120.400 0.155 0.000 2.363 422 D HA 0.159 4.802 4.640 0.005 0.000 0.214 422 D C 0.893 177.222 176.300 0.049 0.000 1.093 422 D CA 0.335 54.427 54.000 0.155 0.000 0.837 422 D CB 0.660 41.543 40.800 0.138 0.000 0.948 422 D HN 0.676 nan 8.370 nan 0.000 0.507 423 T N -1.306 113.225 114.554 -0.038 0.000 3.584 423 T HA 0.154 4.507 4.350 0.005 0.000 0.259 423 T C 1.182 175.844 174.700 -0.063 0.000 1.009 423 T CA -0.427 61.655 62.100 -0.030 0.000 1.103 423 T CB -0.026 68.831 68.868 -0.018 0.000 1.099 423 T HN -0.142 nan 8.240 nan 0.000 0.539 424 L N 1.675 122.861 121.223 -0.061 0.000 2.079 424 L HA 0.077 4.420 4.340 0.005 0.000 0.210 424 L C 2.105 178.981 176.870 0.011 0.000 1.081 424 L CA 1.727 56.539 54.840 -0.047 0.000 0.752 424 L CB -0.640 41.418 42.059 -0.001 0.000 0.896 424 L HN 0.390 nan 8.230 nan 0.000 0.433 425 S N -0.483 115.229 115.700 0.021 0.000 2.660 425 S HA 0.023 4.496 4.470 0.005 0.000 0.223 425 S C 1.747 176.365 174.600 0.030 0.000 0.963 425 S CA -0.140 58.073 58.200 0.022 0.000 0.932 425 S CB -0.409 62.799 63.200 0.013 0.000 0.775 425 S HN 0.403 nan 8.310 nan 0.000 0.531 426 R N 1.118 121.661 120.500 0.071 0.000 2.133 426 R HA -0.129 4.214 4.340 0.005 0.000 0.247 426 R C 2.291 178.658 176.300 0.112 0.000 1.151 426 R CA 1.746 57.938 56.100 0.154 0.000 0.971 426 R CB -1.302 29.121 30.300 0.205 0.000 0.866 426 R HN 0.573 nan 8.270 nan 0.000 0.447 427 V N -0.715 119.246 119.914 0.078 0.000 2.867 427 V HA -0.112 4.011 4.120 0.005 0.000 0.260 427 V C 1.739 177.829 176.094 -0.007 0.000 1.099 427 V CA 1.461 63.795 62.300 0.057 0.000 1.122 427 V CB -0.332 31.529 31.823 0.064 0.000 0.708 427 V HN 0.025 nan 8.190 nan 0.000 0.490 428 E N 1.313 121.487 120.200 -0.043 0.000 2.204 428 E HA -0.076 4.277 4.350 0.005 0.000 0.194 428 E C 1.800 178.295 176.600 -0.176 0.000 0.989 428 E CA 1.095 57.441 56.400 -0.090 0.000 0.824 428 E CB -0.186 29.462 29.700 -0.087 0.000 0.756 428 E HN 0.674 nan 8.360 nan 0.000 0.477 429 K N 0.849 121.070 120.400 -0.298 0.000 2.437 429 K HA 0.026 4.349 4.320 0.005 0.000 0.205 429 K C -0.485 175.866 176.600 -0.414 0.000 1.026 429 K CA -0.084 55.868 56.287 -0.559 0.000 1.153 429 K CB 0.596 32.322 32.500 -1.290 0.000 0.863 429 K HN -0.040 nan 8.250 nan 0.000 0.502 430 D N 0.185 120.507 120.400 -0.130 0.000 2.837 430 D HA -0.188 4.455 4.640 0.005 0.000 0.230 430 D C -0.553 175.894 176.300 0.245 0.000 1.152 430 D CA 1.061 55.081 54.000 0.033 0.000 0.736 430 D CB -0.674 40.144 40.800 0.031 0.000 1.084 430 D HN 0.239 nan 8.370 nan 0.000 0.429 431 W N 0.431 121.739 121.300 0.014 0.000 2.481 431 W HA 0.692 5.355 4.660 0.005 0.000 0.369 431 W C 0.414 176.953 176.519 0.032 0.000 1.235 431 W CA -1.172 56.185 57.345 0.021 0.000 1.344 431 W CB 0.487 29.957 29.460 0.017 0.000 1.360 431 W HN -0.053 nan 8.180 nan 0.000 0.658 432 A N 2.870 125.841 122.820 0.251 0.000 2.274 432 A HA 0.669 4.992 4.320 0.005 0.000 0.309 432 A C -2.374 175.291 177.584 0.134 0.000 1.226 432 A CA -1.473 50.676 52.037 0.187 0.000 0.853 432 A CB -0.046 19.054 19.000 0.168 0.000 1.146 432 A HN 0.211 nan 8.150 nan 0.000 0.518 433 P HA 0.161 nan 4.420 nan 0.000 0.269 433 P C -0.214 176.962 177.300 -0.206 0.000 1.209 433 P CA 0.136 63.146 63.100 -0.149 0.000 0.776 433 P CB 0.706 32.159 31.700 -0.411 0.000 0.876 434 S N 1.729 117.325 115.700 -0.173 0.000 2.545 434 S HA 0.325 4.798 4.470 0.005 0.000 0.275 434 S C -0.670 173.853 174.600 -0.128 0.000 1.299 434 S CA -0.204 57.970 58.200 -0.043 0.000 1.048 434 S CB -0.002 63.222 63.200 0.041 0.000 0.938 434 S HN 0.354 nan 8.310 nan 0.000 0.496 435 W N 1.940 123.334 121.300 0.155 0.000 2.719 435 W HA 0.667 5.330 4.660 0.005 0.000 0.352 435 W C -0.488 176.181 176.519 0.249 0.000 1.085 435 W CA -0.725 56.684 57.345 0.106 0.000 1.187 435 W CB 0.963 30.345 29.460 -0.131 0.000 1.417 435 W HN 0.760 nan 8.180 nan 0.000 0.557 436 Y N -1.514 119.036 120.300 0.416 0.000 2.705 436 Y HA 0.754 5.307 4.550 0.005 0.000 0.332 436 Y C -1.678 174.240 175.900 0.031 0.000 1.221 436 Y CA -2.116 56.097 58.100 0.188 0.000 1.059 436 Y CB 0.760 39.289 38.460 0.116 0.000 1.298 436 Y HN 0.215 nan 8.280 nan 0.000 0.459 437 L N 2.320 123.542 121.223 -0.003 0.000 2.280 437 L HA 0.446 4.789 4.340 0.005 0.000 0.287 437 L C -0.111 176.786 176.870 0.044 0.000 1.023 437 L CA -0.495 54.191 54.840 -0.257 0.000 0.819 437 L CB 1.696 43.529 42.059 -0.376 0.000 1.212 437 L HN 0.743 nan 8.230 nan 0.000 0.420 438 Q N 3.292 123.077 119.800 -0.025 0.000 3.135 438 Q HA 0.218 4.561 4.340 0.005 0.000 0.344 438 Q C 0.259 176.406 176.000 0.244 0.000 1.321 438 Q CA 0.007 55.882 55.803 0.120 0.000 1.050 438 Q CB 0.405 29.158 28.738 0.025 0.000 1.498 438 Q HN 0.755 nan 8.270 nan 0.000 0.503 439 I N -0.263 120.389 120.570 0.136 0.000 4.338 439 I HA 0.156 4.329 4.170 0.005 0.000 0.329 439 I C -0.311 175.859 176.117 0.089 0.000 1.378 439 I CA -0.137 61.258 61.300 0.158 0.000 1.170 439 I CB 0.835 38.841 38.000 0.009 0.000 1.206 439 I HN 0.247 nan 8.210 nan 0.000 0.432 440 D N 1.172 121.425 120.400 -0.246 0.000 2.502 440 D HA 0.324 4.967 4.640 0.005 0.000 0.249 440 D C 1.205 177.513 176.300 0.013 0.000 1.188 440 D CA 1.794 55.516 54.000 -0.464 0.000 0.890 440 D CB 0.460 40.784 40.800 -0.794 0.000 1.140 440 D HN 0.531 nan 8.370 nan 0.000 0.505 441 G N 3.677 112.524 108.800 0.079 0.000 2.436 441 G HA2 -0.211 3.752 3.960 0.005 0.000 0.204 441 G HA3 -0.211 3.752 3.960 0.005 0.000 0.204 441 G C 0.612 175.647 174.900 0.224 0.000 1.026 441 G CA -0.145 45.071 45.100 0.194 0.000 0.658 441 G HN 0.546 nan 8.290 nan 0.000 0.499 442 I N 2.401 122.982 120.570 0.019 0.000 2.533 442 I HA 0.324 4.497 4.170 0.005 0.000 0.284 442 I C -0.354 175.768 176.117 0.008 0.000 1.109 442 I CA 0.360 61.466 61.300 -0.324 0.000 1.412 442 I CB 0.792 38.360 38.000 -0.721 0.000 1.396 442 I HN 0.054 nan 8.210 nan 0.000 0.543 443 E N 6.899 127.186 120.200 0.146 0.000 2.255 443 E HA 0.220 4.573 4.350 0.005 0.000 0.256 443 E C -0.308 176.385 176.600 0.155 0.000 0.887 443 E CA -0.191 56.296 56.400 0.145 0.000 0.782 443 E CB 2.026 31.820 29.700 0.157 0.000 1.214 443 E HN 0.572 nan 8.360 nan 0.000 0.417 444 E N 2.005 122.264 120.200 0.099 0.000 2.583 444 E HA 0.104 4.457 4.350 0.005 0.000 0.213 444 E C -0.422 176.223 176.600 0.074 0.000 0.989 444 E CA -0.143 56.319 56.400 0.103 0.000 0.991 444 E CB 0.511 30.263 29.700 0.086 0.000 1.040 444 E HN 0.416 nan 8.360 nan 0.000 0.481 445 N N 0.392 119.116 118.700 0.040 0.000 2.444 445 N HA 0.204 4.947 4.740 0.005 0.000 0.255 445 N C -0.643 174.882 175.510 0.025 0.000 1.255 445 N CA 0.104 53.161 53.050 0.012 0.000 0.933 445 N CB 1.089 39.545 38.487 -0.051 0.000 1.143 445 N HN 0.017 nan 8.380 nan 0.000 0.453 446 A N 1.931 124.769 122.820 0.031 0.000 2.258 446 A HA 0.426 4.749 4.320 0.005 0.000 0.316 446 A C -0.710 176.889 177.584 0.024 0.000 1.279 446 A CA -0.626 51.433 52.037 0.037 0.000 0.876 446 A CB 0.107 19.145 19.000 0.063 0.000 1.170 446 A HN 0.482 nan 8.150 nan 0.000 0.520 447 I N 4.130 124.708 120.570 0.013 0.000 2.342 447 I HA 0.187 4.360 4.170 0.005 0.000 0.291 447 I C 0.760 176.889 176.117 0.020 0.000 1.010 447 I CA 0.027 61.332 61.300 0.008 0.000 1.308 447 I CB 1.041 39.035 38.000 -0.010 0.000 1.400 447 I HN 0.698 nan 8.210 nan 0.000 0.488 448 L N 3.360 124.602 121.223 0.031 0.000 2.425 448 L HA 0.204 4.547 4.340 0.005 0.000 0.215 448 L C 0.862 177.759 176.870 0.044 0.000 1.065 448 L CA 0.556 55.420 54.840 0.040 0.000 0.842 448 L CB 0.209 42.296 42.059 0.046 0.000 1.033 448 L HN 0.624 nan 8.230 nan 0.000 0.474 449 S N -0.289 115.439 115.700 0.045 0.000 2.550 449 S HA 0.715 5.188 4.470 0.005 0.000 0.270 449 S C -1.486 173.137 174.600 0.038 0.000 1.145 449 S CA -0.505 57.726 58.200 0.051 0.000 0.852 449 S CB 1.489 64.729 63.200 0.067 0.000 1.119 449 S HN 0.033 nan 8.310 nan 0.000 0.465 450 L N 2.878 124.119 121.223 0.030 0.000 2.470 450 L HA 0.648 4.991 4.340 0.005 0.000 0.268 450 L C -0.764 176.112 176.870 0.010 0.000 0.964 450 L CA -0.732 54.104 54.840 -0.008 0.000 0.839 450 L CB 2.301 44.337 42.059 -0.038 0.000 1.276 450 L HN 0.641 nan 8.230 nan 0.000 0.403 451 R N 1.555 122.055 120.500 0.000 0.000 2.483 451 R HA 0.422 4.765 4.340 0.005 0.000 0.303 451 R C -1.022 175.259 176.300 -0.032 0.000 0.987 451 R CA -0.148 55.961 56.100 0.015 0.000 0.881 451 R CB 2.000 32.335 30.300 0.059 0.000 1.177 451 R HN 0.515 nan 8.270 nan 0.000 0.451 452 S N 6.827 122.511 115.700 -0.026 0.000 2.404 452 S HA 0.455 4.928 4.470 0.005 0.000 0.309 452 S C -2.186 172.428 174.600 0.023 0.000 1.076 452 S CA -1.664 56.526 58.200 -0.018 0.000 1.095 452 S CB 0.590 63.838 63.200 0.079 0.000 0.972 452 S HN 0.522 nan 8.310 nan 0.000 0.484 453 P HA 0.194 nan 4.420 nan 0.000 0.272 453 P C -0.005 177.308 177.300 0.021 0.000 1.230 453 P CA -0.308 62.805 63.100 0.021 0.000 0.788 453 P CB 0.683 32.407 31.700 0.040 0.000 0.949 454 K N -0.005 120.372 120.400 -0.038 0.000 2.288 454 K HA 0.039 4.362 4.320 0.005 0.000 0.201 454 K C 0.993 177.672 176.600 0.133 0.000 1.048 454 K CA 0.846 57.101 56.287 -0.053 0.000 0.956 454 K CB 0.014 32.291 32.500 -0.372 0.000 0.746 454 K HN 0.620 nan 8.250 nan 0.000 0.461 455 S N -1.552 114.205 115.700 0.096 0.000 2.579 455 S HA 0.726 5.199 4.470 0.005 0.000 0.272 455 S C 0.205 174.854 174.600 0.081 0.000 1.141 455 S CA -0.372 57.897 58.200 0.115 0.000 0.843 455 S CB 2.110 65.382 63.200 0.119 0.000 1.122 455 S HN 0.327 nan 8.310 nan 0.000 0.468 456 G N 1.398 110.244 108.800 0.076 0.000 2.662 456 G HA2 0.337 4.300 3.960 0.005 0.000 0.236 456 G HA3 0.337 4.300 3.960 0.005 0.000 0.236 456 G C 0.285 175.220 174.900 0.059 0.000 1.212 456 G CA 0.013 45.148 45.100 0.059 0.000 0.968 456 G HN 2.070 nan 8.290 nan 0.000 0.576 457 A N 0.443 123.296 122.820 0.055 0.000 2.425 457 A HA 0.786 5.109 4.320 0.005 0.000 0.242 457 A C 1.856 179.472 177.584 0.054 0.000 1.077 457 A CA 1.215 53.284 52.037 0.055 0.000 0.781 457 A CB 0.527 19.566 19.000 0.065 0.000 1.020 457 A HN 2.432 nan 8.150 nan 0.000 0.494 458 A N 1.269 124.117 122.820 0.047 0.000 1.883 458 A HA 0.207 4.530 4.320 0.005 0.000 0.217 458 A C 0.773 178.334 177.584 -0.038 0.000 1.186 458 A CA 2.075 54.138 52.037 0.043 0.000 0.624 458 A CB -0.430 18.591 19.000 0.036 0.000 0.822 458 A HN 1.483 nan 8.150 nan 0.000 0.444 459 L N -1.925 119.243 121.223 -0.092 0.000 2.466 459 L HA 0.624 4.967 4.340 0.005 0.000 0.258 459 L C -1.600 175.277 176.870 0.011 0.000 0.973 459 L CA -0.414 54.286 54.840 -0.234 0.000 0.826 459 L CB 1.940 43.593 42.059 -0.677 0.000 1.372 459 L HN 0.212 nan 8.230 nan 0.000 0.409 460 L N 3.274 124.519 121.223 0.037 0.000 2.341 460 L HA 0.761 5.104 4.340 0.005 0.000 0.278 460 L C -0.373 176.594 176.870 0.162 0.000 1.005 460 L CA -0.477 54.495 54.840 0.220 0.000 0.818 460 L CB 2.005 44.218 42.059 0.257 0.000 1.259 460 L HN 0.748 nan 8.230 nan 0.000 0.418 461 S N 0.906 116.754 115.700 0.248 0.000 2.532 461 S HA 0.882 5.355 4.470 0.005 0.000 0.301 461 S C -0.285 174.437 174.600 0.204 0.000 1.083 461 S CA -0.707 57.579 58.200 0.143 0.000 1.025 461 S CB 2.084 65.354 63.200 0.118 0.000 1.056 461 S HN 0.730 nan 8.310 nan 0.000 0.494 462 G N 1.452 110.327 108.800 0.125 0.000 2.644 462 G HA2 0.663 4.626 3.960 0.005 0.000 0.300 462 G HA3 0.663 4.626 3.960 0.005 0.000 0.300 462 G C -0.974 173.971 174.900 0.075 0.000 1.395 462 G CA -0.752 44.426 45.100 0.130 0.000 0.964 462 G HN 0.763 nan 8.290 nan 0.000 0.511 463 I N 1.383 121.994 120.570 0.070 0.000 2.689 463 I HA 0.511 4.684 4.170 0.005 0.000 0.299 463 I C 0.837 176.986 176.117 0.052 0.000 1.059 463 I CA -1.225 60.093 61.300 0.029 0.000 1.055 463 I CB 2.501 40.478 38.000 -0.039 0.000 1.243 463 I HN 0.528 nan 8.210 nan 0.000 0.425 464 G N 1.601 110.431 108.800 0.050 0.000 2.406 464 G HA2 0.304 4.267 3.960 0.005 0.000 0.251 464 G HA3 0.304 4.267 3.960 0.005 0.000 0.251 464 G C 0.059 175.015 174.900 0.094 0.000 1.271 464 G CA 0.195 45.340 45.100 0.076 0.000 0.859 464 G HN 0.900 nan 8.290 nan 0.000 0.540 465 D N -0.496 119.988 120.400 0.139 0.000 2.884 465 D HA -0.269 4.374 4.640 0.005 0.000 0.186 465 D C 1.598 178.088 176.300 0.316 0.000 1.520 465 D CA 2.167 56.295 54.000 0.214 0.000 1.997 465 D CB -1.000 39.917 40.800 0.196 0.000 1.362 465 D HN 0.790 nan 8.370 nan 0.000 0.474 466 I N -2.874 117.789 120.570 0.155 0.000 3.856 466 I HA 0.508 4.681 4.170 0.005 0.000 0.330 466 I C 1.138 177.249 176.117 -0.011 0.000 1.546 466 I CA 0.669 61.987 61.300 0.030 0.000 1.132 466 I CB 1.310 39.102 38.000 -0.347 0.000 1.157 466 I HN 0.140 nan 8.210 nan 0.000 0.440 467 S N 1.350 117.126 115.700 0.126 0.000 4.157 467 S HA -0.166 4.307 4.470 0.005 0.000 0.552 467 S C 0.585 175.259 174.600 0.123 0.000 1.867 467 S CA 1.572 59.882 58.200 0.183 0.000 4.248 467 S CB -1.627 61.686 63.200 0.188 0.000 0.222 467 S HN 1.493 nan 8.310 nan 0.000 0.457 468 G N 0.107 108.931 108.800 0.040 0.000 2.441 468 G HA2 0.582 4.545 3.960 0.005 0.000 0.294 468 G HA3 0.582 4.545 3.960 0.005 0.000 0.294 468 G C -1.678 172.818 174.900 -0.673 0.000 1.393 468 G CA -0.118 44.943 45.100 -0.065 0.000 0.796 468 G HN 0.827 nan 8.290 nan 0.000 0.494 469 M N -0.232 118.849 119.600 -0.864 0.000 2.618 469 M HA 0.534 5.017 4.480 0.005 0.000 0.281 469 M C -0.487 175.252 176.300 -0.935 0.000 1.267 469 M CA -0.643 53.942 55.300 -1.191 0.000 0.845 469 M CB 2.838 34.898 32.600 -0.900 0.000 1.732 469 M HN 0.394 nan 8.290 nan 0.000 0.461 470 K N 1.388 121.392 120.400 -0.661 0.000 2.299 470 K HA 0.278 4.601 4.320 0.005 0.000 0.268 470 K C -1.112 175.362 176.600 -0.210 0.000 1.075 470 K CA -0.300 55.911 56.287 -0.127 0.000 0.936 470 K CB 0.384 32.938 32.500 0.090 0.000 1.228 470 K HN 0.694 nan 8.250 nan 0.000 0.454 471 H N 4.433 123.458 119.070 -0.076 0.000 3.008 471 H HA 0.027 4.586 4.556 0.005 0.000 0.268 471 H C -0.208 175.091 175.328 -0.048 0.000 1.323 471 H CA -0.248 55.754 56.048 -0.077 0.000 1.401 471 H CB 0.758 30.451 29.762 -0.114 0.000 1.556 471 H HN 0.657 nan 8.280 nan 0.000 0.502 472 D N 0.950 121.373 120.400 0.039 0.000 2.277 472 D HA -0.079 4.564 4.640 0.005 0.000 0.208 472 D C 0.291 176.614 176.300 0.038 0.000 0.962 472 D CA 1.209 55.230 54.000 0.035 0.000 0.865 472 D CB 0.611 41.422 40.800 0.018 0.000 0.939 472 D HN 0.463 nan 8.370 nan 0.000 0.510 473 D N 0.081 120.509 120.400 0.046 0.000 2.476 473 D HA 0.149 4.792 4.640 0.005 0.000 0.251 473 D C 0.958 177.305 176.300 0.078 0.000 1.291 473 D CA -0.397 53.632 54.000 0.049 0.000 0.939 473 D CB 1.371 42.194 40.800 0.038 0.000 1.221 473 D HN -0.130 nan 8.370 nan 0.000 0.567 474 L N 2.226 123.475 121.223 0.043 0.000 2.465 474 L HA -0.015 4.328 4.340 0.005 0.000 0.224 474 L C 2.170 179.121 176.870 0.136 0.000 1.145 474 L CA 1.198 56.057 54.840 0.032 0.000 0.834 474 L CB -0.261 41.664 42.059 -0.223 0.000 0.944 474 L HN 0.458 nan 8.230 nan 0.000 0.451 475 T N -4.385 110.250 114.554 0.135 0.000 3.081 475 T HA 0.118 4.471 4.350 0.005 0.000 0.250 475 T C 0.745 175.532 174.700 0.144 0.000 1.100 475 T CA -0.056 62.141 62.100 0.162 0.000 1.038 475 T CB 0.247 69.198 68.868 0.139 0.000 0.962 475 T HN -0.047 nan 8.240 nan 0.000 0.516 476 K N 1.822 122.290 120.400 0.114 0.000 2.426 476 K HA 0.496 4.819 4.320 0.005 0.000 0.251 476 K C -3.256 173.388 176.600 0.074 0.000 0.941 476 K CA -2.568 53.761 56.287 0.071 0.000 0.808 476 K CB 1.890 34.403 32.500 0.021 0.000 1.265 476 K HN -0.066 nan 8.250 nan 0.000 0.432 477 P HA 0.011 nan 4.420 nan 0.000 0.264 477 P C -0.363 176.962 177.300 0.042 0.000 1.183 477 P CA 0.216 63.373 63.100 0.095 0.000 0.763 477 P CB 0.578 32.301 31.700 0.038 0.000 0.807 478 Q N 1.891 121.718 119.800 0.046 0.000 2.194 478 Q HA 0.379 4.722 4.340 0.005 0.000 0.245 478 Q C 0.105 176.099 176.000 -0.011 0.000 0.993 478 Q CA -0.766 54.992 55.803 -0.074 0.000 0.930 478 Q CB 1.122 29.679 28.738 -0.302 0.000 1.238 478 Q HN 0.340 nan 8.270 nan 0.000 0.486 479 K N 0.740 121.090 120.400 -0.084 0.000 2.185 479 K HA 0.262 4.585 4.320 0.005 0.000 0.271 479 K C 0.230 176.748 176.600 -0.137 0.000 1.013 479 K CA -0.246 56.008 56.287 -0.055 0.000 0.943 479 K CB 0.863 33.335 32.500 -0.047 0.000 0.998 479 K HN 0.512 nan 8.250 nan 0.000 0.468 480 M N 2.630 122.191 119.600 -0.066 0.000 2.243 480 M HA 0.124 4.606 4.480 0.005 0.000 0.341 480 M C -0.761 175.474 176.300 -0.107 0.000 1.130 480 M CA -0.256 54.960 55.300 -0.140 0.000 1.162 480 M CB 0.360 32.936 32.600 -0.040 0.000 1.497 480 M HN 0.273 nan 8.290 nan 0.000 0.456 481 F N 2.794 122.707 119.950 -0.062 0.000 2.607 481 F HA 0.211 4.741 4.527 0.005 0.000 0.374 481 F C 1.373 177.090 175.800 -0.139 0.000 1.104 481 F CA 0.601 58.545 58.000 -0.093 0.000 1.296 481 F CB -0.277 38.529 39.000 -0.323 0.000 1.085 481 F HN 0.709 nan 8.300 nan 0.000 0.584 482 G N 1.500 110.397 108.800 0.160 0.000 2.447 482 G HA2 0.400 4.363 3.960 0.005 0.000 0.269 482 G HA3 0.400 4.363 3.960 0.005 0.000 0.269 482 G C -0.440 174.383 174.900 -0.129 0.000 1.455 482 G CA -0.242 44.892 45.100 0.056 0.000 1.061 482 G HN 0.912 nan 8.290 nan 0.000 0.545 483 A N 0.650 123.412 122.820 -0.096 0.000 2.498 483 A HA 0.514 4.837 4.320 0.005 0.000 0.239 483 A C -1.783 175.537 177.584 -0.439 0.000 1.068 483 A CA -0.692 51.217 52.037 -0.214 0.000 0.766 483 A CB -0.097 18.810 19.000 -0.155 0.000 1.003 483 A HN 0.465 nan 8.150 nan 0.000 0.497 484 P HA 0.170 nan 4.420 nan 0.000 0.275 484 P C -0.737 176.391 177.300 -0.287 0.000 1.227 484 P CA -0.300 62.525 63.100 -0.457 0.000 0.781 484 P CB 0.553 32.047 31.700 -0.343 0.000 0.906 485 Q N 2.570 122.460 119.800 0.151 0.000 2.286 485 Q HA 0.207 4.550 4.340 0.005 0.000 0.265 485 Q C -1.182 175.046 176.000 0.379 0.000 1.080 485 Q CA 0.465 56.407 55.803 0.230 0.000 0.906 485 Q CB -0.667 28.306 28.738 0.393 0.000 1.227 485 Q HN 0.332 nan 8.270 nan 0.000 0.409 486 F N 1.863 121.889 119.950 0.125 0.000 2.399 486 F HA 0.185 4.715 4.527 0.005 0.000 0.334 486 F C 1.590 177.445 175.800 0.091 0.000 1.097 486 F CA -0.628 57.426 58.000 0.090 0.000 1.076 486 F CB 1.622 40.636 39.000 0.023 0.000 1.162 486 F HN 0.796 nan 8.300 nan 0.000 0.495 487 S N 1.899 117.737 115.700 0.230 0.000 2.317 487 S HA -0.008 4.465 4.470 0.005 0.000 0.212 487 S C 0.389 175.098 174.600 0.181 0.000 1.030 487 S CA 0.458 58.709 58.200 0.085 0.000 0.970 487 S CB -0.172 63.038 63.200 0.016 0.000 0.928 487 S HN 0.547 nan 8.310 nan 0.000 0.451 488 N N 1.138 119.904 118.700 0.110 0.000 2.443 488 N HA 0.514 5.257 4.740 0.005 0.000 0.295 488 N C -1.524 173.996 175.510 0.017 0.000 1.076 488 N CA -0.425 52.669 53.050 0.073 0.000 0.919 488 N CB 1.657 40.166 38.487 0.037 0.000 1.176 488 N HN 0.408 nan 8.380 nan 0.000 0.487 489 L N 2.035 123.312 121.223 0.090 0.000 2.295 489 L HA 0.356 4.699 4.340 0.005 0.000 0.281 489 L C 0.178 177.074 176.870 0.043 0.000 1.018 489 L CA -0.372 54.535 54.840 0.111 0.000 0.841 489 L CB 0.671 42.908 42.059 0.296 0.000 1.218 489 L HN 0.445 nan 8.230 nan 0.000 0.424 490 D N 1.587 121.969 120.400 -0.031 0.000 2.213 490 D HA 0.028 4.671 4.640 0.005 0.000 0.205 490 D C 0.208 176.532 176.300 0.039 0.000 0.961 490 D CA 0.721 54.726 54.000 0.009 0.000 0.853 490 D CB 0.683 41.486 40.800 0.004 0.000 0.967 490 D HN 0.372 nan 8.370 nan 0.000 0.496 491 S N -0.482 115.238 115.700 0.033 0.000 2.562 491 S HA 0.554 5.027 4.470 0.005 0.000 0.274 491 S C -1.658 172.963 174.600 0.034 0.000 1.160 491 S CA -0.749 57.478 58.200 0.044 0.000 0.933 491 S CB 1.033 64.260 63.200 0.046 0.000 1.100 491 S HN 0.091 nan 8.310 nan 0.000 0.468 492 I N 3.315 123.921 120.570 0.060 0.000 2.619 492 I HA 0.692 4.865 4.170 0.005 0.000 0.292 492 I C -1.692 174.479 176.117 0.090 0.000 1.100 492 I CA -0.229 61.112 61.300 0.069 0.000 1.043 492 I CB 1.985 40.042 38.000 0.094 0.000 1.239 492 I HN 0.694 nan 8.210 nan 0.000 0.420 493 D N 5.008 125.471 120.400 0.105 0.000 2.552 493 D HA 0.839 5.482 4.640 0.005 0.000 0.239 493 D C -1.659 174.712 176.300 0.118 0.000 1.139 493 D CA -0.359 53.710 54.000 0.115 0.000 0.914 493 D CB 2.522 43.404 40.800 0.137 0.000 1.461 493 D HN 0.717 nan 8.370 nan 0.000 0.462 494 A N 0.743 123.621 122.820 0.097 0.000 2.422 494 A HA 0.761 5.084 4.320 0.005 0.000 0.302 494 A C -0.523 177.103 177.584 0.069 0.000 1.041 494 A CA -0.310 51.777 52.037 0.084 0.000 0.708 494 A CB 1.338 20.375 19.000 0.061 0.000 1.257 494 A HN 0.704 nan 8.150 nan 0.000 0.414 495 A N 1.110 123.982 122.820 0.086 0.000 2.511 495 A HA 0.460 4.783 4.320 0.005 0.000 0.242 495 A C 1.454 179.044 177.584 0.010 0.000 1.069 495 A CA 0.446 52.528 52.037 0.076 0.000 0.763 495 A CB -0.086 19.002 19.000 0.146 0.000 1.001 495 A HN 1.856 nan 8.150 nan 0.000 0.498 496 G N 1.021 109.796 108.800 -0.041 0.000 2.402 496 G HA2 -0.171 3.792 3.960 0.005 0.000 0.216 496 G HA3 -0.171 3.792 3.960 0.005 0.000 0.216 496 G C 0.975 175.768 174.900 -0.178 0.000 1.162 496 G CA 0.927 45.956 45.100 -0.119 0.000 0.777 496 G HN 0.720 nan 8.290 nan 0.000 0.539 497 N N -0.293 118.271 118.700 -0.228 0.000 2.325 497 N HA 0.142 4.885 4.740 0.005 0.000 0.182 497 N C -0.528 174.479 175.510 -0.838 0.000 1.088 497 N CA 0.127 52.879 53.050 -0.497 0.000 0.879 497 N CB 0.403 38.533 38.487 -0.595 0.000 0.983 497 N HN 0.305 nan 8.380 nan 0.000 0.471 498 F N -0.106 119.852 119.950 0.013 0.000 2.769 498 F HA 0.371 4.901 4.527 0.005 0.000 0.358 498 F C -1.938 173.870 175.800 0.012 0.000 1.285 498 F CA -1.646 56.365 58.000 0.018 0.000 1.199 498 F CB 2.175 41.188 39.000 0.020 0.000 1.558 498 F HN -0.191 nan 8.300 nan 0.000 0.583 499 P HA -0.127 nan 4.420 nan 0.000 0.231 499 P C 1.286 178.626 177.300 0.067 0.000 1.158 499 P CA 0.947 64.087 63.100 0.066 0.000 0.763 499 P CB 0.074 31.794 31.700 0.033 0.000 0.805 500 N N -0.347 118.403 118.700 0.083 0.000 2.381 500 N HA -0.066 4.677 4.740 0.005 0.000 0.182 500 N C 0.157 175.670 175.510 0.005 0.000 1.025 500 N CA 0.673 53.741 53.050 0.031 0.000 0.888 500 N CB -0.831 37.677 38.487 0.035 0.000 0.965 500 N HN 0.008 nan 8.380 nan 0.000 0.438 501 V N 2.284 122.239 119.914 0.069 0.000 2.405 501 V HA 0.192 4.315 4.120 0.005 0.000 0.264 501 V C 0.102 176.243 176.094 0.078 0.000 1.048 501 V CA -0.457 61.887 62.300 0.074 0.000 0.966 501 V CB 0.948 32.854 31.823 0.139 0.000 1.015 501 V HN -0.036 nan 8.190 nan 0.000 0.477 502 V N 5.895 125.831 119.914 0.036 0.000 2.604 502 V HA 0.654 4.777 4.120 0.005 0.000 0.305 502 V C -0.176 176.049 176.094 0.219 0.000 1.043 502 V CA -0.699 61.652 62.300 0.086 0.000 0.888 502 V CB 2.166 33.992 31.823 0.005 0.000 0.995 502 V HN 0.707 nan 8.190 nan 0.000 0.429 503 V N 2.739 122.803 119.914 0.251 0.000 2.680 503 V HA 0.931 5.054 4.120 0.005 0.000 0.309 503 V C -0.600 175.578 176.094 0.139 0.000 1.052 503 V CA -0.851 61.612 62.300 0.271 0.000 0.908 503 V CB 1.761 33.751 31.823 0.279 0.000 1.001 503 V HN 1.082 nan 8.190 nan 0.000 0.431 504 R N 2.953 123.466 120.500 0.020 0.000 2.740 504 R HA 0.974 5.317 4.340 0.005 0.000 0.273 504 R C -1.038 175.222 176.300 -0.067 0.000 0.998 504 R CA -0.558 55.494 56.100 -0.080 0.000 0.900 504 R CB 2.277 32.413 30.300 -0.273 0.000 1.223 504 R HN 1.336 nan 8.270 nan 0.000 0.466 505 A N 0.832 123.627 122.820 -0.042 0.000 2.449 505 A HA 0.912 5.235 4.320 0.005 0.000 0.302 505 A C -0.690 176.728 177.584 -0.277 0.000 1.048 505 A CA -0.253 51.721 52.037 -0.105 0.000 0.708 505 A CB 2.005 20.918 19.000 -0.146 0.000 1.274 505 A HN 1.085 nan 8.150 nan 0.000 0.410 506 G N -0.218 108.135 108.800 -0.746 0.000 2.650 506 G HA2 0.636 4.599 3.960 0.005 0.000 0.310 506 G HA3 0.636 4.599 3.960 0.005 0.000 0.310 506 G C -0.884 173.547 174.900 -0.782 0.000 1.270 506 G CA 0.141 44.580 45.100 -1.101 0.000 0.810 506 G HN 1.331 nan 8.290 nan 0.000 0.493 507 S N -0.870 114.478 115.700 -0.587 0.000 2.537 507 S HA 0.827 5.300 4.470 0.005 0.000 0.301 507 S C -0.496 173.985 174.600 -0.198 0.000 1.092 507 S CA -0.655 57.386 58.200 -0.263 0.000 1.048 507 S CB 1.716 64.875 63.200 -0.069 0.000 1.053 507 S HN 1.285 nan 8.310 nan 0.000 0.501 508 S N 0.243 115.797 115.700 -0.244 0.000 2.562 508 S HA 0.580 5.053 4.470 0.005 0.000 0.274 508 S C 0.233 174.299 174.600 -0.891 0.000 1.160 508 S CA -0.379 57.513 58.200 -0.512 0.000 0.933 508 S CB 0.957 64.080 63.200 -0.129 0.000 1.100 508 S HN 1.033 nan 8.310 nan 0.000 0.468 509 G N 2.087 109.654 108.800 -2.055 0.000 3.337 509 G HA2 0.213 4.176 3.960 0.005 0.000 0.246 509 G HA3 0.213 4.176 3.960 0.005 0.000 0.246 509 G C 0.085 174.360 174.900 -1.041 0.000 1.131 509 G CA -0.038 44.119 45.100 -1.571 0.000 0.773 509 G HN 0.750 nan 8.290 nan 0.000 0.544 510 H N 0.734 119.173 119.070 -1.052 0.000 2.483 510 H HA 0.562 5.121 4.556 0.005 0.000 0.338 510 H C -0.502 174.584 175.328 -0.402 0.000 1.152 510 H CA -0.414 55.327 56.048 -0.512 0.000 1.264 510 H CB 1.175 30.695 29.762 -0.402 0.000 1.510 510 H HN -0.051 nan 8.280 nan 0.000 0.530 511 E N 3.237 122.876 120.200 -0.935 0.000 2.212 511 E HA 0.185 4.538 4.350 0.005 0.000 0.268 511 E C -1.092 175.071 176.600 -0.729 0.000 0.902 511 E CA -0.599 55.457 56.400 -0.573 0.000 0.779 511 E CB 1.820 31.314 29.700 -0.344 0.000 1.172 511 E HN 0.541 nan 8.360 nan 0.000 0.409 512 Y N 0.559 120.761 120.300 -0.163 0.000 2.409 512 Y HA 0.149 4.702 4.550 0.005 0.000 0.339 512 Y C 0.281 176.160 175.900 -0.036 0.000 1.033 512 Y CA -0.949 57.125 58.100 -0.043 0.000 1.094 512 Y CB 1.209 39.693 38.460 0.039 0.000 1.210 512 Y HN 0.251 nan 8.280 nan 0.000 0.456 513 D N 1.825 122.304 120.400 0.131 0.000 2.451 513 D HA -0.016 4.627 4.640 0.005 0.000 0.254 513 D C 0.285 176.634 176.300 0.082 0.000 1.204 513 D CA 0.648 54.692 54.000 0.073 0.000 0.896 513 D CB 0.686 41.524 40.800 0.062 0.000 1.136 513 D HN 0.678 nan 8.370 nan 0.000 0.499 514 S N -0.507 115.228 115.700 0.058 0.000 3.635 514 S HA -0.043 4.429 4.470 0.005 0.000 0.328 514 S C -0.074 174.576 174.600 0.083 0.000 1.135 514 S CA 0.800 59.035 58.200 0.058 0.000 0.942 514 S CB -1.054 62.175 63.200 0.050 0.000 0.930 514 S HN 0.953 nan 8.310 nan 0.000 0.512 515 A N -0.749 122.133 122.820 0.103 0.000 2.601 515 A HA 0.739 5.062 4.320 0.005 0.000 0.291 515 A C -0.557 177.118 177.584 0.151 0.000 1.075 515 A CA -0.044 52.074 52.037 0.135 0.000 0.671 515 A CB 1.136 20.205 19.000 0.115 0.000 1.277 515 A HN 1.174 nan 8.150 nan 0.000 0.417 516 c N 1.250 119.963 118.600 0.190 0.000 2.301 516 c HA 0.693 5.266 4.570 0.005 0.000 0.323 516 c C 1.471 175.696 174.090 0.224 0.000 1.265 516 c CA 0.273 56.709 56.329 0.178 0.000 1.503 516 c CB 0.045 42.657 42.510 0.170 0.000 2.195 516 c HN 1.617 nan 8.230 nan 0.000 0.477 517 A N 4.685 127.636 122.820 0.218 0.000 2.172 517 A HA 0.008 4.331 4.320 0.005 0.000 0.216 517 A C 1.918 179.694 177.584 0.321 0.000 1.154 517 A CA 0.982 53.199 52.037 0.299 0.000 0.701 517 A CB -0.261 18.948 19.000 0.348 0.000 0.789 517 A HN 0.861 nan 8.150 nan 0.000 0.465 518 R N -0.543 120.109 120.500 0.252 0.000 2.313 518 R HA 0.256 4.598 4.340 0.005 0.000 0.199 518 R C 0.721 177.276 176.300 0.424 0.000 0.958 518 R CA 0.647 56.871 56.100 0.208 0.000 1.047 518 R CB 0.081 30.405 30.300 0.041 0.000 0.955 518 R HN 0.462 nan 8.270 nan 0.000 0.481 519 G N -2.064 107.055 108.800 0.532 0.000 2.698 519 G HA2 0.729 4.692 3.960 0.005 0.000 0.293 519 G HA3 0.729 4.692 3.960 0.005 0.000 0.293 519 G C -1.704 173.104 174.900 -0.153 0.000 1.437 519 G CA -0.009 45.333 45.100 0.403 0.000 0.852 519 G HN 0.156 nan 8.290 nan 0.000 0.499 520 A N -0.436 121.989 122.820 -0.657 0.000 2.599 520 A HA 0.946 5.269 4.320 0.005 0.000 0.290 520 A C -1.638 175.620 177.584 -0.544 0.000 1.101 520 A CA -0.673 50.851 52.037 -0.855 0.000 0.674 520 A CB 1.313 20.003 19.000 -0.516 0.000 1.277 520 A HN 2.197 nan 8.150 nan 0.000 0.419 521 Y N -1.951 118.178 120.300 -0.285 0.000 2.553 521 Y HA 0.881 5.434 4.550 0.005 0.000 0.347 521 Y C -0.417 175.420 175.900 -0.106 0.000 1.019 521 Y CA -0.839 57.263 58.100 0.004 0.000 1.032 521 Y CB 1.429 39.906 38.460 0.028 0.000 1.284 521 Y HN 1.376 nan 8.280 nan 0.000 0.466 522 A N 1.093 123.762 122.820 -0.251 0.000 2.401 522 A HA 0.622 4.945 4.320 0.005 0.000 0.310 522 A C 0.128 177.557 177.584 -0.258 0.000 1.075 522 A CA -0.297 51.374 52.037 -0.611 0.000 0.746 522 A CB 1.271 19.383 19.000 -1.479 0.000 1.277 522 A HN 1.226 nan 8.150 nan 0.000 0.425 523 T N -2.184 112.237 114.554 -0.222 0.000 3.132 523 T HA 0.198 4.551 4.350 0.005 0.000 0.274 523 T C -0.108 174.508 174.700 -0.139 0.000 1.011 523 T CA 0.564 62.587 62.100 -0.129 0.000 0.899 523 T CB -0.223 68.591 68.868 -0.091 0.000 1.089 523 T HN 0.591 nan 8.240 nan 0.000 0.543 524 D N 0.134 120.410 120.400 -0.208 0.000 2.462 524 D HA 0.350 4.993 4.640 0.005 0.000 0.221 524 D C 1.571 177.785 176.300 -0.142 0.000 1.173 524 D CA 0.088 53.994 54.000 -0.157 0.000 0.831 524 D CB -0.220 40.479 40.800 -0.169 0.000 1.001 524 D HN 0.465 nan 8.370 nan 0.000 0.499 525 G N -0.395 108.313 108.800 -0.155 0.000 2.213 525 G HA2 -0.072 3.891 3.960 0.005 0.000 0.236 525 G HA3 -0.072 3.891 3.960 0.005 0.000 0.236 525 G C 1.042 175.850 174.900 -0.152 0.000 0.991 525 G CA 0.009 45.047 45.100 -0.104 0.000 0.629 525 G HN 1.403 nan 8.290 nan 0.000 0.517 526 G N -0.935 107.635 108.800 -0.383 0.000 2.161 526 G HA2 0.001 3.964 3.960 0.005 0.000 0.140 526 G HA3 0.001 3.964 3.960 0.005 0.000 0.140 526 G C 0.271 174.988 174.900 -0.306 0.000 1.040 526 G CA 0.988 45.761 45.100 -0.544 0.000 0.735 526 G HN 0.453 nan 8.290 nan 0.000 0.496 527 D N 0.366 120.542 120.400 -0.372 0.000 2.527 527 D HA 0.329 4.972 4.640 0.005 0.000 0.249 527 D C 1.669 177.812 176.300 -0.262 0.000 1.029 527 D CA 1.102 55.017 54.000 -0.143 0.000 0.951 527 D CB 0.082 40.835 40.800 -0.077 0.000 1.093 527 D HN 0.615 nan 8.370 nan 0.000 0.464 528 A N 0.948 123.544 122.820 -0.373 0.000 2.302 528 A HA 0.387 4.710 4.320 0.005 0.000 0.295 528 A C -1.100 176.201 177.584 -0.472 0.000 1.235 528 A CA -0.327 51.535 52.037 -0.292 0.000 0.876 528 A CB -0.125 18.750 19.000 -0.209 0.000 1.133 528 A HN 0.105 nan 8.150 nan 0.000 0.533 529 W N 1.365 122.512 121.300 -0.256 0.000 2.469 529 W HA 0.488 5.151 4.660 0.005 0.000 0.320 529 W C 0.145 176.382 176.519 -0.469 0.000 1.086 529 W CA -0.176 56.939 57.345 -0.383 0.000 1.211 529 W CB 1.785 31.004 29.460 -0.401 0.000 1.298 529 W HN 0.529 nan 8.180 nan 0.000 0.525 530 T N 4.683 118.938 114.554 -0.499 0.000 2.744 530 T HA 0.410 4.763 4.350 0.005 0.000 0.291 530 T C 0.126 174.482 174.700 -0.573 0.000 0.957 530 T CA -0.537 61.182 62.100 -0.635 0.000 1.002 530 T CB 0.185 68.423 68.868 -1.050 0.000 0.919 530 T HN 0.101 nan 8.240 nan 0.000 0.468 531 I N 3.613 123.965 120.570 -0.363 0.000 2.556 531 I HA 0.177 4.350 4.170 0.005 0.000 0.284 531 I C 0.447 176.515 176.117 -0.082 0.000 1.114 531 I CA -0.376 60.749 61.300 -0.291 0.000 1.418 531 I CB 0.266 38.101 38.000 -0.274 0.000 1.394 531 I HN 0.585 nan 8.210 nan 0.000 0.552 532 F N 7.397 127.446 119.950 0.165 0.000 2.623 532 F HA 0.013 4.543 4.527 0.005 0.000 0.383 532 F C -1.127 174.804 175.800 0.219 0.000 1.077 532 F CA -1.124 57.059 58.000 0.305 0.000 1.268 532 F CB 0.016 39.303 39.000 0.478 0.000 1.053 532 F HN 0.417 nan 8.300 nan 0.000 0.571 533 P HA -0.118 nan 4.420 nan 0.000 0.216 533 P C 0.044 177.486 177.300 0.237 0.000 1.150 533 P CA 1.654 64.902 63.100 0.246 0.000 0.843 533 P CB 0.075 31.890 31.700 0.192 0.000 0.787 534 T N -5.519 109.227 114.554 0.319 0.000 2.864 534 T HA 0.600 4.953 4.350 0.005 0.000 0.299 534 T C -0.767 174.169 174.700 0.393 0.000 1.166 534 T CA -0.839 61.416 62.100 0.259 0.000 1.007 534 T CB 1.067 70.045 68.868 0.183 0.000 1.219 534 T HN -0.156 nan 8.240 nan 0.000 0.506 535 c N 1.347 119.995 118.600 0.079 0.000 2.630 535 c HA 0.775 5.348 4.570 0.005 0.000 0.346 535 c C -2.337 171.278 174.090 -0.790 0.000 1.245 535 c CA -1.446 54.656 56.329 -0.378 0.000 1.804 535 c CB 1.059 43.297 42.510 -0.454 0.000 2.279 535 c HN 0.743 nan 8.230 nan 0.000 0.498 536 P HA 0.124 nan 4.420 nan 0.000 0.266 536 P C -2.539 174.062 177.300 -1.165 0.000 1.193 536 P CA -0.293 61.837 63.100 -1.617 0.000 0.770 536 P CB -0.314 30.067 31.700 -2.199 0.000 0.836 537 P HA 0.004 nan 4.420 nan 0.000 0.264 537 P C 1.003 178.008 177.300 -0.492 0.000 1.183 537 P CA 1.555 64.308 63.100 -0.579 0.000 0.763 537 P CB 0.014 31.468 31.700 -0.409 0.000 0.807 538 G N 2.584 111.180 108.800 -0.340 0.000 2.213 538 G HA2 -0.222 3.741 3.960 0.005 0.000 0.236 538 G HA3 -0.222 3.741 3.960 0.005 0.000 0.236 538 G C 0.363 175.071 174.900 -0.320 0.000 0.991 538 G CA -0.367 44.583 45.100 -0.250 0.000 0.629 538 G HN 0.444 nan 8.290 nan 0.000 0.517 539 M N 3.002 122.293 119.600 -0.514 0.000 3.652 539 M HA 0.251 4.734 4.480 0.005 0.000 0.208 539 M C 0.930 177.037 176.300 -0.322 0.000 1.307 539 M CA -0.657 54.291 55.300 -0.587 0.000 1.524 539 M CB -1.617 30.469 32.600 -0.857 0.000 1.067 539 M HN 0.618 nan 8.290 nan 0.000 0.590 540 N N -0.774 117.807 118.700 -0.198 0.000 2.643 540 N HA 0.517 5.260 4.740 0.005 0.000 0.305 540 N C 0.906 176.353 175.510 -0.106 0.000 1.283 540 N CA -0.437 52.532 53.050 -0.135 0.000 0.946 540 N CB 0.812 39.232 38.487 -0.112 0.000 1.149 540 N HN 0.136 nan 8.380 nan 0.000 0.600 541 A N 0.022 122.764 122.820 -0.129 0.000 2.019 541 A HA -0.143 4.180 4.320 0.005 0.000 0.219 541 A C 1.937 179.460 177.584 -0.102 0.000 1.164 541 A CA 1.781 53.713 52.037 -0.176 0.000 0.644 541 A CB -0.873 17.994 19.000 -0.221 0.000 0.805 541 A HN 0.739 nan 8.150 nan 0.000 0.449 542 S N -1.400 114.277 115.700 -0.039 0.000 2.577 542 S HA 0.073 4.546 4.470 0.005 0.000 0.219 542 S C 0.569 175.232 174.600 0.106 0.000 0.962 542 S CA -0.392 57.820 58.200 0.020 0.000 0.921 542 S CB -0.494 62.710 63.200 0.008 0.000 0.789 542 S HN 0.607 nan 8.310 nan 0.000 0.497 543 H N 1.633 120.688 119.070 -0.025 0.000 2.955 543 H HA 0.098 4.657 4.556 0.005 0.000 0.290 543 H C 0.148 175.476 175.328 0.000 0.000 1.047 543 H CA 0.255 56.267 56.048 -0.060 0.000 1.484 543 H CB 0.242 29.907 29.762 -0.162 0.000 1.501 543 H HN 0.636 nan 8.280 nan 0.000 0.521 544 Y N 2.538 122.616 120.300 -0.371 0.000 2.453 544 Y HA 0.208 4.761 4.550 0.005 0.000 0.247 544 Y C 1.318 177.073 175.900 -0.241 0.000 1.124 544 Y CA -0.463 57.513 58.100 -0.208 0.000 1.243 544 Y CB 0.319 38.694 38.460 -0.142 0.000 1.213 544 Y HN 0.378 nan 8.280 nan 0.000 0.523 545 Q N 1.899 121.122 119.800 -0.961 0.000 2.435 545 Q HA 0.328 4.671 4.340 0.005 0.000 0.207 545 Q C 1.276 177.172 176.000 -0.172 0.000 0.956 545 Q CA 0.900 56.312 55.803 -0.653 0.000 0.917 545 Q CB 0.233 28.502 28.738 -0.781 0.000 0.997 545 Q HN 0.724 nan 8.270 nan 0.000 0.497 546 G N 0.192 109.006 108.800 0.025 0.000 2.615 546 G HA2 -0.048 3.915 3.960 0.005 0.000 0.218 546 G HA3 -0.048 3.915 3.960 0.005 0.000 0.218 546 G C -0.426 174.595 174.900 0.201 0.000 1.339 546 G CA -0.369 44.803 45.100 0.120 0.000 0.884 546 G HN 0.892 nan 8.290 nan 0.000 0.559 547 S N -2.948 112.833 115.700 0.135 0.000 0.000 547 S HA 0.723 5.196 4.470 0.005 0.000 0.000 547 S C -0.905 173.806 174.600 0.185 0.000 0.000 547 S CA 0.450 58.751 58.200 0.169 0.000 0.000 547 S CB 1.579 64.930 63.200 0.253 0.000 0.000 547 S HN 1.898 nan 8.310 nan 0.000 0.000 548 T N 1.852 116.545 114.554 0.232 0.000 2.841 548 T HA 0.702 5.055 4.350 0.005 0.000 0.285 548 T C -0.838 173.998 174.700 0.228 0.000 0.991 548 T CA -0.431 61.780 62.100 0.186 0.000 0.966 548 T CB 1.090 70.050 68.868 0.153 0.000 0.962 548 T HN 0.791 nan 8.240 nan 0.000 0.438 549 I N 2.274 122.893 120.570 0.082 0.000 2.689 549 I HA 0.834 5.007 4.170 0.005 0.000 0.299 549 I C -1.276 174.910 176.117 0.115 0.000 1.059 549 I CA -0.802 60.484 61.300 -0.023 0.000 1.055 549 I CB 1.349 39.081 38.000 -0.447 0.000 1.243 549 I HN 0.785 nan 8.210 nan 0.000 0.425 550 A N 6.131 129.080 122.820 0.215 0.000 2.520 550 A HA 0.692 5.015 4.320 0.005 0.000 0.298 550 A C -1.928 175.917 177.584 0.435 0.000 1.051 550 A CA -0.506 51.731 52.037 0.334 0.000 0.690 550 A CB 1.903 21.183 19.000 0.468 0.000 1.281 550 A HN 0.561 nan 8.150 nan 0.000 0.402 551 V N 3.348 123.472 119.914 0.350 0.000 2.555 551 V HA 0.463 4.586 4.120 0.005 0.000 0.302 551 V C -0.126 176.080 176.094 0.186 0.000 1.038 551 V CA -0.454 62.042 62.300 0.326 0.000 0.887 551 V CB 1.493 33.459 31.823 0.237 0.000 0.991 551 V HN 1.112 nan 8.190 nan 0.000 0.434 552 D N 5.223 125.705 120.400 0.136 0.000 2.349 552 D HA 0.086 4.729 4.640 0.005 0.000 0.239 552 D C 0.976 177.231 176.300 -0.074 0.000 1.315 552 D CA 0.241 54.119 54.000 -0.203 0.000 0.937 552 D CB 1.744 42.426 40.800 -0.196 0.000 1.133 552 D HN 0.615 nan 8.370 nan 0.000 0.489 553 A N 0.205 122.959 122.820 -0.110 0.000 2.015 553 A HA -0.134 4.189 4.320 0.005 0.000 0.219 553 A C 2.278 179.887 177.584 0.042 0.000 1.163 553 A CA 1.788 53.796 52.037 -0.048 0.000 0.646 553 A CB -0.734 18.225 19.000 -0.069 0.000 0.806 553 A HN 0.651 nan 8.150 nan 0.000 0.448 554 S N -1.533 114.217 115.700 0.084 0.000 2.489 554 S HA 0.314 4.787 4.470 0.005 0.000 0.228 554 S C 1.485 176.250 174.600 0.276 0.000 0.995 554 S CA 1.184 59.524 58.200 0.233 0.000 0.934 554 S CB -0.494 62.776 63.200 0.115 0.000 0.771 554 S HN 1.922 nan 8.310 nan 0.000 0.522 555 G N 0.928 109.832 108.800 0.174 0.000 2.147 555 G HA2 -0.289 3.674 3.960 0.005 0.000 0.244 555 G HA3 -0.289 3.674 3.960 0.005 0.000 0.244 555 G C 0.707 175.675 174.900 0.114 0.000 1.005 555 G CA 0.750 45.954 45.100 0.174 0.000 0.713 555 G HN 1.398 nan 8.290 nan 0.000 0.515 556 S N -1.926 113.766 115.700 -0.013 0.000 2.520 556 S HA 0.406 4.879 4.470 0.005 0.000 0.219 556 S C 0.532 174.914 174.600 -0.363 0.000 1.028 556 S CA 0.407 58.470 58.200 -0.229 0.000 0.921 556 S CB 0.505 63.592 63.200 -0.188 0.000 0.844 556 S HN 0.568 nan 8.310 nan 0.000 0.495 557 Q N 0.853 120.563 119.800 -0.149 0.000 2.321 557 Q HA 0.635 4.978 4.340 0.005 0.000 0.270 557 Q C -1.528 174.603 176.000 0.219 0.000 1.032 557 Q CA -0.328 55.434 55.803 -0.069 0.000 0.784 557 Q CB 2.401 31.037 28.738 -0.170 0.000 1.264 557 Q HN 0.383 nan 8.270 nan 0.000 0.448 558 I N 2.142 122.821 120.570 0.182 0.000 2.378 558 I HA 0.455 4.628 4.170 0.005 0.000 0.291 558 I C -0.588 175.709 176.117 0.300 0.000 0.992 558 I CA -1.116 60.352 61.300 0.279 0.000 1.154 558 I CB 1.754 39.922 38.000 0.280 0.000 1.315 558 I HN 0.250 nan 8.210 nan 0.000 0.448 559 V N 5.465 125.469 119.914 0.151 0.000 2.513 559 V HA 0.434 4.557 4.120 0.005 0.000 0.299 559 V C -1.218 175.057 176.094 0.301 0.000 1.035 559 V CA -0.453 61.901 62.300 0.089 0.000 0.889 559 V CB 2.030 33.563 31.823 -0.482 0.000 0.988 559 V HN 0.659 nan 8.190 nan 0.000 0.440 560 W N 4.425 125.765 121.300 0.066 0.000 3.036 560 W HA 0.572 5.235 4.660 0.005 0.000 0.337 560 W C -0.381 176.109 176.519 -0.048 0.000 1.055 560 W CA -1.032 56.258 57.345 -0.092 0.000 1.248 560 W CB 1.825 30.999 29.460 -0.476 0.000 1.335 560 W HN 0.549 nan 8.180 nan 0.000 0.446 561 S N 2.833 118.693 115.700 0.267 0.000 2.462 561 S HA 0.395 4.868 4.470 0.005 0.000 0.294 561 S C 1.020 175.602 174.600 -0.030 0.000 1.144 561 S CA 0.288 58.541 58.200 0.089 0.000 1.088 561 S CB 1.389 64.625 63.200 0.059 0.000 1.009 561 S HN 0.516 nan 8.310 nan 0.000 0.484 562 T N 1.220 115.700 114.554 -0.123 0.000 3.100 562 T HA 0.243 4.596 4.350 0.005 0.000 0.253 562 T C 0.667 175.358 174.700 -0.015 0.000 1.118 562 T CA 0.085 62.042 62.100 -0.237 0.000 1.058 562 T CB -0.703 67.984 68.868 -0.300 0.000 0.953 562 T HN 0.899 nan 8.240 nan 0.000 0.515 563 K N 0.165 120.564 120.400 -0.003 0.000 3.274 563 K HA -0.110 4.213 4.320 0.005 0.000 0.300 563 K C -0.603 175.977 176.600 -0.034 0.000 1.230 563 K CA 0.433 56.717 56.287 -0.005 0.000 0.884 563 K CB -1.973 30.532 32.500 0.008 0.000 1.242 563 K HN 0.506 nan 8.250 nan 0.000 0.467 564 L N 1.962 123.172 121.223 -0.023 0.000 2.268 564 L HA 0.101 4.444 4.340 0.005 0.000 0.289 564 L C 1.535 178.377 176.870 -0.047 0.000 1.064 564 L CA -0.363 54.450 54.840 -0.045 0.000 0.824 564 L CB 0.700 42.746 42.059 -0.022 0.000 1.202 564 L HN 0.204 nan 8.230 nan 0.000 0.433 565 D N 1.479 121.846 120.400 -0.056 0.000 2.378 565 D HA -0.185 4.458 4.640 0.005 0.000 0.222 565 D C 0.843 177.116 176.300 -0.044 0.000 0.980 565 D CA 0.644 54.613 54.000 -0.050 0.000 0.907 565 D CB 0.288 41.062 40.800 -0.044 0.000 0.899 565 D HN 0.562 nan 8.370 nan 0.000 0.527 566 E N 0.173 120.350 120.200 -0.039 0.000 2.427 566 E HA 0.002 4.355 4.350 0.005 0.000 0.196 566 E C 0.359 176.944 176.600 -0.025 0.000 1.028 566 E CA 0.305 56.687 56.400 -0.030 0.000 0.864 566 E CB -0.076 29.609 29.700 -0.025 0.000 0.813 566 E HN 0.433 nan 8.360 nan 0.000 0.514 567 Q N 0.551 120.336 119.800 -0.025 0.000 2.322 567 Q HA 0.451 4.794 4.340 0.005 0.000 0.256 567 Q C -0.508 175.444 176.000 -0.081 0.000 0.960 567 Q CA -0.392 55.396 55.803 -0.025 0.000 0.934 567 Q CB 1.548 30.305 28.738 0.031 0.000 1.200 567 Q HN 0.130 nan 8.270 nan 0.000 0.435 568 A N 2.663 125.431 122.820 -0.088 0.000 3.202 568 A HA 0.352 4.675 4.320 0.005 0.000 0.258 568 A C -0.260 177.228 177.584 -0.160 0.000 1.572 568 A CA -0.195 51.777 52.037 -0.108 0.000 1.241 568 A CB -0.285 18.670 19.000 -0.076 0.000 1.127 568 A HN 0.615 nan 8.150 nan 0.000 0.648 569 S N -1.431 114.130 115.700 -0.232 0.000 2.596 569 S HA 0.776 5.249 4.470 0.005 0.000 0.270 569 S C 0.123 174.489 174.600 -0.391 0.000 1.155 569 S CA -0.264 57.738 58.200 -0.330 0.000 0.827 569 S CB 0.860 63.778 63.200 -0.470 0.000 1.130 569 S HN 0.940 nan 8.310 nan 0.000 0.467 570 G N 0.205 108.762 108.800 -0.405 0.000 2.580 570 G HA2 0.614 4.577 3.960 0.005 0.000 0.278 570 G HA3 0.614 4.577 3.960 0.005 0.000 0.278 570 G C -3.009 171.632 174.900 -0.432 0.000 1.212 570 G CA -2.034 42.810 45.100 -0.427 0.000 0.939 570 G HN 0.542 nan 8.290 nan 0.000 0.513 571 P HA -0.077 nan 4.420 nan 0.000 0.259 571 P C -0.494 176.789 177.300 -0.028 0.000 1.155 571 P CA 0.477 63.494 63.100 -0.139 0.000 0.759 571 P CB 0.237 31.886 31.700 -0.086 0.000 0.753 572 W N 4.230 125.527 121.300 -0.006 0.000 2.158 572 W HA 0.270 4.933 4.660 0.005 0.000 0.339 572 W C 0.615 177.309 176.519 0.293 0.000 1.294 572 W CA 0.396 57.785 57.345 0.074 0.000 1.231 572 W CB -0.238 29.179 29.460 -0.072 0.000 1.143 572 W HN 0.398 nan 8.180 nan 0.000 0.571 573 Y N -0.007 120.556 120.300 0.439 0.000 2.562 573 Y HA 0.802 5.355 4.550 0.005 0.000 0.343 573 Y C -0.517 175.451 175.900 0.114 0.000 1.025 573 Y CA -1.859 56.400 58.100 0.265 0.000 1.082 573 Y CB 1.965 40.425 38.460 0.000 0.000 1.264 573 Y HN 0.299 nan 8.280 nan 0.000 0.478 574 S N 0.661 116.350 115.700 -0.019 0.000 2.566 574 S HA 0.374 4.847 4.470 0.005 0.000 0.273 574 S C -1.379 173.192 174.600 -0.048 0.000 1.157 574 S CA -0.600 57.319 58.200 -0.468 0.000 0.938 574 S CB 0.538 62.804 63.200 -1.556 0.000 1.087 574 S HN 0.991 nan 8.310 nan 0.000 0.474 575 H N 2.120 121.043 119.070 -0.246 0.000 2.784 575 H HA 0.193 4.752 4.556 0.005 0.000 0.273 575 H C -0.450 174.688 175.328 -0.317 0.000 1.112 575 H CA 0.001 55.917 56.048 -0.221 0.000 1.162 575 H CB 0.629 30.346 29.762 -0.073 0.000 1.586 575 H HN 0.686 nan 8.280 nan 0.000 0.548 576 D N -1.045 119.214 120.400 -0.236 0.000 2.720 576 D HA -0.019 4.624 4.640 0.005 0.000 0.285 576 D C -0.380 175.849 176.300 -0.119 0.000 1.359 576 D CA -0.743 53.147 54.000 -0.183 0.000 0.818 576 D CB -0.993 39.741 40.800 -0.109 0.000 1.108 576 D HN 0.167 nan 8.370 nan 0.000 0.474 577 Y N 0.692 120.872 120.300 -0.201 0.000 3.305 577 Y HA -0.154 4.399 4.550 0.005 0.000 0.212 577 Y C 1.718 177.651 175.900 0.055 0.000 1.248 577 Y CA 0.719 58.704 58.100 -0.191 0.000 1.359 577 Y CB -1.461 36.777 38.460 -0.370 0.000 1.407 577 Y HN 0.521 nan 8.280 nan 0.000 0.572 578 G N -1.311 107.367 108.800 -0.203 0.000 2.176 578 G HA2 -0.335 3.628 3.960 0.005 0.000 0.232 578 G HA3 -0.335 3.628 3.960 0.005 0.000 0.232 578 G C 1.053 175.895 174.900 -0.097 0.000 0.986 578 G CA 0.338 45.302 45.100 -0.228 0.000 0.643 578 G HN 0.470 nan 8.290 nan 0.000 0.522 579 K N 0.245 120.594 120.400 -0.085 0.000 2.032 579 K HA 0.057 4.380 4.320 0.005 0.000 0.209 579 K C 1.507 178.022 176.600 -0.141 0.000 1.048 579 K CA 1.729 57.987 56.287 -0.049 0.000 0.927 579 K CB -0.163 32.324 32.500 -0.021 0.000 0.712 579 K HN 0.706 nan 8.250 nan 0.000 0.441 580 T N -2.684 111.680 114.554 -0.317 0.000 2.907 580 T HA 0.492 4.845 4.350 0.005 0.000 0.292 580 T C -1.401 172.938 174.700 -0.601 0.000 1.043 580 T CA -0.961 60.954 62.100 -0.308 0.000 1.003 580 T CB 1.186 69.930 68.868 -0.206 0.000 1.084 580 T HN 0.144 nan 8.240 nan 0.000 0.483 581 W N 1.084 122.269 121.300 -0.191 0.000 2.656 581 W HA 0.676 5.339 4.660 0.005 0.000 0.327 581 W C -0.097 176.360 176.519 -0.103 0.000 1.041 581 W CA -0.471 56.753 57.345 -0.202 0.000 1.229 581 W CB 2.399 31.685 29.460 -0.289 0.000 1.397 581 W HN 0.789 nan 8.180 nan 0.000 0.479 582 S N 0.770 116.401 115.700 -0.115 0.000 2.671 582 S HA 0.630 5.103 4.470 0.005 0.000 0.299 582 S C -0.892 173.609 174.600 -0.165 0.000 1.116 582 S CA -0.881 57.186 58.200 -0.222 0.000 0.912 582 S CB 1.716 64.556 63.200 -0.599 0.000 1.130 582 S HN 0.150 nan 8.310 nan 0.000 0.501 583 V N 4.124 123.970 119.914 -0.114 0.000 2.465 583 V HA 0.348 4.471 4.120 0.005 0.000 0.279 583 V C -1.934 174.203 176.094 0.072 0.000 1.045 583 V CA -1.586 60.576 62.300 -0.231 0.000 0.938 583 V CB 0.890 32.534 31.823 -0.300 0.000 0.986 583 V HN 0.683 nan 8.190 nan 0.000 0.467 584 P HA 0.387 nan 4.420 nan 0.000 0.277 584 P C -0.555 176.763 177.300 0.030 0.000 1.240 584 P CA -0.221 62.957 63.100 0.131 0.000 0.798 584 P CB 1.327 33.149 31.700 0.204 0.000 0.979 585 A N 1.418 124.247 122.820 0.015 0.000 2.239 585 A HA 0.801 5.124 4.320 0.005 0.000 0.303 585 A C 0.678 178.284 177.584 0.037 0.000 1.114 585 A CA 0.206 52.245 52.037 0.004 0.000 0.871 585 A CB -0.287 18.708 19.000 -0.009 0.000 1.201 585 A HN 0.907 nan 8.150 nan 0.000 0.506 586 G N -0.637 108.184 108.800 0.034 0.000 2.548 586 G HA2 -0.121 3.842 3.960 0.005 0.000 0.208 586 G HA3 -0.121 3.842 3.960 0.005 0.000 0.208 586 G C -0.008 174.937 174.900 0.075 0.000 1.308 586 G CA 0.320 45.464 45.100 0.072 0.000 0.924 586 G HN 0.615 nan 8.290 nan 0.000 0.540 587 D N -0.438 120.050 120.400 0.148 0.000 2.269 587 D HA 0.031 4.674 4.640 0.005 0.000 0.208 587 D C 1.364 177.707 176.300 0.071 0.000 0.963 587 D CA 0.872 54.988 54.000 0.193 0.000 0.864 587 D CB 0.058 41.081 40.800 0.371 0.000 0.936 587 D HN 0.302 nan 8.370 nan 0.000 0.505 588 L N 0.976 122.089 121.223 -0.183 0.000 2.261 588 L HA 0.194 4.537 4.340 0.005 0.000 0.289 588 L C 0.443 177.046 176.870 -0.446 0.000 1.059 588 L CA 0.137 54.548 54.840 -0.715 0.000 0.816 588 L CB 1.022 42.369 42.059 -1.186 0.000 1.191 588 L HN -0.380 nan 8.230 nan 0.000 0.431 589 K N 3.547 123.727 120.400 -0.366 0.000 2.478 589 K HA 0.636 4.959 4.320 0.005 0.000 0.205 589 K C -0.767 175.688 176.600 -0.242 0.000 1.033 589 K CA 0.270 56.408 56.287 -0.248 0.000 1.091 589 K CB 0.855 33.267 32.500 -0.147 0.000 0.844 589 K HN 0.652 nan 8.250 nan 0.000 0.507 590 A N 0.057 122.700 122.820 -0.296 0.000 2.515 590 A HA 0.403 4.726 4.320 0.005 0.000 0.298 590 A C -0.916 176.521 177.584 -0.244 0.000 1.059 590 A CA -0.716 51.184 52.037 -0.228 0.000 0.698 590 A CB 1.051 19.949 19.000 -0.170 0.000 1.289 590 A HN 0.029 nan 8.150 nan 0.000 0.404 591 Q N 1.702 121.399 119.800 -0.172 0.000 3.151 591 Q HA 0.044 4.387 4.340 0.005 0.000 0.277 591 Q C 0.615 176.557 176.000 -0.097 0.000 1.343 591 Q CA 0.308 56.035 55.803 -0.127 0.000 0.925 591 Q CB -0.647 28.052 28.738 -0.064 0.000 1.771 591 Q HN 0.763 nan 8.270 nan 0.000 0.514 592 T N -0.912 113.564 114.554 -0.130 0.000 2.903 592 T HA 0.181 4.533 4.350 0.005 0.000 0.314 592 T C 1.241 175.926 174.700 -0.025 0.000 1.078 592 T CA 0.442 62.495 62.100 -0.078 0.000 1.114 592 T CB 0.794 69.603 68.868 -0.098 0.000 0.987 592 T HN 0.483 nan 8.240 nan 0.000 0.548 593 A N 4.043 126.868 122.820 0.008 0.000 2.119 593 A HA 0.123 4.446 4.320 0.005 0.000 0.216 593 A C 1.159 178.784 177.584 0.068 0.000 1.152 593 A CA 0.357 52.420 52.037 0.043 0.000 0.708 593 A CB -0.104 18.922 19.000 0.044 0.000 0.805 593 A HN 0.820 nan 8.150 nan 0.000 0.460 594 N N 0.518 119.256 118.700 0.062 0.000 3.083 594 N HA 0.317 5.060 4.740 0.005 0.000 0.260 594 N C -1.235 174.341 175.510 0.110 0.000 1.163 594 N CA 0.252 53.362 53.050 0.100 0.000 1.060 594 N CB 1.258 39.809 38.487 0.108 0.000 1.345 594 N HN 0.111 nan 8.380 nan 0.000 0.515 595 V N 2.898 122.897 119.914 0.141 0.000 2.638 595 V HA 0.661 4.784 4.120 0.005 0.000 0.306 595 V C -0.835 175.420 176.094 0.269 0.000 1.052 595 V CA -0.785 61.631 62.300 0.193 0.000 0.885 595 V CB 2.064 33.971 31.823 0.141 0.000 0.999 595 V HN 0.411 nan 8.190 nan 0.000 0.424 596 L N 4.007 125.442 121.223 0.354 0.000 2.403 596 L HA 0.956 5.299 4.340 0.005 0.000 0.253 596 L C -0.551 176.569 176.870 0.416 0.000 1.045 596 L CA -0.591 54.471 54.840 0.369 0.000 0.845 596 L CB 2.307 44.557 42.059 0.318 0.000 1.447 596 L HN 0.662 nan 8.230 nan 0.000 0.411 597 S N -0.889 114.968 115.700 0.262 0.000 2.525 597 S HA 0.332 4.805 4.470 0.005 0.000 0.290 597 S C -0.444 174.178 174.600 0.037 0.000 1.152 597 S CA -0.761 57.399 58.200 -0.067 0.000 1.072 597 S CB 1.507 64.588 63.200 -0.199 0.000 1.027 597 S HN 0.788 nan 8.310 nan 0.000 0.500 598 D N 0.413 120.784 120.400 -0.048 0.000 2.449 598 D HA 0.063 4.706 4.640 0.005 0.000 0.236 598 D C 0.179 176.484 176.300 0.008 0.000 1.149 598 D CA 0.244 54.333 54.000 0.149 0.000 0.878 598 D CB 0.689 41.590 40.800 0.168 0.000 1.198 598 D HN 0.662 nan 8.370 nan 0.000 0.446 599 K N 1.491 121.908 120.400 0.028 0.000 2.373 599 K HA 0.166 4.489 4.320 0.005 0.000 0.202 599 K C 0.747 177.302 176.600 -0.074 0.000 1.025 599 K CA -0.103 56.154 56.287 -0.049 0.000 1.115 599 K CB 0.613 33.063 32.500 -0.084 0.000 0.858 599 K HN 0.207 nan 8.250 nan 0.000 0.525 600 V N -0.977 118.926 119.914 -0.017 0.000 3.165 600 V HA 0.100 4.223 4.120 0.005 0.000 0.231 600 V C -0.031 176.081 176.094 0.030 0.000 1.365 600 V CA -0.229 62.070 62.300 -0.001 0.000 1.286 600 V CB 0.706 32.554 31.823 0.042 0.000 1.081 600 V HN 0.067 nan 8.190 nan 0.000 0.477 601 Q N 1.824 121.677 119.800 0.087 0.000 2.294 601 Q HA 0.218 4.561 4.340 0.005 0.000 0.257 601 Q C -0.757 175.244 176.000 0.002 0.000 0.955 601 Q CA -0.124 55.742 55.803 0.105 0.000 0.936 601 Q CB 0.642 29.558 28.738 0.297 0.000 1.188 601 Q HN 0.397 nan 8.270 nan 0.000 0.420 602 D N 3.052 123.439 120.400 -0.022 0.000 2.449 602 D HA 0.219 4.862 4.640 0.005 0.000 0.236 602 D C 0.845 177.081 176.300 -0.107 0.000 1.149 602 D CA 1.533 55.496 54.000 -0.061 0.000 0.878 602 D CB 0.573 41.355 40.800 -0.029 0.000 1.198 602 D HN 0.869 nan 8.370 nan 0.000 0.446 603 G N 1.260 109.970 108.800 -0.150 0.000 2.168 603 G HA2 -0.259 3.704 3.960 0.005 0.000 0.257 603 G HA3 -0.259 3.704 3.960 0.005 0.000 0.257 603 G C 0.230 175.041 174.900 -0.149 0.000 0.997 603 G CA 0.558 45.593 45.100 -0.108 0.000 0.708 603 G HN 0.562 nan 8.290 nan 0.000 0.520 604 T N 0.182 114.513 114.554 -0.371 0.000 2.786 604 T HA 0.661 5.014 4.350 0.005 0.000 0.283 604 T C -0.754 173.512 174.700 -0.723 0.000 0.992 604 T CA -0.224 61.644 62.100 -0.387 0.000 0.954 604 T CB 1.147 69.890 68.868 -0.208 0.000 0.934 604 T HN 0.240 nan 8.240 nan 0.000 0.440 605 F N 1.988 121.712 119.950 -0.377 0.000 2.556 605 F HA 0.596 5.126 4.527 0.005 0.000 0.314 605 F C -0.566 175.044 175.800 -0.316 0.000 1.106 605 F CA -1.082 56.767 58.000 -0.252 0.000 0.911 605 F CB 1.680 40.674 39.000 -0.009 0.000 1.190 605 F HN 0.505 nan 8.300 nan 0.000 0.448 606 Y N 1.079 121.613 120.300 0.391 0.000 2.567 606 Y HA 0.862 5.415 4.550 0.005 0.000 0.333 606 Y C -0.012 175.970 175.900 0.137 0.000 1.106 606 Y CA -1.235 56.992 58.100 0.212 0.000 1.157 606 Y CB 2.116 40.735 38.460 0.265 0.000 1.277 606 Y HN 0.692 nan 8.280 nan 0.000 0.490 607 A N 0.411 123.248 122.820 0.028 0.000 2.605 607 A HA 0.705 5.028 4.320 0.005 0.000 0.294 607 A C -1.104 176.466 177.584 -0.022 0.000 1.062 607 A CA -0.784 51.264 52.037 0.019 0.000 0.682 607 A CB 1.048 20.016 19.000 -0.054 0.000 1.278 607 A HN 0.681 nan 8.150 nan 0.000 0.410 608 T N -1.069 113.542 114.554 0.095 0.000 2.856 608 T HA 0.763 5.116 4.350 0.005 0.000 0.283 608 T C -1.076 173.721 174.700 0.162 0.000 1.008 608 T CA -0.421 61.784 62.100 0.175 0.000 0.997 608 T CB 1.702 70.671 68.868 0.167 0.000 0.992 608 T HN 0.822 nan 8.240 nan 0.000 0.454 609 D N 0.243 120.798 120.400 0.257 0.000 2.812 609 D HA 0.479 5.122 4.640 0.005 0.000 0.210 609 D C 0.755 177.181 176.300 0.210 0.000 1.260 609 D CA 0.555 54.656 54.000 0.168 0.000 0.817 609 D CB 0.885 41.698 40.800 0.023 0.000 1.694 609 D HN 1.058 nan 8.370 nan 0.000 0.530 610 G N 2.007 110.870 108.800 0.105 0.000 2.283 610 G HA2 0.077 4.040 3.960 0.005 0.000 0.280 610 G HA3 0.077 4.040 3.960 0.005 0.000 0.280 610 G C 1.164 176.102 174.900 0.062 0.000 1.029 610 G CA 1.165 46.313 45.100 0.081 0.000 0.840 610 G HN 1.771 nan 8.290 nan 0.000 0.505 611 G N -1.738 107.091 108.800 0.048 0.000 2.179 611 G HA2 -0.279 3.684 3.960 0.005 0.000 0.260 611 G HA3 -0.279 3.684 3.960 0.005 0.000 0.260 611 G C 0.420 175.304 174.900 -0.027 0.000 0.977 611 G CA 1.235 46.336 45.100 0.001 0.000 0.641 611 G HN 1.010 nan 8.290 nan 0.000 0.533 612 K N -0.642 119.758 120.400 0.000 0.000 2.123 612 K HA 0.669 4.992 4.320 0.005 0.000 0.248 612 K C -1.192 175.327 176.600 -0.136 0.000 0.969 612 K CA -0.887 55.317 56.287 -0.139 0.000 0.882 612 K CB 1.709 34.027 32.500 -0.304 0.000 1.080 612 K HN 0.064 nan 8.250 nan 0.000 0.441 613 F N 2.215 121.938 119.950 -0.378 0.000 2.426 613 F HA 0.405 4.935 4.527 0.005 0.000 0.348 613 F C -1.204 174.437 175.800 -0.265 0.000 1.124 613 F CA -0.751 57.146 58.000 -0.171 0.000 1.008 613 F CB 0.561 39.529 39.000 -0.054 0.000 1.139 613 F HN 0.318 nan 8.300 nan 0.000 0.452 614 F N 4.999 124.758 119.950 -0.317 0.000 2.480 614 F HA 0.713 5.243 4.527 0.005 0.000 0.329 614 F C -0.646 175.165 175.800 0.019 0.000 1.091 614 F CA -1.103 56.865 58.000 -0.053 0.000 0.972 614 F CB 1.780 40.747 39.000 -0.054 0.000 1.150 614 F HN 0.062 nan 8.300 nan 0.000 0.467 615 V N 1.382 121.549 119.914 0.421 0.000 2.656 615 V HA 0.599 4.722 4.120 0.005 0.000 0.307 615 V C -0.756 175.433 176.094 0.159 0.000 1.051 615 V CA -0.759 61.753 62.300 0.353 0.000 0.893 615 V CB 2.011 34.092 31.823 0.429 0.000 0.999 615 V HN 0.762 nan 8.190 nan 0.000 0.426 616 S N 1.761 117.413 115.700 -0.079 0.000 2.532 616 S HA 0.578 5.051 4.470 0.005 0.000 0.299 616 S C 0.420 174.920 174.600 -0.166 0.000 1.105 616 S CA 0.220 58.238 58.200 -0.303 0.000 1.018 616 S CB 1.719 64.416 63.200 -0.838 0.000 1.021 616 S HN 1.030 nan 8.310 nan 0.000 0.483 617 T N 0.033 114.503 114.554 -0.141 0.000 3.132 617 T HA 0.244 4.597 4.350 0.005 0.000 0.274 617 T C -0.005 174.630 174.700 -0.108 0.000 1.011 617 T CA -0.090 61.934 62.100 -0.127 0.000 0.899 617 T CB -0.204 68.576 68.868 -0.146 0.000 1.089 617 T HN 0.610 nan 8.240 nan 0.000 0.543 618 D N 0.469 120.802 120.400 -0.112 0.000 2.696 618 D HA 0.338 4.981 4.640 0.005 0.000 0.269 618 D C 1.378 177.654 176.300 -0.039 0.000 1.319 618 D CA -0.266 53.680 54.000 -0.089 0.000 0.826 618 D CB -0.286 40.442 40.800 -0.120 0.000 1.086 618 D HN 0.391 nan 8.370 nan 0.000 0.481 619 G N -0.356 108.471 108.800 0.045 0.000 2.136 619 G HA2 -0.049 3.914 3.960 0.005 0.000 0.242 619 G HA3 -0.049 3.914 3.960 0.005 0.000 0.242 619 G C 1.143 176.138 174.900 0.158 0.000 0.989 619 G CA 0.285 45.529 45.100 0.240 0.000 0.682 619 G HN 1.443 nan 8.290 nan 0.000 0.522 620 G N -0.959 107.742 108.800 -0.165 0.000 2.141 620 G HA2 -0.277 3.686 3.960 0.005 0.000 0.242 620 G HA3 -0.277 3.686 3.960 0.005 0.000 0.242 620 G C 0.967 175.498 174.900 -0.616 0.000 0.982 620 G CA 1.295 46.116 45.100 -0.464 0.000 0.662 620 G HN 0.895 nan 8.290 nan 0.000 0.527 621 K N 0.084 120.032 120.400 -0.752 0.000 2.148 621 K HA 0.167 4.490 4.320 0.005 0.000 0.204 621 K C 1.305 177.648 176.600 -0.429 0.000 1.050 621 K CA 1.407 57.127 56.287 -0.943 0.000 0.942 621 K CB -0.057 32.071 32.500 -0.620 0.000 0.724 621 K HN 0.888 nan 8.250 nan 0.000 0.446 622 S N -1.134 114.352 115.700 -0.356 0.000 2.535 622 S HA 0.395 4.868 4.470 0.005 0.000 0.272 622 S C -1.425 173.021 174.600 -0.257 0.000 1.149 622 S CA -1.131 56.964 58.200 -0.175 0.000 0.888 622 S CB 0.663 63.803 63.200 -0.099 0.000 1.110 622 S HN 0.035 nan 8.310 nan 0.000 0.463 623 Y N 0.819 121.111 120.300 -0.013 0.000 2.487 623 Y HA 0.810 5.364 4.550 0.005 0.000 0.337 623 Y C 0.450 176.428 175.900 0.130 0.000 1.076 623 Y CA -0.631 57.510 58.100 0.069 0.000 1.115 623 Y CB 2.116 40.623 38.460 0.079 0.000 1.235 623 Y HN 1.098 nan 8.280 nan 0.000 0.468 624 A N 1.317 124.329 122.820 0.320 0.000 2.330 624 A HA 0.781 5.104 4.320 0.005 0.000 0.313 624 A C -0.633 177.106 177.584 0.258 0.000 1.124 624 A CA -0.805 51.381 52.037 0.249 0.000 0.774 624 A CB 0.402 19.489 19.000 0.144 0.000 1.198 624 A HN 0.913 nan 8.150 nan 0.000 0.465 625 A N 3.403 126.326 122.820 0.172 0.000 2.505 625 A HA 0.461 4.784 4.320 0.005 0.000 0.271 625 A C 0.642 178.211 177.584 -0.026 0.000 1.112 625 A CA 0.325 52.266 52.037 -0.160 0.000 0.781 625 A CB -0.201 18.652 19.000 -0.244 0.000 1.059 625 A HN 0.790 nan 8.150 nan 0.000 0.508 626 K N 1.671 122.105 120.400 0.057 0.000 2.041 626 K HA 0.704 5.027 4.320 0.005 0.000 0.277 626 K C 0.701 177.408 176.600 0.178 0.000 0.965 626 K CA -0.277 56.100 56.287 0.150 0.000 1.138 626 K CB 0.047 32.691 32.500 0.240 0.000 3.194 626 K HN 1.569 nan 8.250 nan 0.000 1.085 627 G N 1.067 110.023 108.800 0.261 0.000 2.291 627 G HA2 -0.152 3.811 3.960 0.005 0.000 0.271 627 G HA3 -0.152 3.811 3.960 0.005 0.000 0.271 627 G C 0.018 175.001 174.900 0.139 0.000 1.099 627 G CA 0.136 45.398 45.100 0.269 0.000 0.919 627 G HN 0.690 nan 8.290 nan 0.000 0.496 628 A N -0.345 122.547 122.820 0.121 0.000 2.488 628 A HA 0.716 5.039 4.320 0.005 0.000 0.249 628 A C 1.947 179.589 177.584 0.096 0.000 1.083 628 A CA 1.683 53.763 52.037 0.072 0.000 0.768 628 A CB 0.285 19.317 19.000 0.052 0.000 1.017 628 A HN 2.508 nan 8.150 nan 0.000 0.496 629 G N 0.787 109.625 108.800 0.063 0.000 2.195 629 G HA2 -0.147 3.816 3.960 0.005 0.000 0.246 629 G HA3 -0.147 3.816 3.960 0.005 0.000 0.246 629 G C 0.113 175.069 174.900 0.093 0.000 0.984 629 G CA 0.296 45.456 45.100 0.100 0.000 0.633 629 G HN 1.544 nan 8.290 nan 0.000 0.525 630 L N 2.544 123.721 121.223 -0.077 0.000 2.361 630 L HA 0.643 4.986 4.340 0.005 0.000 0.278 630 L C 1.102 177.680 176.870 -0.487 0.000 1.113 630 L CA -0.439 54.104 54.840 -0.495 0.000 0.849 630 L CB 1.198 42.857 42.059 -0.667 0.000 1.155 630 L HN 0.829 nan 8.230 nan 0.000 0.452 631 V N 2.598 122.077 119.914 -0.725 0.000 2.740 631 V HA 0.334 4.457 4.120 0.005 0.000 0.303 631 V C 0.367 176.264 176.094 -0.328 0.000 1.054 631 V CA -0.308 61.782 62.300 -0.349 0.000 1.106 631 V CB 0.391 32.144 31.823 -0.117 0.000 0.957 631 V HN 0.875 nan 8.190 nan 0.000 0.486 632 T N 5.009 119.464 114.554 -0.166 0.000 2.794 632 T HA 0.702 5.055 4.350 0.005 0.000 0.296 632 T C 0.473 175.123 174.700 -0.083 0.000 0.949 632 T CA 0.489 62.517 62.100 -0.121 0.000 1.101 632 T CB 0.790 69.615 68.868 -0.071 0.000 0.905 632 T HN 1.435 nan 8.240 nan 0.000 0.516 633 G N 1.721 110.476 108.800 -0.074 0.000 2.753 633 G HA2 0.512 4.475 3.960 0.005 0.000 0.303 633 G HA3 0.512 4.475 3.960 0.005 0.000 0.303 633 G C -0.739 174.155 174.900 -0.010 0.000 1.242 633 G CA -0.769 44.311 45.100 -0.033 0.000 0.810 633 G HN 0.526 nan 8.290 nan 0.000 0.515 634 T N 1.722 116.282 114.554 0.011 0.000 2.867 634 T HA 0.367 4.720 4.350 0.005 0.000 0.297 634 T C 0.572 175.292 174.700 0.033 0.000 0.989 634 T CA 0.370 62.486 62.100 0.027 0.000 1.159 634 T CB 0.627 69.518 68.868 0.038 0.000 0.928 634 T HN 0.427 nan 8.240 nan 0.000 0.538 635 S N 4.432 120.158 115.700 0.043 0.000 2.443 635 S HA 0.253 4.725 4.470 0.005 0.000 0.284 635 S C 0.326 174.973 174.600 0.078 0.000 1.206 635 S CA -0.502 57.736 58.200 0.063 0.000 1.074 635 S CB -0.189 63.055 63.200 0.074 0.000 0.963 635 S HN 0.414 nan 8.310 nan 0.000 0.501 636 L N 2.314 123.594 121.223 0.095 0.000 2.347 636 L HA 0.579 4.922 4.340 0.005 0.000 0.268 636 L C 0.209 177.167 176.870 0.146 0.000 1.019 636 L CA -1.256 53.653 54.840 0.115 0.000 0.806 636 L CB 0.723 42.855 42.059 0.121 0.000 1.339 636 L HN 0.470 nan 8.230 nan 0.000 0.463 637 M N 2.427 122.118 119.600 0.152 0.000 2.227 637 M HA 0.271 4.754 4.480 0.005 0.000 0.349 637 M C -2.384 174.051 176.300 0.224 0.000 1.443 637 M CA -1.369 54.038 55.300 0.177 0.000 1.110 637 M CB 0.280 32.973 32.600 0.156 0.000 1.773 637 M HN 0.073 nan 8.290 nan 0.000 0.463 638 P HA 0.510 nan 4.420 nan 0.000 0.274 638 P C -1.694 175.794 177.300 0.313 0.000 1.256 638 P CA -0.561 62.743 63.100 0.340 0.000 0.795 638 P CB 0.817 32.785 31.700 0.447 0.000 1.038 639 A N 0.348 123.376 122.820 0.346 0.000 2.435 639 A HA 0.674 4.997 4.320 0.005 0.000 0.304 639 A C -0.612 177.174 177.584 0.337 0.000 1.064 639 A CA -0.639 51.583 52.037 0.308 0.000 0.727 639 A CB 1.229 20.388 19.000 0.264 0.000 1.284 639 A HN 0.369 nan 8.150 nan 0.000 0.415 640 V N 0.050 120.125 119.914 0.268 0.000 2.732 640 V HA 0.555 4.678 4.120 0.005 0.000 0.310 640 V C 0.234 176.461 176.094 0.221 0.000 1.053 640 V CA -1.243 61.195 62.300 0.230 0.000 0.957 640 V CB 1.625 33.566 31.823 0.197 0.000 1.018 640 V HN 0.825 nan 8.190 nan 0.000 0.452 641 N N 4.153 122.984 118.700 0.218 0.000 2.440 641 N HA 0.177 4.920 4.740 0.005 0.000 0.265 641 N C -1.428 174.118 175.510 0.061 0.000 1.239 641 N CA -1.364 51.798 53.050 0.187 0.000 0.909 641 N CB 1.553 40.162 38.487 0.203 0.000 1.066 641 N HN 0.569 nan 8.380 nan 0.000 0.474 642 P HA -0.089 nan 4.420 nan 0.000 0.218 642 P C 0.457 177.460 177.300 -0.495 0.000 1.149 642 P CA 1.438 64.331 63.100 -0.346 0.000 0.817 642 P CB 0.001 31.381 31.700 -0.533 0.000 0.785 643 W N -0.747 120.601 121.300 0.081 0.000 3.220 643 W HA 0.262 4.925 4.660 0.005 0.000 0.328 643 W C -0.124 176.420 176.519 0.042 0.000 1.205 643 W CA -0.184 57.194 57.345 0.056 0.000 1.773 643 W CB 0.569 30.064 29.460 0.058 0.000 1.086 643 W HN -0.379 nan 8.180 nan 0.000 0.622 644 V N 0.856 120.880 119.914 0.183 0.000 2.623 644 V HA 0.621 4.744 4.120 0.005 0.000 0.304 644 V C 0.108 176.214 176.094 0.020 0.000 1.054 644 V CA -1.575 60.788 62.300 0.105 0.000 0.882 644 V CB 0.969 32.849 31.823 0.096 0.000 1.002 644 V HN -0.069 nan 8.190 nan 0.000 0.424 645 A N 2.946 125.766 122.820 -0.000 0.000 2.450 645 A HA 0.606 4.929 4.320 0.005 0.000 0.255 645 A C 1.388 178.693 177.584 -0.465 0.000 1.096 645 A CA 0.674 52.681 52.037 -0.050 0.000 0.778 645 A CB -0.060 19.030 19.000 0.150 0.000 1.031 645 A HN 2.392 nan 8.150 nan 0.000 0.494 646 G N 1.564 109.953 108.800 -0.684 0.000 2.143 646 G HA2 -0.197 3.766 3.960 0.005 0.000 0.249 646 G HA3 -0.197 3.766 3.960 0.005 0.000 0.249 646 G C -0.066 174.392 174.900 -0.737 0.000 0.981 646 G CA 0.451 44.676 45.100 -1.459 0.000 0.665 646 G HN 1.060 nan 8.290 nan 0.000 0.528 647 D N 0.803 120.968 120.400 -0.392 0.000 2.473 647 D HA 0.498 5.141 4.640 0.005 0.000 0.226 647 D C 0.126 176.346 176.300 -0.133 0.000 1.089 647 D CA -0.281 53.575 54.000 -0.239 0.000 0.883 647 D CB 0.945 41.712 40.800 -0.054 0.000 1.029 647 D HN 0.259 nan 8.370 nan 0.000 0.517 648 V N 3.086 122.842 119.914 -0.263 0.000 2.680 648 V HA 0.549 4.672 4.120 0.005 0.000 0.309 648 V C -0.438 175.652 176.094 -0.006 0.000 1.052 648 V CA -0.998 61.231 62.300 -0.120 0.000 0.908 648 V CB 1.613 33.263 31.823 -0.288 0.000 1.001 648 V HN 0.365 nan 8.190 nan 0.000 0.431 649 W N 2.177 123.619 121.300 0.237 0.000 2.551 649 W HA 0.768 5.431 4.660 0.004 0.000 0.330 649 W C -0.665 176.027 176.519 0.288 0.000 1.063 649 W CA -0.679 56.834 57.345 0.280 0.000 1.222 649 W CB 1.868 31.425 29.460 0.161 0.000 1.349 649 W HN 0.325 nan 8.180 nan 0.000 0.536 650 V N 4.826 125.034 119.914 0.491 0.000 2.524 650 V HA 0.399 4.522 4.120 0.005 0.000 0.297 650 V C -2.294 173.987 176.094 0.312 0.000 1.035 650 V CA -2.074 60.393 62.300 0.279 0.000 0.867 650 V CB 2.109 33.893 31.823 -0.064 0.000 1.004 650 V HN 0.275 nan 8.190 nan 0.000 0.426 651 P HA 0.432 nan 4.420 nan 0.000 0.297 651 P C -1.016 176.395 177.300 0.184 0.000 1.319 651 P CA -0.480 62.775 63.100 0.259 0.000 0.810 651 P CB 1.848 33.673 31.700 0.208 0.000 0.947 652 V N 6.895 126.936 119.914 0.212 0.000 2.349 652 V HA 0.210 4.333 4.120 0.005 0.000 0.284 652 V C -1.529 174.645 176.094 0.133 0.000 1.014 652 V CA -1.730 60.638 62.300 0.113 0.000 0.826 652 V CB 1.564 33.382 31.823 -0.008 0.000 1.009 652 V HN 0.362 nan 8.190 nan 0.000 0.431 653 P HA -0.111 nan 4.420 nan 0.000 0.218 653 P C 0.997 178.341 177.300 0.072 0.000 1.148 653 P CA 1.108 64.255 63.100 0.079 0.000 0.822 653 P CB 0.431 32.170 31.700 0.065 0.000 0.784 654 E N -1.701 118.539 120.200 0.067 0.000 2.489 654 E HA 0.151 4.504 4.350 0.005 0.000 0.193 654 E C 1.735 178.390 176.600 0.090 0.000 1.057 654 E CA 0.779 57.215 56.400 0.060 0.000 0.866 654 E CB -0.500 29.223 29.700 0.038 0.000 0.916 654 E HN 0.271 nan 8.360 nan 0.000 0.500 655 G N -0.889 108.003 108.800 0.153 0.000 2.799 655 G HA2 0.483 4.446 3.960 0.005 0.000 0.201 655 G HA3 0.483 4.446 3.960 0.005 0.000 0.201 655 G C 0.611 175.750 174.900 0.399 0.000 1.142 655 G CA 0.047 45.312 45.100 0.275 0.000 0.910 655 G HN 0.453 nan 8.290 nan 0.000 0.710 656 G N -0.529 108.474 108.800 0.338 0.000 2.362 656 G HA2 0.269 4.232 3.960 0.005 0.000 0.517 656 G HA3 0.269 4.232 3.960 0.005 0.000 0.517 656 G C -1.509 173.541 174.900 0.250 0.000 1.256 656 G CA -0.319 44.879 45.100 0.164 0.000 1.027 656 G HN 0.969 nan 8.290 nan 0.000 0.491 657 L N 0.407 121.665 121.223 0.058 0.000 2.264 657 L HA 0.853 5.196 4.340 0.005 0.000 0.289 657 L C -0.800 176.130 176.870 0.100 0.000 1.044 657 L CA -0.789 54.187 54.840 0.226 0.000 0.807 657 L CB 0.373 42.586 42.059 0.255 0.000 1.192 657 L HN 0.445 nan 8.230 nan 0.000 0.425 658 F N 4.078 124.194 119.950 0.276 0.000 2.508 658 F HA 0.469 4.999 4.527 0.004 0.000 0.325 658 F C -0.030 175.954 175.800 0.307 0.000 1.090 658 F CA -0.533 57.606 58.000 0.232 0.000 0.945 658 F CB 1.458 40.485 39.000 0.046 0.000 1.156 658 F HN 0.483 nan 8.300 nan 0.000 0.463 659 H N 0.882 120.021 119.070 0.115 0.000 2.667 659 H HA 0.459 5.017 4.556 0.005 0.000 0.353 659 H C -1.429 173.608 175.328 -0.485 0.000 1.072 659 H CA -0.546 55.215 56.048 -0.479 0.000 1.214 659 H CB 1.937 31.013 29.762 -1.143 0.000 1.600 659 H HN 0.619 nan 8.280 nan 0.000 0.527 660 S N 2.643 117.788 115.700 -0.925 0.000 2.473 660 S HA 0.161 4.634 4.470 0.005 0.000 0.307 660 S C 0.658 174.691 174.600 -0.945 0.000 1.094 660 S CA -0.329 57.163 58.200 -1.181 0.000 1.070 660 S CB 1.119 63.176 63.200 -1.906 0.000 1.019 660 S HN 0.803 nan 8.310 nan 0.000 0.480 661 T N 0.105 114.207 114.554 -0.753 0.000 3.092 661 T HA 0.216 4.568 4.350 0.005 0.000 0.258 661 T C -0.014 174.437 174.700 -0.414 0.000 1.031 661 T CA -0.103 61.661 62.100 -0.559 0.000 0.925 661 T CB -0.330 68.267 68.868 -0.452 0.000 1.036 661 T HN 0.639 nan 8.240 nan 0.000 0.544 662 D N 0.430 120.606 120.400 -0.374 0.000 2.788 662 D HA 0.212 4.855 4.640 0.005 0.000 0.289 662 D C -0.059 176.319 176.300 0.131 0.000 1.340 662 D CA -1.366 52.575 54.000 -0.099 0.000 0.831 662 D CB -1.205 39.564 40.800 -0.051 0.000 1.103 662 D HN 0.263 nan 8.370 nan 0.000 0.476 663 F N 0.406 120.309 119.950 -0.079 0.000 3.058 663 F HA -0.098 4.432 4.527 0.005 0.000 0.295 663 F C 1.687 177.602 175.800 0.192 0.000 0.875 663 F CA 0.553 58.645 58.000 0.153 0.000 1.150 663 F CB -1.664 37.464 39.000 0.214 0.000 1.175 663 F HN 0.450 nan 8.300 nan 0.000 0.599 664 G N -1.141 107.598 108.800 -0.102 0.000 2.162 664 G HA2 -0.129 3.834 3.960 0.005 0.000 0.260 664 G HA3 -0.129 3.834 3.960 0.005 0.000 0.260 664 G C 1.117 176.016 174.900 -0.002 0.000 0.976 664 G CA 0.693 45.658 45.100 -0.224 0.000 0.655 664 G HN 1.482 nan 8.290 nan 0.000 0.533 665 A N -0.414 122.418 122.820 0.020 0.000 1.930 665 A HA 0.505 4.828 4.320 0.005 0.000 0.217 665 A C 1.656 179.242 177.584 0.004 0.000 1.175 665 A CA 2.329 54.407 52.037 0.069 0.000 0.627 665 A CB -0.127 18.915 19.000 0.070 0.000 0.815 665 A HN 2.128 nan 8.150 nan 0.000 0.443 666 S N -1.529 114.083 115.700 -0.146 0.000 2.571 666 S HA 0.725 5.198 4.470 0.005 0.000 0.284 666 S C -1.076 173.332 174.600 -0.320 0.000 1.128 666 S CA -0.703 57.425 58.200 -0.121 0.000 0.970 666 S CB 0.924 64.073 63.200 -0.086 0.000 1.039 666 S HN 0.123 nan 8.310 nan 0.000 0.485 667 F N 1.545 121.428 119.950 -0.113 0.000 2.561 667 F HA 0.738 5.269 4.527 0.005 0.000 0.321 667 F C 0.739 176.550 175.800 0.019 0.000 1.065 667 F CA -0.377 57.572 58.000 -0.084 0.000 0.934 667 F CB 2.627 41.596 39.000 -0.052 0.000 1.215 667 F HN 0.774 nan 8.300 nan 0.000 0.471 668 T N 1.348 116.022 114.554 0.200 0.000 2.893 668 T HA 0.444 4.797 4.350 0.005 0.000 0.291 668 T C -0.670 174.060 174.700 0.049 0.000 1.028 668 T CA -0.951 61.230 62.100 0.135 0.000 0.995 668 T CB 1.616 70.490 68.868 0.010 0.000 1.051 668 T HN 0.778 nan 8.240 nan 0.000 0.470 669 R N 2.054 122.441 120.500 -0.188 0.000 2.539 669 R HA 0.585 4.928 4.340 0.005 0.000 0.275 669 R C -0.558 175.582 176.300 -0.267 0.000 1.077 669 R CA -0.489 55.182 56.100 -0.714 0.000 1.097 669 R CB 0.640 30.450 30.300 -0.816 0.000 1.018 669 R HN 0.655 nan 8.270 nan 0.000 0.483 670 V N 2.326 122.136 119.914 -0.173 0.000 2.709 670 V HA 0.708 4.831 4.120 0.005 0.000 0.308 670 V C 0.330 176.475 176.094 0.084 0.000 1.062 670 V CA 0.412 62.729 62.300 0.029 0.000 0.901 670 V CB 0.990 32.919 31.823 0.176 0.000 1.003 670 V HN 1.199 nan 8.190 nan 0.000 0.425 671 G N 4.973 113.821 108.800 0.080 0.000 2.581 671 G HA2 -0.266 3.697 3.960 0.005 0.000 0.291 671 G HA3 -0.266 3.697 3.960 0.005 0.000 0.291 671 G C 0.720 175.661 174.900 0.069 0.000 1.277 671 G CA 1.072 46.238 45.100 0.110 0.000 0.959 671 G HN 2.399 nan 8.290 nan 0.000 0.554 672 T N -1.718 112.890 114.554 0.089 0.000 3.044 672 T HA 0.690 5.043 4.350 0.005 0.000 0.260 672 T C 0.974 175.627 174.700 -0.079 0.000 1.019 672 T CA 1.299 63.398 62.100 -0.000 0.000 0.921 672 T CB 0.362 69.223 68.868 -0.011 0.000 1.053 672 T HN 2.000 nan 8.240 nan 0.000 0.533 673 A N 1.951 124.723 122.820 -0.081 0.000 2.445 673 A HA 0.573 4.896 4.320 0.005 0.000 0.242 673 A C 0.179 177.641 177.584 -0.203 0.000 1.075 673 A CA -0.421 51.427 52.037 -0.314 0.000 0.777 673 A CB -0.040 18.674 19.000 -0.476 0.000 1.013 673 A HN 0.373 nan 8.150 nan 0.000 0.493 674 N N 0.233 118.782 118.700 -0.252 0.000 2.540 674 N HA 0.563 5.306 4.740 0.005 0.000 0.275 674 N C -0.915 174.514 175.510 -0.135 0.000 1.053 674 N CA 0.225 53.198 53.050 -0.129 0.000 0.876 674 N CB 1.491 39.922 38.487 -0.094 0.000 1.284 674 N HN 0.830 nan 8.380 nan 0.000 0.518 675 A N 1.577 124.361 122.820 -0.059 0.000 2.340 675 A HA 0.581 4.904 4.320 0.005 0.000 0.331 675 A C 0.922 178.555 177.584 0.082 0.000 1.140 675 A CA -0.426 51.599 52.037 -0.020 0.000 0.801 675 A CB 0.684 19.673 19.000 -0.019 0.000 1.234 675 A HN 0.631 nan 8.150 nan 0.000 0.469 676 T N -0.534 114.109 114.554 0.149 0.000 3.014 676 T HA 0.412 4.765 4.350 0.005 0.000 0.250 676 T C 0.206 175.027 174.700 0.201 0.000 1.060 676 T CA 0.398 62.611 62.100 0.189 0.000 1.040 676 T CB -0.463 68.541 68.868 0.227 0.000 0.971 676 T HN 0.378 nan 8.240 nan 0.000 0.497 677 L N 1.025 122.390 121.223 0.236 0.000 2.422 677 L HA 0.850 5.193 4.340 0.005 0.000 0.264 677 L C -1.163 175.826 176.870 0.198 0.000 0.984 677 L CA -1.249 53.715 54.840 0.207 0.000 0.819 677 L CB 2.794 44.973 42.059 0.200 0.000 1.330 677 L HN -0.069 nan 8.230 nan 0.000 0.410 678 V N 1.096 121.117 119.914 0.177 0.000 2.962 678 V HA 0.886 5.009 4.120 0.005 0.000 0.313 678 V C -1.154 175.033 176.094 0.154 0.000 1.099 678 V CA -0.039 62.349 62.300 0.148 0.000 0.971 678 V CB 2.457 34.352 31.823 0.120 0.000 1.028 678 V HN 0.826 nan 8.190 nan 0.000 0.430 679 S N 3.473 119.260 115.700 0.145 0.000 2.548 679 S HA 0.705 5.178 4.470 0.005 0.000 0.278 679 S C -1.700 173.012 174.600 0.187 0.000 1.150 679 S CA -0.407 57.888 58.200 0.159 0.000 0.907 679 S CB 1.681 64.967 63.200 0.144 0.000 1.108 679 S HN 0.966 nan 8.310 nan 0.000 0.459 680 V N 4.120 124.138 119.914 0.173 0.000 2.459 680 V HA 0.823 4.946 4.120 0.005 0.000 0.295 680 V C 1.132 177.374 176.094 0.247 0.000 1.029 680 V CA 0.132 62.553 62.300 0.201 0.000 0.874 680 V CB 1.087 33.019 31.823 0.181 0.000 0.985 680 V HN 1.026 nan 8.190 nan 0.000 0.438 681 G N 2.295 111.305 108.800 0.350 0.000 3.175 681 G HA2 0.737 4.700 3.960 0.005 0.000 0.153 681 G HA3 0.737 4.700 3.960 0.005 0.000 0.153 681 G C -0.172 174.986 174.900 0.430 0.000 1.216 681 G CA -0.109 45.204 45.100 0.356 0.000 0.943 681 G HN 1.011 nan 8.290 nan 0.000 0.611 682 A N 0.757 123.845 122.820 0.447 0.000 2.322 682 A HA 0.720 5.043 4.320 0.005 0.000 0.269 682 A C -2.150 175.675 177.584 0.402 0.000 1.094 682 A CA -1.031 51.273 52.037 0.446 0.000 0.807 682 A CB 0.495 19.724 19.000 0.383 0.000 1.047 682 A HN 0.403 nan 8.150 nan 0.000 0.487 683 P HA 0.226 nan 4.420 nan 0.000 0.276 683 P C -0.273 176.964 177.300 -0.105 0.000 1.252 683 P CA -0.546 62.611 63.100 0.095 0.000 0.802 683 P CB 0.654 32.345 31.700 -0.016 0.000 1.035 695 P HA 0.429 nan 4.420 nan 0.000 0.275 695 P C 0.009 177.369 177.300 0.101 0.000 1.228 695 P CA -0.057 63.084 63.100 0.069 0.000 0.786 695 P CB 0.755 32.499 31.700 0.074 0.000 0.927 696 S N 0.860 116.660 115.700 0.168 0.000 2.626 696 S HA 0.199 4.672 4.470 0.005 0.000 0.303 696 S C 0.720 175.419 174.600 0.166 0.000 1.256 696 S CA -0.158 58.183 58.200 0.234 0.000 1.069 696 S CB -0.313 63.072 63.200 0.309 0.000 0.807 696 S HN 0.686 nan 8.310 nan 0.000 0.500 697 A N 4.032 126.961 122.820 0.182 0.000 2.462 697 A HA 0.417 4.740 4.320 0.005 0.000 0.243 697 A C 0.008 177.553 177.584 -0.065 0.000 1.076 697 A CA -0.439 51.607 52.037 0.015 0.000 0.773 697 A CB 0.152 19.153 19.000 0.001 0.000 1.010 697 A HN 0.654 nan 8.150 nan 0.000 0.493 698 V N 3.003 122.744 119.914 -0.289 0.000 2.384 698 V HA 0.428 4.551 4.120 0.005 0.000 0.287 698 V C -0.817 175.142 176.094 -0.226 0.000 1.020 698 V CA -0.185 61.948 62.300 -0.279 0.000 0.850 698 V CB 0.555 32.024 31.823 -0.590 0.000 0.987 698 V HN 0.656 nan 8.190 nan 0.000 0.436 699 F N 5.578 125.552 119.950 0.040 0.000 2.443 699 F HA 0.754 5.284 4.527 0.005 0.000 0.335 699 F C 0.265 176.144 175.800 0.132 0.000 1.104 699 F CA -0.750 57.332 58.000 0.137 0.000 1.013 699 F CB 1.593 40.647 39.000 0.089 0.000 1.136 699 F HN 0.455 nan 8.300 nan 0.000 0.470 700 I N -0.529 120.236 120.570 0.325 0.000 2.828 700 I HA 0.508 4.681 4.170 0.005 0.000 0.302 700 I C -1.684 174.591 176.117 0.263 0.000 1.101 700 I CA -0.883 60.525 61.300 0.180 0.000 1.031 700 I CB 2.776 40.705 38.000 -0.118 0.000 1.231 700 I HN 0.687 nan 8.210 nan 0.000 0.427 701 W N 6.264 127.605 121.300 0.069 0.000 2.329 701 W HA 0.671 5.334 4.660 0.005 0.000 0.312 701 W C -0.302 176.243 176.519 0.043 0.000 1.054 701 W CA 0.332 57.718 57.345 0.068 0.000 1.245 701 W CB 1.425 30.925 29.460 0.066 0.000 1.255 701 W HN 1.070 nan 8.180 nan 0.000 0.436 702 G N 2.873 111.371 108.800 -0.503 0.000 2.513 702 G HA2 0.194 4.157 3.960 0.005 0.000 0.182 702 G HA3 0.194 4.157 3.960 0.005 0.000 0.182 702 G C -0.915 173.806 174.900 -0.297 0.000 1.190 702 G CA -0.050 44.841 45.100 -0.349 0.000 0.987 702 G HN 0.508 nan 8.290 nan 0.000 0.479 703 T N -1.453 112.914 114.554 -0.311 0.000 2.908 703 T HA 0.586 4.939 4.350 0.005 0.000 0.290 703 T C 0.435 174.704 174.700 -0.718 0.000 1.034 703 T CA 0.530 62.392 62.100 -0.396 0.000 1.010 703 T CB 2.251 70.968 68.868 -0.251 0.000 1.068 703 T HN 0.711 nan 8.240 nan 0.000 0.481 704 D N 0.633 120.429 120.400 -1.006 0.000 2.305 704 D HA 0.055 4.698 4.640 0.005 0.000 0.206 704 D C 0.349 176.357 176.300 -0.486 0.000 0.974 704 D CA 0.320 53.702 54.000 -1.031 0.000 0.871 704 D CB 0.157 40.275 40.800 -1.137 0.000 0.947 704 D HN 0.860 nan 8.370 nan 0.000 0.516 705 K N -0.696 119.502 120.400 -0.336 0.000 2.578 705 K HA 0.477 4.800 4.320 0.005 0.000 0.269 705 K C -3.328 173.188 176.600 -0.140 0.000 0.941 705 K CA -1.858 54.324 56.287 -0.175 0.000 0.847 705 K CB 1.159 33.596 32.500 -0.105 0.000 1.397 705 K HN -0.357 nan 8.250 nan 0.000 0.422 706 P HA -0.011 nan 4.420 nan 0.000 0.260 706 P C 0.641 177.907 177.300 -0.058 0.000 1.172 706 P CA 1.611 64.670 63.100 -0.068 0.000 0.760 706 P CB 0.543 32.217 31.700 -0.043 0.000 0.773 707 G N 1.891 110.660 108.800 -0.053 0.000 2.376 707 G HA2 -0.209 3.754 3.960 0.005 0.000 0.208 707 G HA3 -0.209 3.754 3.960 0.005 0.000 0.208 707 G C 0.404 175.283 174.900 -0.036 0.000 1.032 707 G CA 0.168 45.246 45.100 -0.037 0.000 0.641 707 G HN 0.746 nan 8.290 nan 0.000 0.503 708 S N 1.147 116.814 115.700 -0.054 0.000 2.655 708 S HA 0.586 5.059 4.470 0.005 0.000 0.265 708 S C -0.191 174.397 174.600 -0.020 0.000 1.240 708 S CA -0.146 58.037 58.200 -0.029 0.000 0.986 708 S CB 1.340 64.520 63.200 -0.034 0.000 0.985 708 S HN 0.257 nan 8.310 nan 0.000 0.562 709 D N 0.266 120.680 120.400 0.022 0.000 2.368 709 D HA 0.260 4.903 4.640 0.005 0.000 0.240 709 D C 0.122 176.396 176.300 -0.042 0.000 1.169 709 D CA -0.033 53.964 54.000 -0.006 0.000 0.906 709 D CB 0.172 40.967 40.800 -0.009 0.000 1.187 709 D HN 0.480 nan 8.370 nan 0.000 0.435 710 I N 0.886 121.383 120.570 -0.122 0.000 2.496 710 I HA 0.402 4.575 4.170 0.005 0.000 0.285 710 I C 1.238 177.027 176.117 -0.547 0.000 1.080 710 I CA 0.628 61.753 61.300 -0.293 0.000 1.404 710 I CB 0.593 38.477 38.000 -0.193 0.000 1.403 710 I HN 0.409 nan 8.210 nan 0.000 0.539 711 G N 5.590 113.803 108.800 -0.978 0.000 2.341 711 G HA2 0.356 4.319 3.960 0.005 0.000 0.299 711 G HA3 0.356 4.319 3.960 0.005 0.000 0.299 711 G C -2.073 172.177 174.900 -1.083 0.000 1.274 711 G CA -0.810 43.537 45.100 -1.255 0.000 0.853 711 G HN 0.323 nan 8.290 nan 0.000 0.493 712 L N 0.858 121.754 121.223 -0.546 0.000 2.264 712 L HA 0.785 5.128 4.340 0.005 0.000 0.289 712 L C -1.366 175.269 176.870 -0.392 0.000 1.044 712 L CA -1.112 53.673 54.840 -0.092 0.000 0.807 712 L CB 0.063 42.259 42.059 0.229 0.000 1.192 712 L HN 0.470 nan 8.230 nan 0.000 0.425 713 Y N 4.257 124.595 120.300 0.063 0.000 2.485 713 Y HA 0.630 5.183 4.550 0.005 0.000 0.345 713 Y C -0.016 176.019 175.900 0.224 0.000 0.998 713 Y CA -0.758 57.411 58.100 0.114 0.000 1.059 713 Y CB 1.737 40.197 38.460 -0.001 0.000 1.234 713 Y HN 0.472 nan 8.280 nan 0.000 0.461 714 R N 1.411 122.096 120.500 0.307 0.000 2.562 714 R HA 0.648 4.991 4.340 0.005 0.000 0.298 714 R C -1.202 175.056 176.300 -0.070 0.000 0.961 714 R CA -0.468 55.565 56.100 -0.112 0.000 0.881 714 R CB 1.754 31.775 30.300 -0.466 0.000 1.159 714 R HN 0.712 nan 8.270 nan 0.000 0.450 715 S N 1.781 117.227 115.700 -0.423 0.000 2.472 715 S HA 0.256 4.729 4.470 0.005 0.000 0.303 715 S C -0.404 173.933 174.600 -0.439 0.000 1.099 715 S CA -0.679 57.091 58.200 -0.717 0.000 1.077 715 S CB 1.357 63.608 63.200 -1.580 0.000 1.031 715 S HN 0.683 nan 8.310 nan 0.000 0.487 716 D N 2.461 122.686 120.400 -0.291 0.000 2.402 716 D HA 0.146 4.789 4.640 0.005 0.000 0.216 716 D C -0.321 175.901 176.300 -0.131 0.000 1.128 716 D CA 0.257 54.174 54.000 -0.138 0.000 0.833 716 D CB 0.493 41.268 40.800 -0.042 0.000 0.971 716 D HN 0.756 nan 8.370 nan 0.000 0.503 717 D N -1.024 119.254 120.400 -0.204 0.000 2.865 717 D HA 0.036 4.679 4.640 0.005 0.000 0.347 717 D C 0.060 176.298 176.300 -0.103 0.000 1.498 717 D CA -0.523 53.399 54.000 -0.130 0.000 0.787 717 D CB -0.437 40.288 40.800 -0.126 0.000 1.190 717 D HN -0.307 nan 8.370 nan 0.000 0.445 718 N N 0.587 119.241 118.700 -0.077 0.000 2.747 718 N HA -0.148 4.595 4.740 0.005 0.000 0.249 718 N C 1.037 176.648 175.510 0.168 0.000 1.107 718 N CA 1.508 54.641 53.050 0.137 0.000 0.707 718 N CB -1.206 37.422 38.487 0.235 0.000 1.054 718 N HN 0.890 nan 8.380 nan 0.000 0.555 719 G N -2.895 105.755 108.800 -0.251 0.000 2.163 719 G HA2 -0.281 3.682 3.960 0.005 0.000 0.213 719 G HA3 -0.281 3.682 3.960 0.005 0.000 0.213 719 G C 0.938 175.724 174.900 -0.191 0.000 0.991 719 G CA 0.608 45.543 45.100 -0.275 0.000 0.653 719 G HN 0.428 nan 8.290 nan 0.000 0.518 720 S N -0.322 115.233 115.700 -0.243 0.000 2.371 720 S HA 0.232 4.705 4.470 0.005 0.000 0.221 720 S C 1.358 175.847 174.600 -0.185 0.000 1.036 720 S CA 1.708 59.834 58.200 -0.123 0.000 0.965 720 S CB 0.099 63.253 63.200 -0.078 0.000 0.845 720 S HN 1.426 nan 8.310 nan 0.000 0.475 721 T N -1.431 112.893 114.554 -0.382 0.000 2.924 721 T HA 0.689 5.042 4.350 0.005 0.000 0.291 721 T C -1.546 172.791 174.700 -0.606 0.000 1.045 721 T CA -0.858 61.064 62.100 -0.297 0.000 1.015 721 T CB 1.425 70.209 68.868 -0.141 0.000 1.103 721 T HN 0.345 nan 8.240 nan 0.000 0.496 722 W N 0.166 121.440 121.300 -0.043 0.000 2.998 722 W HA 0.576 5.239 4.660 0.005 0.000 0.335 722 W C -0.303 176.254 176.519 0.063 0.000 1.110 722 W CA -0.745 56.586 57.345 -0.023 0.000 1.230 722 W CB 2.321 31.706 29.460 -0.125 0.000 1.405 722 W HN 0.830 nan 8.180 nan 0.000 0.493 723 T N 2.570 117.313 114.554 0.314 0.000 2.794 723 T HA 0.451 4.804 4.350 0.005 0.000 0.280 723 T C -0.310 174.599 174.700 0.349 0.000 0.987 723 T CA -0.721 61.549 62.100 0.283 0.000 0.993 723 T CB 0.524 69.499 68.868 0.178 0.000 0.939 723 T HN 0.382 nan 8.240 nan 0.000 0.449 724 R N 4.083 124.755 120.500 0.287 0.000 2.421 724 R HA 0.238 4.581 4.340 0.005 0.000 0.305 724 R C 0.710 177.012 176.300 0.003 0.000 1.039 724 R CA 0.271 56.382 56.100 0.019 0.000 1.003 724 R CB -0.315 29.989 30.300 0.006 0.000 0.959 724 R HN 0.556 nan 8.270 nan 0.000 0.427 725 V N 4.014 123.854 119.914 -0.123 0.000 2.426 725 V HA -0.031 4.092 4.120 0.005 0.000 0.242 725 V C 1.089 177.169 176.094 -0.023 0.000 1.036 725 V CA 1.451 63.632 62.300 -0.198 0.000 1.044 725 V CB -0.761 30.852 31.823 -0.351 0.000 0.688 725 V HN 0.887 nan 8.190 nan 0.000 0.462 726 N N 1.442 120.159 118.700 0.029 0.000 2.717 726 N HA 0.312 5.055 4.740 0.005 0.000 0.314 726 N C -0.868 174.618 175.510 -0.039 0.000 1.324 726 N CA 0.060 53.152 53.050 0.071 0.000 0.902 726 N CB 1.267 39.823 38.487 0.115 0.000 1.126 726 N HN 0.425 nan 8.380 nan 0.000 0.579 727 D N -3.727 116.647 120.400 -0.044 0.000 2.851 727 D HA 0.074 4.717 4.640 0.005 0.000 0.339 727 D C 0.174 176.470 176.300 -0.008 0.000 1.347 727 D CA -0.470 53.527 54.000 -0.005 0.000 0.888 727 D CB 0.279 41.105 40.800 0.044 0.000 1.431 727 D HN 0.565 nan 8.370 nan 0.000 0.509 728 Q N -0.840 118.957 119.800 -0.005 0.000 2.297 728 Q HA 0.039 4.382 4.340 0.005 0.000 0.204 728 Q C 0.479 176.460 176.000 -0.033 0.000 0.962 728 Q CA 1.249 57.050 55.803 -0.004 0.000 0.879 728 Q CB -0.219 28.524 28.738 0.008 0.000 0.947 728 Q HN 0.414 nan 8.270 nan 0.000 0.462 729 E N 0.188 120.322 120.200 -0.110 0.000 2.479 729 E HA 0.032 4.385 4.350 0.005 0.000 0.193 729 E C -0.472 175.691 176.600 -0.729 0.000 1.049 729 E CA 0.314 56.543 56.400 -0.284 0.000 0.870 729 E CB 0.423 29.955 29.700 -0.281 0.000 0.944 729 E HN 0.501 nan 8.360 nan 0.000 0.492 730 H N -0.545 118.252 119.070 -0.456 0.000 2.471 730 H HA 0.328 4.887 4.556 0.005 0.000 0.234 730 H C 0.360 175.343 175.328 -0.576 0.000 1.388 730 H CA -0.253 55.295 56.048 -0.834 0.000 1.198 730 H CB 0.266 29.415 29.762 -1.023 0.000 1.714 730 H HN -0.048 nan 8.280 nan 0.000 0.536 731 N N 0.082 118.501 118.700 -0.467 0.000 2.499 731 N HA -0.049 4.694 4.740 0.005 0.000 0.182 731 N C -0.044 175.473 175.510 0.012 0.000 1.034 731 N CA 0.387 53.405 53.050 -0.054 0.000 0.882 731 N CB 0.362 38.864 38.487 0.025 0.000 1.125 731 N HN 0.433 nan 8.380 nan 0.000 0.436 732 Y N 0.670 120.931 120.300 -0.065 0.000 4.409 732 Y HA -0.323 4.230 4.550 0.005 0.000 0.228 732 Y C 1.035 176.881 175.900 -0.089 0.000 1.108 732 Y CA 0.760 58.808 58.100 -0.088 0.000 1.955 732 Y CB -2.478 35.952 38.460 -0.051 0.000 1.615 732 Y HN 0.257 nan 8.280 nan 0.000 0.665 733 S N -2.752 112.955 115.700 0.011 0.000 2.929 733 S HA -0.055 4.418 4.470 0.005 0.000 0.271 733 S C 0.930 175.524 174.600 -0.008 0.000 1.295 733 S CA 1.164 59.368 58.200 0.008 0.000 1.277 733 S CB -1.862 61.330 63.200 -0.014 0.000 1.557 733 S HN 2.552 nan 8.310 nan 0.000 0.666 734 G N 0.295 109.063 108.800 -0.054 0.000 2.719 734 G HA2 0.211 4.174 3.960 0.005 0.000 0.686 734 G HA3 0.211 4.174 3.960 0.005 0.000 0.686 734 G C -2.484 172.190 174.900 -0.377 0.000 1.201 734 G CA -0.328 44.588 45.100 -0.306 0.000 0.768 734 G HN 0.873 nan 8.290 nan 0.000 0.629 735 P HA 0.244 nan 4.420 nan 0.000 0.280 735 P C 1.112 178.233 177.300 -0.298 0.000 1.244 735 P CA 0.442 63.285 63.100 -0.429 0.000 0.784 735 P CB 1.352 32.749 31.700 -0.505 0.000 0.913 736 T N -0.021 114.443 114.554 -0.149 0.000 2.978 736 T HA 0.100 4.453 4.350 0.005 0.000 0.262 736 T C 1.050 175.720 174.700 -0.050 0.000 1.063 736 T CA 0.543 62.596 62.100 -0.080 0.000 1.140 736 T CB -0.256 68.595 68.868 -0.029 0.000 0.886 736 T HN 0.538 nan 8.240 nan 0.000 0.470 737 M N 0.899 120.470 119.600 -0.047 0.000 2.575 737 M HA 0.686 5.169 4.480 0.005 0.000 0.284 737 M C -1.390 174.903 176.300 -0.011 0.000 1.253 737 M CA -1.506 53.788 55.300 -0.010 0.000 0.861 737 M CB 2.474 35.090 32.600 0.027 0.000 1.733 737 M HN 0.191 nan 8.290 nan 0.000 0.462 738 I N -0.621 119.969 120.570 0.032 0.000 2.648 738 I HA 0.897 5.070 4.170 0.005 0.000 0.304 738 I C -1.191 174.965 176.117 0.065 0.000 1.009 738 I CA -0.477 60.852 61.300 0.048 0.000 1.114 738 I CB 2.179 40.229 38.000 0.084 0.000 1.293 738 I HN 0.904 nan 8.210 nan 0.000 0.449 739 E N 4.155 124.392 120.200 0.062 0.000 2.361 739 E HA 0.625 4.978 4.350 0.005 0.000 0.270 739 E C -1.256 175.385 176.600 0.069 0.000 0.911 739 E CA -0.466 55.987 56.400 0.088 0.000 0.818 739 E CB 1.637 31.396 29.700 0.099 0.000 1.332 739 E HN 0.948 nan 8.360 nan 0.000 0.402 740 A N 3.967 126.771 122.820 -0.027 0.000 2.388 740 A HA 0.291 4.614 4.320 0.005 0.000 0.257 740 A C -0.052 177.564 177.584 0.053 0.000 1.095 740 A CA -0.333 51.609 52.037 -0.157 0.000 0.791 740 A CB 0.440 19.395 19.000 -0.074 0.000 1.029 740 A HN 0.669 nan 8.150 nan 0.000 0.489 741 D N 2.798 123.222 120.400 0.041 0.000 2.336 741 D HA 0.253 4.896 4.640 0.005 0.000 0.249 741 D C -1.692 174.727 176.300 0.198 0.000 1.213 741 D CA -1.631 52.477 54.000 0.179 0.000 0.870 741 D CB 1.250 42.139 40.800 0.148 0.000 1.076 741 D HN 0.141 nan 8.370 nan 0.000 0.483 742 P HA -0.081 nan 4.420 nan 0.000 0.223 742 P C 0.612 178.218 177.300 0.511 0.000 1.144 742 P CA 1.135 64.433 63.100 0.330 0.000 0.783 742 P CB 0.377 32.113 31.700 0.060 0.000 0.771 743 K N -1.653 118.948 120.400 0.335 0.000 2.334 743 K HA 0.163 4.486 4.320 0.005 0.000 0.195 743 K C 0.047 176.772 176.600 0.209 0.000 1.045 743 K CA 0.340 56.803 56.287 0.293 0.000 1.004 743 K CB 0.649 33.281 32.500 0.219 0.000 0.837 743 K HN -0.060 nan 8.250 nan 0.000 0.510 744 V N 1.617 121.647 119.914 0.192 0.000 2.483 744 V HA 0.147 4.270 4.120 0.005 0.000 0.297 744 V C -1.008 175.194 176.094 0.180 0.000 1.027 744 V CA -1.163 61.227 62.300 0.150 0.000 0.855 744 V CB 1.033 32.905 31.823 0.082 0.000 0.995 744 V HN 0.136 nan 8.190 nan 0.000 0.424 745 Y N 4.141 124.494 120.300 0.089 0.000 2.632 745 Y HA 0.406 4.959 4.550 0.005 0.000 0.329 745 Y C 1.340 177.313 175.900 0.121 0.000 1.174 745 Y CA 1.786 59.950 58.100 0.105 0.000 1.469 745 Y CB 0.717 39.208 38.460 0.051 0.000 1.242 745 Y HN 0.987 nan 8.280 nan 0.000 0.540 746 G N 4.528 112.954 108.800 -0.624 0.000 2.217 746 G HA2 -0.316 3.647 3.960 0.005 0.000 0.246 746 G HA3 -0.316 3.647 3.960 0.005 0.000 0.246 746 G C 0.304 175.276 174.900 0.121 0.000 0.990 746 G CA 0.051 44.911 45.100 -0.401 0.000 0.627 746 G HN 0.758 nan 8.290 nan 0.000 0.522 747 R N 0.682 121.159 120.500 -0.039 0.000 2.234 747 R HA 0.541 4.884 4.340 0.005 0.000 0.324 747 R C -0.004 175.952 176.300 -0.574 0.000 1.054 747 R CA -0.022 55.943 56.100 -0.224 0.000 0.912 747 R CB 0.739 30.906 30.300 -0.220 0.000 1.030 747 R HN 0.320 nan 8.270 nan 0.000 0.455 748 V N 3.475 122.974 119.914 -0.691 0.000 2.555 748 V HA 0.441 4.564 4.120 0.005 0.000 0.302 748 V C -0.959 174.796 176.094 -0.565 0.000 1.038 748 V CA -1.159 60.690 62.300 -0.752 0.000 0.887 748 V CB 1.268 32.669 31.823 -0.704 0.000 0.991 748 V HN 0.578 nan 8.190 nan 0.000 0.434 749 Y N 3.626 123.819 120.300 -0.177 0.000 2.342 749 Y HA 0.722 5.275 4.550 0.005 0.000 0.334 749 Y C 0.138 175.984 175.900 -0.089 0.000 1.067 749 Y CA -0.950 57.095 58.100 -0.092 0.000 1.128 749 Y CB 1.561 39.965 38.460 -0.093 0.000 1.200 749 Y HN 0.502 nan 8.280 nan 0.000 0.464 750 L N 3.111 124.376 121.223 0.070 0.000 2.298 750 L HA 0.624 4.967 4.340 0.005 0.000 0.284 750 L C 0.508 177.365 176.870 -0.022 0.000 1.013 750 L CA -0.961 53.876 54.840 -0.004 0.000 0.824 750 L CB 1.296 43.332 42.059 -0.039 0.000 1.221 750 L HN 0.816 nan 8.230 nan 0.000 0.418 751 G N 1.587 110.372 108.800 -0.026 0.000 2.364 751 G HA2 0.463 4.426 3.960 0.005 0.000 0.267 751 G HA3 0.463 4.426 3.960 0.005 0.000 0.267 751 G C 0.209 175.073 174.900 -0.060 0.000 1.233 751 G CA -0.024 45.055 45.100 -0.036 0.000 0.885 751 G HN 0.654 nan 8.290 nan 0.000 0.490 752 T N -0.460 114.064 114.554 -0.050 0.000 2.940 752 T HA 0.405 4.758 4.350 0.005 0.000 0.288 752 T C 0.015 174.707 174.700 -0.013 0.000 1.045 752 T CA -1.073 61.000 62.100 -0.044 0.000 1.018 752 T CB 2.021 70.871 68.868 -0.030 0.000 1.151 752 T HN 0.355 nan 8.240 nan 0.000 0.529 753 N N 0.147 118.844 118.700 -0.004 0.000 3.105 753 N HA 0.374 5.117 4.740 0.005 0.000 0.256 753 N C 0.903 176.430 175.510 0.028 0.000 1.174 753 N CA 0.510 53.573 53.050 0.020 0.000 1.030 753 N CB -0.179 38.324 38.487 0.027 0.000 1.305 753 N HN 1.147 nan 8.380 nan 0.000 0.509 754 G N 2.396 111.218 108.800 0.037 0.000 2.255 754 G HA2 -0.145 3.818 3.960 0.005 0.000 0.196 754 G HA3 -0.145 3.818 3.960 0.005 0.000 0.196 754 G C 0.775 175.715 174.900 0.067 0.000 0.998 754 G CA -0.486 44.645 45.100 0.051 0.000 0.656 754 G HN 0.468 nan 8.290 nan 0.000 0.490 755 R N 0.933 121.467 120.500 0.057 0.000 2.546 755 R HA 0.455 4.798 4.340 0.005 0.000 0.320 755 R C 1.507 177.835 176.300 0.047 0.000 1.021 755 R CA 0.937 57.086 56.100 0.082 0.000 1.088 755 R CB 0.089 30.455 30.300 0.110 0.000 1.278 755 R HN 1.434 nan 8.270 nan 0.000 0.557 756 G N 1.581 110.398 108.800 0.030 0.000 2.552 756 G HA2 -0.316 3.647 3.960 0.005 0.000 0.265 756 G HA3 -0.316 3.647 3.960 0.005 0.000 0.265 756 G C -0.215 174.671 174.900 -0.024 0.000 1.234 756 G CA -0.262 44.843 45.100 0.007 0.000 0.944 756 G HN 0.221 nan 8.290 nan 0.000 0.568 757 I N 0.447 121.005 120.570 -0.020 0.000 2.378 757 I HA 0.549 4.722 4.170 0.005 0.000 0.291 757 I C 0.282 176.407 176.117 0.013 0.000 0.992 757 I CA -0.940 60.351 61.300 -0.015 0.000 1.154 757 I CB 1.762 39.738 38.000 -0.040 0.000 1.315 757 I HN 0.396 nan 8.210 nan 0.000 0.448 758 V N 6.416 126.302 119.914 -0.047 0.000 2.667 758 V HA 0.485 4.608 4.120 0.005 0.000 0.308 758 V C -0.831 175.293 176.094 0.050 0.000 1.048 758 V CA -0.761 61.473 62.300 -0.110 0.000 0.928 758 V CB 1.581 33.106 31.823 -0.498 0.000 1.004 758 V HN 0.647 nan 8.190 nan 0.000 0.444 759 Y N 1.486 121.725 120.300 -0.102 0.000 2.477 759 Y HA 0.905 5.458 4.550 0.005 0.000 0.347 759 Y C -0.244 175.420 175.900 -0.393 0.000 0.981 759 Y CA -1.281 56.660 58.100 -0.266 0.000 1.033 759 Y CB 1.673 39.935 38.460 -0.330 0.000 1.245 759 Y HN 0.701 nan 8.280 nan 0.000 0.455 760 A N 3.129 125.622 122.820 -0.546 0.000 2.276 760 A HA 0.600 4.923 4.320 0.005 0.000 0.316 760 A C -1.249 176.192 177.584 -0.239 0.000 1.229 760 A CA -0.447 51.108 52.037 -0.804 0.000 0.851 760 A CB 0.531 18.790 19.000 -1.235 0.000 1.165 760 A HN 0.787 nan 8.150 nan 0.000 0.513 761 D N 1.560 121.899 120.400 -0.102 0.000 2.646 761 D HA 0.442 5.085 4.640 0.005 0.000 0.245 761 D C -0.655 175.603 176.300 -0.070 0.000 1.099 761 D CA -0.319 53.683 54.000 0.003 0.000 0.849 761 D CB 1.617 42.431 40.800 0.023 0.000 1.448 761 D HN 0.277 nan 8.370 nan 0.000 0.489 762 L N 2.314 123.363 121.223 -0.290 0.000 2.499 762 L HA 0.242 4.585 4.340 0.005 0.000 0.273 762 L C 0.629 177.393 176.870 -0.177 0.000 1.195 762 L CA 0.680 55.259 54.840 -0.435 0.000 0.882 762 L CB -0.018 41.800 42.059 -0.403 0.000 1.133 762 L HN 0.458 nan 8.230 nan 0.000 0.483 763 T N 1.434 115.904 114.554 -0.141 0.000 2.887 763 T HA 0.603 4.956 4.350 0.005 0.000 0.292 763 T C -0.241 174.431 174.700 -0.047 0.000 1.087 763 T CA -1.112 60.952 62.100 -0.060 0.000 1.009 763 T CB 1.516 70.371 68.868 -0.022 0.000 1.203 763 T HN 0.537 nan 8.240 nan 0.000 0.518 770 E N 2.590 122.823 120.200 0.055 0.000 2.046 770 E HA 0.207 4.560 4.350 0.005 0.000 0.279 770 E C -0.835 175.776 176.600 0.017 0.000 0.989 770 E CA -0.525 55.896 56.400 0.034 0.000 0.798 770 E CB 0.707 30.418 29.700 0.018 0.000 1.086 770 E HN 0.033 nan 8.360 nan 0.000 0.399 771 K N 2.002 122.395 120.400 -0.012 0.000 2.090 771 K HA 0.321 4.644 4.320 0.005 0.000 0.250 771 K C 0.014 176.614 176.600 -0.000 0.000 1.004 771 K CA -0.640 55.616 56.287 -0.052 0.000 0.919 771 K CB 1.208 33.568 32.500 -0.233 0.000 1.045 771 K HN 0.401 nan 8.250 nan 0.000 0.471 772 S N 1.129 116.870 115.700 0.069 0.000 2.568 772 S HA 0.085 4.558 4.470 0.005 0.000 0.282 772 S C 0.336 175.081 174.600 0.241 0.000 1.338 772 S CA -0.228 58.088 58.200 0.193 0.000 1.045 772 S CB 0.308 63.761 63.200 0.423 0.000 0.873 772 S HN 0.635 nan 8.310 nan 0.000 0.516 773 T N -0.919 113.678 114.554 0.072 0.000 2.908 773 T HA 0.861 5.214 4.350 0.005 0.000 0.290 773 T C -0.653 173.782 174.700 -0.441 0.000 1.034 773 T CA -0.939 61.082 62.100 -0.131 0.000 1.010 773 T CB 1.846 70.642 68.868 -0.120 0.000 1.068 773 T HN 0.777 nan 8.240 nan 0.000 0.481 774 A N 1.824 124.205 122.820 -0.731 0.000 2.574 774 A HA 0.815 5.138 4.320 0.005 0.000 0.297 774 A C -0.955 176.344 177.584 -0.475 0.000 1.062 774 A CA -1.185 50.387 52.037 -0.776 0.000 0.686 774 A CB 1.590 19.644 19.000 -1.577 0.000 1.285 774 A HN 1.162 nan 8.150 nan 0.000 0.403 775 K N 0.013 120.214 120.400 -0.332 0.000 2.435 775 K HA 0.700 5.022 4.320 0.005 0.000 0.251 775 K C -1.024 175.451 176.600 -0.209 0.000 0.954 775 K CA -0.614 55.538 56.287 -0.224 0.000 0.820 775 K CB 1.709 34.112 32.500 -0.162 0.000 1.292 775 K HN 0.499 nan 8.250 nan 0.000 0.436 776 c N 2.249 120.758 118.600 -0.152 0.000 2.576 776 c HA 0.254 4.827 4.570 0.005 0.000 0.401 776 c C 1.891 175.872 174.090 -0.181 0.000 1.314 776 c CA 0.026 56.268 56.329 -0.145 0.000 1.855 776 c CB -0.244 42.206 42.510 -0.098 0.000 2.537 776 c HN 1.004 nan 8.230 nan 0.000 0.578 777 A N 4.021 126.666 122.820 -0.292 0.000 1.940 777 A HA -0.184 4.139 4.320 0.005 0.000 0.219 777 A C 1.873 179.386 177.584 -0.118 0.000 1.176 777 A CA 2.140 54.004 52.037 -0.288 0.000 0.631 777 A CB -0.448 18.177 19.000 -0.625 0.000 0.814 777 A HN 0.960 nan 8.150 nan 0.000 0.446 778 N N -0.480 118.165 118.700 -0.092 0.000 2.485 778 N HA 0.235 4.978 4.740 0.005 0.000 0.199 778 N C 0.968 176.441 175.510 -0.062 0.000 1.236 778 N CA 0.962 53.981 53.050 -0.052 0.000 0.852 778 N CB -0.814 37.643 38.487 -0.049 0.000 1.018 778 N HN 0.742 nan 8.380 nan 0.000 0.457 779 G N -0.778 107.982 108.800 -0.068 0.000 2.205 779 G HA2 -0.413 3.550 3.960 0.005 0.000 0.269 779 G HA3 -0.413 3.550 3.960 0.005 0.000 0.269 779 G C 0.093 174.959 174.900 -0.057 0.000 0.977 779 G CA 0.717 45.781 45.100 -0.059 0.000 0.652 779 G HN 0.666 nan 8.290 nan 0.000 0.539 780 Q N 0.184 119.942 119.800 -0.069 0.000 2.479 780 Q HA 0.383 4.726 4.340 0.005 0.000 0.267 780 Q C 1.750 177.727 176.000 -0.038 0.000 1.071 780 Q CA 0.853 56.620 55.803 -0.059 0.000 0.935 780 Q CB 0.464 29.146 28.738 -0.094 0.000 1.295 780 Q HN 0.353 nan 8.270 nan 0.000 0.476 781 K N 1.284 121.678 120.400 -0.010 0.000 1.971 781 K HA -0.160 4.163 4.320 0.005 0.000 0.221 781 K C 1.010 177.613 176.600 0.005 0.000 1.050 781 K CA 1.748 58.037 56.287 0.003 0.000 0.967 781 K CB -0.603 31.911 32.500 0.023 0.000 0.733 781 K HN 0.776 nan 8.250 nan 0.000 0.445 782 G N -1.049 107.774 108.800 0.038 0.000 3.199 782 G HA2 -0.052 3.911 3.960 0.005 0.000 0.184 782 G HA3 -0.052 3.911 3.960 0.005 0.000 0.184 782 G C 0.742 175.663 174.900 0.036 0.000 1.974 782 G CA 0.701 45.828 45.100 0.045 0.000 0.885 782 G HN 0.471 nan 8.290 nan 0.000 0.575 783 T N -3.065 111.557 114.554 0.114 0.000 3.200 783 T HA 0.267 4.620 4.350 0.005 0.000 0.284 783 T C 0.251 175.148 174.700 0.329 0.000 1.009 783 T CA -0.205 61.987 62.100 0.154 0.000 0.907 783 T CB -0.327 68.646 68.868 0.175 0.000 1.120 783 T HN 0.443 nan 8.240 nan 0.000 0.534 784 H N 1.004 120.145 119.070 0.119 0.000 2.872 784 H HA 0.292 4.851 4.556 0.005 0.000 0.273 784 H C -0.007 175.163 175.328 -0.262 0.000 1.205 784 H CA -0.712 55.339 56.048 0.005 0.000 1.342 784 H CB 0.275 30.039 29.762 0.004 0.000 1.469 784 H HN 0.362 nan 8.280 nan 0.000 0.487 785 c N 5.047 123.123 118.600 -0.873 0.000 2.673 785 c HA 0.184 4.757 4.570 0.005 0.000 0.274 785 c C -0.140 173.490 174.090 -0.767 0.000 1.276 785 c CA -0.258 55.664 56.329 -0.678 0.000 1.701 785 c CB -2.304 40.028 42.510 -0.297 0.000 1.836 785 c HN 0.902 nan 8.230 nan 0.000 0.596 786 Y N 0.000 119.405 120.300 -1.492 0.000 2.660 786 Y HA 0.000 4.552 4.550 0.004 0.000 0.201 786 Y CA 0.000 57.486 58.100 -1.023 0.000 1.940 786 Y CB 0.000 38.164 38.460 -0.493 0.000 1.050 786 Y HN 0.000 nan 8.280 nan 0.000 0.758