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 2bxy_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.632 174.600 0.053 0.000 1.055 14 S CA 0.000 58.224 58.200 0.040 0.000 1.107 14 S CB 0.000 63.211 63.200 0.018 0.000 0.593 15 F N 4.144 124.096 119.950 0.003 0.000 2.578 15 F HA 0.457 4.985 4.527 0.001 0.000 0.381 15 F C 0.332 176.141 175.800 0.015 0.000 1.069 15 F CA 0.651 58.659 58.000 0.013 0.000 1.231 15 F CB 0.488 39.505 39.000 0.028 0.000 1.086 15 F HN 0.296 nan 8.300 nan 0.000 0.564 16 Q N 4.808 124.060 119.800 -0.913 0.000 2.322 16 Q HA 0.186 4.527 4.340 0.002 0.000 0.265 16 Q C 0.018 175.381 176.000 -1.062 0.000 0.985 16 Q CA -0.900 54.492 55.803 -0.685 0.000 0.849 16 Q CB 1.748 30.266 28.738 -0.367 0.000 1.274 16 Q HN 0.789 nan 8.270 nan 0.000 0.449 17 T N 1.263 115.523 114.554 -0.491 0.000 2.939 17 T HA -0.100 4.251 4.350 0.002 0.000 0.319 17 T C 0.861 175.451 174.700 -0.184 0.000 1.082 17 T CA 0.708 62.732 62.100 -0.127 0.000 1.133 17 T CB 0.540 69.509 68.868 0.169 0.000 1.019 17 T HN 0.612 nan 8.240 nan 0.000 0.548 18 Q N 1.662 121.389 119.800 -0.122 0.000 2.403 18 Q HA 0.060 4.401 4.340 0.002 0.000 0.203 18 Q C 0.028 175.833 176.000 -0.325 0.000 0.932 18 Q CA 0.326 55.984 55.803 -0.242 0.000 0.945 18 Q CB 0.190 28.770 28.738 -0.264 0.000 1.045 18 Q HN 0.637 nan 8.270 nan 0.000 0.511 19 H N 0.361 119.441 119.070 0.016 0.000 2.467 19 H HA 0.275 4.832 4.556 0.002 0.000 0.326 19 H C -0.914 174.421 175.328 0.013 0.000 1.094 19 H CA -0.267 55.799 56.048 0.030 0.000 1.253 19 H CB 1.442 31.243 29.762 0.065 0.000 1.439 19 H HN -0.006 nan 8.280 nan 0.000 0.479 20 D N 3.923 124.390 120.400 0.111 0.000 2.788 20 D HA 0.210 4.851 4.640 0.002 0.000 0.247 20 D C -2.151 174.187 176.300 0.063 0.000 1.236 20 D CA -2.286 51.750 54.000 0.060 0.000 0.898 20 D CB 2.475 43.282 40.800 0.013 0.000 1.401 20 D HN 0.103 nan 8.370 nan 0.000 0.549 21 P HA -0.046 nan 4.420 nan 0.000 0.219 21 P C 0.924 178.238 177.300 0.023 0.000 1.146 21 P CA 0.928 64.057 63.100 0.049 0.000 0.808 21 P CB 0.296 32.024 31.700 0.048 0.000 0.779 22 R N -0.992 119.516 120.500 0.014 0.000 2.235 22 R HA 0.025 4.366 4.340 0.002 0.000 0.213 22 R C 1.261 177.558 176.300 -0.006 0.000 1.059 22 R CA 1.578 57.677 56.100 -0.001 0.000 0.997 22 R CB -0.660 29.639 30.300 -0.003 0.000 0.884 22 R HN 0.307 nan 8.270 nan 0.000 0.462 23 T N -2.764 111.790 114.554 0.000 0.000 3.200 23 T HA 0.182 4.533 4.350 0.002 0.000 0.284 23 T C 0.389 175.084 174.700 -0.008 0.000 1.009 23 T CA -0.606 61.490 62.100 -0.007 0.000 0.907 23 T CB 0.184 69.044 68.868 -0.012 0.000 1.120 23 T HN -0.006 nan 8.240 nan 0.000 0.534 24 R N 1.743 122.243 120.500 -0.001 0.000 2.522 24 R HA 0.328 4.669 4.340 0.002 0.000 0.284 24 R C -0.243 176.000 176.300 -0.095 0.000 1.032 24 R CA -0.359 55.735 56.100 -0.009 0.000 1.049 24 R CB 0.196 30.507 30.300 0.017 0.000 0.956 24 R HN 0.399 nan 8.270 nan 0.000 0.422 25 L N 4.372 125.457 121.223 -0.229 0.000 2.452 25 L HA 0.290 4.631 4.340 0.002 0.000 0.267 25 L C 1.259 177.921 176.870 -0.346 0.000 1.188 25 L CA 0.900 55.476 54.840 -0.440 0.000 0.821 25 L CB 0.862 42.314 42.059 -1.011 0.000 1.102 25 L HN 1.098 nan 8.230 nan 0.000 0.470 26 G N 1.722 110.467 108.800 -0.091 0.000 2.445 26 G HA2 0.031 3.992 3.960 0.002 0.000 0.212 26 G HA3 0.031 3.992 3.960 0.002 0.000 0.212 26 G C -0.929 174.064 174.900 0.156 0.000 1.217 26 G CA -0.239 44.990 45.100 0.214 0.000 1.002 26 G HN 1.025 nan 8.290 nan 0.000 0.574 27 A N -0.384 122.454 122.820 0.030 0.000 2.319 27 A HA 0.840 5.161 4.320 0.002 0.000 0.310 27 A C -0.106 177.312 177.584 -0.276 0.000 1.152 27 A CA 0.676 52.500 52.037 -0.355 0.000 0.783 27 A CB 1.382 19.996 19.000 -0.644 0.000 1.184 27 A HN 1.548 nan 8.150 nan 0.000 0.474 28 T N 4.630 118.987 114.554 -0.328 0.000 2.840 28 T HA 0.521 4.872 4.350 0.002 0.000 0.287 28 T C -2.910 171.652 174.700 -0.229 0.000 0.991 28 T CA -1.068 60.913 62.100 -0.198 0.000 0.964 28 T CB 1.559 70.364 68.868 -0.106 0.000 0.954 28 T HN 0.378 nan 8.240 nan 0.000 0.438 29 P HA 0.122 nan 4.420 nan 0.000 0.262 29 P C -0.381 176.854 177.300 -0.108 0.000 1.182 29 P CA -0.144 62.865 63.100 -0.151 0.000 0.761 29 P CB 0.401 32.032 31.700 -0.115 0.000 0.795 30 L N 5.812 126.973 121.223 -0.104 0.000 2.418 30 L HA 0.357 4.698 4.340 0.002 0.000 0.265 30 L C -1.530 175.315 176.870 -0.043 0.000 1.143 30 L CA -1.912 52.887 54.840 -0.069 0.000 0.809 30 L CB 0.054 42.074 42.059 -0.066 0.000 1.124 30 L HN 0.305 nan 8.230 nan 0.000 0.456 31 P HA 0.114 nan 4.420 nan 0.000 0.272 31 P C 0.465 177.756 177.300 -0.014 0.000 1.240 31 P CA -0.009 63.082 63.100 -0.014 0.000 0.791 31 P CB 0.603 32.300 31.700 -0.006 0.000 0.978 32 G N 0.010 108.805 108.800 -0.009 0.000 2.179 32 G HA2 -0.102 3.859 3.960 0.002 0.000 0.257 32 G HA3 -0.102 3.859 3.960 0.002 0.000 0.257 32 G C 0.826 175.720 174.900 -0.010 0.000 1.010 32 G CA 0.635 45.731 45.100 -0.007 0.000 0.736 32 G HN 1.116 nan 8.290 nan 0.000 0.513 33 G N -1.383 107.408 108.800 -0.015 0.000 2.225 33 G HA2 0.070 4.031 3.960 0.002 0.000 0.267 33 G HA3 0.070 4.031 3.960 0.002 0.000 0.267 33 G C 1.303 176.192 174.900 -0.019 0.000 1.024 33 G CA 1.257 46.347 45.100 -0.017 0.000 0.784 33 G HN 2.144 nan 8.290 nan 0.000 0.507 34 A N -1.279 121.527 122.820 -0.023 0.000 2.167 34 A HA 0.582 4.903 4.320 0.002 0.000 0.214 34 A C 2.311 179.877 177.584 -0.030 0.000 1.151 34 A CA 1.994 54.017 52.037 -0.022 0.000 0.735 34 A CB -0.141 18.847 19.000 -0.021 0.000 0.802 34 A HN 2.596 nan 8.150 nan 0.000 0.467 35 G N -2.209 106.564 108.800 -0.045 0.000 2.348 35 G HA2 0.122 4.083 3.960 0.002 0.000 0.199 35 G HA3 0.122 4.083 3.960 0.002 0.000 0.199 35 G C -0.280 174.549 174.900 -0.119 0.000 1.235 35 G CA -0.138 44.927 45.100 -0.058 0.000 1.264 35 G HN 0.734 nan 8.290 nan 0.000 0.543 36 T N 0.530 114.978 114.554 -0.175 0.000 2.912 36 T HA 0.648 4.999 4.350 0.002 0.000 0.299 36 T C -0.332 174.103 174.700 -0.441 0.000 1.052 36 T CA -0.508 61.359 62.100 -0.389 0.000 0.996 36 T CB 2.116 70.602 68.868 -0.637 0.000 1.070 36 T HN 0.705 nan 8.240 nan 0.000 0.465 37 R N 2.338 122.582 120.500 -0.427 0.000 2.255 37 R HA 0.531 4.872 4.340 0.002 0.000 0.326 37 R C -1.374 174.672 176.300 -0.424 0.000 0.986 37 R CA -0.471 55.461 56.100 -0.279 0.000 0.847 37 R CB 0.304 30.521 30.300 -0.138 0.000 1.111 37 R HN 0.449 nan 8.270 nan 0.000 0.452 38 F N 3.614 123.557 119.950 -0.011 0.000 2.420 38 F HA 0.519 5.047 4.527 0.002 0.000 0.342 38 F C 0.452 176.306 175.800 0.090 0.000 1.113 38 F CA -0.464 57.578 58.000 0.070 0.000 1.059 38 F CB 1.583 40.677 39.000 0.155 0.000 1.128 38 F HN 0.333 nan 8.300 nan 0.000 0.475 39 R N 3.142 123.773 120.500 0.218 0.000 2.771 39 R HA 0.861 5.202 4.340 0.002 0.000 0.274 39 R C -1.699 174.564 176.300 -0.061 0.000 0.987 39 R CA -1.126 55.016 56.100 0.069 0.000 0.908 39 R CB 2.586 32.891 30.300 0.009 0.000 1.213 39 R HN 0.591 nan 8.270 nan 0.000 0.468 40 L N -1.832 119.334 121.223 -0.095 0.000 2.568 40 L HA 0.728 5.069 4.340 0.002 0.000 0.257 40 L C -1.714 175.218 176.870 0.103 0.000 1.024 40 L CA -0.809 53.949 54.840 -0.136 0.000 0.854 40 L CB 1.284 43.106 42.059 -0.394 0.000 1.460 40 L HN 0.691 nan 8.230 nan 0.000 0.409 41 W N 0.861 122.123 121.300 -0.062 0.000 2.532 41 W HA 0.795 5.456 4.660 0.001 0.000 0.321 41 W C -1.174 175.396 176.519 0.085 0.000 1.037 41 W CA -0.425 56.882 57.345 -0.063 0.000 1.220 41 W CB 1.874 31.092 29.460 -0.404 0.000 1.361 41 W HN 0.895 nan 8.180 nan 0.000 0.468 42 T N 3.505 117.804 114.554 -0.426 0.000 2.921 42 T HA 0.315 4.666 4.350 0.002 0.000 0.297 42 T C 0.644 174.962 174.700 -0.636 0.000 1.013 42 T CA 0.051 61.813 62.100 -0.563 0.000 0.990 42 T CB 1.251 69.977 68.868 -0.237 0.000 1.023 42 T HN 0.484 nan 8.240 nan 0.000 0.447 43 S N 2.095 117.356 115.700 -0.732 0.000 2.524 43 S HA 0.071 4.542 4.470 0.002 0.000 0.216 43 S C 1.476 175.966 174.600 -0.182 0.000 0.987 43 S CA 0.834 58.804 58.200 -0.383 0.000 0.909 43 S CB -0.155 62.831 63.200 -0.357 0.000 0.781 43 S HN 0.880 nan 8.310 nan 0.000 0.521 44 T N -1.973 112.465 114.554 -0.192 0.000 2.966 44 T HA 0.572 4.923 4.350 0.002 0.000 0.254 44 T C 0.646 175.275 174.700 -0.118 0.000 0.961 44 T CA 0.293 62.319 62.100 -0.123 0.000 0.915 44 T CB -0.218 68.581 68.868 -0.115 0.000 1.186 44 T HN 0.471 nan 8.240 nan 0.000 0.505 45 A N 1.810 124.531 122.820 -0.165 0.000 2.462 45 A HA 0.528 4.849 4.320 0.002 0.000 0.243 45 A C 1.276 178.784 177.584 -0.127 0.000 1.076 45 A CA -0.434 51.495 52.037 -0.180 0.000 0.773 45 A CB 0.318 19.150 19.000 -0.279 0.000 1.010 45 A HN 0.466 nan 8.150 nan 0.000 0.493 46 R N 0.223 120.663 120.500 -0.101 0.000 2.175 46 R HA 0.066 4.407 4.340 0.002 0.000 0.202 46 R C 0.237 176.499 176.300 -0.063 0.000 1.018 46 R CA 1.245 57.313 56.100 -0.053 0.000 1.029 46 R CB 0.088 30.366 30.300 -0.036 0.000 0.959 46 R HN 0.845 nan 8.270 nan 0.000 0.480 47 T N -1.348 113.142 114.554 -0.107 0.000 2.841 47 T HA 0.619 4.969 4.350 0.002 0.000 0.283 47 T C -0.476 174.108 174.700 -0.194 0.000 1.000 47 T CA -0.712 61.323 62.100 -0.109 0.000 0.977 47 T CB 2.369 71.196 68.868 -0.068 0.000 0.979 47 T HN -0.200 nan 8.240 nan 0.000 0.446 48 V N 1.596 121.382 119.914 -0.212 0.000 2.612 48 V HA 0.846 4.967 4.120 0.002 0.000 0.301 48 V C -0.173 175.860 176.094 -0.102 0.000 1.059 48 V CA -0.725 61.399 62.300 -0.294 0.000 0.886 48 V CB 1.190 32.535 31.823 -0.795 0.000 1.007 48 V HN 1.437 nan 8.190 nan 0.000 0.426 49 A N 3.559 126.367 122.820 -0.019 0.000 2.556 49 A HA 0.932 5.253 4.320 0.002 0.000 0.294 49 A C -1.360 176.331 177.584 0.179 0.000 1.091 49 A CA -0.732 51.344 52.037 0.066 0.000 0.704 49 A CB 2.287 21.303 19.000 0.027 0.000 1.300 49 A HN 1.036 nan 8.150 nan 0.000 0.406 50 V N 1.200 121.215 119.914 0.167 0.000 2.435 50 V HA 0.645 4.766 4.120 0.002 0.000 0.290 50 V C 0.007 176.098 176.094 -0.005 0.000 1.030 50 V CA -0.712 61.645 62.300 0.094 0.000 0.881 50 V CB 1.370 33.111 31.823 -0.137 0.000 0.983 50 V HN 0.867 nan 8.190 nan 0.000 0.445 51 R N 5.220 125.686 120.500 -0.057 0.000 2.239 51 R HA 0.625 4.966 4.340 0.002 0.000 0.332 51 R C -1.655 174.616 176.300 -0.048 0.000 0.988 51 R CA -0.389 55.688 56.100 -0.039 0.000 0.859 51 R CB 1.342 31.613 30.300 -0.049 0.000 1.148 51 R HN 0.617 nan 8.270 nan 0.000 0.482 52 V N 5.514 125.430 119.914 0.003 0.000 2.384 52 V HA 0.180 4.301 4.120 0.002 0.000 0.287 52 V C 0.040 176.171 176.094 0.062 0.000 1.020 52 V CA -0.963 61.346 62.300 0.015 0.000 0.850 52 V CB 1.503 33.295 31.823 -0.051 0.000 0.987 52 V HN 0.940 nan 8.190 nan 0.000 0.436 53 N N 4.080 122.816 118.700 0.059 0.000 2.721 53 N HA -0.233 4.508 4.740 0.002 0.000 0.249 53 N C 1.198 176.723 175.510 0.026 0.000 1.072 53 N CA 1.574 54.652 53.050 0.047 0.000 0.710 53 N CB -1.091 37.431 38.487 0.060 0.000 0.993 53 N HN 1.527 nan 8.380 nan 0.000 0.547 54 G N -2.835 105.969 108.800 0.007 0.000 2.217 54 G HA2 -0.295 3.666 3.960 0.002 0.000 0.246 54 G HA3 -0.295 3.666 3.960 0.002 0.000 0.246 54 G C 0.146 175.030 174.900 -0.026 0.000 0.990 54 G CA 0.583 45.676 45.100 -0.012 0.000 0.627 54 G HN 0.515 nan 8.290 nan 0.000 0.522 55 T N 1.880 116.423 114.554 -0.018 0.000 2.771 55 T HA 0.529 4.880 4.350 0.002 0.000 0.281 55 T C -0.191 174.415 174.700 -0.155 0.000 0.982 55 T CA -0.421 61.625 62.100 -0.091 0.000 0.978 55 T CB 1.748 70.573 68.868 -0.072 0.000 0.930 55 T HN 0.333 nan 8.240 nan 0.000 0.447 56 E N 2.969 123.040 120.200 -0.215 0.000 2.259 56 E HA 0.206 4.557 4.350 0.002 0.000 0.281 56 E C -0.354 176.037 176.600 -0.348 0.000 1.027 56 E CA -0.494 55.802 56.400 -0.174 0.000 0.838 56 E CB 0.725 30.364 29.700 -0.102 0.000 1.066 56 E HN 0.592 nan 8.360 nan 0.000 0.401 57 H N 1.491 120.543 119.070 -0.031 0.000 2.609 57 H HA 0.194 4.751 4.556 0.002 0.000 0.344 57 H C 0.146 175.480 175.328 0.009 0.000 1.040 57 H CA -0.628 55.413 56.048 -0.011 0.000 1.216 57 H CB 1.340 31.092 29.762 -0.017 0.000 1.529 57 H HN 0.231 nan 8.280 nan 0.000 0.519 61 S N 2.361 117.975 115.700 -0.143 0.000 2.474 61 S HA 0.432 4.903 4.470 0.002 0.000 0.276 61 S C 0.945 175.349 174.600 -0.327 0.000 1.227 61 S CA -0.644 57.219 58.200 -0.562 0.000 1.050 61 S CB -0.043 62.935 63.200 -0.371 0.000 0.939 61 S HN 0.596 nan 8.310 nan 0.000 0.490 62 L N 4.728 125.742 121.223 -0.349 0.000 2.616 62 L HA 0.403 4.744 4.340 0.002 0.000 0.229 62 L C 1.162 177.955 176.870 -0.128 0.000 1.110 62 L CA 0.212 54.950 54.840 -0.170 0.000 0.884 62 L CB -0.472 41.518 42.059 -0.115 0.000 1.115 62 L HN 0.944 nan 8.230 nan 0.000 0.481 63 G N -0.788 107.916 108.800 -0.160 0.000 2.663 63 G HA2 0.147 4.108 3.960 0.002 0.000 0.686 63 G HA3 0.147 4.108 3.960 0.002 0.000 0.686 63 G C 0.502 175.393 174.900 -0.014 0.000 1.246 63 G CA -0.476 44.580 45.100 -0.072 0.000 0.795 63 G HN 0.452 nan 8.290 nan 0.000 0.627 64 G N -0.825 108.002 108.800 0.045 0.000 2.168 64 G HA2 0.339 4.300 3.960 0.002 0.000 0.257 64 G HA3 0.339 4.300 3.960 0.002 0.000 0.257 64 G C 2.108 177.180 174.900 0.287 0.000 0.997 64 G CA 1.132 46.311 45.100 0.132 0.000 0.708 64 G HN 3.127 nan 8.290 nan 0.000 0.520 65 G N -1.504 107.421 108.800 0.208 0.000 2.168 65 G HA2 -0.250 3.711 3.960 0.002 0.000 0.263 65 G HA3 -0.250 3.711 3.960 0.002 0.000 0.263 65 G C 0.377 175.482 174.900 0.340 0.000 0.977 65 G CA 0.473 45.746 45.100 0.288 0.000 0.659 65 G HN 1.215 nan 8.290 nan 0.000 0.533 66 I N 0.518 121.179 120.570 0.152 0.000 2.441 66 I HA 0.439 4.609 4.170 0.002 0.000 0.287 66 I C 0.257 176.270 176.117 -0.173 0.000 1.049 66 I CA -0.721 60.639 61.300 0.101 0.000 1.381 66 I CB 0.204 38.235 38.000 0.051 0.000 1.409 66 I HN 0.073 nan 8.210 nan 0.000 0.523 67 Y N 4.049 124.365 120.300 0.027 0.000 2.446 67 Y HA 0.526 5.077 4.550 0.001 0.000 0.345 67 Y C 0.268 176.174 175.900 0.010 0.000 0.984 67 Y CA -0.670 57.434 58.100 0.006 0.000 1.058 67 Y CB 2.164 40.611 38.460 -0.023 0.000 1.220 67 Y HN 0.533 nan 8.280 nan 0.000 0.455 68 E N 2.467 122.759 120.200 0.153 0.000 2.356 68 E HA 0.694 5.045 4.350 0.002 0.000 0.275 68 E C -2.324 174.370 176.600 0.156 0.000 0.904 68 E CA -0.900 55.579 56.400 0.132 0.000 0.757 68 E CB 2.519 32.258 29.700 0.065 0.000 1.232 68 E HN 0.568 nan 8.360 nan 0.000 0.442 69 L N 2.203 123.544 121.223 0.197 0.000 2.549 69 L HA 0.406 4.746 4.340 0.002 0.000 0.259 69 L C -1.779 175.216 176.870 0.208 0.000 0.934 69 L CA -0.111 54.837 54.840 0.181 0.000 0.865 69 L CB 2.175 44.341 42.059 0.178 0.000 1.352 69 L HN 0.599 nan 8.230 nan 0.000 0.410 70 E N 4.878 125.147 120.200 0.115 0.000 2.179 70 E HA 0.748 5.099 4.350 0.002 0.000 0.275 70 E C -1.382 175.255 176.600 0.062 0.000 0.945 70 E CA -0.585 55.860 56.400 0.075 0.000 0.792 70 E CB 2.176 31.886 29.700 0.018 0.000 1.125 70 E HN 0.439 nan 8.360 nan 0.000 0.397 71 L N 3.074 124.341 121.223 0.073 0.000 2.409 71 L HA 0.361 4.702 4.340 0.002 0.000 0.262 71 L C -2.225 174.654 176.870 0.016 0.000 0.992 71 L CA -2.238 52.615 54.840 0.021 0.000 0.817 71 L CB 2.481 44.529 42.059 -0.018 0.000 1.350 71 L HN 0.339 nan 8.230 nan 0.000 0.411 72 P HA -0.030 nan 4.420 nan 0.000 0.263 72 P C -0.075 177.230 177.300 0.009 0.000 1.386 72 P CA 0.156 63.256 63.100 0.001 0.000 0.797 72 P CB -0.278 31.424 31.700 0.004 0.000 1.381 73 V N -2.869 117.062 119.914 0.029 0.000 2.775 73 V HA 0.720 4.841 4.120 0.002 0.000 0.299 73 V C 0.612 176.709 176.094 0.006 0.000 1.062 73 V CA -0.373 61.953 62.300 0.043 0.000 1.063 73 V CB 0.802 32.687 31.823 0.103 0.000 0.994 73 V HN 0.119 nan 8.190 nan 0.000 0.483 74 G N 2.937 111.740 108.800 0.005 0.000 2.887 74 G HA2 0.710 4.670 3.960 0.002 0.000 0.277 74 G HA3 0.710 4.670 3.960 0.002 0.000 0.277 74 G C -2.996 171.893 174.900 -0.017 0.000 1.346 74 G CA -1.901 43.185 45.100 -0.022 0.000 1.058 74 G HN 0.706 nan 8.290 nan 0.000 0.535 75 P HA 0.214 nan 4.420 nan 0.000 0.264 75 P C 0.884 178.189 177.300 0.007 0.000 1.183 75 P CA 1.637 64.718 63.100 -0.032 0.000 0.763 75 P CB 0.953 32.619 31.700 -0.057 0.000 0.807 76 G N 1.592 110.415 108.800 0.039 0.000 2.254 76 G HA2 -0.177 3.784 3.960 0.002 0.000 0.225 76 G HA3 -0.177 3.784 3.960 0.002 0.000 0.225 76 G C 0.464 175.422 174.900 0.096 0.000 1.003 76 G CA -0.012 45.128 45.100 0.067 0.000 0.622 76 G HN 0.848 nan 8.290 nan 0.000 0.507 77 A N 0.914 123.797 122.820 0.106 0.000 2.483 77 A HA 0.595 4.916 4.320 0.002 0.000 0.238 77 A C 0.674 178.387 177.584 0.216 0.000 1.070 77 A CA 0.474 52.597 52.037 0.143 0.000 0.770 77 A CB 0.246 19.340 19.000 0.156 0.000 1.008 77 A HN 0.416 nan 8.150 nan 0.000 0.497 78 R N 0.598 121.207 120.500 0.182 0.000 2.460 78 R HA 0.576 4.917 4.340 0.002 0.000 0.303 78 R C -1.161 175.247 176.300 0.181 0.000 0.968 78 R CA -0.204 55.986 56.100 0.151 0.000 0.889 78 R CB 1.089 31.420 30.300 0.052 0.000 1.123 78 R HN 0.857 nan 8.270 nan 0.000 0.455 79 Y N 0.105 120.371 120.300 -0.057 0.000 2.624 79 Y HA 0.696 5.247 4.550 0.002 0.000 0.334 79 Y C -1.574 174.181 175.900 -0.242 0.000 1.155 79 Y CA -1.451 56.546 58.100 -0.171 0.000 1.046 79 Y CB 1.043 39.368 38.460 -0.224 0.000 1.316 79 Y HN 0.365 nan 8.280 nan 0.000 0.457 80 L N -0.846 120.167 121.223 -0.351 0.000 2.654 80 L HA 0.796 5.137 4.340 0.002 0.000 0.257 80 L C -1.814 174.844 176.870 -0.353 0.000 1.093 80 L CA -1.485 53.089 54.840 -0.443 0.000 0.903 80 L CB 0.783 42.669 42.059 -0.288 0.000 1.520 80 L HN 0.599 nan 8.230 nan 0.000 0.402 81 F N -0.308 119.691 119.950 0.080 0.000 2.440 81 F HA 0.834 5.362 4.527 0.002 0.000 0.328 81 F C 0.023 175.800 175.800 -0.038 0.000 1.070 81 F CA -0.952 57.092 58.000 0.073 0.000 1.011 81 F CB 2.115 41.240 39.000 0.208 0.000 1.226 81 F HN 0.226 nan 8.300 nan 0.000 0.491 82 V N 3.610 123.619 119.914 0.159 0.000 2.443 82 V HA 0.407 4.528 4.120 0.002 0.000 0.293 82 V C -0.603 175.453 176.094 -0.064 0.000 1.021 82 V CA -0.691 61.612 62.300 0.006 0.000 0.848 82 V CB 1.489 33.305 31.823 -0.011 0.000 0.998 82 V HN 0.491 nan 8.190 nan 0.000 0.424 83 L N 4.132 125.276 121.223 -0.132 0.000 2.319 83 L HA 0.565 4.906 4.340 0.002 0.000 0.281 83 L C 0.018 176.795 176.870 -0.156 0.000 1.005 83 L CA -0.614 54.104 54.840 -0.203 0.000 0.828 83 L CB 1.401 43.270 42.059 -0.317 0.000 1.227 83 L HN 0.619 nan 8.230 nan 0.000 0.415 84 D N 3.438 123.754 120.400 -0.140 0.000 2.701 84 D HA -0.207 4.434 4.640 0.002 0.000 0.235 84 D C 1.215 177.467 176.300 -0.081 0.000 1.155 84 D CA 1.505 55.444 54.000 -0.101 0.000 0.649 84 D CB -0.694 40.046 40.800 -0.099 0.000 1.050 84 D HN 1.108 nan 8.370 nan 0.000 0.425 85 G N -2.132 106.622 108.800 -0.076 0.000 2.184 85 G HA2 -0.326 3.635 3.960 0.002 0.000 0.264 85 G HA3 -0.326 3.635 3.960 0.002 0.000 0.264 85 G C 0.373 175.236 174.900 -0.063 0.000 0.975 85 G CA 0.306 45.369 45.100 -0.061 0.000 0.642 85 G HN 0.627 nan 8.290 nan 0.000 0.536 86 V N 2.208 122.076 119.914 -0.076 0.000 2.350 86 V HA 0.427 4.548 4.120 0.002 0.000 0.276 86 V C -1.783 174.261 176.094 -0.084 0.000 1.028 86 V CA -1.756 60.499 62.300 -0.075 0.000 0.860 86 V CB 1.556 33.333 31.823 -0.078 0.000 0.990 86 V HN 0.089 nan 8.190 nan 0.000 0.453 87 P HA 0.208 nan 4.420 nan 0.000 0.267 87 P C -0.359 176.860 177.300 -0.136 0.000 1.209 87 P CA 0.347 63.394 63.100 -0.088 0.000 0.763 87 P CB 0.309 31.959 31.700 -0.084 0.000 0.816 88 T N 5.275 119.743 114.554 -0.142 0.000 2.937 88 T HA 0.401 4.752 4.350 0.002 0.000 0.297 88 T C -2.666 171.930 174.700 -0.173 0.000 0.991 88 T CA -1.706 60.253 62.100 -0.235 0.000 0.990 88 T CB 1.319 70.073 68.868 -0.190 0.000 0.991 88 T HN 0.094 nan 8.240 nan 0.000 0.440 89 P HA 0.096 nan 4.420 nan 0.000 0.268 89 P C -0.477 176.880 177.300 0.094 0.000 1.208 89 P CA -0.295 62.661 63.100 -0.239 0.000 0.777 89 P CB 0.442 31.936 31.700 -0.343 0.000 0.875 90 D N 3.137 123.587 120.400 0.084 0.000 2.336 90 D HA 0.099 4.740 4.640 0.002 0.000 0.249 90 D C -1.599 174.827 176.300 0.211 0.000 1.213 90 D CA -2.106 52.075 54.000 0.300 0.000 0.870 90 D CB 0.323 41.305 40.800 0.303 0.000 1.076 90 D HN 0.117 nan 8.370 nan 0.000 0.483 91 P HA -0.110 nan 4.420 nan 0.000 0.221 91 P C 0.228 177.521 177.300 -0.011 0.000 1.145 91 P CA 1.048 64.152 63.100 0.006 0.000 0.795 91 P CB -0.026 31.500 31.700 -0.290 0.000 0.775 92 Y N -0.977 119.396 120.300 0.122 0.000 2.470 92 Y HA 0.387 4.938 4.550 0.001 0.000 0.284 92 Y C 1.249 177.161 175.900 0.021 0.000 1.188 92 Y CA -0.798 57.234 58.100 -0.113 0.000 1.269 92 Y CB -0.811 37.522 38.460 -0.212 0.000 1.094 92 Y HN -0.160 nan 8.280 nan 0.000 0.518 93 A N 0.879 123.854 122.820 0.259 0.000 2.567 93 A HA 0.032 4.353 4.320 0.002 0.000 0.240 93 A C 1.253 179.018 177.584 0.301 0.000 1.053 93 A CA -0.140 52.048 52.037 0.252 0.000 0.755 93 A CB 0.428 19.506 19.000 0.130 0.000 0.978 93 A HN 0.346 nan 8.150 nan 0.000 0.507 94 R N 0.443 121.137 120.500 0.323 0.000 2.280 94 R HA 0.245 4.586 4.340 0.002 0.000 0.195 94 R C -0.763 175.822 176.300 0.476 0.000 0.935 94 R CA 0.486 56.818 56.100 0.387 0.000 1.033 94 R CB -0.390 30.092 30.300 0.302 0.000 0.964 94 R HN 0.672 nan 8.270 nan 0.000 0.489 95 F N -0.744 119.311 119.950 0.175 0.000 2.688 95 F HA 0.350 4.878 4.527 0.002 0.000 0.308 95 F C -1.589 174.256 175.800 0.074 0.000 1.117 95 F CA -1.212 56.873 58.000 0.142 0.000 0.976 95 F CB 1.202 40.280 39.000 0.130 0.000 1.291 95 F HN -0.234 nan 8.300 nan 0.000 0.439 96 L N 7.369 128.232 121.223 -0.601 0.000 2.488 96 L HA 0.340 4.681 4.340 0.002 0.000 0.250 96 L C -1.867 174.569 176.870 -0.723 0.000 1.280 96 L CA -1.276 53.282 54.840 -0.471 0.000 0.929 96 L CB 1.484 43.401 42.059 -0.236 0.000 1.200 96 L HN 0.398 nan 8.230 nan 0.000 0.495 97 P HA -0.110 nan 4.420 nan 0.000 0.220 97 P C 0.260 177.383 177.300 -0.295 0.000 1.148 97 P CA 1.109 63.889 63.100 -0.533 0.000 0.803 97 P CB 0.360 31.971 31.700 -0.149 0.000 0.782 98 D N -0.533 119.730 120.400 -0.228 0.000 2.388 98 D HA 0.296 4.937 4.640 0.002 0.000 0.221 98 D C 1.297 177.511 176.300 -0.144 0.000 1.133 98 D CA 0.446 54.356 54.000 -0.150 0.000 0.831 98 D CB 0.344 41.087 40.800 -0.095 0.000 0.962 98 D HN 0.138 nan 8.370 nan 0.000 0.502 99 G N 0.752 109.425 108.800 -0.211 0.000 2.698 99 G HA2 -0.278 3.683 3.960 0.002 0.000 0.225 99 G HA3 -0.278 3.683 3.960 0.002 0.000 0.225 99 G C 0.961 175.767 174.900 -0.157 0.000 1.345 99 G CA -0.213 44.778 45.100 -0.182 0.000 0.871 99 G HN 0.363 nan 8.290 nan 0.000 0.540 100 V N -2.993 116.808 119.914 -0.188 0.000 3.217 100 V HA 0.134 4.255 4.120 0.002 0.000 0.264 100 V C 1.711 177.674 176.094 -0.218 0.000 1.135 100 V CA 2.235 64.417 62.300 -0.197 0.000 1.142 100 V CB -0.507 31.191 31.823 -0.209 0.000 0.754 100 V HN 0.761 nan 8.190 nan 0.000 0.484 101 H N 0.764 119.890 119.070 0.093 0.000 2.549 101 H HA 0.501 5.057 4.556 0.001 0.000 0.279 101 H C 1.129 176.427 175.328 -0.049 0.000 1.018 101 H CA 0.548 56.646 56.048 0.084 0.000 1.175 101 H CB 0.552 30.378 29.762 0.107 0.000 1.485 101 H HN 0.601 nan 8.280 nan 0.000 0.543 102 G N 0.262 109.050 108.800 -0.021 0.000 2.705 102 G HA2 0.283 4.244 3.960 0.002 0.000 0.299 102 G HA3 0.283 4.244 3.960 0.002 0.000 0.299 102 G C -0.337 174.471 174.900 -0.152 0.000 1.315 102 G CA -0.673 44.381 45.100 -0.078 0.000 1.045 102 G HN 0.113 nan 8.290 nan 0.000 0.517 103 E N -0.307 119.795 120.200 -0.163 0.000 2.392 103 E HA 0.386 4.737 4.350 0.002 0.000 0.264 103 E C 0.490 176.924 176.600 -0.277 0.000 1.024 103 E CA -0.127 56.132 56.400 -0.236 0.000 0.903 103 E CB 1.070 30.669 29.700 -0.169 0.000 0.963 103 E HN 0.540 nan 8.360 nan 0.000 0.432 104 A N 3.041 125.571 122.820 -0.482 0.000 2.332 104 A HA 0.142 4.463 4.320 0.002 0.000 0.258 104 A C 0.044 177.528 177.584 -0.168 0.000 1.087 104 A CA -0.299 51.492 52.037 -0.410 0.000 0.802 104 A CB 0.586 19.192 19.000 -0.658 0.000 1.042 104 A HN 0.725 nan 8.150 nan 0.000 0.489 105 E N 0.869 121.126 120.200 0.095 0.000 2.179 105 E HA 0.484 4.835 4.350 0.002 0.000 0.275 105 E C -1.135 175.665 176.600 0.333 0.000 0.945 105 E CA -0.704 55.838 56.400 0.237 0.000 0.792 105 E CB 1.319 31.185 29.700 0.278 0.000 1.125 105 E HN 0.408 nan 8.360 nan 0.000 0.397 106 V N 4.356 124.454 119.914 0.306 0.000 2.529 106 V HA 0.077 4.198 4.120 0.002 0.000 0.292 106 V C -0.008 176.094 176.094 0.013 0.000 1.028 106 V CA -0.113 62.266 62.300 0.133 0.000 1.074 106 V CB 0.855 32.684 31.823 0.011 0.000 0.958 106 V HN 0.442 nan 8.190 nan 0.000 0.481 107 V N 4.042 123.896 119.914 -0.101 0.000 2.495 107 V HA 0.418 4.539 4.120 0.002 0.000 0.298 107 V C -0.399 175.416 176.094 -0.465 0.000 1.031 107 V CA -0.630 61.505 62.300 -0.276 0.000 0.871 107 V CB 2.046 33.655 31.823 -0.357 0.000 0.988 107 V HN 0.909 nan 8.190 nan 0.000 0.432 108 D N 2.883 123.062 120.400 -0.369 0.000 2.392 108 D HA 0.372 5.013 4.640 0.002 0.000 0.228 108 D C 0.270 176.411 176.300 -0.265 0.000 1.074 108 D CA -0.445 53.379 54.000 -0.295 0.000 0.838 108 D CB 1.211 41.931 40.800 -0.133 0.000 1.067 108 D HN 0.294 nan 8.370 nan 0.000 0.511 109 F N 1.680 121.624 119.950 -0.011 0.000 2.661 109 F HA 0.182 4.710 4.527 0.001 0.000 0.298 109 F C 2.463 178.296 175.800 0.054 0.000 1.137 109 F CA 0.343 58.331 58.000 -0.021 0.000 1.454 109 F CB -0.115 38.865 39.000 -0.033 0.000 1.103 109 F HN 0.533 nan 8.300 nan 0.000 0.577 110 G N -0.983 107.926 108.800 0.182 0.000 2.598 110 G HA2 -0.119 3.842 3.960 0.002 0.000 0.215 110 G HA3 -0.119 3.842 3.960 0.002 0.000 0.215 110 G C 1.632 176.602 174.900 0.116 0.000 1.131 110 G CA 1.096 46.289 45.100 0.156 0.000 0.785 110 G HN 0.282 nan 8.290 nan 0.000 0.539 111 T N 0.459 115.059 114.554 0.077 0.000 2.809 111 T HA 0.049 4.399 4.350 0.002 0.000 0.260 111 T C 0.815 175.525 174.700 0.017 0.000 1.039 111 T CA -0.098 62.020 62.100 0.029 0.000 1.141 111 T CB -0.158 68.709 68.868 -0.002 0.000 0.869 111 T HN 0.165 nan 8.240 nan 0.000 0.437 112 F N 3.285 123.141 119.950 -0.156 0.000 2.608 112 F HA 0.090 4.618 4.527 0.002 0.000 0.380 112 F C -0.154 175.437 175.800 -0.348 0.000 1.083 112 F CA -0.690 57.107 58.000 -0.337 0.000 1.266 112 F CB 0.387 39.037 39.000 -0.584 0.000 1.076 112 F HN -0.022 nan 8.300 nan 0.000 0.574 113 D N 7.009 126.858 120.400 -0.917 0.000 2.517 113 D HA 0.042 4.683 4.640 0.002 0.000 0.220 113 D C -0.689 175.269 176.300 -0.571 0.000 1.158 113 D CA 0.105 53.778 54.000 -0.546 0.000 0.992 113 D CB -0.212 40.319 40.800 -0.448 0.000 1.058 113 D HN 0.409 nan 8.370 nan 0.000 0.516 114 W N 0.697 121.977 121.300 -0.034 0.000 2.193 114 W HA 0.051 4.712 4.660 0.001 0.000 0.338 114 W C 1.783 178.339 176.519 0.062 0.000 1.310 114 W CA -0.187 57.234 57.345 0.128 0.000 1.243 114 W CB 0.584 30.159 29.460 0.192 0.000 1.165 114 W HN 0.202 nan 8.180 nan 0.000 0.566 115 T N -2.231 112.533 114.554 0.351 0.000 3.182 115 T HA -0.005 4.346 4.350 0.002 0.000 0.277 115 T C 0.258 175.099 174.700 0.235 0.000 1.013 115 T CA -0.220 62.007 62.100 0.213 0.000 0.900 115 T CB -0.246 68.687 68.868 0.109 0.000 1.098 115 T HN 0.439 nan 8.240 nan 0.000 0.543 116 D N 0.707 121.307 120.400 0.334 0.000 2.615 116 D HA 0.399 5.040 4.640 0.002 0.000 0.236 116 D C 1.447 177.843 176.300 0.160 0.000 1.233 116 D CA -0.277 53.891 54.000 0.279 0.000 0.829 116 D CB 0.192 41.240 40.800 0.415 0.000 1.024 116 D HN 0.359 nan 8.370 nan 0.000 0.490 117 A N 0.606 123.499 122.820 0.122 0.000 2.019 117 A HA -0.158 4.163 4.320 0.002 0.000 0.219 117 A C 1.522 179.055 177.584 -0.084 0.000 1.164 117 A CA 1.075 53.133 52.037 0.036 0.000 0.644 117 A CB -0.140 18.904 19.000 0.074 0.000 0.805 117 A HN 0.111 nan 8.150 nan 0.000 0.449 118 D N -1.832 118.542 120.400 -0.044 0.000 2.340 118 D HA 0.008 4.649 4.640 0.002 0.000 0.220 118 D C 0.142 176.271 176.300 -0.285 0.000 1.039 118 D CA -0.104 53.843 54.000 -0.088 0.000 0.866 118 D CB -0.106 40.733 40.800 0.064 0.000 0.913 118 D HN 0.696 nan 8.370 nan 0.000 0.523 119 W N 1.122 122.117 121.300 -0.510 0.000 2.351 119 W HA 0.151 4.812 4.660 0.001 0.000 0.311 119 W C -0.639 175.401 176.519 -0.798 0.000 1.168 119 W CA -0.131 56.901 57.345 -0.522 0.000 1.200 119 W CB 0.479 29.680 29.460 -0.431 0.000 1.221 119 W HN 0.005 nan 8.180 nan 0.000 0.519 120 H N 3.886 122.355 119.070 -1.001 0.000 2.549 120 H HA 0.333 4.890 4.556 0.002 0.000 0.253 120 H C 0.959 175.703 175.328 -0.973 0.000 1.170 120 H CA 0.384 55.961 56.048 -0.785 0.000 0.943 120 H CB 0.343 29.828 29.762 -0.462 0.000 1.849 120 H HN 0.728 nan 8.280 nan 0.000 0.603 121 G N 0.820 108.701 108.800 -1.532 0.000 2.693 121 G HA2 -0.264 3.697 3.960 0.002 0.000 0.226 121 G HA3 -0.264 3.697 3.960 0.002 0.000 0.226 121 G C -0.691 173.803 174.900 -0.676 0.000 1.354 121 G CA -0.230 44.409 45.100 -0.769 0.000 0.873 121 G HN 0.421 nan 8.290 nan 0.000 0.562 122 I N -0.539 119.959 120.570 -0.121 0.000 2.656 122 I HA 0.529 4.700 4.170 0.002 0.000 0.292 122 I C 0.057 176.216 176.117 0.069 0.000 1.144 122 I CA -1.074 60.231 61.300 0.008 0.000 1.038 122 I CB 1.559 39.731 38.000 0.288 0.000 1.244 122 I HN 0.672 nan 8.210 nan 0.000 0.420 123 K N 5.096 125.497 120.400 0.002 0.000 2.237 123 K HA 0.144 4.465 4.320 0.002 0.000 0.270 123 K C 0.620 177.242 176.600 0.037 0.000 1.015 123 K CA -0.511 55.785 56.287 0.016 0.000 0.949 123 K CB 1.187 33.667 32.500 -0.033 0.000 0.976 123 K HN 0.475 nan 8.250 nan 0.000 0.472 124 L N 3.255 124.517 121.223 0.065 0.000 2.042 124 L HA -0.207 4.134 4.340 0.002 0.000 0.210 124 L C 2.001 178.842 176.870 -0.049 0.000 1.076 124 L CA 2.080 56.945 54.840 0.042 0.000 0.749 124 L CB -0.789 41.327 42.059 0.094 0.000 0.893 124 L HN 0.873 nan 8.230 nan 0.000 0.432 125 A N -1.490 121.305 122.820 -0.042 0.000 2.125 125 A HA -0.171 4.150 4.320 0.002 0.000 0.219 125 A C 1.620 179.148 177.584 -0.094 0.000 1.156 125 A CA 1.755 53.752 52.037 -0.067 0.000 0.671 125 A CB -0.575 18.391 19.000 -0.056 0.000 0.794 125 A HN 0.565 nan 8.150 nan 0.000 0.459 126 D N -1.356 118.985 120.400 -0.098 0.000 2.369 126 D HA 0.147 4.788 4.640 0.002 0.000 0.211 126 D C -0.271 175.939 176.300 -0.150 0.000 1.077 126 D CA 0.031 53.968 54.000 -0.105 0.000 0.842 126 D CB -0.080 40.675 40.800 -0.075 0.000 0.947 126 D HN 0.298 nan 8.370 nan 0.000 0.509 127 C N 1.254 120.399 119.300 -0.257 0.000 2.435 127 C HA 0.432 4.893 4.460 0.002 0.000 0.375 127 C C 0.589 175.285 174.990 -0.489 0.000 1.281 127 C CA -0.637 58.066 59.018 -0.525 0.000 1.963 127 C CB 0.732 27.825 27.740 -1.079 0.000 2.490 127 C HN -0.040 nan 8.230 nan 0.000 0.557 128 V N 5.007 124.676 119.914 -0.408 0.000 2.380 128 V HA 0.332 4.453 4.120 0.002 0.000 0.286 128 V C -0.401 175.570 176.094 -0.205 0.000 1.015 128 V CA -0.277 61.880 62.300 -0.238 0.000 0.834 128 V CB 0.432 32.209 31.823 -0.077 0.000 1.009 128 V HN 0.662 nan 8.190 nan 0.000 0.428 129 F N 3.797 123.730 119.950 -0.029 0.000 2.389 129 F HA 0.449 4.977 4.527 0.002 0.000 0.337 129 F C -0.137 175.712 175.800 0.081 0.000 1.112 129 F CA -0.383 57.608 58.000 -0.016 0.000 1.192 129 F CB 0.679 39.627 39.000 -0.086 0.000 1.185 129 F HN 0.479 nan 8.300 nan 0.000 0.552 130 Y N 2.370 122.789 120.300 0.199 0.000 2.349 130 Y HA 0.258 4.809 4.550 0.002 0.000 0.324 130 Y C -0.429 175.484 175.900 0.022 0.000 1.005 130 Y CA -0.850 57.300 58.100 0.083 0.000 1.240 130 Y CB 0.828 39.327 38.460 0.065 0.000 1.117 130 Y HN 0.653 nan 8.280 nan 0.000 0.463 131 E N 5.815 125.879 120.200 -0.226 0.000 2.223 131 E HA 0.464 4.815 4.350 0.002 0.000 0.282 131 E C -1.225 175.121 176.600 -0.423 0.000 1.046 131 E CA -0.606 55.707 56.400 -0.145 0.000 0.857 131 E CB 0.751 30.496 29.700 0.075 0.000 1.055 131 E HN 0.502 nan 8.360 nan 0.000 0.409 132 V N 2.618 122.376 119.914 -0.260 0.000 2.540 132 V HA 0.359 4.480 4.120 0.002 0.000 0.302 132 V C -0.475 175.509 176.094 -0.183 0.000 1.035 132 V CA -0.915 61.159 62.300 -0.376 0.000 0.873 132 V CB 1.579 33.038 31.823 -0.607 0.000 0.992 132 V HN 0.726 nan 8.190 nan 0.000 0.428 133 H N 3.809 122.781 119.070 -0.163 0.000 2.597 133 H HA 0.406 4.963 4.556 0.002 0.000 0.303 133 H C 0.509 175.914 175.328 0.128 0.000 1.057 133 H CA -0.150 55.943 56.048 0.075 0.000 1.261 133 H CB 2.083 32.037 29.762 0.320 0.000 1.397 133 H HN 0.646 nan 8.280 nan 0.000 0.461 134 V N 4.755 124.344 119.914 -0.541 0.000 2.324 134 V HA -0.260 3.861 4.120 0.002 0.000 0.250 134 V C 2.553 178.437 176.094 -0.349 0.000 1.060 134 V CA 2.298 64.268 62.300 -0.549 0.000 1.042 134 V CB -0.694 30.482 31.823 -1.078 0.000 0.650 134 V HN 0.928 nan 8.190 nan 0.000 0.450 135 G N -0.274 108.335 108.800 -0.319 0.000 2.422 135 G HA2 -0.214 3.747 3.960 0.002 0.000 0.218 135 G HA3 -0.214 3.747 3.960 0.002 0.000 0.218 135 G C 1.589 176.866 174.900 0.628 0.000 1.140 135 G CA 1.566 46.968 45.100 0.504 0.000 0.775 135 G HN 0.610 nan 8.290 nan 0.000 0.545 136 T N -3.104 111.899 114.554 0.748 0.000 3.001 136 T HA 0.176 4.527 4.350 0.002 0.000 0.251 136 T C 1.819 176.781 174.700 0.437 0.000 1.040 136 T CA -0.111 62.286 62.100 0.495 0.000 0.985 136 T CB -0.135 69.098 68.868 0.609 0.000 1.011 136 T HN 0.041 nan 8.240 nan 0.000 0.509 137 F N 4.425 124.547 119.950 0.287 0.000 2.269 137 F HA 0.134 4.662 4.527 0.002 0.000 0.301 137 F C 0.839 176.928 175.800 0.482 0.000 1.082 137 F CA 0.998 59.184 58.000 0.309 0.000 1.360 137 F CB -0.361 38.783 39.000 0.240 0.000 1.041 137 F HN 0.356 nan 8.300 nan 0.000 0.512 138 T N -4.668 110.064 114.554 0.297 0.000 2.864 138 T HA 0.385 4.736 4.350 0.002 0.000 0.299 138 T C -2.062 172.718 174.700 0.133 0.000 1.166 138 T CA -1.777 60.419 62.100 0.160 0.000 1.007 138 T CB 1.580 70.447 68.868 -0.001 0.000 1.219 138 T HN -0.375 nan 8.240 nan 0.000 0.506 139 P HA -0.098 nan 4.420 nan 0.000 0.214 139 P C 1.153 178.489 177.300 0.060 0.000 1.163 139 P CA 1.348 64.478 63.100 0.049 0.000 0.889 139 P CB 0.052 31.766 31.700 0.023 0.000 0.790 140 E N -1.379 118.853 120.200 0.053 0.000 2.153 140 E HA 0.042 4.393 4.350 0.002 0.000 0.194 140 E C 1.354 178.029 176.600 0.124 0.000 0.988 140 E CA 1.116 57.559 56.400 0.071 0.000 0.811 140 E CB -0.932 28.793 29.700 0.041 0.000 0.746 140 E HN 0.207 nan 8.360 nan 0.000 0.466 141 G N 1.239 110.122 108.800 0.138 0.000 2.246 141 G HA2 -0.280 3.681 3.960 0.002 0.000 0.273 141 G HA3 -0.280 3.681 3.960 0.002 0.000 0.273 141 G C 0.182 175.130 174.900 0.081 0.000 1.055 141 G CA 0.614 45.825 45.100 0.185 0.000 0.851 141 G HN 0.406 nan 8.290 nan 0.000 0.500 142 T N -3.885 110.676 114.554 0.012 0.000 2.916 142 T HA 0.646 4.997 4.350 0.002 0.000 0.292 142 T C 0.973 175.618 174.700 -0.092 0.000 1.064 142 T CA -0.360 61.681 62.100 -0.098 0.000 1.011 142 T CB 1.349 70.212 68.868 -0.008 0.000 1.152 142 T HN 0.151 nan 8.240 nan 0.000 0.510 143 Y N 0.092 120.447 120.300 0.093 0.000 2.224 143 Y HA -0.087 4.464 4.550 0.001 0.000 0.289 143 Y C 2.996 178.934 175.900 0.064 0.000 1.146 143 Y CA 0.389 58.531 58.100 0.069 0.000 1.182 143 Y CB -0.216 38.290 38.460 0.077 0.000 0.983 143 Y HN 0.358 nan 8.280 nan 0.000 0.524 144 R N 0.398 121.015 120.500 0.196 0.000 2.081 144 R HA -0.110 4.231 4.340 0.002 0.000 0.235 144 R C 2.463 178.808 176.300 0.075 0.000 1.131 144 R CA 1.203 57.375 56.100 0.120 0.000 0.960 144 R CB -1.063 29.289 30.300 0.087 0.000 0.856 144 R HN 0.399 nan 8.270 nan 0.000 0.436 145 A N 1.035 123.890 122.820 0.059 0.000 1.930 145 A HA -0.020 4.300 4.320 0.002 0.000 0.217 145 A C 2.374 179.978 177.584 0.035 0.000 1.175 145 A CA 1.622 53.665 52.037 0.010 0.000 0.627 145 A CB -0.486 18.511 19.000 -0.006 0.000 0.815 145 A HN 0.335 nan 8.150 nan 0.000 0.443 146 A N 0.042 122.964 122.820 0.169 0.000 1.902 146 A HA 0.136 4.457 4.320 0.002 0.000 0.217 146 A C 2.489 180.222 177.584 0.248 0.000 1.181 146 A CA 2.055 54.309 52.037 0.362 0.000 0.623 146 A CB -1.018 18.216 19.000 0.390 0.000 0.818 146 A HN 1.082 nan 8.150 nan 0.000 0.443 147 A N -0.318 122.589 122.820 0.146 0.000 1.978 147 A HA -0.166 4.155 4.320 0.002 0.000 0.220 147 A C 1.817 179.427 177.584 0.043 0.000 1.170 147 A CA 1.706 53.794 52.037 0.085 0.000 0.636 147 A CB -0.419 18.617 19.000 0.061 0.000 0.810 147 A HN 0.469 nan 8.150 nan 0.000 0.448 148 E N 0.159 120.361 120.200 0.002 0.000 2.333 148 E HA -0.119 4.232 4.350 0.002 0.000 0.198 148 E C 1.204 177.746 176.600 -0.097 0.000 1.007 148 E CA 0.755 57.118 56.400 -0.061 0.000 0.845 148 E CB -0.120 29.514 29.700 -0.110 0.000 0.766 148 E HN 0.504 nan 8.360 nan 0.000 0.507 149 K N 0.336 120.693 120.400 -0.071 0.000 2.404 149 K HA 0.140 4.461 4.320 0.002 0.000 0.194 149 K C 2.118 178.812 176.600 0.157 0.000 1.023 149 K CA -0.072 56.184 56.287 -0.052 0.000 1.094 149 K CB 0.135 32.557 32.500 -0.130 0.000 0.841 149 K HN 0.174 nan 8.250 nan 0.000 0.523 150 L N 1.221 122.512 121.223 0.112 0.000 2.012 150 L HA -0.173 4.168 4.340 0.002 0.000 0.210 150 L C -0.658 176.246 176.870 0.057 0.000 1.073 150 L CA 1.687 56.576 54.840 0.082 0.000 0.748 150 L CB -1.611 40.470 42.059 0.036 0.000 0.891 150 L HN 0.069 nan 8.230 nan 0.000 0.431 151 P HA -0.241 nan 4.420 nan 0.000 0.215 151 P C 1.397 178.733 177.300 0.059 0.000 1.153 151 P CA 1.354 64.477 63.100 0.039 0.000 0.853 151 P CB -0.119 31.600 31.700 0.032 0.000 0.788 152 Y N 0.637 120.934 120.300 -0.004 0.000 2.128 152 Y HA -0.220 4.331 4.550 0.002 0.000 0.284 152 Y C 2.034 177.961 175.900 0.044 0.000 1.154 152 Y CA 1.568 59.688 58.100 0.034 0.000 1.149 152 Y CB -1.193 37.298 38.460 0.053 0.000 0.976 152 Y HN -0.209 nan 8.280 nan 0.000 0.505 153 L N 0.162 121.302 121.223 -0.139 0.000 2.046 153 L HA -0.220 4.121 4.340 0.002 0.000 0.208 153 L C 2.550 179.288 176.870 -0.221 0.000 1.077 153 L CA 1.851 56.517 54.840 -0.290 0.000 0.747 153 L CB -0.648 41.321 42.059 -0.151 0.000 0.896 153 L HN 0.161 nan 8.230 nan 0.000 0.432 154 K N 0.454 120.787 120.400 -0.111 0.000 2.032 154 K HA -0.232 4.089 4.320 0.002 0.000 0.209 154 K C 2.115 178.667 176.600 -0.079 0.000 1.048 154 K CA 1.534 57.781 56.287 -0.066 0.000 0.927 154 K CB -0.269 32.216 32.500 -0.026 0.000 0.712 154 K HN 0.092 nan 8.250 nan 0.000 0.441 155 E N 0.345 120.486 120.200 -0.098 0.000 2.110 155 E HA -0.165 4.186 4.350 0.002 0.000 0.193 155 E C 1.951 178.482 176.600 -0.115 0.000 0.988 155 E CA 1.029 57.381 56.400 -0.080 0.000 0.804 155 E CB -0.272 29.398 29.700 -0.049 0.000 0.745 155 E HN 0.286 nan 8.360 nan 0.000 0.458 156 L N 0.048 121.121 121.223 -0.249 0.000 2.013 156 L HA -0.140 4.201 4.340 0.002 0.000 0.212 156 L C 1.622 178.450 176.870 -0.069 0.000 1.073 156 L CA 2.784 57.494 54.840 -0.216 0.000 0.753 156 L CB -0.472 41.344 42.059 -0.405 0.000 0.890 156 L HN 0.358 nan 8.230 nan 0.000 0.432 157 G N -2.037 106.721 108.800 -0.069 0.000 2.183 157 G HA2 -0.143 3.818 3.960 0.002 0.000 0.168 157 G HA3 -0.143 3.818 3.960 0.002 0.000 0.168 157 G C 0.257 175.155 174.900 -0.003 0.000 1.008 157 G CA 0.132 45.222 45.100 -0.018 0.000 0.677 157 G HN 0.831 nan 8.290 nan 0.000 0.498 158 V N -0.818 119.089 119.914 -0.011 0.000 3.133 158 V HA 0.838 4.959 4.120 0.002 0.000 0.305 158 V C 1.179 177.273 176.094 0.001 0.000 1.084 158 V CA 1.243 63.556 62.300 0.021 0.000 1.089 158 V CB 1.397 33.273 31.823 0.089 0.000 1.073 158 V HN 1.012 nan 8.190 nan 0.000 0.477 159 T N -2.099 112.454 114.554 -0.003 0.000 3.041 159 T HA 0.672 5.023 4.350 0.002 0.000 0.276 159 T C 0.246 174.983 174.700 0.060 0.000 0.948 159 T CA 0.442 62.554 62.100 0.020 0.000 0.885 159 T CB 0.210 69.078 68.868 0.000 0.000 1.175 159 T HN 1.826 nan 8.240 nan 0.000 0.529 160 A N 1.816 124.660 122.820 0.040 0.000 2.465 160 A HA 0.669 4.990 4.320 0.002 0.000 0.292 160 A C -1.129 176.625 177.584 0.283 0.000 1.041 160 A CA -0.845 51.286 52.037 0.157 0.000 0.718 160 A CB 0.994 19.913 19.000 -0.135 0.000 1.266 160 A HN 0.310 nan 8.150 nan 0.000 0.403 161 I N 2.051 122.824 120.570 0.339 0.000 2.304 161 I HA 0.337 4.508 4.170 0.002 0.000 0.291 161 I C 0.214 176.552 176.117 0.369 0.000 1.018 161 I CA -0.332 61.147 61.300 0.299 0.000 1.260 161 I CB 0.965 39.066 38.000 0.168 0.000 1.390 161 I HN 0.795 nan 8.210 nan 0.000 0.475 162 Q N 6.706 126.685 119.800 0.298 0.000 2.421 162 Q HA 0.441 4.782 4.340 0.002 0.000 0.242 162 Q C -0.997 175.072 176.000 0.115 0.000 1.024 162 Q CA -0.233 55.701 55.803 0.217 0.000 0.891 162 Q CB 0.999 29.802 28.738 0.108 0.000 1.222 162 Q HN 0.524 nan 8.270 nan 0.000 0.483 166 L N -0.117 121.033 121.223 -0.121 0.000 2.664 166 L HA 0.449 4.790 4.340 0.002 0.000 0.233 166 L C 0.960 177.993 176.870 0.272 0.000 1.113 166 L CA -0.154 54.781 54.840 0.158 0.000 0.896 166 L CB 0.121 42.221 42.059 0.068 0.000 1.163 166 L HN 0.565 nan 8.230 nan 0.000 0.497 167 A N 1.431 124.377 122.820 0.210 0.000 2.540 167 A HA 0.419 4.740 4.320 0.002 0.000 0.239 167 A C 0.801 178.594 177.584 0.349 0.000 1.061 167 A CA 0.152 52.406 52.037 0.361 0.000 0.758 167 A CB 0.056 19.236 19.000 0.299 0.000 0.991 167 A HN 0.280 nan 8.150 nan 0.000 0.502 168 A N 2.326 125.345 122.820 0.332 0.000 2.546 168 A HA 0.495 4.816 4.320 0.002 0.000 0.243 168 A C 0.043 177.757 177.584 0.217 0.000 1.063 168 A CA 0.372 52.530 52.037 0.201 0.000 0.757 168 A CB -0.633 18.451 19.000 0.139 0.000 0.991 168 A HN 1.495 nan 8.150 nan 0.000 0.503 169 F N -0.009 119.978 119.950 0.061 0.000 2.631 169 F HA 0.720 5.247 4.527 0.002 0.000 0.328 169 F C -0.308 175.502 175.800 0.016 0.000 1.067 169 F CA -1.726 56.264 58.000 -0.017 0.000 0.969 169 F CB 0.769 39.680 39.000 -0.147 0.000 1.332 169 F HN 0.409 nan 8.300 nan 0.000 0.490 170 D N 0.097 120.631 120.400 0.224 0.000 2.339 170 D HA 0.497 5.138 4.640 0.002 0.000 0.245 170 D C 0.376 176.723 176.300 0.079 0.000 1.115 170 D CA 1.515 55.581 54.000 0.111 0.000 0.917 170 D CB 1.342 42.258 40.800 0.192 0.000 1.192 170 D HN 1.133 nan 8.370 nan 0.000 0.428 171 G N 2.200 111.029 108.800 0.048 0.000 2.712 171 G HA2 -0.160 3.801 3.960 0.002 0.000 0.683 171 G HA3 -0.160 3.801 3.960 0.002 0.000 0.683 171 G C 0.150 175.094 174.900 0.074 0.000 1.320 171 G CA -0.406 44.714 45.100 0.033 0.000 0.847 171 G HN 0.437 nan 8.290 nan 0.000 0.553 172 Q N -0.001 119.822 119.800 0.039 0.000 2.282 172 Q HA 0.138 4.479 4.340 0.002 0.000 0.206 172 Q C 1.422 177.440 176.000 0.031 0.000 0.878 172 Q CA 1.158 56.968 55.803 0.011 0.000 0.944 172 Q CB 0.518 29.232 28.738 -0.039 0.000 1.100 172 Q HN 0.847 nan 8.270 nan 0.000 0.509 173 R N -1.845 118.690 120.500 0.059 0.000 2.733 173 R HA 0.767 5.108 4.340 0.002 0.000 0.272 173 R C -0.750 175.751 176.300 0.335 0.000 1.029 173 R CA -0.395 55.742 56.100 0.062 0.000 0.888 173 R CB 0.660 30.400 30.300 -0.934 0.000 1.251 173 R HN -0.037 nan 8.270 nan 0.000 0.464 174 G N -0.854 108.243 108.800 0.496 0.000 2.377 174 G HA2 0.305 4.266 3.960 0.002 0.000 0.297 174 G HA3 0.305 4.266 3.960 0.002 0.000 0.297 174 G C -1.068 173.928 174.900 0.160 0.000 1.547 174 G CA -0.697 44.389 45.100 -0.023 0.000 0.833 174 G HN 0.423 nan 8.290 nan 0.000 0.583 175 W N 0.272 121.312 121.300 -0.435 0.000 2.388 175 W HA 0.275 4.936 4.660 0.002 0.000 0.294 175 W C 2.153 178.564 176.519 -0.181 0.000 1.212 175 W CA 2.268 59.533 57.345 -0.134 0.000 1.271 175 W CB -0.103 29.392 29.460 0.059 0.000 1.126 175 W HN 1.806 nan 8.180 nan 0.000 0.535 176 G N -3.270 105.264 108.800 -0.444 0.000 2.296 176 G HA2 -0.271 3.690 3.960 0.002 0.000 0.188 176 G HA3 -0.271 3.690 3.960 0.002 0.000 0.188 176 G C 0.610 175.150 174.900 -0.599 0.000 1.000 176 G CA -0.011 44.705 45.100 -0.640 0.000 0.672 176 G HN 0.252 nan 8.290 nan 0.000 0.483 177 Y N 1.719 121.987 120.300 -0.052 0.000 2.578 177 Y HA 0.211 4.762 4.550 0.002 0.000 0.297 177 Y C 1.709 177.722 175.900 0.189 0.000 1.176 177 Y CA 0.927 59.087 58.100 0.100 0.000 1.315 177 Y CB 0.256 38.875 38.460 0.265 0.000 1.031 177 Y HN 0.153 nan 8.280 nan 0.000 0.524 178 D N -0.423 120.007 120.400 0.049 0.000 2.340 178 D HA 0.094 4.735 4.640 0.002 0.000 0.217 178 D C 1.161 177.533 176.300 0.121 0.000 1.081 178 D CA 0.131 54.162 54.000 0.052 0.000 0.842 178 D CB -0.143 40.654 40.800 -0.005 0.000 0.934 178 D HN 0.227 nan 8.370 nan 0.000 0.511 179 G N 0.641 109.515 108.800 0.123 0.000 2.163 179 G HA2 0.153 4.114 3.960 0.002 0.000 0.239 179 G HA3 0.153 4.114 3.960 0.002 0.000 0.239 179 G C 0.837 176.015 174.900 0.463 0.000 1.148 179 G CA 0.410 45.694 45.100 0.308 0.000 0.880 179 G HN 0.223 nan 8.290 nan 0.000 0.466 180 A N 2.247 125.361 122.820 0.490 0.000 2.066 180 A HA 0.712 5.032 4.320 0.002 0.000 0.198 180 A C 1.432 179.323 177.584 0.512 0.000 1.405 180 A CA 1.097 53.430 52.037 0.494 0.000 0.973 180 A CB 0.415 19.568 19.000 0.254 0.000 1.026 180 A HN 1.762 nan 8.150 nan 0.000 0.474 181 A N -0.123 122.995 122.820 0.496 0.000 2.511 181 A HA 0.620 4.941 4.320 0.002 0.000 0.340 181 A C 0.115 178.093 177.584 0.658 0.000 1.396 181 A CA -0.561 51.762 52.037 0.477 0.000 0.887 181 A CB -0.336 18.852 19.000 0.314 0.000 1.145 181 A HN 0.192 nan 8.150 nan 0.000 0.497 182 F N 0.489 120.750 119.950 0.519 0.000 2.365 182 F HA -0.064 4.464 4.527 0.002 0.000 0.300 182 F C 1.230 177.147 175.800 0.194 0.000 1.090 182 F CA 1.196 59.414 58.000 0.362 0.000 1.408 182 F CB -0.698 38.504 39.000 0.337 0.000 1.060 182 F HN 0.776 nan 8.300 nan 0.000 0.534 183 Y N -0.632 119.833 120.300 0.274 0.000 2.490 183 Y HA 0.384 4.935 4.550 0.001 0.000 0.281 183 Y C 1.111 177.063 175.900 0.087 0.000 1.174 183 Y CA 0.083 58.190 58.100 0.012 0.000 1.295 183 Y CB -0.083 38.397 38.460 0.032 0.000 1.062 183 Y HN -0.108 nan 8.280 nan 0.000 0.522 184 A N 1.202 124.259 122.820 0.396 0.000 2.267 184 A HA 0.494 4.815 4.320 0.002 0.000 0.315 184 A C -2.747 175.120 177.584 0.472 0.000 1.297 184 A CA -1.913 50.371 52.037 0.412 0.000 0.865 184 A CB 0.176 19.368 19.000 0.320 0.000 1.165 184 A HN -0.107 nan 8.150 nan 0.000 0.513 185 P HA -0.023 nan 4.420 nan 0.000 0.264 185 P C -0.553 177.065 177.300 0.530 0.000 1.193 185 P CA 0.285 63.747 63.100 0.603 0.000 0.763 185 P CB 0.076 32.116 31.700 0.566 0.000 0.810 186 Y N 4.005 124.422 120.300 0.196 0.000 2.745 186 Y HA 0.088 4.639 4.550 0.002 0.000 0.335 186 Y C 1.512 177.337 175.900 -0.125 0.000 1.212 186 Y CA -0.206 57.788 58.100 -0.178 0.000 1.535 186 Y CB -0.086 38.037 38.460 -0.561 0.000 1.220 186 Y HN 0.564 nan 8.280 nan 0.000 0.531 187 A N 7.441 129.977 122.820 -0.474 0.000 1.908 187 A HA -0.130 4.191 4.320 0.002 0.000 0.218 187 A C -0.260 177.118 177.584 -0.343 0.000 1.181 187 A CA 1.561 53.435 52.037 -0.271 0.000 0.627 187 A CB -1.701 17.017 19.000 -0.470 0.000 0.818 187 A HN 0.729 nan 8.150 nan 0.000 0.445 188 P HA -0.171 nan 4.420 nan 0.000 0.218 188 P C 0.903 178.100 177.300 -0.170 0.000 1.146 188 P CA 1.114 63.921 63.100 -0.488 0.000 0.813 188 P CB -0.213 31.071 31.700 -0.694 0.000 0.778 189 Y N -1.358 118.761 120.300 -0.303 0.000 2.439 189 Y HA 0.124 4.675 4.550 0.002 0.000 0.292 189 Y C 1.537 177.110 175.900 -0.545 0.000 1.130 189 Y CA -0.116 57.711 58.100 -0.455 0.000 1.254 189 Y CB 0.026 38.061 38.460 -0.708 0.000 1.000 189 Y HN 0.007 nan 8.280 nan 0.000 0.554 190 G N 0.003 108.816 108.800 0.022 0.000 2.369 190 G HA2 0.073 4.034 3.960 0.002 0.000 0.307 190 G HA3 0.073 4.034 3.960 0.002 0.000 0.307 190 G C -1.435 173.668 174.900 0.338 0.000 1.327 190 G CA -1.188 44.034 45.100 0.203 0.000 0.963 190 G HN -0.023 nan 8.290 nan 0.000 0.590 191 R N 0.438 121.037 120.500 0.165 0.000 2.546 191 R HA 0.420 4.761 4.340 0.002 0.000 0.266 191 R C -1.473 174.729 176.300 -0.163 0.000 1.086 191 R CA -1.317 54.643 56.100 -0.233 0.000 1.160 191 R CB 0.848 31.025 30.300 -0.205 0.000 1.138 191 R HN 0.246 nan 8.270 nan 0.000 0.567 192 P HA -0.249 nan 4.420 nan 0.000 0.216 192 P C 0.831 178.147 177.300 0.027 0.000 1.153 192 P CA 1.402 64.521 63.100 0.030 0.000 0.858 192 P CB 0.127 31.836 31.700 0.016 0.000 0.789 193 E N -0.508 119.649 120.200 -0.072 0.000 2.204 193 E HA -0.187 4.164 4.350 0.002 0.000 0.194 193 E C 1.083 177.654 176.600 -0.048 0.000 0.989 193 E CA 1.203 57.554 56.400 -0.080 0.000 0.824 193 E CB -1.060 28.672 29.700 0.053 0.000 0.756 193 E HN 0.282 nan 8.360 nan 0.000 0.477 194 D N 1.109 121.531 120.400 0.037 0.000 2.144 194 D HA -0.052 4.589 4.640 0.002 0.000 0.200 194 D C 1.316 177.628 176.300 0.021 0.000 0.978 194 D CA 0.307 54.382 54.000 0.126 0.000 0.833 194 D CB -0.247 40.728 40.800 0.292 0.000 0.961 194 D HN 0.175 nan 8.370 nan 0.000 0.470 198 L N 1.259 122.431 121.223 -0.085 0.000 2.017 198 L HA -0.029 4.312 4.340 0.002 0.000 0.208 198 L C 2.172 178.943 176.870 -0.165 0.000 1.073 198 L CA 2.873 57.663 54.840 -0.082 0.000 0.745 198 L CB -0.609 41.403 42.059 -0.078 0.000 0.894 198 L HN 0.254 nan 8.230 nan 0.000 0.432 199 V N -0.103 119.658 119.914 -0.255 0.000 2.343 199 V HA -0.291 3.830 4.120 0.002 0.000 0.247 199 V C 2.330 178.215 176.094 -0.348 0.000 1.051 199 V CA 1.969 64.024 62.300 -0.409 0.000 1.036 199 V CB -0.815 30.753 31.823 -0.426 0.000 0.654 199 V HN 0.550 nan 8.190 nan 0.000 0.451 200 D N 0.152 120.563 120.400 0.019 0.000 2.117 200 D HA -0.142 4.499 4.640 0.002 0.000 0.197 200 D C 2.135 178.465 176.300 0.050 0.000 0.987 200 D CA 1.478 55.602 54.000 0.206 0.000 0.829 200 D CB -0.153 40.844 40.800 0.327 0.000 0.961 200 D HN 0.369 nan 8.370 nan 0.000 0.460 201 A N 0.416 123.232 122.820 -0.007 0.000 1.902 201 A HA 0.012 4.333 4.320 0.002 0.000 0.217 201 A C 2.346 179.890 177.584 -0.067 0.000 1.181 201 A CA 2.138 54.164 52.037 -0.019 0.000 0.623 201 A CB -1.069 17.924 19.000 -0.011 0.000 0.818 201 A HN 0.317 nan 8.150 nan 0.000 0.443 202 A N -0.718 122.014 122.820 -0.147 0.000 1.877 202 A HA -0.206 4.115 4.320 0.002 0.000 0.216 202 A C 1.945 179.381 177.584 -0.245 0.000 1.186 202 A CA 1.731 53.655 52.037 -0.189 0.000 0.620 202 A CB -1.072 17.779 19.000 -0.249 0.000 0.822 202 A HN 0.761 nan 8.150 nan 0.000 0.443 203 H N -1.296 117.531 119.070 -0.405 0.000 2.387 203 H HA -0.057 4.500 4.556 0.002 0.000 0.299 203 H C 2.303 177.447 175.328 -0.306 0.000 1.090 203 H CA 0.817 56.451 56.048 -0.691 0.000 1.332 203 H CB 0.105 29.506 29.762 -0.602 0.000 1.386 203 H HN 0.235 nan 8.280 nan 0.000 0.516 204 R N 0.721 121.224 120.500 0.005 0.000 2.152 204 R HA -0.064 4.277 4.340 0.002 0.000 0.232 204 R C 1.940 178.254 176.300 0.023 0.000 1.117 204 R CA 0.653 56.778 56.100 0.042 0.000 0.981 204 R CB -0.332 29.997 30.300 0.049 0.000 0.870 204 R HN 0.392 nan 8.270 nan 0.000 0.451 205 L N -0.442 120.770 121.223 -0.018 0.000 2.591 205 L HA 0.144 4.485 4.340 0.002 0.000 0.228 205 L C 0.926 177.798 176.870 0.004 0.000 1.133 205 L CA 0.484 55.320 54.840 -0.006 0.000 0.880 205 L CB 0.021 42.069 42.059 -0.017 0.000 1.033 205 L HN 0.344 nan 8.230 nan 0.000 0.450 206 G N 0.738 109.522 108.800 -0.026 0.000 2.149 206 G HA2 -0.255 3.705 3.960 0.002 0.000 0.235 206 G HA3 -0.255 3.705 3.960 0.002 0.000 0.235 206 G C -0.055 174.852 174.900 0.012 0.000 1.018 206 G CA -0.233 44.928 45.100 0.102 0.000 0.728 206 G HN 0.222 nan 8.290 nan 0.000 0.508 207 L N 0.605 121.691 121.223 -0.229 0.000 2.307 207 L HA 0.698 5.039 4.340 0.002 0.000 0.284 207 L C 1.265 178.005 176.870 -0.215 0.000 1.023 207 L CA -0.586 54.186 54.840 -0.114 0.000 0.810 207 L CB 1.620 43.645 42.059 -0.055 0.000 1.231 207 L HN 0.194 nan 8.230 nan 0.000 0.423 208 G N 1.985 110.899 108.800 0.191 0.000 2.572 208 G HA2 0.493 4.454 3.960 0.002 0.000 0.261 208 G HA3 0.493 4.454 3.960 0.002 0.000 0.261 208 G C -0.712 174.438 174.900 0.417 0.000 1.197 208 G CA -0.249 45.135 45.100 0.473 0.000 0.870 208 G HN 0.338 nan 8.290 nan 0.000 0.548 209 V N 0.829 121.005 119.914 0.437 0.000 2.569 209 V HA 0.474 4.595 4.120 0.002 0.000 0.301 209 V C -0.982 175.437 176.094 0.541 0.000 1.044 209 V CA -0.573 61.959 62.300 0.387 0.000 0.874 209 V CB 1.292 33.096 31.823 -0.031 0.000 1.002 209 V HN 0.633 nan 8.190 nan 0.000 0.424 210 F N 4.139 124.332 119.950 0.406 0.000 2.522 210 F HA 0.765 5.292 4.527 0.001 0.000 0.324 210 F C -0.328 175.513 175.800 0.069 0.000 1.077 210 F CA -0.967 57.213 58.000 0.300 0.000 0.944 210 F CB 2.166 41.315 39.000 0.249 0.000 1.175 210 F HN 0.348 nan 8.300 nan 0.000 0.468 211 L N 2.500 123.602 121.223 -0.201 0.000 2.341 211 L HA 0.450 4.791 4.340 0.002 0.000 0.278 211 L C -0.788 175.790 176.870 -0.487 0.000 1.005 211 L CA -0.454 54.010 54.840 -0.626 0.000 0.818 211 L CB 1.274 42.386 42.059 -1.578 0.000 1.259 211 L HN 0.425 nan 8.230 nan 0.000 0.418 212 D N 3.417 123.560 120.400 -0.428 0.000 2.343 212 D HA 0.367 5.008 4.640 0.002 0.000 0.255 212 D C -0.759 175.201 176.300 -0.566 0.000 1.187 212 D CA 0.216 53.970 54.000 -0.410 0.000 0.875 212 D CB 0.948 41.572 40.800 -0.294 0.000 1.136 212 D HN 0.408 nan 8.370 nan 0.000 0.469 213 V N 1.297 120.843 119.914 -0.612 0.000 2.823 213 V HA 0.657 4.778 4.120 0.002 0.000 0.312 213 V C -0.444 175.156 176.094 -0.823 0.000 1.072 213 V CA -0.900 60.910 62.300 -0.818 0.000 0.937 213 V CB 2.065 33.267 31.823 -1.035 0.000 1.013 213 V HN 0.182 nan 8.190 nan 0.000 0.430 214 V N 5.000 124.399 119.914 -0.858 0.000 2.289 214 V HA 0.352 4.473 4.120 0.002 0.000 0.272 214 V C -0.610 175.292 176.094 -0.319 0.000 1.026 214 V CA -0.135 61.858 62.300 -0.513 0.000 0.807 214 V CB 0.311 31.884 31.823 -0.416 0.000 1.044 214 V HN 0.927 nan 8.190 nan 0.000 0.443 215 Y N 2.651 122.921 120.300 -0.050 0.000 2.571 215 Y HA 0.152 4.703 4.550 0.001 0.000 0.275 215 Y C 1.566 177.668 175.900 0.338 0.000 1.179 215 Y CA -0.998 57.217 58.100 0.191 0.000 1.242 215 Y CB -0.667 37.912 38.460 0.199 0.000 1.126 215 Y HN 0.813 nan 8.280 nan 0.000 0.524 216 N N -0.695 118.244 118.700 0.399 0.000 2.250 216 N HA 0.011 4.752 4.740 0.002 0.000 0.190 216 N C 0.171 175.997 175.510 0.526 0.000 1.116 216 N CA 0.166 53.499 53.050 0.472 0.000 0.881 216 N CB 0.364 39.112 38.487 0.434 0.000 1.006 216 N HN 0.216 nan 8.380 nan 0.000 0.491 217 H N -2.268 117.008 119.070 0.343 0.000 3.024 217 H HA 0.308 4.865 4.556 0.002 0.000 0.324 217 H C -1.847 173.668 175.328 0.311 0.000 1.347 217 H CA -1.029 55.244 56.048 0.375 0.000 1.182 217 H CB 0.155 30.137 29.762 0.366 0.000 1.889 217 H HN -0.131 nan 8.280 nan 0.000 0.528 218 F N 0.692 120.917 119.950 0.458 0.000 2.425 218 F HA 0.514 5.041 4.527 0.001 0.000 0.331 218 F C 1.526 177.543 175.800 0.361 0.000 1.085 218 F CA 0.241 58.439 58.000 0.330 0.000 1.028 218 F CB 1.647 40.707 39.000 0.100 0.000 1.177 218 F HN 0.785 nan 8.300 nan 0.000 0.487 219 G N 1.830 110.831 108.800 0.335 0.000 2.664 219 G HA2 0.198 4.159 3.960 0.002 0.000 0.242 219 G HA3 0.198 4.159 3.960 0.002 0.000 0.242 219 G C -1.807 172.953 174.900 -0.233 0.000 1.225 219 G CA -0.899 44.144 45.100 -0.095 0.000 0.849 219 G HN 0.489 nan 8.290 nan 0.000 0.581 220 P HA 0.047 nan 4.420 nan 0.000 0.231 220 P C 0.503 177.635 177.300 -0.280 0.000 1.168 220 P CA 0.633 63.459 63.100 -0.456 0.000 0.779 220 P CB 0.678 31.904 31.700 -0.790 0.000 0.844 221 S N -1.043 114.536 115.700 -0.201 0.000 2.594 221 S HA 0.574 5.045 4.470 0.002 0.000 0.296 221 S C 0.690 175.269 174.600 -0.036 0.000 1.124 221 S CA 0.159 58.333 58.200 -0.044 0.000 1.011 221 S CB 0.536 63.794 63.200 0.096 0.000 1.016 221 S HN 0.288 nan 8.310 nan 0.000 0.485 222 G N 3.807 112.537 108.800 -0.117 0.000 2.176 222 G HA2 -0.213 3.748 3.960 0.002 0.000 0.232 222 G HA3 -0.213 3.748 3.960 0.002 0.000 0.232 222 G C -0.136 174.691 174.900 -0.122 0.000 0.986 222 G CA 0.061 45.069 45.100 -0.153 0.000 0.643 222 G HN 0.887 nan 8.290 nan 0.000 0.522 223 N N 0.023 118.567 118.700 -0.260 0.000 2.500 223 N HA 0.514 5.255 4.740 0.002 0.000 0.236 223 N C 0.318 175.604 175.510 -0.373 0.000 1.022 223 N CA -0.724 52.178 53.050 -0.248 0.000 0.935 223 N CB 0.119 38.452 38.487 -0.256 0.000 1.147 223 N HN 0.225 nan 8.380 nan 0.000 0.512 224 Y N 2.663 122.921 120.300 -0.070 0.000 2.524 224 Y HA 0.276 4.827 4.550 0.002 0.000 0.266 224 Y C 1.502 177.460 175.900 0.097 0.000 1.180 224 Y CA -0.207 57.918 58.100 0.042 0.000 1.244 224 Y CB 0.243 38.800 38.460 0.162 0.000 1.125 224 Y HN 0.496 nan 8.280 nan 0.000 0.524 225 L N -1.127 120.081 121.223 -0.025 0.000 2.079 225 L HA -0.271 4.070 4.340 0.002 0.000 0.210 225 L C 2.271 179.289 176.870 0.247 0.000 1.081 225 L CA 1.449 56.226 54.840 -0.106 0.000 0.752 225 L CB -0.418 41.199 42.059 -0.737 0.000 0.896 225 L HN 0.151 nan 8.230 nan 0.000 0.433 226 S N -0.978 114.880 115.700 0.264 0.000 2.419 226 S HA -0.151 4.320 4.470 0.002 0.000 0.233 226 S C 2.143 176.825 174.600 0.137 0.000 1.016 226 S CA 1.274 59.620 58.200 0.243 0.000 0.974 226 S CB -0.099 63.162 63.200 0.102 0.000 0.786 226 S HN 0.377 nan 8.310 nan 0.000 0.492 227 S N 0.241 116.019 115.700 0.130 0.000 2.419 227 S HA -0.043 4.428 4.470 0.002 0.000 0.233 227 S C 1.367 175.871 174.600 -0.161 0.000 1.016 227 S CA 1.043 59.236 58.200 -0.012 0.000 0.974 227 S CB -0.252 62.944 63.200 -0.006 0.000 0.786 227 S HN 0.627 nan 8.310 nan 0.000 0.492 228 Y N 0.843 121.148 120.300 0.009 0.000 2.262 228 Y HA 0.430 4.981 4.550 0.001 0.000 0.295 228 Y C 1.012 176.767 175.900 -0.241 0.000 1.121 228 Y CA 0.474 58.526 58.100 -0.081 0.000 1.144 228 Y CB 0.193 38.673 38.460 0.033 0.000 1.043 228 Y HN 0.203 nan 8.280 nan 0.000 0.528 229 A N -0.608 122.229 122.820 0.028 0.000 2.497 229 A HA 0.432 4.753 4.320 0.002 0.000 0.280 229 A C -2.432 175.173 177.584 0.034 0.000 1.065 229 A CA -1.201 50.682 52.037 -0.257 0.000 0.781 229 A CB 0.757 19.110 19.000 -1.078 0.000 1.289 229 A HN -0.047 nan 8.150 nan 0.000 0.415 230 P HA -0.168 nan 4.420 nan 0.000 0.219 230 P C 1.534 178.924 177.300 0.150 0.000 1.146 230 P CA 2.008 65.186 63.100 0.131 0.000 0.808 230 P CB 0.235 31.970 31.700 0.058 0.000 0.779 231 S N -2.989 112.749 115.700 0.063 0.000 2.603 231 S HA -0.120 4.351 4.470 0.002 0.000 0.229 231 S C 1.561 176.177 174.600 0.027 0.000 0.972 231 S CA 0.302 58.545 58.200 0.073 0.000 0.935 231 S CB -1.467 61.804 63.200 0.118 0.000 0.769 231 S HN 0.096 nan 8.310 nan 0.000 0.536 232 Y N 1.258 121.522 120.300 -0.061 0.000 2.384 232 Y HA 0.150 4.701 4.550 0.001 0.000 0.289 232 Y C 0.519 175.944 175.900 -0.792 0.000 1.152 232 Y CA 0.501 58.330 58.100 -0.451 0.000 1.258 232 Y CB -0.255 37.683 38.460 -0.869 0.000 0.979 232 Y HN 0.293 nan 8.280 nan 0.000 0.549 233 F N -2.171 117.847 119.950 0.114 0.000 2.598 233 F HA 0.529 5.057 4.527 0.001 0.000 0.327 233 F C 0.287 176.040 175.800 -0.078 0.000 1.057 233 F CA -1.352 56.642 58.000 -0.010 0.000 0.957 233 F CB 1.555 40.541 39.000 -0.024 0.000 1.278 233 F HN -0.532 nan 8.300 nan 0.000 0.484 234 T N -0.449 114.107 114.554 0.004 0.000 2.900 234 T HA 0.297 4.648 4.350 0.002 0.000 0.295 234 T C -0.064 174.516 174.700 -0.200 0.000 1.044 234 T CA -0.649 61.362 62.100 -0.148 0.000 0.995 234 T CB 1.034 69.729 68.868 -0.289 0.000 1.072 234 T HN 0.684 nan 8.240 nan 0.000 0.473 235 D N 2.569 122.898 120.400 -0.118 0.000 2.340 235 D HA 0.019 4.660 4.640 0.002 0.000 0.220 235 D C 1.640 177.889 176.300 -0.085 0.000 1.039 235 D CA 0.045 53.993 54.000 -0.087 0.000 0.866 235 D CB -0.098 40.681 40.800 -0.035 0.000 0.913 235 D HN 0.536 nan 8.370 nan 0.000 0.523 236 R N -0.160 120.257 120.500 -0.138 0.000 2.096 236 R HA -0.028 4.313 4.340 0.002 0.000 0.235 236 R C -0.146 176.223 176.300 0.114 0.000 1.127 236 R CA 0.986 57.079 56.100 -0.012 0.000 0.968 236 R CB -0.042 30.277 30.300 0.032 0.000 0.861 236 R HN 0.314 nan 8.270 nan 0.000 0.440 237 F N -3.137 116.859 119.950 0.076 0.000 2.643 237 F HA 0.647 5.175 4.527 0.001 0.000 0.314 237 F C -0.994 174.853 175.800 0.078 0.000 1.096 237 F CA -1.272 56.774 58.000 0.076 0.000 0.953 237 F CB 1.430 40.488 39.000 0.098 0.000 1.345 237 F HN -0.356 nan 8.300 nan 0.000 0.468 238 S N 0.288 116.149 115.700 0.268 0.000 2.607 238 S HA 0.763 5.234 4.470 0.002 0.000 0.303 238 S C -0.729 173.994 174.600 0.206 0.000 1.086 238 S CA -0.706 57.586 58.200 0.152 0.000 0.995 238 S CB 1.918 65.148 63.200 0.050 0.000 1.084 238 S HN 0.735 nan 8.310 nan 0.000 0.507 239 S N 0.836 116.626 115.700 0.150 0.000 2.719 239 S HA 0.569 5.040 4.470 0.002 0.000 0.285 239 S C 1.576 176.108 174.600 -0.114 0.000 1.137 239 S CA -0.222 58.031 58.200 0.089 0.000 1.012 239 S CB 0.727 64.071 63.200 0.241 0.000 1.134 239 S HN 0.830 nan 8.310 nan 0.000 0.544 240 A N -0.353 122.266 122.820 -0.335 0.000 1.940 240 A HA -0.108 4.213 4.320 0.002 0.000 0.219 240 A C 1.451 178.654 177.584 -0.635 0.000 1.176 240 A CA 1.516 53.162 52.037 -0.652 0.000 0.631 240 A CB -0.655 17.711 19.000 -1.057 0.000 0.814 240 A HN 0.881 nan 8.150 nan 0.000 0.446 241 W N -2.076 119.162 121.300 -0.103 0.000 2.842 241 W HA 0.432 5.093 4.660 0.002 0.000 0.267 241 W C 1.051 177.533 176.519 -0.061 0.000 1.219 241 W CA 0.364 57.675 57.345 -0.058 0.000 1.458 241 W CB 0.477 29.953 29.460 0.026 0.000 1.006 241 W HN 0.518 nan 8.180 nan 0.000 0.603 245 L N 1.677 123.156 121.223 0.427 0.000 2.361 245 L HA 0.317 4.658 4.340 0.002 0.000 0.278 245 L C 0.156 176.988 176.870 -0.064 0.000 1.113 245 L CA -0.312 54.642 54.840 0.190 0.000 0.849 245 L CB 1.151 43.259 42.059 0.083 0.000 1.155 245 L HN 0.494 nan 8.230 nan 0.000 0.452 246 D N 2.439 122.739 120.400 -0.168 0.000 2.422 246 D HA 0.033 4.674 4.640 0.002 0.000 0.227 246 D C 0.386 176.625 176.300 -0.101 0.000 1.190 246 D CA -0.104 53.850 54.000 -0.078 0.000 0.905 246 D CB 0.367 41.136 40.800 -0.052 0.000 1.034 246 D HN 0.323 nan 8.370 nan 0.000 0.507 247 Y N 1.745 122.166 120.300 0.201 0.000 2.578 247 Y HA 0.110 4.661 4.550 0.002 0.000 0.297 247 Y C 2.176 178.113 175.900 0.061 0.000 1.176 247 Y CA 0.284 58.451 58.100 0.111 0.000 1.315 247 Y CB -0.195 38.303 38.460 0.064 0.000 1.031 247 Y HN 0.531 nan 8.280 nan 0.000 0.524 248 A N -0.321 122.603 122.820 0.172 0.000 2.119 248 A HA -0.078 4.243 4.320 0.002 0.000 0.217 248 A C 0.927 178.543 177.584 0.053 0.000 1.153 248 A CA 0.556 52.655 52.037 0.103 0.000 0.692 248 A CB -0.297 18.759 19.000 0.094 0.000 0.799 248 A HN 0.204 nan 8.150 nan 0.000 0.458 249 E N 0.379 120.604 120.200 0.041 0.000 2.089 249 E HA 0.343 4.694 4.350 0.002 0.000 0.284 249 E C -2.033 174.540 176.600 -0.044 0.000 1.023 249 E CA -2.729 53.658 56.400 -0.022 0.000 0.819 249 E CB 0.943 30.627 29.700 -0.027 0.000 1.076 249 E HN 0.062 nan 8.360 nan 0.000 0.396 250 P HA -0.158 nan 4.420 nan 0.000 0.217 250 P C -0.014 177.174 177.300 -0.187 0.000 1.148 250 P CA 1.168 64.161 63.100 -0.178 0.000 0.828 250 P CB 0.037 31.555 31.700 -0.303 0.000 0.783 254 R N 0.493 121.176 120.500 0.304 0.000 2.148 254 R HA -0.031 4.310 4.340 0.002 0.000 0.227 254 R C 1.779 178.405 176.300 0.542 0.000 1.103 254 R CA 1.446 57.764 56.100 0.363 0.000 0.983 254 R CB -0.154 30.256 30.300 0.183 0.000 0.874 254 R HN 0.178 nan 8.270 nan 0.000 0.451 255 Y N 1.249 121.832 120.300 0.472 0.000 2.128 255 Y HA -0.285 4.266 4.550 0.002 0.000 0.284 255 Y C 2.191 178.291 175.900 0.334 0.000 1.154 255 Y CA 1.905 60.309 58.100 0.507 0.000 1.149 255 Y CB -0.072 38.605 38.460 0.362 0.000 0.976 255 Y HN -0.076 nan 8.280 nan 0.000 0.505 256 V N -2.589 117.509 119.914 0.308 0.000 2.535 256 V HA -0.103 4.018 4.120 0.002 0.000 0.246 256 V C 2.129 178.078 176.094 -0.241 0.000 1.045 256 V CA 1.877 64.049 62.300 -0.212 0.000 1.058 256 V CB -1.396 30.097 31.823 -0.551 0.000 0.689 256 V HN 0.544 nan 8.190 nan 0.000 0.461 257 T N -1.237 113.336 114.554 0.032 0.000 2.821 257 T HA 0.029 4.380 4.350 0.002 0.000 0.267 257 T C 2.095 176.794 174.700 -0.001 0.000 1.046 257 T CA 1.494 63.644 62.100 0.083 0.000 1.139 257 T CB -1.091 67.920 68.868 0.239 0.000 0.871 257 T HN 0.658 nan 8.240 nan 0.000 0.454 258 G N 1.659 110.455 108.800 -0.008 0.000 2.440 258 G HA2 -0.305 3.656 3.960 0.002 0.000 0.218 258 G HA3 -0.305 3.656 3.960 0.002 0.000 0.218 258 G C 1.664 176.468 174.900 -0.159 0.000 1.154 258 G CA 0.895 45.809 45.100 -0.309 0.000 0.767 258 G HN 0.619 nan 8.290 nan 0.000 0.552 259 N N 1.084 119.583 118.700 -0.336 0.000 2.106 259 N HA -0.094 4.647 4.740 0.002 0.000 0.188 259 N C 2.599 177.957 175.510 -0.253 0.000 1.029 259 N CA 1.308 53.921 53.050 -0.729 0.000 0.848 259 N CB -0.195 37.859 38.487 -0.722 0.000 1.007 259 N HN 0.236 nan 8.380 nan 0.000 0.423 260 A N 1.919 124.736 122.820 -0.005 0.000 1.883 260 A HA -0.127 4.194 4.320 0.002 0.000 0.217 260 A C 1.536 179.126 177.584 0.009 0.000 1.186 260 A CA 0.812 52.929 52.037 0.134 0.000 0.624 260 A CB -0.516 18.564 19.000 0.133 0.000 0.822 260 A HN 0.365 nan 8.150 nan 0.000 0.444 264 L N 0.941 122.290 121.223 0.210 0.000 2.023 264 L HA -0.028 4.313 4.340 0.002 0.000 0.205 264 L C 2.560 179.408 176.870 -0.037 0.000 1.073 264 L CA 1.771 56.592 54.840 -0.030 0.000 0.745 264 L CB -0.732 41.024 42.059 -0.504 0.000 0.900 264 L HN 0.008 nan 8.230 nan 0.000 0.435 265 R N 0.086 120.539 120.500 -0.079 0.000 2.055 265 R HA -0.119 4.222 4.340 0.002 0.000 0.226 265 R C 1.802 178.099 176.300 -0.005 0.000 1.135 265 R CA 1.650 57.714 56.100 -0.061 0.000 0.959 265 R CB -0.032 30.225 30.300 -0.071 0.000 0.854 265 R HN 0.304 nan 8.270 nan 0.000 0.431 266 D N -0.665 119.676 120.400 -0.098 0.000 2.213 266 D HA -0.104 4.537 4.640 0.002 0.000 0.205 266 D C 1.067 177.224 176.300 -0.239 0.000 0.961 266 D CA 1.143 54.955 54.000 -0.314 0.000 0.853 266 D CB 0.054 40.236 40.800 -1.030 0.000 0.967 266 D HN 0.332 nan 8.370 nan 0.000 0.496 267 Y N -0.465 119.909 120.300 0.125 0.000 2.458 267 Y HA 0.164 4.715 4.550 0.002 0.000 0.256 267 Y C 0.304 176.274 175.900 0.116 0.000 1.159 267 Y CA -0.022 58.231 58.100 0.256 0.000 1.261 267 Y CB -0.153 38.593 38.460 0.477 0.000 1.119 267 Y HN 0.106 nan 8.280 nan 0.000 0.524 268 H N -2.537 116.488 119.070 -0.076 0.000 2.958 268 H HA -0.210 4.346 4.556 0.002 0.000 0.274 268 H C -0.206 175.144 175.328 0.037 0.000 1.184 268 H CA -0.061 55.872 56.048 -0.192 0.000 1.143 268 H CB -1.846 27.483 29.762 -0.722 0.000 1.297 268 H HN 0.185 nan 8.280 nan 0.000 0.356 269 F N 1.292 121.361 119.950 0.199 0.000 2.595 269 F HA -0.076 4.452 4.527 0.002 0.000 0.359 269 F C 1.856 177.727 175.800 0.117 0.000 1.147 269 F CA 0.721 58.783 58.000 0.104 0.000 1.341 269 F CB 0.438 39.455 39.000 0.028 0.000 1.104 269 F HN 0.109 nan 8.300 nan 0.000 0.603 270 D N 1.103 121.597 120.400 0.157 0.000 2.354 270 D HA 0.198 4.839 4.640 0.002 0.000 0.209 270 D C 0.822 176.888 176.300 -0.389 0.000 1.015 270 D CA 0.667 54.644 54.000 -0.038 0.000 0.867 270 D CB 0.522 41.301 40.800 -0.035 0.000 0.933 270 D HN 0.624 nan 8.370 nan 0.000 0.520 271 G N 0.011 108.486 108.800 -0.542 0.000 2.368 271 G HA2 0.464 4.425 3.960 0.002 0.000 0.293 271 G HA3 0.464 4.425 3.960 0.002 0.000 0.293 271 G C -1.927 172.880 174.900 -0.155 0.000 1.467 271 G CA -0.812 44.045 45.100 -0.404 0.000 0.804 271 G HN 0.010 nan 8.290 nan 0.000 0.535 272 L N 0.411 121.635 121.223 0.002 0.000 2.381 272 L HA 0.682 5.023 4.340 0.002 0.000 0.268 272 L C 0.150 176.998 176.870 -0.036 0.000 0.997 272 L CA -1.072 53.718 54.840 -0.083 0.000 0.818 272 L CB 2.411 44.386 42.059 -0.140 0.000 1.310 272 L HN 0.513 nan 8.230 nan 0.000 0.416 273 R N 3.636 124.041 120.500 -0.159 0.000 2.246 273 R HA 0.462 4.803 4.340 0.002 0.000 0.332 273 R C -1.352 174.728 176.300 -0.366 0.000 0.974 273 R CA -0.583 55.354 56.100 -0.272 0.000 0.837 273 R CB 0.674 30.763 30.300 -0.351 0.000 1.145 273 R HN 0.647 nan 8.270 nan 0.000 0.467 274 L N 4.368 125.399 121.223 -0.319 0.000 2.325 274 L HA 0.164 4.505 4.340 0.002 0.000 0.284 274 L C 0.381 177.075 176.870 -0.294 0.000 1.089 274 L CA -0.491 54.165 54.840 -0.307 0.000 0.836 274 L CB 0.642 42.598 42.059 -0.172 0.000 1.184 274 L HN 0.540 nan 8.230 nan 0.000 0.444 275 D N 3.722 123.959 120.400 -0.271 0.000 2.455 275 D HA 0.258 4.899 4.640 0.002 0.000 0.241 275 D C 0.787 177.057 176.300 -0.051 0.000 1.138 275 D CA 0.566 54.474 54.000 -0.154 0.000 0.877 275 D CB 0.888 41.678 40.800 -0.017 0.000 1.187 275 D HN 0.753 nan 8.370 nan 0.000 0.451 276 A N 2.940 125.747 122.820 -0.023 0.000 2.415 276 A HA -0.223 4.098 4.320 0.002 0.000 0.292 276 A C 1.558 179.169 177.584 0.046 0.000 1.452 276 A CA 1.425 53.523 52.037 0.100 0.000 0.750 276 A CB -2.362 16.818 19.000 0.300 0.000 1.099 276 A HN 0.822 nan 8.150 nan 0.000 0.391 277 T N -2.538 111.960 114.554 -0.093 0.000 2.849 277 T HA -0.047 4.303 4.350 0.002 0.000 0.270 277 T C -0.276 174.288 174.700 -0.227 0.000 1.066 277 T CA 1.339 63.372 62.100 -0.112 0.000 1.130 277 T CB -1.034 67.753 68.868 -0.134 0.000 0.864 277 T HN 0.513 nan 8.240 nan 0.000 0.481 278 P HA 0.040 nan 4.420 nan 0.000 0.222 278 P C -0.120 176.748 177.300 -0.719 0.000 1.147 278 P CA 0.770 63.429 63.100 -0.735 0.000 0.790 278 P CB -0.145 30.839 31.700 -1.194 0.000 0.780 282 D N 1.247 121.657 120.400 0.016 0.000 2.861 282 D HA 0.306 4.947 4.640 0.002 0.000 0.216 282 D C -0.621 175.687 176.300 0.013 0.000 1.323 282 D CA -0.463 53.516 54.000 -0.036 0.000 0.917 282 D CB 1.378 41.914 40.800 -0.441 0.000 1.582 282 D HN 0.371 nan 8.370 nan 0.000 0.576 283 D N 1.510 121.950 120.400 0.068 0.000 2.368 283 D HA 0.084 4.725 4.640 0.002 0.000 0.218 283 D C 0.083 176.422 176.300 0.064 0.000 1.112 283 D CA -0.036 54.010 54.000 0.077 0.000 0.834 283 D CB 0.507 41.358 40.800 0.084 0.000 0.953 283 D HN 0.178 nan 8.370 nan 0.000 0.505 284 S N 0.922 116.647 115.700 0.043 0.000 2.573 284 S HA -0.056 4.415 4.470 0.002 0.000 0.277 284 S C 1.566 176.195 174.600 0.048 0.000 1.346 284 S CA -0.234 57.989 58.200 0.039 0.000 1.034 284 S CB 2.026 65.240 63.200 0.023 0.000 0.879 284 S HN 0.259 nan 8.310 nan 0.000 0.528 285 E N 1.671 121.899 120.200 0.046 0.000 2.049 285 E HA -0.168 4.183 4.350 0.002 0.000 0.198 285 E C 0.016 176.652 176.600 0.060 0.000 1.007 285 E CA 1.169 57.598 56.400 0.049 0.000 0.809 285 E CB 0.050 29.776 29.700 0.042 0.000 0.749 285 E HN 0.583 nan 8.360 nan 0.000 0.450 286 T N 1.283 115.871 114.554 0.058 0.000 2.733 286 T HA 0.072 4.423 4.350 0.002 0.000 0.294 286 T C -0.488 174.250 174.700 0.063 0.000 0.956 286 T CA -0.392 61.749 62.100 0.069 0.000 0.987 286 T CB 0.863 69.773 68.868 0.071 0.000 0.920 286 T HN 0.202 nan 8.240 nan 0.000 0.470 287 H N 3.195 122.262 119.070 -0.005 0.000 2.790 287 H HA 0.072 4.629 4.556 0.001 0.000 0.358 287 H C 1.225 176.520 175.328 -0.055 0.000 1.103 287 H CA -0.429 55.603 56.048 -0.027 0.000 1.426 287 H CB 0.724 30.456 29.762 -0.050 0.000 1.424 287 H HN 0.516 nan 8.280 nan 0.000 0.599 288 I N 4.561 124.908 120.570 -0.372 0.000 2.315 288 I HA -0.293 3.878 4.170 0.002 0.000 0.251 288 I C 2.115 178.188 176.117 -0.072 0.000 1.125 288 I CA 1.281 62.412 61.300 -0.282 0.000 1.392 288 I CB -0.418 37.148 38.000 -0.723 0.000 1.065 288 I HN 0.669 nan 8.210 nan 0.000 0.424 289 L N -0.681 120.653 121.223 0.185 0.000 2.046 289 L HA -0.214 4.127 4.340 0.002 0.000 0.208 289 L C 2.373 179.268 176.870 0.042 0.000 1.077 289 L CA 1.838 56.739 54.840 0.102 0.000 0.747 289 L CB -1.094 41.010 42.059 0.075 0.000 0.896 289 L HN 0.215 nan 8.230 nan 0.000 0.432 290 T N -1.065 113.529 114.554 0.067 0.000 2.708 290 T HA -0.251 4.100 4.350 0.002 0.000 0.266 290 T C 1.768 176.463 174.700 -0.008 0.000 1.037 290 T CA 1.581 63.706 62.100 0.041 0.000 1.146 290 T CB -0.140 68.766 68.868 0.063 0.000 0.865 290 T HN 0.371 nan 8.240 nan 0.000 0.435 291 E N 0.576 120.769 120.200 -0.013 0.000 2.106 291 E HA -0.078 4.273 4.350 0.002 0.000 0.192 291 E C 2.163 178.720 176.600 -0.072 0.000 0.984 291 E CA 0.651 57.024 56.400 -0.045 0.000 0.806 291 E CB -0.217 29.499 29.700 0.027 0.000 0.750 291 E HN 0.414 nan 8.360 nan 0.000 0.458 292 L N 0.448 121.647 121.223 -0.040 0.000 2.012 292 L HA -0.227 4.113 4.340 0.002 0.000 0.210 292 L C 2.646 179.467 176.870 -0.082 0.000 1.073 292 L CA 1.407 56.229 54.840 -0.031 0.000 0.748 292 L CB -0.450 41.613 42.059 0.006 0.000 0.891 292 L HN 0.239 nan 8.230 nan 0.000 0.431 293 A N -0.814 121.952 122.820 -0.091 0.000 1.902 293 A HA -0.262 4.059 4.320 0.002 0.000 0.217 293 A C 2.180 179.638 177.584 -0.210 0.000 1.181 293 A CA 1.638 53.576 52.037 -0.165 0.000 0.623 293 A CB -0.495 18.497 19.000 -0.013 0.000 0.818 293 A HN 0.501 nan 8.150 nan 0.000 0.443 294 Q N -0.682 118.977 119.800 -0.235 0.000 2.061 294 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 294 Q C 2.015 177.694 176.000 -0.535 0.000 0.984 294 Q CA 1.504 56.963 55.803 -0.573 0.000 0.846 294 Q CB -0.210 27.786 28.738 -1.237 0.000 0.902 294 Q HN 0.600 nan 8.270 nan 0.000 0.421 295 E N 0.423 120.437 120.200 -0.311 0.000 2.110 295 E HA -0.147 4.204 4.350 0.002 0.000 0.193 295 E C 1.968 178.585 176.600 0.027 0.000 0.988 295 E CA 0.905 57.330 56.400 0.041 0.000 0.804 295 E CB -0.043 29.743 29.700 0.143 0.000 0.745 295 E HN 0.426 nan 8.360 nan 0.000 0.458 296 I N -0.123 120.400 120.570 -0.078 0.000 2.333 296 I HA -0.203 3.968 4.170 0.002 0.000 0.246 296 I C 2.075 178.165 176.117 -0.046 0.000 1.106 296 I CA 0.844 62.086 61.300 -0.097 0.000 1.411 296 I CB -0.279 37.626 38.000 -0.158 0.000 1.082 296 I HN 0.108 nan 8.210 nan 0.000 0.420 297 H N 0.001 119.070 119.070 -0.002 0.000 2.457 297 H HA -0.189 4.368 4.556 0.002 0.000 0.297 297 H C 2.142 177.502 175.328 0.053 0.000 1.092 297 H CA 1.180 57.235 56.048 0.011 0.000 1.309 297 H CB 0.136 29.867 29.762 -0.050 0.000 1.382 297 H HN 0.238 nan 8.280 nan 0.000 0.535 298 E N 1.312 121.625 120.200 0.188 0.000 2.152 298 E HA -0.122 4.229 4.350 0.002 0.000 0.192 298 E C 1.988 178.683 176.600 0.158 0.000 0.983 298 E CA 0.438 56.971 56.400 0.222 0.000 0.818 298 E CB -0.037 29.878 29.700 0.358 0.000 0.758 298 E HN 0.536 nan 8.360 nan 0.000 0.467 299 L N -0.052 121.251 121.223 0.133 0.000 2.351 299 L HA -0.128 4.213 4.340 0.002 0.000 0.220 299 L C 1.558 178.501 176.870 0.122 0.000 1.127 299 L CA 0.915 55.823 54.840 0.114 0.000 0.786 299 L CB -0.700 41.413 42.059 0.090 0.000 0.914 299 L HN 0.312 nan 8.230 nan 0.000 0.443 300 G N -0.184 108.690 108.800 0.124 0.000 2.246 300 G HA2 -0.186 3.775 3.960 0.002 0.000 0.273 300 G HA3 -0.186 3.775 3.960 0.002 0.000 0.273 300 G C 0.356 175.278 174.900 0.038 0.000 1.055 300 G CA 0.094 45.239 45.100 0.075 0.000 0.851 300 G HN 0.580 nan 8.290 nan 0.000 0.500 301 G N -1.565 107.265 108.800 0.050 0.000 3.119 301 G HA2 0.784 4.745 3.960 0.002 0.000 0.206 301 G HA3 0.784 4.745 3.960 0.002 0.000 0.206 301 G C 0.751 175.525 174.900 -0.209 0.000 1.313 301 G CA 0.783 45.785 45.100 -0.163 0.000 1.010 301 G HN 1.221 nan 8.290 nan 0.000 0.578 302 T N -2.213 112.085 114.554 -0.427 0.000 3.296 302 T HA 0.307 4.658 4.350 0.002 0.000 0.285 302 T C -0.069 174.504 174.700 -0.212 0.000 1.014 302 T CA -0.328 61.630 62.100 -0.238 0.000 0.920 302 T CB -0.707 68.030 68.868 -0.219 0.000 1.143 302 T HN 0.438 nan 8.240 nan 0.000 0.522 303 H N 1.278 120.338 119.070 -0.017 0.000 2.897 303 H HA 0.468 5.025 4.556 0.002 0.000 0.347 303 H C 0.220 175.548 175.328 -0.001 0.000 1.068 303 H CA -0.150 55.880 56.048 -0.031 0.000 1.426 303 H CB 0.440 30.175 29.762 -0.045 0.000 1.410 303 H HN 0.278 nan 8.280 nan 0.000 0.597 304 L N 3.057 124.369 121.223 0.149 0.000 2.334 304 L HA 0.459 4.800 4.340 0.002 0.000 0.272 304 L C -0.480 176.487 176.870 0.162 0.000 1.020 304 L CA -0.736 54.222 54.840 0.197 0.000 0.812 304 L CB 1.257 43.553 42.059 0.396 0.000 1.264 304 L HN 0.367 nan 8.230 nan 0.000 0.439 305 L N 3.536 124.837 121.223 0.130 0.000 2.381 305 L HA 0.510 4.851 4.340 0.002 0.000 0.274 305 L C -1.095 175.833 176.870 0.097 0.000 0.988 305 L CA -0.581 54.307 54.840 0.080 0.000 0.824 305 L CB 2.022 44.088 42.059 0.012 0.000 1.263 305 L HN 0.313 nan 8.230 nan 0.000 0.410 306 L N 2.905 124.173 121.223 0.076 0.000 2.333 306 L HA 0.637 4.977 4.340 0.002 0.000 0.280 306 L C 0.208 177.033 176.870 -0.075 0.000 1.004 306 L CA -0.362 54.508 54.840 0.051 0.000 0.820 306 L CB 1.763 43.886 42.059 0.107 0.000 1.247 306 L HN 0.643 nan 8.230 nan 0.000 0.416 307 A N 2.862 125.646 122.820 -0.060 0.000 2.301 307 A HA 0.361 4.682 4.320 0.002 0.000 0.298 307 A C 0.214 177.696 177.584 -0.171 0.000 1.185 307 A CA -0.462 51.498 52.037 -0.128 0.000 0.830 307 A CB 0.554 19.498 19.000 -0.093 0.000 1.112 307 A HN 0.735 nan 8.150 nan 0.000 0.508 308 E N 2.607 122.629 120.200 -0.297 0.000 1.941 308 E HA 0.135 4.486 4.350 0.002 0.000 0.275 308 E C -1.351 175.161 176.600 -0.147 0.000 1.113 308 E CA -0.042 56.204 56.400 -0.258 0.000 0.878 308 E CB 0.294 29.746 29.700 -0.414 0.000 1.070 308 E HN 0.655 nan 8.360 nan 0.000 0.399 309 D N 2.952 123.293 120.400 -0.098 0.000 2.936 309 D HA 0.040 4.681 4.640 0.002 0.000 0.238 309 D C 0.134 176.305 176.300 -0.215 0.000 1.248 309 D CA -0.445 53.415 54.000 -0.235 0.000 0.903 309 D CB 0.843 41.503 40.800 -0.233 0.000 1.544 309 D HN 0.661 nan 8.370 nan 0.000 0.543 310 H N 1.801 120.761 119.070 -0.183 0.000 2.539 310 H HA 0.291 4.848 4.556 0.001 0.000 0.269 310 H C 1.041 176.177 175.328 -0.321 0.000 0.980 310 H CA 0.179 56.090 56.048 -0.228 0.000 1.152 310 H CB 0.075 29.701 29.762 -0.226 0.000 1.407 310 H HN 0.155 nan 8.280 nan 0.000 0.564 311 R N 0.455 120.737 120.500 -0.363 0.000 2.307 311 R HA 0.026 4.367 4.340 0.002 0.000 0.199 311 R C -0.200 175.883 176.300 -0.361 0.000 1.000 311 R CA 0.332 56.273 56.100 -0.265 0.000 1.023 311 R CB -0.091 30.050 30.300 -0.265 0.000 0.908 311 R HN 0.221 nan 8.270 nan 0.000 0.473 312 N N 0.698 119.006 118.700 -0.654 0.000 2.696 312 N HA -0.180 4.561 4.740 0.002 0.000 0.256 312 N C -1.506 173.511 175.510 -0.821 0.000 1.031 312 N CA 0.694 52.826 53.050 -1.530 0.000 0.730 312 N CB -0.848 36.654 38.487 -1.641 0.000 0.894 312 N HN 0.099 nan 8.380 nan 0.000 0.544 313 L N 0.640 121.621 121.223 -0.404 0.000 2.353 313 L HA 0.531 4.872 4.340 0.002 0.000 0.270 313 L C -1.720 175.177 176.870 0.045 0.000 1.003 313 L CA -1.711 53.053 54.840 -0.126 0.000 0.862 313 L CB 1.680 43.599 42.059 -0.234 0.000 1.221 313 L HN -0.147 nan 8.230 nan 0.000 0.430 314 P HA -0.049 nan 4.420 nan 0.000 0.222 314 P C 0.533 177.814 177.300 -0.031 0.000 1.147 314 P CA 0.855 64.039 63.100 0.140 0.000 0.790 314 P CB 0.338 32.115 31.700 0.128 0.000 0.780 315 D N -0.437 119.898 120.400 -0.108 0.000 2.228 315 D HA -0.130 4.511 4.640 0.002 0.000 0.203 315 D C 1.933 178.127 176.300 -0.177 0.000 0.988 315 D CA 0.748 54.652 54.000 -0.161 0.000 0.864 315 D CB -0.789 39.888 40.800 -0.205 0.000 0.928 315 D HN 0.183 nan 8.370 nan 0.000 0.469 316 L N -0.231 120.901 121.223 -0.152 0.000 2.043 316 L HA -0.212 4.129 4.340 0.002 0.000 0.212 316 L C 2.324 179.122 176.870 -0.120 0.000 1.075 316 L CA 0.889 55.644 54.840 -0.142 0.000 0.752 316 L CB -0.379 41.613 42.059 -0.111 0.000 0.891 316 L HN 0.026 nan 8.230 nan 0.000 0.432 317 V N -1.024 118.831 119.914 -0.099 0.000 2.374 317 V HA -0.161 3.960 4.120 0.002 0.000 0.241 317 V C 2.543 178.565 176.094 -0.120 0.000 1.034 317 V CA 2.002 64.254 62.300 -0.079 0.000 1.037 317 V CB -0.486 31.292 31.823 -0.075 0.000 0.682 317 V HN 0.628 nan 8.190 nan 0.000 0.463 318 T N -2.754 111.715 114.554 -0.142 0.000 3.067 318 T HA 0.033 4.384 4.350 0.002 0.000 0.261 318 T C 1.441 175.961 174.700 -0.301 0.000 1.110 318 T CA 1.239 63.255 62.100 -0.139 0.000 1.113 318 T CB 0.457 69.275 68.868 -0.083 0.000 0.917 318 T HN 0.223 nan 8.240 nan 0.000 0.499 319 V N 1.228 120.906 119.914 -0.394 0.000 2.996 319 V HA 0.199 4.320 4.120 0.002 0.000 0.235 319 V C 1.949 177.686 176.094 -0.594 0.000 1.205 319 V CA 0.549 62.582 62.300 -0.445 0.000 1.225 319 V CB -0.395 31.292 31.823 -0.227 0.000 0.995 319 V HN 0.350 nan 8.190 nan 0.000 0.484 320 N N -0.553 117.914 118.700 -0.387 0.000 2.494 320 N HA -0.053 4.688 4.740 0.002 0.000 0.182 320 N C 0.123 175.557 175.510 -0.125 0.000 1.076 320 N CA 0.568 53.485 53.050 -0.221 0.000 0.908 320 N CB -0.028 38.366 38.487 -0.155 0.000 0.967 320 N HN 0.467 nan 8.380 nan 0.000 0.449 321 H N -1.190 117.878 119.070 -0.004 0.000 2.862 321 H HA -0.138 4.419 4.556 0.002 0.000 0.290 321 H C -0.262 175.098 175.328 0.054 0.000 1.211 321 H CA 0.475 56.546 56.048 0.040 0.000 1.140 321 H CB -2.156 27.656 29.762 0.082 0.000 1.341 321 H HN 0.286 nan 8.280 nan 0.000 0.392 322 L N 0.468 121.725 121.223 0.058 0.000 2.472 322 L HA 0.065 4.406 4.340 0.002 0.000 0.260 322 L C 1.737 178.644 176.870 0.061 0.000 1.209 322 L CA 0.063 54.929 54.840 0.044 0.000 0.817 322 L CB 0.429 42.487 42.059 -0.001 0.000 1.106 322 L HN 0.052 nan 8.230 nan 0.000 0.479 323 D N 0.155 120.601 120.400 0.077 0.000 2.271 323 D HA 0.154 4.795 4.640 0.002 0.000 0.206 323 D C 0.631 176.967 176.300 0.059 0.000 0.967 323 D CA 0.662 54.715 54.000 0.088 0.000 0.867 323 D CB 1.029 41.911 40.800 0.137 0.000 0.960 323 D HN 0.703 nan 8.370 nan 0.000 0.509 324 G N 0.048 108.884 108.800 0.060 0.000 2.451 324 G HA2 0.522 4.483 3.960 0.002 0.000 0.292 324 G HA3 0.522 4.483 3.960 0.002 0.000 0.292 324 G C -1.889 173.061 174.900 0.084 0.000 1.427 324 G CA -0.748 44.381 45.100 0.048 0.000 0.792 324 G HN 0.003 nan 8.290 nan 0.000 0.498 325 I N -0.413 120.226 120.570 0.116 0.000 2.534 325 I HA 0.317 4.488 4.170 0.002 0.000 0.288 325 I C -1.056 175.266 176.117 0.342 0.000 1.077 325 I CA -0.590 60.820 61.300 0.184 0.000 1.051 325 I CB 2.362 40.461 38.000 0.164 0.000 1.234 325 I HN 0.441 nan 8.210 nan 0.000 0.425 326 W N 4.993 126.321 121.300 0.047 0.000 2.565 326 W HA 0.245 4.906 4.660 0.002 0.000 0.325 326 W C 0.854 177.443 176.519 0.117 0.000 1.408 326 W CA -0.216 57.170 57.345 0.069 0.000 1.350 326 W CB 0.410 29.867 29.460 -0.005 0.000 1.426 326 W HN 0.283 nan 8.180 nan 0.000 0.538 327 T N 2.839 117.628 114.554 0.392 0.000 2.786 327 T HA 0.202 4.553 4.350 0.002 0.000 0.283 327 T C 0.531 175.379 174.700 0.247 0.000 0.992 327 T CA -0.711 61.622 62.100 0.388 0.000 0.954 327 T CB 0.788 70.080 68.868 0.707 0.000 0.934 327 T HN 0.283 nan 8.240 nan 0.000 0.440 328 D N 3.218 123.645 120.400 0.044 0.000 2.349 328 D HA 0.025 4.666 4.640 0.002 0.000 0.215 328 D C 1.158 177.232 176.300 -0.377 0.000 1.016 328 D CA 0.244 54.081 54.000 -0.271 0.000 0.870 328 D CB 0.340 40.741 40.800 -0.664 0.000 0.917 328 D HN 0.630 nan 8.370 nan 0.000 0.524 329 D N 0.339 120.737 120.400 -0.003 0.000 2.133 329 D HA -0.183 4.458 4.640 0.002 0.000 0.195 329 D C 1.698 178.008 176.300 0.018 0.000 0.997 329 D CA 0.576 54.674 54.000 0.164 0.000 0.840 329 D CB -0.352 40.741 40.800 0.488 0.000 0.947 329 D HN 0.228 nan 8.370 nan 0.000 0.452 330 F N 1.176 121.003 119.950 -0.205 0.000 2.075 330 F HA -0.235 4.293 4.527 0.001 0.000 0.297 330 F C 2.445 178.079 175.800 -0.277 0.000 1.113 330 F CA 1.718 59.464 58.000 -0.422 0.000 1.218 330 F CB -0.415 37.853 39.000 -1.220 0.000 0.984 330 F HN 0.089 nan 8.300 nan 0.000 0.472 331 H N -0.472 118.479 119.070 -0.199 0.000 2.289 331 H HA -0.217 4.340 4.556 0.002 0.000 0.296 331 H C 2.220 177.499 175.328 -0.081 0.000 1.091 331 H CA 2.518 58.476 56.048 -0.149 0.000 1.274 331 H CB -0.678 29.053 29.762 -0.051 0.000 1.364 331 H HN 0.337 nan 8.280 nan 0.000 0.490 332 H N 0.368 119.347 119.070 -0.151 0.000 2.321 332 H HA -0.078 4.479 4.556 0.002 0.000 0.300 332 H C 2.423 177.501 175.328 -0.417 0.000 1.087 332 H CA 1.481 57.377 56.048 -0.253 0.000 1.319 332 H CB -0.513 28.800 29.762 -0.750 0.000 1.379 332 H HN 0.449 nan 8.280 nan 0.000 0.501 333 E N 0.199 120.195 120.200 -0.339 0.000 2.077 333 E HA -0.126 4.224 4.350 0.002 0.000 0.193 333 E C 2.122 178.588 176.600 -0.223 0.000 0.989 333 E CA 1.798 58.100 56.400 -0.162 0.000 0.800 333 E CB -0.078 29.583 29.700 -0.065 0.000 0.746 333 E HN 0.373 nan 8.360 nan 0.000 0.452 334 T N 0.118 114.429 114.554 -0.406 0.000 2.652 334 T HA -0.214 4.136 4.350 0.002 0.000 0.267 334 T C 1.876 176.433 174.700 -0.238 0.000 1.039 334 T CA 1.632 63.516 62.100 -0.360 0.000 1.153 334 T CB -0.319 68.219 68.868 -0.550 0.000 0.863 334 T HN 0.194 nan 8.240 nan 0.000 0.428 335 R N 0.567 120.884 120.500 -0.305 0.000 2.073 335 R HA -0.076 4.265 4.340 0.002 0.000 0.234 335 R C 2.350 178.520 176.300 -0.217 0.000 1.134 335 R CA 1.259 57.205 56.100 -0.256 0.000 0.952 335 R CB -0.556 29.548 30.300 -0.327 0.000 0.850 335 R HN 0.232 nan 8.270 nan 0.000 0.433 336 V N 0.677 120.491 119.914 -0.166 0.000 2.407 336 V HA -0.243 3.878 4.120 0.002 0.000 0.248 336 V C 2.202 178.235 176.094 -0.101 0.000 1.055 336 V CA 2.300 64.537 62.300 -0.106 0.000 1.049 336 V CB -0.626 31.226 31.823 0.048 0.000 0.662 336 V HN 0.497 nan 8.190 nan 0.000 0.455 337 T N 0.615 115.099 114.554 -0.116 0.000 2.665 337 T HA -0.180 4.171 4.350 0.002 0.000 0.268 337 T C 1.772 176.384 174.700 -0.147 0.000 1.035 337 T CA 1.759 63.769 62.100 -0.150 0.000 1.151 337 T CB -0.287 68.452 68.868 -0.215 0.000 0.862 337 T HN 0.353 nan 8.240 nan 0.000 0.438 338 L N 0.713 121.864 121.223 -0.119 0.000 2.341 338 L HA 0.055 4.396 4.340 0.002 0.000 0.214 338 L C 2.706 179.533 176.870 -0.072 0.000 1.115 338 L CA 1.317 56.115 54.840 -0.071 0.000 0.820 338 L CB -0.492 41.573 42.059 0.010 0.000 0.944 338 L HN 0.441 nan 8.230 nan 0.000 0.452 339 T N -5.621 108.869 114.554 -0.107 0.000 2.955 339 T HA 0.239 4.590 4.350 0.002 0.000 0.251 339 T C 1.523 176.158 174.700 -0.107 0.000 1.002 339 T CA 0.564 62.597 62.100 -0.111 0.000 0.970 339 T CB 0.879 69.653 68.868 -0.157 0.000 1.091 339 T HN 0.301 nan 8.240 nan 0.000 0.495 340 G N 2.692 111.427 108.800 -0.107 0.000 2.189 340 G HA2 -0.313 3.648 3.960 0.002 0.000 0.267 340 G HA3 -0.313 3.648 3.960 0.002 0.000 0.267 340 G C -0.049 174.798 174.900 -0.089 0.000 0.975 340 G CA 0.502 45.553 45.100 -0.083 0.000 0.644 340 G HN 1.115 nan 8.290 nan 0.000 0.537 341 E N -0.248 119.865 120.200 -0.145 0.000 2.418 341 E HA 0.400 4.751 4.350 0.002 0.000 0.261 341 E C 0.277 176.832 176.600 -0.074 0.000 1.070 341 E CA 0.044 56.354 56.400 -0.151 0.000 0.931 341 E CB 0.500 30.039 29.700 -0.268 0.000 0.954 341 E HN 0.249 nan 8.360 nan 0.000 0.439 342 Q N 0.643 120.427 119.800 -0.027 0.000 2.064 342 Q HA 0.116 4.457 4.340 0.002 0.000 0.213 342 Q C -0.820 175.190 176.000 0.016 0.000 0.779 342 Q CA -0.093 55.724 55.803 0.023 0.000 1.032 342 Q CB 0.961 29.695 28.738 -0.008 0.000 1.203 342 Q HN 0.543 nan 8.270 nan 0.000 0.457 343 E N 0.794 121.007 120.200 0.021 0.000 2.383 343 E HA 0.377 4.728 4.350 0.002 0.000 0.264 343 E C 1.050 177.605 176.600 -0.074 0.000 1.050 343 E CA 0.712 57.104 56.400 -0.014 0.000 0.896 343 E CB 0.629 30.329 29.700 -0.001 0.000 0.982 343 E HN 0.321 nan 8.360 nan 0.000 0.424 344 G N 2.607 111.334 108.800 -0.123 0.000 2.596 344 G HA2 -0.398 3.563 3.960 0.002 0.000 0.295 344 G HA3 -0.398 3.563 3.960 0.002 0.000 0.295 344 G C 0.743 175.510 174.900 -0.222 0.000 1.240 344 G CA 0.839 45.819 45.100 -0.199 0.000 0.985 344 G HN 0.694 nan 8.290 nan 0.000 0.555 345 Y N -0.931 119.289 120.300 -0.133 0.000 2.497 345 Y HA 0.237 4.788 4.550 0.001 0.000 0.292 345 Y C 2.493 178.336 175.900 -0.094 0.000 1.137 345 Y CA 1.388 59.444 58.100 -0.073 0.000 1.285 345 Y CB -0.823 37.664 38.460 0.044 0.000 0.991 345 Y HN 0.437 nan 8.280 nan 0.000 0.556 346 Y N 1.257 121.495 120.300 -0.103 0.000 2.333 346 Y HA -0.096 4.456 4.550 0.002 0.000 0.290 346 Y C 2.638 178.604 175.900 0.110 0.000 1.144 346 Y CA 0.591 58.730 58.100 0.066 0.000 1.228 346 Y CB -0.908 37.487 38.460 -0.108 0.000 0.985 346 Y HN 0.316 nan 8.280 nan 0.000 0.542 347 A N 0.079 122.930 122.820 0.052 0.000 2.131 347 A HA -0.100 4.221 4.320 0.002 0.000 0.220 347 A C 2.470 179.912 177.584 -0.237 0.000 1.158 347 A CA 1.435 53.420 52.037 -0.087 0.000 0.665 347 A CB -1.250 17.648 19.000 -0.169 0.000 0.795 347 A HN 0.451 nan 8.150 nan 0.000 0.460 348 G N -2.196 106.373 108.800 -0.386 0.000 2.848 348 G HA2 0.289 4.250 3.960 0.002 0.000 0.208 348 G HA3 0.289 4.250 3.960 0.002 0.000 0.208 348 G C 0.021 174.491 174.900 -0.716 0.000 1.152 348 G CA 0.242 44.846 45.100 -0.826 0.000 0.789 348 G HN 0.471 nan 8.290 nan 0.000 0.531 349 Y N -2.338 118.032 120.300 0.116 0.000 2.504 349 Y HA 0.464 5.015 4.550 0.002 0.000 0.344 349 Y C 0.958 176.896 175.900 0.063 0.000 1.023 349 Y CA -1.242 56.952 58.100 0.155 0.000 1.020 349 Y CB 1.752 40.350 38.460 0.230 0.000 1.282 349 Y HN -0.143 nan 8.280 nan 0.000 0.454 350 R N 1.676 122.266 120.500 0.151 0.000 2.112 350 R HA 0.343 4.684 4.340 0.002 0.000 0.216 350 R C 0.640 176.967 176.300 0.046 0.000 1.080 350 R CA 1.112 57.245 56.100 0.055 0.000 0.996 350 R CB -0.153 30.142 30.300 -0.007 0.000 0.902 350 R HN 1.066 nan 8.270 nan 0.000 0.449 351 G N -0.430 108.413 108.800 0.072 0.000 2.860 351 G HA2 0.148 4.109 3.960 0.002 0.000 0.553 351 G HA3 0.148 4.109 3.960 0.002 0.000 0.553 351 G C 0.066 174.925 174.900 -0.070 0.000 1.439 351 G CA -0.375 44.720 45.100 -0.008 0.000 0.879 351 G HN 0.937 nan 8.290 nan 0.000 0.545 352 G N -2.183 106.542 108.800 -0.125 0.000 2.541 352 G HA2 0.494 4.455 3.960 0.002 0.000 0.686 352 G HA3 0.494 4.455 3.960 0.002 0.000 0.686 352 G C 1.046 175.839 174.900 -0.179 0.000 1.286 352 G CA 0.891 45.894 45.100 -0.163 0.000 0.894 352 G HN 2.436 nan 8.290 nan 0.000 0.575 353 A N -0.398 122.307 122.820 -0.192 0.000 1.877 353 A HA 0.038 4.359 4.320 0.002 0.000 0.216 353 A C 2.133 179.594 177.584 -0.205 0.000 1.186 353 A CA 2.522 54.464 52.037 -0.159 0.000 0.620 353 A CB -0.593 18.362 19.000 -0.075 0.000 0.822 353 A HN 1.213 nan 8.150 nan 0.000 0.443 354 E N -0.073 119.870 120.200 -0.427 0.000 2.058 354 E HA -0.161 4.190 4.350 0.002 0.000 0.194 354 E C 2.130 178.604 176.600 -0.209 0.000 0.997 354 E CA 1.241 57.283 56.400 -0.596 0.000 0.801 354 E CB -0.300 28.899 29.700 -0.834 0.000 0.746 354 E HN 0.513 nan 8.360 nan 0.000 0.450 355 A N 1.046 123.777 122.820 -0.147 0.000 1.902 355 A HA -0.150 4.171 4.320 0.002 0.000 0.217 355 A C 2.246 179.859 177.584 0.048 0.000 1.181 355 A CA 1.227 53.248 52.037 -0.028 0.000 0.623 355 A CB -0.673 18.316 19.000 -0.018 0.000 0.818 355 A HN 0.337 nan 8.150 nan 0.000 0.443 356 L N -0.845 120.371 121.223 -0.012 0.000 2.017 356 L HA -0.192 4.149 4.340 0.002 0.000 0.208 356 L C 3.143 180.042 176.870 0.049 0.000 1.073 356 L CA 1.006 55.855 54.840 0.015 0.000 0.745 356 L CB -0.562 41.488 42.059 -0.014 0.000 0.894 356 L HN 0.447 nan 8.230 nan 0.000 0.432 357 A N -0.566 122.251 122.820 -0.005 0.000 1.903 357 A HA -0.333 3.988 4.320 0.002 0.000 0.219 357 A C 2.184 179.766 177.584 -0.004 0.000 1.191 357 A CA 2.137 54.144 52.037 -0.051 0.000 0.638 357 A CB -1.041 17.886 19.000 -0.121 0.000 0.823 357 A HN 0.502 nan 8.150 nan 0.000 0.451 358 Y N 0.755 121.021 120.300 -0.056 0.000 2.133 358 Y HA -0.162 4.389 4.550 0.002 0.000 0.287 358 Y C 2.784 178.689 175.900 0.007 0.000 1.134 358 Y CA 2.382 60.465 58.100 -0.029 0.000 1.133 358 Y CB -0.650 37.792 38.460 -0.031 0.000 0.987 358 Y HN 0.303 nan 8.280 nan 0.000 0.502 359 T N 1.222 115.882 114.554 0.177 0.000 2.720 359 T HA -0.203 4.148 4.350 0.002 0.000 0.268 359 T C 1.936 176.664 174.700 0.046 0.000 1.037 359 T CA 2.056 64.246 62.100 0.150 0.000 1.144 359 T CB -0.456 68.551 68.868 0.232 0.000 0.864 359 T HN 0.343 nan 8.240 nan 0.000 0.444 360 I N 1.415 122.027 120.570 0.069 0.000 2.252 360 I HA -0.192 3.979 4.170 0.002 0.000 0.245 360 I C 2.727 178.766 176.117 -0.131 0.000 1.102 360 I CA 1.382 62.716 61.300 0.056 0.000 1.385 360 I CB -0.406 37.665 38.000 0.119 0.000 1.064 360 I HN 0.275 nan 8.210 nan 0.000 0.414 361 R N 0.810 121.201 120.500 -0.180 0.000 2.148 361 R HA -0.072 4.269 4.340 0.002 0.000 0.227 361 R C 1.775 177.886 176.300 -0.315 0.000 1.103 361 R CA 0.984 56.943 56.100 -0.235 0.000 0.983 361 R CB -0.244 29.928 30.300 -0.214 0.000 0.874 361 R HN 0.166 nan 8.270 nan 0.000 0.451 362 R N 0.026 120.288 120.500 -0.396 0.000 2.334 362 R HA 0.217 4.558 4.340 0.002 0.000 0.216 362 R C 1.375 177.423 176.300 -0.420 0.000 0.905 362 R CA 0.602 56.478 56.100 -0.374 0.000 1.064 362 R CB 0.349 30.392 30.300 -0.427 0.000 1.046 362 R HN 0.585 nan 8.270 nan 0.000 0.508 363 G N 0.952 109.434 108.800 -0.530 0.000 3.548 363 G HA2 -0.303 3.658 3.960 0.002 0.000 0.224 363 G HA3 -0.303 3.658 3.960 0.002 0.000 0.224 363 G C -0.201 174.520 174.900 -0.297 0.000 1.351 363 G CA 0.743 45.206 45.100 -1.062 0.000 0.905 363 G HN 0.385 nan 8.290 nan 0.000 0.561 364 W N -0.682 120.672 121.300 0.090 0.000 2.975 364 W HA 0.882 5.543 4.660 0.002 0.000 0.342 364 W C 0.618 177.258 176.519 0.200 0.000 1.168 364 W CA -1.064 56.424 57.345 0.237 0.000 1.141 364 W CB 0.702 30.368 29.460 0.343 0.000 1.445 364 W HN 0.257 nan 8.180 nan 0.000 0.560 365 R N -0.030 120.833 120.500 0.606 0.000 2.062 365 R HA 0.080 4.421 4.340 0.002 0.000 0.226 365 R C -0.272 176.203 176.300 0.290 0.000 1.125 365 R CA 0.716 57.079 56.100 0.439 0.000 0.966 365 R CB -0.407 30.124 30.300 0.384 0.000 0.861 365 R HN 0.539 nan 8.270 nan 0.000 0.433 366 Y N 1.573 122.063 120.300 0.317 0.000 2.504 366 Y HA 0.128 4.679 4.550 0.002 0.000 0.351 366 Y C 0.054 176.026 175.900 0.119 0.000 0.988 366 Y CA -0.003 58.184 58.100 0.145 0.000 1.239 366 Y CB 1.310 39.762 38.460 -0.013 0.000 1.128 366 Y HN 0.164 nan 8.280 nan 0.000 0.525 367 E N 2.225 122.583 120.200 0.264 0.000 2.685 367 E HA 0.269 4.620 4.350 0.002 0.000 0.208 367 E C 1.123 177.799 176.600 0.126 0.000 0.996 367 E CA 0.239 56.811 56.400 0.288 0.000 1.054 367 E CB 0.663 30.569 29.700 0.344 0.000 1.075 367 E HN 1.031 nan 8.360 nan 0.000 0.460 368 G N 1.558 110.391 108.800 0.055 0.000 2.367 368 G HA2 -0.213 3.748 3.960 0.002 0.000 0.181 368 G HA3 -0.213 3.748 3.960 0.002 0.000 0.181 368 G C 0.334 175.273 174.900 0.066 0.000 1.000 368 G CA -0.375 44.723 45.100 -0.004 0.000 0.693 368 G HN 0.213 nan 8.290 nan 0.000 0.480 369 Q N 0.604 120.479 119.800 0.125 0.000 2.443 369 Q HA 0.498 4.839 4.340 0.002 0.000 0.232 369 Q C -0.270 175.891 176.000 0.269 0.000 1.026 369 Q CA -0.694 55.208 55.803 0.164 0.000 0.924 369 Q CB 0.963 29.755 28.738 0.090 0.000 1.256 369 Q HN 0.400 nan 8.270 nan 0.000 0.519 370 F N 2.220 122.236 119.950 0.110 0.000 2.578 370 F HA 0.082 4.609 4.527 0.001 0.000 0.381 370 F C -0.276 175.650 175.800 0.210 0.000 1.069 370 F CA -0.250 57.809 58.000 0.097 0.000 1.231 370 F CB 0.383 39.411 39.000 0.046 0.000 1.086 370 F HN 0.559 nan 8.300 nan 0.000 0.564 371 W N 8.051 128.903 121.300 -0.746 0.000 2.342 371 W HA 0.495 5.155 4.660 0.001 0.000 0.310 371 W C -0.596 175.389 176.519 -0.889 0.000 1.128 371 W CA -0.643 56.254 57.345 -0.746 0.000 1.322 371 W CB 1.519 30.433 29.460 -0.910 0.000 1.251 371 W HN 0.697 nan 8.180 nan 0.000 0.439 372 A N 5.567 127.965 122.820 -0.703 0.000 2.345 372 A HA 0.173 4.494 4.320 0.002 0.000 0.225 372 A C 0.268 177.590 177.584 -0.437 0.000 1.243 372 A CA -0.105 51.691 52.037 -0.402 0.000 0.875 372 A CB -0.277 18.709 19.000 -0.024 0.000 0.929 372 A HN 0.302 nan 8.150 nan 0.000 0.502 373 V N 1.979 121.404 119.914 -0.815 0.000 2.509 373 V HA -0.046 4.075 4.120 0.002 0.000 0.297 373 V C 0.609 176.541 176.094 -0.271 0.000 1.014 373 V CA 0.323 62.253 62.300 -0.617 0.000 1.127 373 V CB -0.065 31.239 31.823 -0.865 0.000 0.925 373 V HN 0.452 nan 8.190 nan 0.000 0.480 374 K N 4.006 124.305 120.400 -0.168 0.000 2.451 374 K HA 0.336 4.657 4.320 0.002 0.000 0.280 374 K C 1.289 177.861 176.600 -0.047 0.000 1.020 374 K CA 0.909 57.150 56.287 -0.078 0.000 1.008 374 K CB 0.335 32.799 32.500 -0.060 0.000 0.917 374 K HN 1.064 nan 8.250 nan 0.000 0.478 375 G N 2.676 111.467 108.800 -0.014 0.000 2.199 375 G HA2 -0.289 3.672 3.960 0.002 0.000 0.254 375 G HA3 -0.289 3.672 3.960 0.002 0.000 0.254 375 G C 0.407 175.321 174.900 0.024 0.000 0.982 375 G CA 0.280 45.379 45.100 -0.001 0.000 0.632 375 G HN 0.717 nan 8.290 nan 0.000 0.529 376 E N -0.000 120.232 120.200 0.054 0.000 2.759 376 E HA 0.192 4.543 4.350 0.002 0.000 0.220 376 E C -0.258 176.499 176.600 0.262 0.000 0.974 376 E CA -0.299 56.193 56.400 0.154 0.000 1.148 376 E CB 0.545 30.430 29.700 0.308 0.000 1.059 376 E HN 0.562 nan 8.360 nan 0.000 0.493 377 E N 2.736 122.997 120.200 0.103 0.000 2.480 377 E HA -0.009 4.342 4.350 0.002 0.000 0.258 377 E C -0.001 176.662 176.600 0.104 0.000 0.984 377 E CA 0.713 57.086 56.400 -0.046 0.000 0.930 377 E CB 0.149 29.903 29.700 0.090 0.000 0.936 377 E HN 0.245 nan 8.360 nan 0.000 0.466 378 H N 0.452 119.338 119.070 -0.307 0.000 2.917 378 H HA 0.265 4.823 4.556 0.002 0.000 0.299 378 H C -1.077 174.199 175.328 -0.088 0.000 1.418 378 H CA -1.133 54.873 56.048 -0.069 0.000 1.138 378 H CB 0.429 30.176 29.762 -0.025 0.000 1.830 378 H HN 0.401 nan 8.280 nan 0.000 0.514 379 E N 1.432 121.630 120.200 -0.004 0.000 2.129 379 E HA 0.236 4.587 4.350 0.002 0.000 0.283 379 E C -0.081 176.380 176.600 -0.233 0.000 1.080 379 E CA -0.366 56.007 56.400 -0.044 0.000 0.867 379 E CB 1.510 31.269 29.700 0.098 0.000 1.056 379 E HN 0.250 nan 8.360 nan 0.000 0.404 380 R N 2.695 122.974 120.500 -0.368 0.000 2.294 380 R HA 0.487 4.828 4.340 0.002 0.000 0.319 380 R C 0.106 176.293 176.300 -0.190 0.000 0.984 380 R CA 0.300 56.155 56.100 -0.407 0.000 0.861 380 R CB 0.864 30.744 30.300 -0.700 0.000 1.104 380 R HN 0.708 nan 8.270 nan 0.000 0.451 381 G N 2.139 110.780 108.800 -0.264 0.000 2.757 381 G HA2 -0.187 3.774 3.960 0.002 0.000 0.638 381 G HA3 -0.187 3.774 3.960 0.002 0.000 0.638 381 G C -1.509 173.119 174.900 -0.453 0.000 1.344 381 G CA -0.637 44.297 45.100 -0.277 0.000 0.855 381 G HN 0.767 nan 8.290 nan 0.000 0.537 382 H N -0.506 118.612 119.070 0.080 0.000 2.980 382 H HA 0.595 5.152 4.556 0.001 0.000 0.367 382 H C -2.510 173.050 175.328 0.388 0.000 1.206 382 H CA -1.215 54.948 56.048 0.192 0.000 1.126 382 H CB 1.907 31.756 29.762 0.145 0.000 1.838 382 H HN 0.540 nan 8.280 nan 0.000 0.552 383 P HA -0.046 nan 4.420 nan 0.000 0.262 383 P C 0.416 177.922 177.300 0.343 0.000 1.182 383 P CA 0.298 63.589 63.100 0.318 0.000 0.761 383 P CB 0.608 32.425 31.700 0.197 0.000 0.795 384 S N 0.559 116.386 115.700 0.212 0.000 2.593 384 S HA -0.020 4.451 4.470 0.002 0.000 0.217 384 S C 0.944 175.516 174.600 -0.046 0.000 0.966 384 S CA 0.230 58.389 58.200 -0.069 0.000 0.914 384 S CB -0.699 62.193 63.200 -0.514 0.000 0.776 384 S HN 0.230 nan 8.310 nan 0.000 0.523 385 D N 3.178 123.587 120.400 0.015 0.000 2.158 385 D HA -0.047 4.594 4.640 0.002 0.000 0.197 385 D C 2.094 178.388 176.300 -0.009 0.000 0.995 385 D CA 1.554 55.555 54.000 0.001 0.000 0.846 385 D CB -0.450 40.361 40.800 0.019 0.000 0.941 385 D HN 0.604 nan 8.370 nan 0.000 0.456 386 A N 0.107 122.921 122.820 -0.010 0.000 2.015 386 A HA -0.004 4.317 4.320 0.002 0.000 0.219 386 A C 1.014 178.561 177.584 -0.061 0.000 1.163 386 A CA 0.478 52.500 52.037 -0.025 0.000 0.646 386 A CB -0.430 18.560 19.000 -0.018 0.000 0.806 386 A HN 0.179 nan 8.150 nan 0.000 0.448 387 L N 0.401 121.558 121.223 -0.109 0.000 2.371 387 L HA 0.377 4.718 4.340 0.002 0.000 0.272 387 L C 0.278 177.119 176.870 -0.047 0.000 1.124 387 L CA -0.548 54.166 54.840 -0.211 0.000 0.816 387 L CB 0.924 42.601 42.059 -0.637 0.000 1.129 387 L HN 0.230 nan 8.230 nan 0.000 0.448 388 E N 1.242 121.407 120.200 -0.059 0.000 2.232 388 E HA 0.424 4.775 4.350 0.002 0.000 0.265 388 E C 0.577 177.231 176.600 0.090 0.000 1.001 388 E CA 0.104 56.514 56.400 0.016 0.000 0.870 388 E CB 1.818 31.505 29.700 -0.023 0.000 1.175 388 E HN 0.543 nan 8.360 nan 0.000 0.407 389 A N 3.266 126.125 122.820 0.063 0.000 1.915 389 A HA -0.152 4.169 4.320 0.002 0.000 0.220 389 A C -0.789 176.814 177.584 0.033 0.000 1.198 389 A CA 2.074 54.133 52.037 0.036 0.000 0.647 389 A CB -1.778 17.172 19.000 -0.082 0.000 0.825 389 A HN 0.676 nan 8.150 nan 0.000 0.456 390 P HA -0.074 nan 4.420 nan 0.000 0.223 390 P C 0.850 178.135 177.300 -0.025 0.000 1.151 390 P CA 0.950 64.031 63.100 -0.032 0.000 0.787 390 P CB -0.138 31.544 31.700 -0.031 0.000 0.788 391 N N -0.907 117.744 118.700 -0.081 0.000 2.364 391 N HA -0.068 4.673 4.740 0.002 0.000 0.183 391 N C 0.110 175.459 175.510 -0.268 0.000 1.022 391 N CA 0.805 53.733 53.050 -0.204 0.000 0.883 391 N CB -0.366 37.888 38.487 -0.387 0.000 0.965 391 N HN 0.241 nan 8.380 nan 0.000 0.438 392 F N 0.584 120.460 119.950 -0.124 0.000 2.405 392 F HA 0.287 4.815 4.527 0.001 0.000 0.355 392 F C 0.371 176.088 175.800 -0.139 0.000 1.121 392 F CA -0.804 57.124 58.000 -0.119 0.000 1.112 392 F CB 1.155 39.954 39.000 -0.336 0.000 1.126 392 F HN -0.375 nan 8.300 nan 0.000 0.481 393 V N 4.847 124.872 119.914 0.185 0.000 2.383 393 V HA 0.242 4.363 4.120 0.002 0.000 0.275 393 V C -0.528 175.671 176.094 0.175 0.000 1.036 393 V CA -0.750 61.605 62.300 0.091 0.000 0.889 393 V CB 0.380 32.214 31.823 0.018 0.000 0.985 393 V HN 0.447 nan 8.190 nan 0.000 0.459 394 Y N 3.650 123.875 120.300 -0.124 0.000 2.420 394 Y HA 0.773 5.323 4.550 0.002 0.000 0.334 394 Y C 0.434 176.259 175.900 -0.125 0.000 1.094 394 Y CA -1.603 56.395 58.100 -0.170 0.000 1.126 394 Y CB 1.870 40.024 38.460 -0.509 0.000 1.217 394 Y HN 0.905 nan 8.280 nan 0.000 0.462 395 C N 1.452 120.850 119.300 0.164 0.000 3.321 395 C HA 0.630 5.091 4.460 0.002 0.000 0.329 395 C C 0.643 175.816 174.990 0.305 0.000 1.394 395 C CA -1.060 58.041 59.018 0.139 0.000 1.291 395 C CB 0.616 28.321 27.740 -0.058 0.000 1.606 395 C HN 0.900 nan 8.230 nan 0.000 0.463 396 I N -2.062 118.657 120.570 0.248 0.000 4.082 396 I HA 0.338 4.509 4.170 0.002 0.000 0.337 396 I C -0.155 176.156 176.117 0.323 0.000 1.352 396 I CA 0.429 61.879 61.300 0.251 0.000 1.097 396 I CB -0.054 38.015 38.000 0.116 0.000 1.048 396 I HN 0.681 nan 8.210 nan 0.000 0.393 397 Q N 2.650 122.575 119.800 0.209 0.000 2.353 397 Q HA 0.435 4.775 4.340 0.002 0.000 0.275 397 Q C -1.585 174.381 176.000 -0.058 0.000 1.029 397 Q CA -0.407 55.456 55.803 0.099 0.000 0.848 397 Q CB 2.663 31.473 28.738 0.121 0.000 1.390 397 Q HN 0.576 nan 8.270 nan 0.000 0.401 398 N N -1.232 117.321 118.700 -0.246 0.000 3.106 398 N HA 0.153 4.894 4.740 0.002 0.000 0.253 398 N C 0.704 175.804 175.510 -0.682 0.000 1.506 398 N CA -0.462 52.395 53.050 -0.322 0.000 0.876 398 N CB 0.050 38.378 38.487 -0.264 0.000 1.452 398 N HN 0.583 nan 8.380 nan 0.000 0.542 399 H N -1.398 117.362 119.070 -0.517 0.000 2.352 399 H HA -0.066 4.491 4.556 0.001 0.000 0.299 399 H C -0.184 174.945 175.328 -0.331 0.000 1.097 399 H CA 1.736 57.363 56.048 -0.701 0.000 1.311 399 H CB -0.207 29.316 29.762 -0.398 0.000 1.377 399 H HN 0.542 nan 8.280 nan 0.000 0.504 400 D N 0.735 120.807 120.400 -0.547 0.000 2.137 400 D HA -0.081 4.560 4.640 0.002 0.000 0.202 400 D C 2.321 178.617 176.300 -0.007 0.000 0.970 400 D CA 0.666 54.601 54.000 -0.109 0.000 0.837 400 D CB 0.011 40.696 40.800 -0.191 0.000 0.981 400 D HN 0.362 nan 8.370 nan 0.000 0.475 401 Q N 0.006 119.719 119.800 -0.144 0.000 2.436 401 Q HA 0.046 4.387 4.340 0.002 0.000 0.209 401 Q C 2.166 178.206 176.000 0.068 0.000 0.965 401 Q CA 0.316 56.100 55.803 -0.033 0.000 0.910 401 Q CB 0.439 28.960 28.738 -0.361 0.000 0.980 401 Q HN 0.449 nan 8.270 nan 0.000 0.491 402 I N -1.092 119.457 120.570 -0.036 0.000 2.681 402 I HA 0.018 4.189 4.170 0.002 0.000 0.247 402 I C 2.142 178.367 176.117 0.180 0.000 1.091 402 I CA 0.853 62.169 61.300 0.028 0.000 1.442 402 I CB -0.454 37.469 38.000 -0.130 0.000 1.219 402 I HN 0.106 nan 8.210 nan 0.000 0.451 403 G N 1.731 110.722 108.800 0.319 0.000 2.471 403 G HA2 -0.230 3.731 3.960 0.002 0.000 0.219 403 G HA3 -0.230 3.731 3.960 0.002 0.000 0.219 403 G C 1.250 176.461 174.900 0.518 0.000 1.125 403 G CA 0.870 46.350 45.100 0.634 0.000 0.775 403 G HN 0.504 nan 8.290 nan 0.000 0.548 404 N N 0.482 119.415 118.700 0.388 0.000 2.512 404 N HA -0.044 4.697 4.740 0.002 0.000 0.183 404 N C 0.880 176.548 175.510 0.263 0.000 1.073 404 N CA 0.062 53.292 53.050 0.301 0.000 0.911 404 N CB -0.214 38.431 38.487 0.264 0.000 0.964 404 N HN 0.231 nan 8.380 nan 0.000 0.447 405 R N 0.857 121.446 120.500 0.149 0.000 2.441 405 R HA 0.181 4.522 4.340 0.002 0.000 0.284 405 R C -1.432 174.694 176.300 -0.290 0.000 1.070 405 R CA -1.577 54.508 56.100 -0.024 0.000 1.047 405 R CB 0.407 30.713 30.300 0.009 0.000 1.016 405 R HN 0.105 nan 8.270 nan 0.000 0.477 406 P HA -0.188 nan 4.420 nan 0.000 0.217 406 P C 0.769 177.839 177.300 -0.383 0.000 1.151 406 P CA 1.610 64.078 63.100 -1.053 0.000 0.849 406 P CB 0.179 31.293 31.700 -0.976 0.000 0.787 407 L N -2.580 118.514 121.223 -0.214 0.000 2.640 407 L HA 0.337 4.678 4.340 0.002 0.000 0.230 407 L C 1.288 178.152 176.870 -0.010 0.000 1.123 407 L CA 0.357 55.146 54.840 -0.085 0.000 0.900 407 L CB -0.772 41.243 42.059 -0.074 0.000 1.146 407 L HN 0.063 nan 8.230 nan 0.000 0.484 408 G N 1.827 110.634 108.800 0.012 0.000 2.283 408 G HA2 -0.287 3.674 3.960 0.002 0.000 0.280 408 G HA3 -0.287 3.674 3.960 0.002 0.000 0.280 408 G C 0.308 175.258 174.900 0.084 0.000 1.029 408 G CA 0.598 45.760 45.100 0.104 0.000 0.840 408 G HN 0.550 nan 8.290 nan 0.000 0.505 409 E N 0.335 120.547 120.200 0.021 0.000 2.349 409 E HA 0.433 4.784 4.350 0.002 0.000 0.265 409 E C 0.565 177.155 176.600 -0.017 0.000 1.064 409 E CA -0.532 55.858 56.400 -0.016 0.000 0.886 409 E CB 0.944 30.605 29.700 -0.065 0.000 1.036 409 E HN 0.498 nan 8.360 nan 0.000 0.413 410 R N 1.045 121.502 120.500 -0.072 0.000 2.583 410 R HA 0.147 4.488 4.340 0.002 0.000 0.268 410 R C 1.290 177.546 176.300 -0.073 0.000 1.101 410 R CA -0.706 55.374 56.100 -0.032 0.000 1.180 410 R CB 0.291 30.596 30.300 0.008 0.000 1.128 410 R HN 0.465 nan 8.270 nan 0.000 0.568 411 L N 1.658 122.965 121.223 0.139 0.000 2.012 411 L HA -0.213 4.128 4.340 0.002 0.000 0.210 411 L C 2.135 179.061 176.870 0.094 0.000 1.073 411 L CA 2.151 57.101 54.840 0.184 0.000 0.748 411 L CB -0.785 41.510 42.059 0.393 0.000 0.891 411 L HN 0.813 nan 8.230 nan 0.000 0.431 412 H N -2.588 116.413 119.070 -0.115 0.000 2.545 412 H HA -0.020 4.537 4.556 0.002 0.000 0.282 412 H C 1.734 176.978 175.328 -0.141 0.000 1.020 412 H CA 1.018 56.913 56.048 -0.255 0.000 1.243 412 H CB -0.385 28.894 29.762 -0.804 0.000 1.377 412 H HN 0.545 nan 8.280 nan 0.000 0.581 413 Q N 0.714 120.190 119.800 -0.539 0.000 2.402 413 Q HA 0.155 4.496 4.340 0.002 0.000 0.206 413 Q C 0.308 176.207 176.000 -0.168 0.000 0.919 413 Q CA 0.042 55.635 55.803 -0.351 0.000 0.923 413 Q CB 0.662 29.168 28.738 -0.386 0.000 1.048 413 Q HN 0.296 nan 8.270 nan 0.000 0.515 414 S N 1.693 117.317 115.700 -0.127 0.000 2.579 414 S HA 0.014 4.485 4.470 0.002 0.000 0.275 414 S C -0.208 174.352 174.600 -0.068 0.000 1.345 414 S CA -0.418 57.731 58.200 -0.085 0.000 1.031 414 S CB 0.413 63.568 63.200 -0.074 0.000 0.892 414 S HN 0.138 nan 8.310 nan 0.000 0.529 415 D N 1.098 121.459 120.400 -0.065 0.000 2.450 415 D HA 0.367 5.008 4.640 0.002 0.000 0.247 415 D C 1.293 177.566 176.300 -0.046 0.000 1.162 415 D CA 1.578 55.546 54.000 -0.052 0.000 0.879 415 D CB 0.491 41.260 40.800 -0.051 0.000 1.163 415 D HN 0.768 nan 8.370 nan 0.000 0.472 416 G N 1.368 110.148 108.800 -0.034 0.000 2.358 416 G HA2 -0.284 3.677 3.960 0.002 0.000 0.224 416 G HA3 -0.284 3.677 3.960 0.002 0.000 0.224 416 G C 0.381 175.277 174.900 -0.007 0.000 1.073 416 G CA 0.036 45.121 45.100 -0.025 0.000 0.635 416 G HN 0.555 nan 8.290 nan 0.000 0.509 417 V N 3.527 123.443 119.914 0.002 0.000 2.540 417 V HA 0.448 4.569 4.120 0.002 0.000 0.297 417 V C 1.323 177.456 176.094 0.065 0.000 1.024 417 V CA 0.764 63.094 62.300 0.049 0.000 1.105 417 V CB 0.680 32.545 31.823 0.070 0.000 0.938 417 V HN 0.920 nan 8.190 nan 0.000 0.482 418 T N 2.748 117.360 114.554 0.096 0.000 2.918 418 T HA 0.477 4.827 4.350 0.002 0.000 0.283 418 T C 1.050 175.858 174.700 0.180 0.000 1.001 418 T CA -0.726 61.428 62.100 0.090 0.000 1.041 418 T CB 1.105 70.003 68.868 0.050 0.000 1.028 418 T HN 0.327 nan 8.240 nan 0.000 0.511 419 L N 0.485 121.801 121.223 0.156 0.000 2.191 419 L HA -0.082 4.259 4.340 0.002 0.000 0.212 419 L C 2.776 179.888 176.870 0.402 0.000 1.103 419 L CA 1.333 56.325 54.840 0.253 0.000 0.769 419 L CB -0.621 41.549 42.059 0.185 0.000 0.908 419 L HN 0.850 nan 8.230 nan 0.000 0.438 420 H N -0.578 118.602 119.070 0.182 0.000 2.357 420 H HA -0.158 4.399 4.556 0.002 0.000 0.301 420 H C 2.065 177.541 175.328 0.247 0.000 1.082 420 H CA 1.209 57.370 56.048 0.189 0.000 1.342 420 H CB 0.261 30.120 29.762 0.160 0.000 1.389 420 H HN 0.419 nan 8.280 nan 0.000 0.511 421 E N 0.356 120.804 120.200 0.413 0.000 2.077 421 E HA -0.210 4.141 4.350 0.002 0.000 0.193 421 E C 1.912 178.778 176.600 0.444 0.000 0.989 421 E CA 0.917 57.596 56.400 0.466 0.000 0.800 421 E CB -0.137 29.770 29.700 0.345 0.000 0.746 421 E HN 0.426 nan 8.360 nan 0.000 0.452 422 Y N 1.689 122.129 120.300 0.233 0.000 2.165 422 Y HA -0.227 4.324 4.550 0.001 0.000 0.286 422 Y C 2.129 178.089 175.900 0.100 0.000 1.155 422 Y CA 1.672 59.878 58.100 0.176 0.000 1.164 422 Y CB 0.066 38.632 38.460 0.177 0.000 0.978 422 Y HN -0.144 nan 8.280 nan 0.000 0.513 423 R N -0.762 119.847 120.500 0.182 0.000 2.092 423 R HA -0.081 4.260 4.340 0.002 0.000 0.231 423 R C 2.568 178.735 176.300 -0.221 0.000 1.119 423 R CA 0.944 57.038 56.100 -0.010 0.000 0.970 423 R CB -0.857 29.490 30.300 0.078 0.000 0.864 423 R HN 0.500 nan 8.270 nan 0.000 0.440 424 G N 0.958 109.634 108.800 -0.207 0.000 2.440 424 G HA2 -0.292 3.668 3.960 0.002 0.000 0.218 424 G HA3 -0.292 3.668 3.960 0.002 0.000 0.218 424 G C 1.555 175.670 174.900 -1.308 0.000 1.154 424 G CA 0.866 45.537 45.100 -0.715 0.000 0.767 424 G HN 0.404 nan 8.290 nan 0.000 0.552 425 A N 1.130 123.392 122.820 -0.930 0.000 1.933 425 A HA 0.241 4.562 4.320 0.002 0.000 0.218 425 A C 2.816 180.092 177.584 -0.513 0.000 1.175 425 A CA 2.277 53.837 52.037 -0.796 0.000 0.628 425 A CB -0.755 18.136 19.000 -0.182 0.000 0.814 425 A HN 0.800 nan 8.150 nan 0.000 0.444 426 A N -0.076 122.457 122.820 -0.478 0.000 1.877 426 A HA 0.142 4.463 4.320 0.002 0.000 0.216 426 A C 2.528 179.839 177.584 -0.456 0.000 1.186 426 A CA 2.168 53.911 52.037 -0.490 0.000 0.620 426 A CB -1.080 17.463 19.000 -0.761 0.000 0.822 426 A HN 1.081 nan 8.150 nan 0.000 0.443 427 A N -0.525 122.014 122.820 -0.469 0.000 1.902 427 A HA -0.044 4.277 4.320 0.002 0.000 0.217 427 A C 2.152 179.561 177.584 -0.292 0.000 1.181 427 A CA 1.799 53.618 52.037 -0.364 0.000 0.623 427 A CB -0.663 18.128 19.000 -0.348 0.000 0.818 427 A HN 0.706 nan 8.150 nan 0.000 0.443 428 L N -0.665 120.337 121.223 -0.367 0.000 1.976 428 L HA -0.140 4.201 4.340 0.002 0.000 0.209 428 L C 2.283 179.126 176.870 -0.044 0.000 1.071 428 L CA 2.286 57.031 54.840 -0.159 0.000 0.746 428 L CB -0.756 41.225 42.059 -0.131 0.000 0.890 428 L HN 0.348 nan 8.230 nan 0.000 0.432 429 L N -0.548 120.659 121.223 -0.027 0.000 2.013 429 L HA -0.220 4.121 4.340 0.002 0.000 0.212 429 L C 2.158 178.980 176.870 -0.081 0.000 1.073 429 L CA 2.023 56.861 54.840 -0.004 0.000 0.753 429 L CB -0.629 41.451 42.059 0.036 0.000 0.890 429 L HN 0.343 nan 8.230 nan 0.000 0.432 430 L N -1.151 119.996 121.223 -0.127 0.000 2.558 430 L HA 0.020 4.361 4.340 0.002 0.000 0.225 430 L C 1.708 178.516 176.870 -0.102 0.000 1.128 430 L CA 0.883 55.651 54.840 -0.121 0.000 0.868 430 L CB -0.656 41.303 42.059 -0.167 0.000 1.006 430 L HN 0.485 nan 8.230 nan 0.000 0.454 431 T N -3.689 110.806 114.554 -0.098 0.000 3.069 431 T HA 0.253 4.604 4.350 0.002 0.000 0.252 431 T C 0.649 175.311 174.700 -0.063 0.000 1.053 431 T CA -0.227 61.830 62.100 -0.073 0.000 0.964 431 T CB 0.054 68.882 68.868 -0.065 0.000 1.005 431 T HN -0.009 nan 8.240 nan 0.000 0.532 432 L N 2.916 124.092 121.223 -0.078 0.000 2.418 432 L HA 0.438 4.779 4.340 0.002 0.000 0.265 432 L C -1.666 175.126 176.870 -0.131 0.000 1.143 432 L CA -2.302 52.479 54.840 -0.098 0.000 0.809 432 L CB 0.632 42.619 42.059 -0.121 0.000 1.124 432 L HN 0.099 nan 8.230 nan 0.000 0.456 436 P HA 0.671 nan 4.420 nan 0.000 0.284 436 P C -1.022 176.316 177.300 0.063 0.000 1.258 436 P CA -0.804 62.291 63.100 -0.009 0.000 0.824 436 P CB 1.494 33.178 31.700 -0.027 0.000 1.038 437 L N 2.629 123.878 121.223 0.043 0.000 2.386 437 L HA 0.548 4.889 4.340 0.002 0.000 0.271 437 L C -1.286 175.600 176.870 0.027 0.000 0.993 437 L CA -0.895 53.975 54.840 0.051 0.000 0.819 437 L CB 1.350 43.307 42.059 -0.169 0.000 1.294 437 L HN 0.202 nan 8.230 nan 0.000 0.414 438 L N 3.685 124.935 121.223 0.044 0.000 2.334 438 L HA 0.501 4.842 4.340 0.002 0.000 0.273 438 L C -0.941 175.840 176.870 -0.147 0.000 1.013 438 L CA -0.605 54.233 54.840 -0.002 0.000 0.816 438 L CB 1.916 44.006 42.059 0.051 0.000 1.278 438 L HN 0.495 nan 8.230 nan 0.000 0.431 439 F N 1.853 121.621 119.950 -0.305 0.000 2.397 439 F HA 0.291 4.819 4.527 0.002 0.000 0.331 439 F C 0.371 175.819 175.800 -0.586 0.000 1.090 439 F CA -0.705 57.056 58.000 -0.398 0.000 1.065 439 F CB 1.259 40.092 39.000 -0.278 0.000 1.184 439 F HN 0.537 nan 8.300 nan 0.000 0.499 440 Q N 3.583 122.507 119.800 -1.460 0.000 2.304 440 Q HA 0.302 4.643 4.340 0.002 0.000 0.315 440 Q C 0.817 176.405 176.000 -0.686 0.000 1.075 440 Q CA 0.605 55.797 55.803 -1.018 0.000 0.988 440 Q CB 0.104 28.485 28.738 -0.595 0.000 1.146 440 Q HN 1.168 nan 8.270 nan 0.000 0.383 441 G N 2.442 110.809 108.800 -0.721 0.000 2.267 441 G HA2 -0.458 3.503 3.960 0.002 0.000 0.257 441 G HA3 -0.458 3.503 3.960 0.002 0.000 0.257 441 G C 0.842 175.173 174.900 -0.949 0.000 0.998 441 G CA 0.627 44.897 45.100 -1.384 0.000 0.620 441 G HN 0.906 nan 8.290 nan 0.000 0.529 442 Q N 0.739 120.262 119.800 -0.461 0.000 2.226 442 Q HA -0.087 4.253 4.340 0.002 0.000 0.204 442 Q C 2.101 177.832 176.000 -0.449 0.000 0.975 442 Q CA 1.965 57.634 55.803 -0.224 0.000 0.866 442 Q CB -0.397 28.321 28.738 -0.032 0.000 0.915 442 Q HN 0.648 nan 8.270 nan 0.000 0.440 443 E N 0.999 120.815 120.200 -0.639 0.000 2.268 443 E HA -0.193 4.158 4.350 0.002 0.000 0.195 443 E C 0.898 177.335 176.600 -0.272 0.000 0.995 443 E CA 1.200 57.014 56.400 -0.976 0.000 0.836 443 E CB -0.356 29.132 29.700 -0.353 0.000 0.763 443 E HN 0.852 nan 8.360 nan 0.000 0.491 444 W N -0.108 121.123 121.300 -0.114 0.000 2.926 444 W HA 0.727 5.389 4.660 0.002 0.000 0.419 444 W C 0.173 176.749 176.519 0.096 0.000 0.993 444 W CA -0.720 56.643 57.345 0.031 0.000 2.025 444 W CB -0.133 29.344 29.460 0.029 0.000 1.152 444 W HN 0.148 nan 8.180 nan 0.000 0.659 445 A N 0.974 123.779 122.820 -0.025 0.000 2.466 445 A HA 0.084 4.405 4.320 0.002 0.000 0.295 445 A C 1.070 178.613 177.584 -0.069 0.000 1.465 445 A CA 0.733 52.522 52.037 -0.414 0.000 0.744 445 A CB -1.850 16.843 19.000 -0.512 0.000 1.098 445 A HN 1.479 nan 8.150 nan 0.000 0.402 446 A N 0.915 123.592 122.820 -0.239 0.000 2.565 446 A HA 0.451 4.772 4.320 0.002 0.000 0.237 446 A C 1.604 179.326 177.584 0.230 0.000 1.053 446 A CA 0.789 52.747 52.037 -0.132 0.000 0.755 446 A CB -0.047 18.689 19.000 -0.441 0.000 0.980 446 A HN 2.090 nan 8.150 nan 0.000 0.506 447 S N 1.231 117.071 115.700 0.234 0.000 2.522 447 S HA 0.012 4.483 4.470 0.002 0.000 0.227 447 S C 0.805 175.478 174.600 0.122 0.000 0.986 447 S CA 0.779 59.114 58.200 0.226 0.000 0.929 447 S CB -0.747 62.576 63.200 0.205 0.000 0.769 447 S HN 1.169 nan 8.310 nan 0.000 0.529 448 T N 1.327 115.945 114.554 0.107 0.000 2.875 448 T HA 0.616 4.967 4.350 0.002 0.000 0.284 448 T C -2.758 172.018 174.700 0.127 0.000 0.995 448 T CA -2.222 59.937 62.100 0.098 0.000 1.060 448 T CB 1.591 70.516 68.868 0.095 0.000 0.967 448 T HN 0.055 nan 8.240 nan 0.000 0.476 449 P HA 0.355 nan 4.420 nan 0.000 0.277 449 P C -1.196 176.284 177.300 0.300 0.000 1.271 449 P CA -0.720 62.475 63.100 0.159 0.000 0.795 449 P CB 0.586 32.351 31.700 0.110 0.000 1.101 450 F N 0.413 120.461 119.950 0.163 0.000 2.532 450 F HA 0.319 4.847 4.527 0.002 0.000 0.365 450 F C -0.036 175.963 175.800 0.331 0.000 1.112 450 F CA -0.431 57.719 58.000 0.250 0.000 1.082 450 F CB 0.986 40.088 39.000 0.170 0.000 1.319 450 F HN 0.175 nan 8.300 nan 0.000 0.457 451 Q N 3.745 123.600 119.800 0.092 0.000 2.193 451 Q HA 0.309 4.650 4.340 0.002 0.000 0.246 451 Q C -1.074 175.100 176.000 0.290 0.000 0.959 451 Q CA -1.102 54.835 55.803 0.223 0.000 0.904 451 Q CB 2.094 30.949 28.738 0.195 0.000 1.238 451 Q HN 0.624 nan 8.270 nan 0.000 0.469 452 F N 3.046 123.039 119.950 0.073 0.000 2.506 452 F HA 0.288 4.816 4.527 0.002 0.000 0.371 452 F C -1.099 174.558 175.800 -0.239 0.000 1.078 452 F CA -0.608 57.127 58.000 -0.441 0.000 1.195 452 F CB 0.019 38.657 39.000 -0.603 0.000 1.099 452 F HN 0.365 nan 8.300 nan 0.000 0.548 453 F N 3.177 122.475 119.950 -1.086 0.000 2.576 453 F HA 0.845 5.373 4.527 0.002 0.000 0.313 453 F C -0.905 174.338 175.800 -0.927 0.000 1.078 453 F CA -0.913 56.661 58.000 -0.710 0.000 0.921 453 F CB 1.170 40.069 39.000 -0.168 0.000 1.232 453 F HN 0.429 nan 8.300 nan 0.000 0.459 454 S N 0.015 115.502 115.700 -0.355 0.000 2.705 454 S HA 0.647 5.118 4.470 0.002 0.000 0.280 454 S C -1.644 172.889 174.600 -0.111 0.000 1.174 454 S CA -0.628 57.401 58.200 -0.284 0.000 0.823 454 S CB 2.001 65.048 63.200 -0.255 0.000 1.162 454 S HN 0.808 nan 8.310 nan 0.000 0.487 455 D N -0.255 120.048 120.400 -0.162 0.000 3.216 455 D HA 0.245 4.886 4.640 0.002 0.000 0.348 455 D C -0.890 175.349 176.300 -0.103 0.000 1.407 455 D CA -0.182 53.768 54.000 -0.082 0.000 0.744 455 D CB -0.129 40.642 40.800 -0.049 0.000 1.264 455 D HN 0.539 nan 8.370 nan 0.000 0.543 456 H N 0.163 119.256 119.070 0.039 0.000 2.679 456 H HA 0.577 5.134 4.556 0.002 0.000 0.369 456 H C 0.388 175.739 175.328 0.039 0.000 1.178 456 H CA 0.040 56.110 56.048 0.036 0.000 1.419 456 H CB 1.302 31.067 29.762 0.006 0.000 1.458 456 H HN 0.291 nan 8.280 nan 0.000 0.605 457 A N 1.225 124.164 122.820 0.198 0.000 2.302 457 A HA 0.512 4.833 4.320 0.002 0.000 0.285 457 A C 1.102 178.735 177.584 0.082 0.000 1.105 457 A CA 0.295 52.400 52.037 0.113 0.000 0.816 457 A CB 0.004 19.064 19.000 0.100 0.000 1.067 457 A HN 0.915 nan 8.150 nan 0.000 0.489 458 G N 0.897 109.730 108.800 0.055 0.000 2.627 458 G HA2 -0.354 3.607 3.960 0.002 0.000 0.312 458 G HA3 -0.354 3.607 3.960 0.002 0.000 0.312 458 G C 0.783 175.705 174.900 0.038 0.000 1.299 458 G CA 0.996 46.118 45.100 0.036 0.000 0.989 458 G HN 0.867 nan 8.290 nan 0.000 0.547 459 E N -0.452 119.762 120.200 0.023 0.000 2.118 459 E HA -0.124 4.227 4.350 0.002 0.000 0.195 459 E C 2.620 179.239 176.600 0.030 0.000 0.992 459 E CA 1.339 57.752 56.400 0.022 0.000 0.804 459 E CB -0.145 29.560 29.700 0.009 0.000 0.741 459 E HN 0.379 nan 8.360 nan 0.000 0.458 460 L N 0.580 121.818 121.223 0.024 0.000 2.017 460 L HA -0.071 4.270 4.340 0.002 0.000 0.208 460 L C 2.173 179.083 176.870 0.068 0.000 1.073 460 L CA 2.281 57.130 54.840 0.014 0.000 0.745 460 L CB -0.972 41.047 42.059 -0.066 0.000 0.894 460 L HN 0.099 nan 8.230 nan 0.000 0.432 461 G N -1.370 107.494 108.800 0.107 0.000 2.446 461 G HA2 -0.301 3.660 3.960 0.002 0.000 0.217 461 G HA3 -0.301 3.660 3.960 0.002 0.000 0.217 461 G C 1.451 176.412 174.900 0.101 0.000 1.168 461 G CA 0.844 46.025 45.100 0.134 0.000 0.771 461 G HN 0.568 nan 8.290 nan 0.000 0.551 462 Q N 0.175 120.019 119.800 0.074 0.000 2.124 462 Q HA -0.011 4.330 4.340 0.002 0.000 0.202 462 Q C 3.001 179.039 176.000 0.062 0.000 0.977 462 Q CA 1.225 57.064 55.803 0.060 0.000 0.850 462 Q CB -0.267 28.497 28.738 0.043 0.000 0.901 462 Q HN 0.494 nan 8.270 nan 0.000 0.429 463 A N 0.346 123.204 122.820 0.063 0.000 1.930 463 A HA -0.124 4.197 4.320 0.002 0.000 0.217 463 A C 2.333 179.968 177.584 0.085 0.000 1.175 463 A CA 1.199 53.273 52.037 0.061 0.000 0.627 463 A CB -0.609 18.425 19.000 0.058 0.000 0.815 463 A HN 0.205 nan 8.150 nan 0.000 0.443 464 V N -0.102 119.889 119.914 0.128 0.000 2.295 464 V HA -0.233 3.888 4.120 0.002 0.000 0.246 464 V C 2.802 178.980 176.094 0.140 0.000 1.049 464 V CA 2.352 64.756 62.300 0.174 0.000 1.024 464 V CB -0.887 31.091 31.823 0.259 0.000 0.648 464 V HN 0.560 nan 8.190 nan 0.000 0.447 465 S N -0.485 115.286 115.700 0.118 0.000 2.359 465 S HA -0.261 4.210 4.470 0.002 0.000 0.224 465 S C 2.037 176.685 174.600 0.080 0.000 1.035 465 S CA 1.858 60.119 58.200 0.102 0.000 1.018 465 S CB -0.318 62.932 63.200 0.083 0.000 0.876 465 S HN 0.665 nan 8.310 nan 0.000 0.448 466 E N 1.115 121.351 120.200 0.060 0.000 2.051 466 E HA -0.072 4.279 4.350 0.002 0.000 0.192 466 E C 2.119 178.732 176.600 0.021 0.000 0.991 466 E CA 1.415 57.838 56.400 0.038 0.000 0.799 466 E CB -0.931 28.785 29.700 0.026 0.000 0.748 466 E HN 0.416 nan 8.360 nan 0.000 0.449 467 G N 0.191 109.001 108.800 0.016 0.000 2.469 467 G HA2 -0.363 3.598 3.960 0.002 0.000 0.219 467 G HA3 -0.363 3.598 3.960 0.002 0.000 0.219 467 G C 1.809 176.682 174.900 -0.045 0.000 1.150 467 G CA 1.115 46.199 45.100 -0.027 0.000 0.763 467 G HN 0.201 nan 8.290 nan 0.000 0.561 468 R N 0.650 121.163 120.500 0.021 0.000 2.075 468 R HA 0.067 4.408 4.340 0.002 0.000 0.232 468 R C 2.435 178.801 176.300 0.110 0.000 1.126 468 R CA 1.777 57.917 56.100 0.068 0.000 0.963 468 R CB -0.505 29.900 30.300 0.175 0.000 0.858 468 R HN 0.390 nan 8.270 nan 0.000 0.435 469 K N 0.302 120.758 120.400 0.094 0.000 2.009 469 K HA -0.175 4.146 4.320 0.002 0.000 0.210 469 K C 1.791 178.425 176.600 0.056 0.000 1.049 469 K CA 1.918 58.262 56.287 0.094 0.000 0.929 469 K CB -0.026 32.513 32.500 0.065 0.000 0.714 469 K HN 0.085 nan 8.250 nan 0.000 0.440 470 K N 0.407 120.806 120.400 -0.001 0.000 2.097 470 K HA -0.181 4.140 4.320 0.002 0.000 0.205 470 K C 2.099 178.639 176.600 -0.101 0.000 1.050 470 K CA 1.504 57.767 56.287 -0.039 0.000 0.938 470 K CB -0.047 32.423 32.500 -0.050 0.000 0.718 470 K HN 0.333 nan 8.250 nan 0.000 0.442 471 E N 0.258 120.339 120.200 -0.199 0.000 2.160 471 E HA -0.152 4.199 4.350 0.002 0.000 0.195 471 E C -0.029 176.254 176.600 -0.528 0.000 0.991 471 E CA 0.896 57.039 56.400 -0.429 0.000 0.810 471 E CB 0.110 29.424 29.700 -0.643 0.000 0.742 471 E HN 0.089 nan 8.360 nan 0.000 0.466 483 V N 2.559 122.491 119.914 0.029 0.000 2.572 483 V HA 0.234 4.355 4.120 0.002 0.000 0.291 483 V C -1.610 174.516 176.094 0.053 0.000 1.039 483 V CA -0.698 61.619 62.300 0.029 0.000 1.055 483 V CB 0.300 32.182 31.823 0.099 0.000 0.969 483 V HN 0.426 nan 8.190 nan 0.000 0.482 484 P HA 0.077 nan 4.420 nan 0.000 0.271 484 P C -0.589 176.768 177.300 0.095 0.000 1.220 484 P CA -0.256 62.885 63.100 0.068 0.000 0.768 484 P CB 0.563 32.306 31.700 0.070 0.000 0.848 485 D N 5.101 125.553 120.400 0.087 0.000 2.382 485 D HA 0.020 4.661 4.640 0.002 0.000 0.259 485 D C -1.240 175.120 176.300 0.100 0.000 1.224 485 D CA -2.061 51.996 54.000 0.095 0.000 0.894 485 D CB 0.651 41.497 40.800 0.077 0.000 1.127 485 D HN 0.166 nan 8.370 nan 0.000 0.487 486 P HA -0.157 nan 4.420 nan 0.000 0.219 486 P C 0.966 178.281 177.300 0.026 0.000 1.146 486 P CA 0.981 64.110 63.100 0.048 0.000 0.808 486 P CB 0.338 32.083 31.700 0.076 0.000 0.779 487 Q N -0.689 119.147 119.800 0.059 0.000 2.435 487 Q HA 0.116 4.457 4.340 0.002 0.000 0.207 487 Q C 0.974 177.009 176.000 0.059 0.000 0.956 487 Q CA 0.271 56.106 55.803 0.053 0.000 0.917 487 Q CB -0.195 28.583 28.738 0.067 0.000 0.997 487 Q HN 0.173 nan 8.270 nan 0.000 0.497 488 A N 0.989 123.852 122.820 0.071 0.000 2.366 488 A HA 0.105 4.426 4.320 0.002 0.000 0.272 488 A C 0.873 178.510 177.584 0.089 0.000 1.135 488 A CA -0.272 51.808 52.037 0.071 0.000 0.804 488 A CB 0.469 19.510 19.000 0.068 0.000 1.064 488 A HN 0.168 nan 8.150 nan 0.000 0.499 489 E N 0.929 121.181 120.200 0.088 0.000 2.130 489 E HA -0.295 4.056 4.350 0.002 0.000 0.196 489 E C 1.763 178.436 176.600 0.123 0.000 0.998 489 E CA 1.831 58.306 56.400 0.126 0.000 0.806 489 E CB 0.036 29.801 29.700 0.108 0.000 0.738 489 E HN 0.841 nan 8.360 nan 0.000 0.459 490 Q N 0.226 120.072 119.800 0.077 0.000 2.135 490 Q HA -0.137 4.204 4.340 0.002 0.000 0.204 490 Q C 1.930 177.957 176.000 0.045 0.000 0.981 490 Q CA 1.962 57.794 55.803 0.048 0.000 0.856 490 Q CB -0.250 28.513 28.738 0.042 0.000 0.902 490 Q HN 0.158 nan 8.270 nan 0.000 0.425 491 T N 0.182 114.784 114.554 0.080 0.000 2.821 491 T HA -0.104 4.247 4.350 0.002 0.000 0.267 491 T C 1.212 175.958 174.700 0.076 0.000 1.046 491 T CA 1.149 63.311 62.100 0.103 0.000 1.139 491 T CB -0.443 68.512 68.868 0.144 0.000 0.871 491 T HN 0.381 nan 8.240 nan 0.000 0.454 492 F N 2.027 121.860 119.950 -0.196 0.000 2.084 492 F HA 0.057 4.585 4.527 0.002 0.000 0.296 492 F C 1.893 177.494 175.800 -0.331 0.000 1.111 492 F CA 0.952 58.591 58.000 -0.602 0.000 1.224 492 F CB -0.754 37.908 39.000 -0.563 0.000 0.991 492 F HN 0.022 nan 8.300 nan 0.000 0.471 493 L N 0.350 121.347 121.223 -0.377 0.000 2.079 493 L HA -0.288 4.053 4.340 0.002 0.000 0.210 493 L C 2.294 179.039 176.870 -0.208 0.000 1.081 493 L CA 1.394 56.016 54.840 -0.362 0.000 0.752 493 L CB -1.055 40.914 42.059 -0.151 0.000 0.896 493 L HN 0.193 nan 8.230 nan 0.000 0.433 494 N N -0.032 118.607 118.700 -0.102 0.000 2.091 494 N HA -0.182 4.559 4.740 0.002 0.000 0.193 494 N C 1.827 177.333 175.510 -0.008 0.000 1.021 494 N CA 1.794 54.828 53.050 -0.027 0.000 0.862 494 N CB -0.299 38.200 38.487 0.020 0.000 1.018 494 N HN 0.190 nan 8.380 nan 0.000 0.429 495 S N 0.169 115.849 115.700 -0.033 0.000 2.603 495 S HA 0.074 4.545 4.470 0.002 0.000 0.220 495 S C 0.387 175.051 174.600 0.107 0.000 0.967 495 S CA 0.107 58.362 58.200 0.091 0.000 0.920 495 S CB 0.281 63.557 63.200 0.128 0.000 0.773 495 S HN 0.182 nan 8.310 nan 0.000 0.529 496 K N 2.083 122.449 120.400 -0.056 0.000 2.401 496 K HA 0.158 4.479 4.320 0.002 0.000 0.278 496 K C 0.012 176.643 176.600 0.052 0.000 1.018 496 K CA 0.031 56.304 56.287 -0.024 0.000 0.981 496 K CB 0.452 32.881 32.500 -0.119 0.000 0.933 496 K HN 0.283 nan 8.250 nan 0.000 0.477 497 L N 2.663 123.933 121.223 0.078 0.000 2.456 497 L HA -0.014 4.327 4.340 0.002 0.000 0.272 497 L C 0.964 177.815 176.870 -0.032 0.000 1.189 497 L CA -0.056 54.770 54.840 -0.023 0.000 0.846 497 L CB 0.036 41.960 42.059 -0.225 0.000 1.111 497 L HN 0.519 nan 8.230 nan 0.000 0.475 498 N N 2.105 120.790 118.700 -0.024 0.000 2.546 498 N HA 0.070 4.811 4.740 0.002 0.000 0.238 498 N C 0.241 175.641 175.510 -0.183 0.000 0.984 498 N CA -0.319 52.711 53.050 -0.035 0.000 0.935 498 N CB 0.658 39.136 38.487 -0.014 0.000 1.122 498 N HN 0.473 nan 8.380 nan 0.000 0.510 499 W N 2.877 124.067 121.300 -0.183 0.000 2.436 499 W HA 0.060 4.721 4.660 0.002 0.000 0.284 499 W C 2.159 178.359 176.519 -0.533 0.000 1.225 499 W CA 1.086 58.169 57.345 -0.438 0.000 1.271 499 W CB -0.057 29.186 29.460 -0.362 0.000 1.114 499 W HN 0.731 nan 8.180 nan 0.000 0.559 500 A N 0.935 123.678 122.820 -0.129 0.000 1.972 500 A HA -0.244 4.077 4.320 0.002 0.000 0.219 500 A C 1.864 179.310 177.584 -0.231 0.000 1.169 500 A CA 1.848 53.794 52.037 -0.151 0.000 0.635 500 A CB -0.925 18.029 19.000 -0.076 0.000 0.810 500 A HN 0.545 nan 8.150 nan 0.000 0.446 501 E N 0.754 120.764 120.200 -0.315 0.000 2.268 501 E HA -0.254 4.097 4.350 0.002 0.000 0.195 501 E C 1.905 178.269 176.600 -0.393 0.000 0.995 501 E CA 0.996 57.209 56.400 -0.313 0.000 0.836 501 E CB -0.493 28.970 29.700 -0.395 0.000 0.763 501 E HN 0.778 nan 8.360 nan 0.000 0.491 502 R N 1.233 121.297 120.500 -0.726 0.000 2.241 502 R HA -0.092 4.249 4.340 0.002 0.000 0.224 502 R C 1.371 177.556 176.300 -0.192 0.000 1.101 502 R CA 1.466 57.194 56.100 -0.620 0.000 0.995 502 R CB -0.264 29.346 30.300 -1.150 0.000 0.870 502 R HN 0.240 nan 8.270 nan 0.000 0.463 503 E N 0.771 120.871 120.200 -0.166 0.000 2.418 503 E HA 0.035 4.386 4.350 0.002 0.000 0.197 503 E C 0.477 177.081 176.600 0.006 0.000 1.026 503 E CA 0.652 57.017 56.400 -0.059 0.000 0.862 503 E CB 0.359 30.020 29.700 -0.066 0.000 0.799 503 E HN 0.548 nan 8.360 nan 0.000 0.518 504 G N -0.847 107.978 108.800 0.042 0.000 2.605 504 G HA2 0.508 4.469 3.960 0.002 0.000 0.296 504 G HA3 0.508 4.469 3.960 0.002 0.000 0.296 504 G C 0.190 175.157 174.900 0.112 0.000 1.304 504 G CA -0.312 44.832 45.100 0.074 0.000 0.941 504 G HN 0.176 nan 8.290 nan 0.000 0.475 505 G N 0.411 109.255 108.800 0.072 0.000 2.596 505 G HA2 -0.283 3.678 3.960 0.002 0.000 0.295 505 G HA3 -0.283 3.678 3.960 0.002 0.000 0.295 505 G C 0.969 175.889 174.900 0.033 0.000 1.240 505 G CA 0.714 45.841 45.100 0.044 0.000 0.985 505 G HN 0.691 nan 8.290 nan 0.000 0.555 506 E N 0.401 120.573 120.200 -0.047 0.000 2.208 506 E HA -0.058 4.292 4.350 0.002 0.000 0.193 506 E C 2.139 178.734 176.600 -0.008 0.000 0.988 506 E CA 1.297 57.670 56.400 -0.045 0.000 0.828 506 E CB -0.336 29.305 29.700 -0.098 0.000 0.763 506 E HN 0.664 nan 8.360 nan 0.000 0.478 507 H N 0.448 119.592 119.070 0.124 0.000 2.321 507 H HA -0.022 4.535 4.556 0.002 0.000 0.300 507 H C 2.030 177.460 175.328 0.171 0.000 1.087 507 H CA 1.463 57.618 56.048 0.178 0.000 1.319 507 H CB -0.296 29.567 29.762 0.168 0.000 1.379 507 H HN 0.174 nan 8.280 nan 0.000 0.501 508 A N 1.213 124.168 122.820 0.224 0.000 1.898 508 A HA -0.163 4.158 4.320 0.002 0.000 0.216 508 A C 2.529 180.210 177.584 0.163 0.000 1.181 508 A CA 1.361 53.496 52.037 0.162 0.000 0.620 508 A CB -0.491 18.572 19.000 0.105 0.000 0.819 508 A HN 0.261 nan 8.150 nan 0.000 0.442 509 R N -0.935 119.651 120.500 0.142 0.000 2.081 509 R HA -0.112 4.229 4.340 0.002 0.000 0.235 509 R C 2.203 178.610 176.300 0.179 0.000 1.131 509 R CA 1.946 58.127 56.100 0.135 0.000 0.960 509 R CB -0.456 29.910 30.300 0.110 0.000 0.856 509 R HN 0.544 nan 8.270 nan 0.000 0.436 510 T N 1.413 116.100 114.554 0.222 0.000 2.777 510 T HA -0.144 4.207 4.350 0.002 0.000 0.266 510 T C 1.604 176.525 174.700 0.368 0.000 1.040 510 T CA 1.074 63.358 62.100 0.305 0.000 1.141 510 T CB -0.207 68.853 68.868 0.320 0.000 0.868 510 T HN 0.110 nan 8.240 nan 0.000 0.444 511 L N 1.558 122.974 121.223 0.321 0.000 2.042 511 L HA 0.003 4.344 4.340 0.002 0.000 0.210 511 L C 2.489 179.525 176.870 0.276 0.000 1.076 511 L CA 1.766 56.800 54.840 0.324 0.000 0.749 511 L CB -0.603 41.651 42.059 0.324 0.000 0.893 511 L HN 0.084 nan 8.230 nan 0.000 0.432 512 R N -0.969 119.657 120.500 0.210 0.000 2.081 512 R HA -0.199 4.142 4.340 0.002 0.000 0.235 512 R C 2.275 178.661 176.300 0.143 0.000 1.131 512 R CA 1.883 58.075 56.100 0.154 0.000 0.960 512 R CB -0.440 29.930 30.300 0.117 0.000 0.856 512 R HN 0.429 nan 8.270 nan 0.000 0.436 513 L N -0.011 121.308 121.223 0.161 0.000 2.027 513 L HA -0.141 4.200 4.340 0.002 0.000 0.206 513 L C 1.724 178.630 176.870 0.060 0.000 1.074 513 L CA 1.729 56.623 54.840 0.090 0.000 0.745 513 L CB -0.743 41.360 42.059 0.073 0.000 0.898 513 L HN 0.153 nan 8.230 nan 0.000 0.433 514 Y N 0.224 120.556 120.300 0.054 0.000 2.165 514 Y HA -0.237 4.314 4.550 0.002 0.000 0.286 514 Y C 2.771 178.694 175.900 0.039 0.000 1.155 514 Y CA 1.951 60.079 58.100 0.047 0.000 1.164 514 Y CB -0.305 38.210 38.460 0.092 0.000 0.978 514 Y HN 0.166 nan 8.280 nan 0.000 0.513 515 R N -0.174 120.449 120.500 0.205 0.000 2.091 515 R HA -0.179 4.162 4.340 0.002 0.000 0.238 515 R C 1.680 178.014 176.300 0.057 0.000 1.136 515 R CA 1.671 57.838 56.100 0.111 0.000 0.959 515 R CB -0.401 29.958 30.300 0.099 0.000 0.856 515 R HN 0.349 nan 8.270 nan 0.000 0.437 516 D N 0.674 121.100 120.400 0.045 0.000 2.117 516 D HA -0.102 4.539 4.640 0.002 0.000 0.198 516 D C 2.034 178.323 176.300 -0.018 0.000 0.982 516 D CA 0.949 54.957 54.000 0.014 0.000 0.828 516 D CB -0.146 40.662 40.800 0.012 0.000 0.967 516 D HN 0.149 nan 8.370 nan 0.000 0.464 517 L N 0.199 121.390 121.223 -0.053 0.000 2.017 517 L HA -0.137 4.204 4.340 0.002 0.000 0.208 517 L C 2.522 179.357 176.870 -0.058 0.000 1.073 517 L CA 0.720 55.502 54.840 -0.097 0.000 0.745 517 L CB -0.310 41.623 42.059 -0.210 0.000 0.894 517 L HN 0.031 nan 8.230 nan 0.000 0.432 518 L N -0.733 120.476 121.223 -0.023 0.000 2.141 518 L HA -0.187 4.154 4.340 0.002 0.000 0.209 518 L C 2.789 179.662 176.870 0.004 0.000 1.094 518 L CA 0.983 55.824 54.840 0.001 0.000 0.763 518 L CB -0.453 41.629 42.059 0.037 0.000 0.908 518 L HN 0.239 nan 8.230 nan 0.000 0.437 519 R N 0.557 121.061 120.500 0.007 0.000 2.075 519 R HA -0.152 4.189 4.340 0.002 0.000 0.232 519 R C 2.342 178.646 176.300 0.006 0.000 1.126 519 R CA 1.322 57.429 56.100 0.011 0.000 0.963 519 R CB -0.206 30.102 30.300 0.012 0.000 0.858 519 R HN 0.273 nan 8.270 nan 0.000 0.435 520 L N 0.409 121.626 121.223 -0.009 0.000 2.046 520 L HA -0.180 4.161 4.340 0.002 0.000 0.208 520 L C 2.920 179.781 176.870 -0.015 0.000 1.077 520 L CA 1.564 56.391 54.840 -0.021 0.000 0.747 520 L CB -0.427 41.610 42.059 -0.037 0.000 0.896 520 L HN 0.273 nan 8.230 nan 0.000 0.432 521 R N 0.132 120.627 120.500 -0.010 0.000 2.083 521 R HA -0.242 4.099 4.340 0.002 0.000 0.237 521 R C 2.484 178.831 176.300 0.078 0.000 1.137 521 R CA 1.932 58.039 56.100 0.011 0.000 0.951 521 R CB -0.205 30.088 30.300 -0.012 0.000 0.851 521 R HN 0.230 nan 8.270 nan 0.000 0.434 522 R N 0.228 120.768 120.500 0.067 0.000 2.075 522 R HA -0.118 4.223 4.340 0.002 0.000 0.232 522 R C 1.487 177.922 176.300 0.224 0.000 1.126 522 R CA 1.939 58.100 56.100 0.102 0.000 0.963 522 R CB 0.061 30.390 30.300 0.048 0.000 0.858 522 R HN 0.371 nan 8.270 nan 0.000 0.435 523 E N -0.264 120.009 120.200 0.120 0.000 2.307 523 E HA -0.027 4.324 4.350 0.002 0.000 0.195 523 E C -0.204 176.350 176.600 -0.077 0.000 0.975 523 E CA -0.152 56.294 56.400 0.077 0.000 0.878 523 E CB 0.251 29.965 29.700 0.024 0.000 0.845 523 E HN 0.262 nan 8.360 nan 0.000 0.488 524 D N 1.899 122.200 120.400 -0.164 0.000 2.339 524 D HA 0.002 4.643 4.640 0.002 0.000 0.256 524 D C -1.589 174.337 176.300 -0.623 0.000 1.214 524 D CA -1.848 51.992 54.000 -0.266 0.000 0.877 524 D CB 1.430 42.137 40.800 -0.155 0.000 1.111 524 D HN -0.074 nan 8.370 nan 0.000 0.478 525 P HA -0.107 nan 4.420 nan 0.000 0.221 525 P C 1.481 178.584 177.300 -0.328 0.000 1.150 525 P CA 0.397 63.166 63.100 -0.552 0.000 0.800 525 P CB 0.533 32.107 31.700 -0.210 0.000 0.787 526 V N 0.183 119.964 119.914 -0.222 0.000 2.535 526 V HA -0.099 4.022 4.120 0.002 0.000 0.246 526 V C 2.639 178.677 176.094 -0.094 0.000 1.045 526 V CA 1.084 63.312 62.300 -0.119 0.000 1.058 526 V CB -1.052 30.717 31.823 -0.090 0.000 0.689 526 V HN 0.004 nan 8.190 nan 0.000 0.461 527 L N -0.378 120.772 121.223 -0.122 0.000 2.353 527 L HA -0.152 4.189 4.340 0.002 0.000 0.220 527 L C 2.298 179.189 176.870 0.036 0.000 1.133 527 L CA 1.299 56.106 54.840 -0.055 0.000 0.798 527 L CB -0.871 41.154 42.059 -0.056 0.000 0.922 527 L HN 0.508 nan 8.230 nan 0.000 0.445 528 H N -0.729 118.315 119.070 -0.043 0.000 2.518 528 H HA -0.102 4.455 4.556 0.002 0.000 0.289 528 H C 1.043 176.342 175.328 -0.048 0.000 1.051 528 H CA -0.305 55.716 56.048 -0.044 0.000 1.280 528 H CB -0.051 29.688 29.762 -0.038 0.000 1.380 528 H HN 0.312 nan 8.280 nan 0.000 0.566 529 N N 1.374 120.114 118.700 0.065 0.000 2.292 529 N HA -0.138 4.603 4.740 0.002 0.000 0.258 529 N C 0.321 175.824 175.510 -0.012 0.000 1.261 529 N CA 0.398 53.455 53.050 0.011 0.000 0.845 529 N CB 0.509 38.986 38.487 -0.017 0.000 1.064 529 N HN 0.122 nan 8.380 nan 0.000 0.471 530 R N 2.014 122.501 120.500 -0.023 0.000 2.616 530 R HA 0.157 4.498 4.340 0.002 0.000 0.427 530 R C -0.563 175.713 176.300 -0.040 0.000 1.030 530 R CA -0.128 55.948 56.100 -0.039 0.000 1.133 530 R CB 0.164 30.439 30.300 -0.040 0.000 1.444 530 R HN 0.691 nan 8.270 nan 0.000 0.578 531 Q N 0.078 119.855 119.800 -0.038 0.000 2.331 531 Q HA 0.395 4.736 4.340 0.002 0.000 0.267 531 Q C 0.646 176.617 176.000 -0.047 0.000 1.006 531 Q CA -0.402 55.379 55.803 -0.037 0.000 0.818 531 Q CB 2.381 31.101 28.738 -0.030 0.000 1.276 531 Q HN -0.099 nan 8.270 nan 0.000 0.450 532 R N 1.357 121.826 120.500 -0.051 0.000 2.152 532 R HA -0.198 4.143 4.340 0.002 0.000 0.232 532 R C 1.667 177.935 176.300 -0.054 0.000 1.117 532 R CA 1.219 57.278 56.100 -0.069 0.000 0.981 532 R CB 0.169 30.423 30.300 -0.077 0.000 0.870 532 R HN 0.721 nan 8.270 nan 0.000 0.451 533 E N 0.926 121.103 120.200 -0.039 0.000 2.209 533 E HA -0.190 4.161 4.350 0.002 0.000 0.196 533 E C 0.800 177.382 176.600 -0.030 0.000 0.993 533 E CA 1.131 57.513 56.400 -0.030 0.000 0.819 533 E CB 0.126 29.811 29.700 -0.024 0.000 0.745 533 E HN 0.272 nan 8.360 nan 0.000 0.477 534 N N 0.138 118.817 118.700 -0.035 0.000 2.280 534 N HA 0.069 4.810 4.740 0.002 0.000 0.192 534 N C -0.567 174.921 175.510 -0.036 0.000 1.109 534 N CA 0.074 53.103 53.050 -0.036 0.000 0.855 534 N CB 0.516 38.981 38.487 -0.037 0.000 0.974 534 N HN 0.126 nan 8.380 nan 0.000 0.482 535 L N 1.152 122.354 121.223 -0.035 0.000 2.313 535 L HA 0.454 4.795 4.340 0.002 0.000 0.283 535 L C -0.122 176.745 176.870 -0.006 0.000 1.013 535 L CA -0.248 54.576 54.840 -0.026 0.000 0.816 535 L CB 1.396 43.422 42.059 -0.055 0.000 1.236 535 L HN 0.028 nan 8.230 nan 0.000 0.419 536 T N 0.310 114.895 114.554 0.053 0.000 2.916 536 T HA 0.916 5.267 4.350 0.002 0.000 0.292 536 T C -0.263 174.471 174.700 0.057 0.000 1.055 536 T CA -0.270 61.886 62.100 0.094 0.000 1.009 536 T CB 1.825 70.824 68.868 0.218 0.000 1.118 536 T HN 0.729 nan 8.240 nan 0.000 0.497 537 T N -2.026 112.385 114.554 -0.238 0.000 2.864 537 T HA 0.921 5.272 4.350 0.002 0.000 0.299 537 T C -0.017 173.898 174.700 -1.308 0.000 1.166 537 T CA -0.311 61.369 62.100 -0.700 0.000 1.007 537 T CB 1.638 70.309 68.868 -0.329 0.000 1.219 537 T HN 1.535 nan 8.240 nan 0.000 0.506 538 G N 0.261 107.965 108.800 -1.825 0.000 2.427 538 G HA2 0.655 4.616 3.960 0.002 0.000 0.306 538 G HA3 0.655 4.616 3.960 0.002 0.000 0.306 538 G C -1.671 172.739 174.900 -0.818 0.000 1.280 538 G CA -0.362 44.039 45.100 -1.165 0.000 0.837 538 G HN 1.547 nan 8.290 nan 0.000 0.482 539 H N -1.756 117.138 119.070 -0.293 0.000 3.037 539 H HA 0.737 5.294 4.556 0.002 0.000 0.355 539 H C -2.159 173.274 175.328 0.175 0.000 1.263 539 H CA -0.793 55.239 56.048 -0.027 0.000 1.129 539 H CB 2.681 32.409 29.762 -0.057 0.000 1.861 539 H HN 0.528 nan 8.280 nan 0.000 0.546 540 D N 1.571 122.043 120.400 0.119 0.000 2.421 540 D HA 0.399 5.040 4.640 0.002 0.000 0.254 540 D C 1.091 177.455 176.300 0.107 0.000 1.238 540 D CA 0.923 54.939 54.000 0.026 0.000 0.919 540 D CB 0.853 41.689 40.800 0.059 0.000 1.152 540 D HN 1.131 nan 8.370 nan 0.000 0.552 541 G N 4.490 113.380 108.800 0.149 0.000 2.602 541 G HA2 -0.329 3.632 3.960 0.002 0.000 0.310 541 G HA3 -0.329 3.632 3.960 0.002 0.000 0.310 541 G C 0.562 175.544 174.900 0.136 0.000 1.183 541 G CA 0.498 45.679 45.100 0.135 0.000 0.979 541 G HN 0.554 nan 8.290 nan 0.000 0.545 542 D N 0.671 121.102 120.400 0.052 0.000 2.340 542 D HA 0.308 4.949 4.640 0.002 0.000 0.217 542 D C 0.648 176.936 176.300 -0.021 0.000 1.081 542 D CA 0.324 54.316 54.000 -0.013 0.000 0.842 542 D CB 0.670 41.438 40.800 -0.053 0.000 0.934 542 D HN 0.286 nan 8.370 nan 0.000 0.511 543 V N 2.355 122.303 119.914 0.057 0.000 2.385 543 V HA 0.154 4.275 4.120 0.002 0.000 0.269 543 V C 0.151 176.339 176.094 0.156 0.000 1.043 543 V CA -0.839 61.517 62.300 0.094 0.000 0.906 543 V CB 1.418 33.318 31.823 0.129 0.000 0.995 543 V HN -0.001 nan 8.190 nan 0.000 0.467 544 L N 7.581 128.882 121.223 0.130 0.000 2.326 544 L HA 0.564 4.905 4.340 0.002 0.000 0.278 544 L C -0.408 176.626 176.870 0.274 0.000 1.092 544 L CA 0.011 54.935 54.840 0.140 0.000 0.810 544 L CB 0.751 42.889 42.059 0.132 0.000 1.153 544 L HN 0.777 nan 8.230 nan 0.000 0.439 545 W N 4.771 126.178 121.300 0.179 0.000 2.844 545 W HA 0.755 5.416 4.660 0.002 0.000 0.340 545 W C -2.055 174.569 176.519 0.176 0.000 1.093 545 W CA -1.173 56.283 57.345 0.184 0.000 1.212 545 W CB 0.990 30.574 29.460 0.206 0.000 1.422 545 W HN 0.327 nan 8.180 nan 0.000 0.515 546 V N 3.734 123.947 119.914 0.499 0.000 2.524 546 V HA 0.426 4.547 4.120 0.002 0.000 0.297 546 V C -0.253 176.047 176.094 0.345 0.000 1.035 546 V CA -0.765 61.726 62.300 0.318 0.000 0.867 546 V CB 1.485 33.406 31.823 0.163 0.000 1.004 546 V HN 0.669 nan 8.190 nan 0.000 0.426 547 R N 2.516 123.230 120.500 0.358 0.000 2.514 547 R HA 0.758 5.099 4.340 0.002 0.000 0.301 547 R C -0.929 175.380 176.300 0.016 0.000 0.962 547 R CA -0.244 55.925 56.100 0.114 0.000 0.882 547 R CB 1.849 32.090 30.300 -0.098 0.000 1.143 547 R HN 0.721 nan 8.270 nan 0.000 0.452 548 T N 3.246 117.775 114.554 -0.042 0.000 2.812 548 T HA 0.414 4.765 4.350 0.002 0.000 0.282 548 T C -1.141 173.508 174.700 -0.085 0.000 0.990 548 T CA -0.510 61.559 62.100 -0.052 0.000 0.960 548 T CB 1.678 70.522 68.868 -0.039 0.000 0.948 548 T HN 0.265 nan 8.240 nan 0.000 0.438 549 V N 3.891 123.756 119.914 -0.082 0.000 2.482 549 V HA 0.722 4.843 4.120 0.002 0.000 0.295 549 V C 0.256 176.314 176.094 -0.059 0.000 1.026 549 V CA -0.770 61.479 62.300 -0.085 0.000 0.856 549 V CB 1.675 33.435 31.823 -0.106 0.000 1.001 549 V HN 1.123 nan 8.190 nan 0.000 0.424 550 T N 0.764 115.287 114.554 -0.052 0.000 2.831 550 T HA 0.565 4.916 4.350 0.002 0.000 0.287 550 T C 1.251 175.930 174.700 -0.035 0.000 1.070 550 T CA 0.088 62.165 62.100 -0.038 0.000 1.010 550 T CB 1.733 70.582 68.868 -0.032 0.000 1.264 550 T HN 0.679 nan 8.240 nan 0.000 0.532 551 G N -0.385 108.399 108.800 -0.027 0.000 2.498 551 G HA2 0.143 4.104 3.960 0.002 0.000 0.219 551 G HA3 0.143 4.104 3.960 0.002 0.000 0.219 551 G C 1.361 176.246 174.900 -0.026 0.000 1.119 551 G CA 0.657 45.743 45.100 -0.024 0.000 0.766 551 G HN 1.144 nan 8.290 nan 0.000 0.552 552 A N -0.797 122.005 122.820 -0.031 0.000 2.178 552 A HA 0.583 4.904 4.320 0.002 0.000 0.211 552 A C 1.356 178.913 177.584 -0.045 0.000 1.157 552 A CA 1.428 53.442 52.037 -0.038 0.000 0.780 552 A CB -0.117 18.855 19.000 -0.047 0.000 0.828 552 A HN 1.554 nan 8.150 nan 0.000 0.476 553 G N -1.289 107.483 108.800 -0.046 0.000 2.302 553 G HA2 0.292 4.253 3.960 0.002 0.000 0.276 553 G HA3 0.292 4.253 3.960 0.002 0.000 0.276 553 G C -1.151 173.714 174.900 -0.058 0.000 1.316 553 G CA -0.150 44.921 45.100 -0.048 0.000 0.988 553 G HN 0.467 nan 8.290 nan 0.000 0.479 554 E N -0.187 119.978 120.200 -0.059 0.000 2.314 554 E HA 0.679 5.030 4.350 0.002 0.000 0.272 554 E C -0.811 175.753 176.600 -0.060 0.000 0.884 554 E CA -0.972 55.383 56.400 -0.075 0.000 0.753 554 E CB 1.371 31.011 29.700 -0.100 0.000 1.213 554 E HN 0.467 nan 8.360 nan 0.000 0.432 555 R N 1.963 122.427 120.500 -0.060 0.000 2.686 555 R HA 0.568 4.909 4.340 0.002 0.000 0.286 555 R C -1.208 175.085 176.300 -0.010 0.000 0.969 555 R CA -0.951 55.131 56.100 -0.031 0.000 0.898 555 R CB 2.010 32.291 30.300 -0.031 0.000 1.183 555 R HN 0.322 nan 8.270 nan 0.000 0.456 556 V N 3.411 123.347 119.914 0.037 0.000 2.531 556 V HA 0.365 4.486 4.120 0.002 0.000 0.301 556 V C -0.581 175.583 176.094 0.118 0.000 1.034 556 V CA -0.945 61.422 62.300 0.112 0.000 0.865 556 V CB 2.127 34.060 31.823 0.183 0.000 0.995 556 V HN 0.537 nan 8.190 nan 0.000 0.424 557 L N 6.348 127.660 121.223 0.148 0.000 2.264 557 L HA 0.652 4.993 4.340 0.002 0.000 0.289 557 L C -0.918 176.078 176.870 0.211 0.000 1.044 557 L CA 0.200 55.114 54.840 0.124 0.000 0.807 557 L CB 0.925 43.034 42.059 0.084 0.000 1.192 557 L HN 0.546 nan 8.230 nan 0.000 0.425 558 L N 5.545 126.874 121.223 0.177 0.000 2.322 558 L HA 0.472 4.813 4.340 0.002 0.000 0.281 558 L C -1.219 175.804 176.870 0.255 0.000 1.014 558 L CA -0.092 54.889 54.840 0.234 0.000 0.815 558 L CB 1.558 43.727 42.059 0.183 0.000 1.247 558 L HN 0.607 nan 8.230 nan 0.000 0.421 559 W N 4.133 125.473 121.300 0.067 0.000 2.554 559 W HA 0.378 5.039 4.660 0.001 0.000 0.324 559 W C -0.410 176.134 176.519 0.042 0.000 1.018 559 W CA -1.354 56.009 57.345 0.030 0.000 1.243 559 W CB 1.285 30.760 29.460 0.025 0.000 1.345 559 W HN 0.444 nan 8.180 nan 0.000 0.441 560 N N 5.515 124.341 118.700 0.209 0.000 2.448 560 N HA 0.043 4.784 4.740 0.002 0.000 0.250 560 N C 0.550 175.944 175.510 -0.195 0.000 1.136 560 N CA 0.107 53.170 53.050 0.021 0.000 0.953 560 N CB 0.642 39.179 38.487 0.084 0.000 1.251 560 N HN 0.411 nan 8.380 nan 0.000 0.502 561 L N 1.766 122.770 121.223 -0.366 0.000 2.478 561 L HA 0.221 4.562 4.340 0.002 0.000 0.223 561 L C 1.479 178.214 176.870 -0.225 0.000 1.140 561 L CA 0.402 54.955 54.840 -0.478 0.000 0.842 561 L CB -1.584 40.145 42.059 -0.550 0.000 0.953 561 L HN 0.493 nan 8.230 nan 0.000 0.452 562 G N -0.876 107.849 108.800 -0.124 0.000 2.653 562 G HA2 0.173 4.134 3.960 0.002 0.000 0.265 562 G HA3 0.173 4.134 3.960 0.002 0.000 0.265 562 G C 0.626 175.506 174.900 -0.033 0.000 1.237 562 G CA -0.264 44.798 45.100 -0.064 0.000 0.946 562 G HN 0.172 nan 8.290 nan 0.000 0.522 563 Q N -0.395 119.394 119.800 -0.018 0.000 2.356 563 Q HA 0.101 4.442 4.340 0.002 0.000 0.205 563 Q C 0.222 176.231 176.000 0.014 0.000 0.901 563 Q CA 0.295 56.097 55.803 -0.002 0.000 0.938 563 Q CB 0.422 29.154 28.738 -0.009 0.000 1.081 563 Q HN 0.782 nan 8.270 nan 0.000 0.517 564 D N -0.596 119.814 120.400 0.017 0.000 2.592 564 D HA 0.252 4.893 4.640 0.002 0.000 0.259 564 D C -0.362 175.963 176.300 0.042 0.000 1.144 564 D CA -0.669 53.347 54.000 0.026 0.000 1.080 564 D CB 0.461 41.272 40.800 0.018 0.000 1.225 564 D HN -0.345 nan 8.370 nan 0.000 0.619 565 T N 0.432 115.013 114.554 0.045 0.000 2.845 565 T HA 0.512 4.863 4.350 0.002 0.000 0.288 565 T C -0.070 174.660 174.700 0.050 0.000 0.980 565 T CA -0.692 61.443 62.100 0.058 0.000 1.071 565 T CB 0.701 69.604 68.868 0.057 0.000 0.941 565 T HN 0.135 nan 8.240 nan 0.000 0.487 566 R N 1.611 122.147 120.500 0.060 0.000 2.513 566 R HA 0.620 4.960 4.340 0.002 0.000 0.301 566 R C -0.648 175.687 176.300 0.058 0.000 0.968 566 R CA -0.702 55.429 56.100 0.052 0.000 0.872 566 R CB 1.885 32.216 30.300 0.052 0.000 1.177 566 R HN 0.734 nan 8.270 nan 0.000 0.444 567 A N 2.505 125.350 122.820 0.043 0.000 2.363 567 A HA 0.255 4.575 4.320 0.002 0.000 0.270 567 A C 1.343 178.947 177.584 0.034 0.000 1.121 567 A CA -0.492 51.570 52.037 0.041 0.000 0.800 567 A CB 0.620 19.636 19.000 0.027 0.000 1.052 567 A HN 0.532 nan 8.150 nan 0.000 0.493 568 V N 2.718 122.656 119.914 0.040 0.000 2.392 568 V HA -0.308 3.813 4.120 0.002 0.000 0.249 568 V C 2.895 178.986 176.094 -0.006 0.000 1.059 568 V CA 2.623 64.939 62.300 0.027 0.000 1.051 568 V CB -1.225 30.620 31.823 0.037 0.000 0.658 568 V HN 1.009 nan 8.190 nan 0.000 0.455 569 A N -0.387 122.431 122.820 -0.005 0.000 2.024 569 A HA -0.226 4.095 4.320 0.002 0.000 0.220 569 A C 2.006 179.571 177.584 -0.032 0.000 1.164 569 A CA 1.789 53.813 52.037 -0.022 0.000 0.643 569 A CB -0.373 18.620 19.000 -0.012 0.000 0.806 569 A HN 0.676 nan 8.150 nan 0.000 0.451 570 E N -0.589 119.599 120.200 -0.019 0.000 2.474 570 E HA 0.175 4.525 4.350 0.002 0.000 0.195 570 E C -0.637 175.945 176.600 -0.029 0.000 1.039 570 E CA -0.364 56.022 56.400 -0.022 0.000 0.881 570 E CB 0.517 30.213 29.700 -0.007 0.000 0.970 570 E HN 0.318 nan 8.360 nan 0.000 0.486 571 V N 2.590 122.481 119.914 -0.038 0.000 2.455 571 V HA 0.044 4.165 4.120 0.002 0.000 0.273 571 V C 0.335 176.366 176.094 -0.105 0.000 1.045 571 V CA -0.227 62.047 62.300 -0.043 0.000 0.976 571 V CB 0.777 32.589 31.823 -0.019 0.000 0.993 571 V HN 0.086 nan 8.190 nan 0.000 0.475 572 K N 6.162 126.508 120.400 -0.090 0.000 2.349 572 K HA 0.520 4.841 4.320 0.002 0.000 0.289 572 K C -0.840 175.634 176.600 -0.210 0.000 1.064 572 K CA -0.006 56.203 56.287 -0.129 0.000 0.947 572 K CB 0.481 32.934 32.500 -0.079 0.000 1.007 572 K HN 0.509 nan 8.250 nan 0.000 0.478 573 L N 4.707 125.704 121.223 -0.377 0.000 2.401 573 L HA 0.355 4.696 4.340 0.002 0.000 0.266 573 L C -1.644 174.869 176.870 -0.596 0.000 0.991 573 L CA -1.905 52.501 54.840 -0.724 0.000 0.818 573 L CB 2.236 43.517 42.059 -1.298 0.000 1.321 573 L HN 0.512 nan 8.230 nan 0.000 0.413 574 P HA 0.099 nan 4.420 nan 0.000 0.255 574 P C -0.854 176.410 177.300 -0.061 0.000 1.427 574 P CA 0.351 63.361 63.100 -0.150 0.000 0.863 574 P CB -0.362 31.383 31.700 0.076 0.000 1.444 575 F N -4.144 115.677 119.950 -0.215 0.000 2.711 575 F HA 0.548 5.076 4.527 0.002 0.000 0.313 575 F C -0.640 175.057 175.800 -0.171 0.000 1.141 575 F CA -1.367 56.525 58.000 -0.179 0.000 0.941 575 F CB 0.189 39.063 39.000 -0.210 0.000 1.349 575 F HN -0.512 nan 8.300 nan 0.000 0.464 576 T N 2.255 116.846 114.554 0.063 0.000 2.761 576 T HA 0.306 4.657 4.350 0.002 0.000 0.296 576 T C -0.185 174.559 174.700 0.073 0.000 0.934 576 T CA -0.276 61.814 62.100 -0.018 0.000 1.091 576 T CB 0.982 69.858 68.868 0.013 0.000 0.896 576 T HN 0.707 nan 8.240 nan 0.000 0.515 577 V N 7.260 127.127 119.914 -0.078 0.000 2.617 577 V HA 0.112 4.233 4.120 0.002 0.000 0.304 577 V C -1.848 174.281 176.094 0.057 0.000 1.040 577 V CA -1.465 60.843 62.300 0.015 0.000 1.149 577 V CB 0.471 32.246 31.823 -0.079 0.000 0.914 577 V HN 0.717 nan 8.190 nan 0.000 0.487 578 P HA 0.195 nan 4.420 nan 0.000 0.268 578 P C -0.058 177.259 177.300 0.028 0.000 1.208 578 P CA 0.105 63.230 63.100 0.043 0.000 0.777 578 P CB 0.391 32.112 31.700 0.036 0.000 0.875 579 R N 0.419 120.929 120.500 0.017 0.000 2.282 579 R HA 0.151 4.492 4.340 0.002 0.000 0.195 579 R C 0.904 177.213 176.300 0.015 0.000 0.909 579 R CA -0.110 55.998 56.100 0.013 0.000 1.039 579 R CB 0.181 30.485 30.300 0.007 0.000 1.015 579 R HN 0.332 nan 8.270 nan 0.000 0.513 580 R N 2.242 122.749 120.500 0.013 0.000 2.234 580 R HA 0.135 4.476 4.340 0.002 0.000 0.324 580 R C -0.441 175.870 176.300 0.018 0.000 1.054 580 R CA -0.333 55.774 56.100 0.012 0.000 0.912 580 R CB 0.579 30.882 30.300 0.004 0.000 1.030 580 R HN -0.006 nan 8.270 nan 0.000 0.455 581 L N 7.421 128.659 121.223 0.025 0.000 2.477 581 L HA 0.028 4.369 4.340 0.002 0.000 0.272 581 L C 0.067 176.952 176.870 0.024 0.000 1.157 581 L CA 0.661 55.522 54.840 0.036 0.000 0.889 581 L CB 0.553 42.641 42.059 0.049 0.000 1.158 581 L HN 0.947 nan 8.230 nan 0.000 0.473 582 L N 6.081 127.315 121.223 0.019 0.000 2.388 582 L HA 0.262 4.603 4.340 0.002 0.000 0.209 582 L C 0.288 177.164 176.870 0.010 0.000 1.061 582 L CA 0.296 55.140 54.840 0.007 0.000 0.834 582 L CB 0.269 42.324 42.059 -0.008 0.000 1.029 582 L HN 0.537 nan 8.230 nan 0.000 0.473 583 L N -1.052 120.180 121.223 0.016 0.000 2.505 583 L HA 0.482 4.823 4.340 0.002 0.000 0.259 583 L C -1.588 175.310 176.870 0.046 0.000 0.952 583 L CA -0.560 54.293 54.840 0.021 0.000 0.840 583 L CB 2.407 44.455 42.059 -0.019 0.000 1.358 583 L HN -0.090 nan 8.230 nan 0.000 0.409 584 H N 1.840 120.896 119.070 -0.023 0.000 2.609 584 H HA 0.280 4.837 4.556 0.002 0.000 0.344 584 H C 0.230 175.533 175.328 -0.042 0.000 1.040 584 H CA 0.339 56.373 56.048 -0.023 0.000 1.216 584 H CB 2.223 31.978 29.762 -0.011 0.000 1.529 584 H HN 0.864 nan 8.280 nan 0.000 0.519 585 T N 0.990 115.504 114.554 -0.068 0.000 2.977 585 T HA -0.072 4.279 4.350 0.002 0.000 0.271 585 T C 0.629 175.367 174.700 0.063 0.000 1.105 585 T CA 0.968 63.051 62.100 -0.028 0.000 1.116 585 T CB 0.217 69.008 68.868 -0.128 0.000 0.878 585 T HN 0.477 nan 8.240 nan 0.000 0.509 586 E N 0.610 120.966 120.200 0.261 0.000 2.558 586 E HA 0.322 4.672 4.350 0.002 0.000 0.205 586 E C 1.356 177.968 176.600 0.021 0.000 1.006 586 E CA 0.241 56.682 56.400 0.069 0.000 0.961 586 E CB 0.262 29.914 29.700 -0.080 0.000 1.044 586 E HN 0.625 nan 8.360 nan 0.000 0.465 587 G N 2.563 111.408 108.800 0.075 0.000 2.179 587 G HA2 -0.363 3.598 3.960 0.002 0.000 0.257 587 G HA3 -0.363 3.598 3.960 0.002 0.000 0.257 587 G C 0.306 175.124 174.900 -0.137 0.000 1.010 587 G CA 0.300 45.394 45.100 -0.009 0.000 0.736 587 G HN 0.202 nan 8.290 nan 0.000 0.513 588 R N -0.164 120.078 120.500 -0.431 0.000 2.694 588 R HA 0.299 4.640 4.340 0.002 0.000 0.268 588 R C 1.244 177.388 176.300 -0.260 0.000 1.061 588 R CA 0.342 56.152 56.100 -0.483 0.000 1.133 588 R CB 0.518 30.294 30.300 -0.873 0.000 1.020 588 R HN 0.506 nan 8.270 nan 0.000 0.475 589 E N 0.624 120.738 120.200 -0.143 0.000 2.230 589 E HA -0.044 4.307 4.350 0.002 0.000 0.192 589 E C -0.284 176.295 176.600 -0.035 0.000 0.987 589 E CA 0.648 57.011 56.400 -0.062 0.000 0.841 589 E CB 0.278 29.955 29.700 -0.040 0.000 0.783 589 E HN 0.482 nan 8.360 nan 0.000 0.481 590 D N 0.236 120.609 120.400 -0.045 0.000 2.326 590 D HA 0.221 4.862 4.640 0.002 0.000 0.251 590 D C -0.093 176.237 176.300 0.050 0.000 1.023 590 D CA -0.435 53.566 54.000 0.001 0.000 0.966 590 D CB 1.375 42.174 40.800 -0.002 0.000 1.156 590 D HN -0.072 nan 8.370 nan 0.000 0.494 591 L N 1.379 122.642 121.223 0.067 0.000 2.423 591 L HA 0.202 4.543 4.340 0.002 0.000 0.249 591 L C -0.050 176.882 176.870 0.104 0.000 1.276 591 L CA 0.338 55.239 54.840 0.101 0.000 1.199 591 L CB -0.477 41.621 42.059 0.065 0.000 1.407 591 L HN 0.078 nan 8.230 nan 0.000 0.410 592 T N 2.014 116.659 114.554 0.152 0.000 2.937 592 T HA 0.467 4.818 4.350 0.002 0.000 0.297 592 T C -0.265 174.575 174.700 0.232 0.000 0.991 592 T CA -0.399 61.784 62.100 0.137 0.000 0.990 592 T CB 1.738 70.655 68.868 0.081 0.000 0.991 592 T HN 0.142 nan 8.240 nan 0.000 0.440 593 L N 3.226 124.552 121.223 0.171 0.000 2.277 593 L HA 0.538 4.879 4.340 0.002 0.000 0.284 593 L C 1.283 178.245 176.870 0.154 0.000 1.028 593 L CA -0.834 54.112 54.840 0.176 0.000 0.835 593 L CB 0.897 43.028 42.059 0.119 0.000 1.215 593 L HN 0.765 nan 8.230 nan 0.000 0.425 594 G N 2.184 111.093 108.800 0.183 0.000 2.690 594 G HA2 0.318 4.279 3.960 0.002 0.000 0.239 594 G HA3 0.318 4.279 3.960 0.002 0.000 0.239 594 G C 0.378 175.379 174.900 0.167 0.000 1.233 594 G CA -0.236 44.964 45.100 0.167 0.000 0.847 594 G HN 0.788 nan 8.290 nan 0.000 0.588 595 A N -0.392 122.514 122.820 0.144 0.000 2.573 595 A HA 0.483 4.804 4.320 0.002 0.000 0.250 595 A C 1.745 179.439 177.584 0.183 0.000 1.049 595 A CA 1.379 53.488 52.037 0.120 0.000 0.767 595 A CB -0.669 18.380 19.000 0.081 0.000 0.965 595 A HN 2.664 nan 8.150 nan 0.000 0.514 596 G N 1.961 110.854 108.800 0.156 0.000 2.179 596 G HA2 -0.223 3.738 3.960 0.002 0.000 0.260 596 G HA3 -0.223 3.738 3.960 0.002 0.000 0.260 596 G C 0.041 175.216 174.900 0.459 0.000 0.977 596 G CA 0.621 45.885 45.100 0.273 0.000 0.641 596 G HN 0.893 nan 8.290 nan 0.000 0.533 597 E N 0.194 120.584 120.200 0.317 0.000 2.318 597 E HA 0.695 5.045 4.350 0.002 0.000 0.265 597 E C 0.325 177.046 176.600 0.201 0.000 1.069 597 E CA 0.009 56.529 56.400 0.201 0.000 0.893 597 E CB 1.514 31.290 29.700 0.126 0.000 1.076 597 E HN 0.775 nan 8.360 nan 0.000 0.414 598 A N 1.284 124.065 122.820 -0.065 0.000 2.469 598 A HA 0.680 5.001 4.320 0.002 0.000 0.299 598 A C -1.419 175.976 177.584 -0.315 0.000 1.098 598 A CA -0.641 51.329 52.037 -0.113 0.000 0.737 598 A CB 2.016 20.879 19.000 -0.228 0.000 1.312 598 A HN 0.348 nan 8.150 nan 0.000 0.414 599 V N 1.528 121.333 119.914 -0.182 0.000 2.841 599 V HA 0.677 4.798 4.120 0.002 0.000 0.310 599 V C -1.709 174.356 176.094 -0.049 0.000 1.090 599 V CA -0.654 61.549 62.300 -0.163 0.000 0.930 599 V CB 1.837 33.587 31.823 -0.122 0.000 1.014 599 V HN 1.023 nan 8.190 nan 0.000 0.425 600 L N 7.401 128.602 121.223 -0.037 0.000 2.287 600 L HA 0.810 5.151 4.340 0.002 0.000 0.287 600 L C -0.448 176.427 176.870 0.009 0.000 1.022 600 L CA -0.004 54.830 54.840 -0.009 0.000 0.814 600 L CB 1.623 43.665 42.059 -0.029 0.000 1.217 600 L HN 0.649 nan 8.230 nan 0.000 0.420 601 V N 2.132 122.061 119.914 0.024 0.000 2.815 601 V HA 1.113 5.234 4.120 0.002 0.000 0.314 601 V C -0.032 176.072 176.094 0.016 0.000 1.064 601 V CA 0.076 62.392 62.300 0.026 0.000 0.952 601 V CB 1.186 33.033 31.823 0.041 0.000 1.020 601 V HN 0.912 nan 8.190 nan 0.000 0.439 602 G N 0.000 108.805 108.800 0.008 0.000 5.446 602 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 602 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 602 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925