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 2bhz_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 VSEGRKKEFG GFSGFSGEDV 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 0.000 174.641 174.600 0.068 0.000 1.055 14 S CA 0.000 58.229 58.200 0.049 0.000 1.107 14 S CB 0.000 63.218 63.200 0.030 0.000 0.593 15 F N 4.315 124.263 119.950 -0.003 0.000 2.578 15 F HA 0.454 4.980 4.527 -0.001 0.000 0.376 15 F C 0.355 176.161 175.800 0.009 0.000 1.085 15 F CA 0.611 58.613 58.000 0.003 0.000 1.260 15 F CB 0.485 39.491 39.000 0.010 0.000 1.095 15 F HN 0.247 nan 8.300 nan 0.000 0.573 16 Q N 4.690 123.978 119.800 -0.853 0.000 2.322 16 Q HA 0.183 4.523 4.340 -0.000 0.000 0.265 16 Q C -0.050 175.350 176.000 -1.000 0.000 0.985 16 Q CA -0.911 54.509 55.803 -0.637 0.000 0.849 16 Q CB 1.817 30.347 28.738 -0.348 0.000 1.274 16 Q HN 0.773 nan 8.270 nan 0.000 0.449 17 T N 1.186 115.467 114.554 -0.456 0.000 2.937 17 T HA -0.068 4.281 4.350 -0.000 0.000 0.316 17 T C 0.912 175.502 174.700 -0.183 0.000 1.079 17 T CA 0.590 62.603 62.100 -0.145 0.000 1.131 17 T CB 0.551 69.506 68.868 0.144 0.000 1.000 17 T HN 0.583 nan 8.240 nan 0.000 0.549 18 Q N 1.679 121.406 119.800 -0.123 0.000 2.444 18 Q HA 0.050 4.390 4.340 -0.000 0.000 0.206 18 Q C 0.047 175.841 176.000 -0.343 0.000 0.948 18 Q CA 0.406 56.061 55.803 -0.247 0.000 0.946 18 Q CB 0.176 28.754 28.738 -0.267 0.000 1.027 18 Q HN 0.638 nan 8.270 nan 0.000 0.513 19 H N 0.316 119.389 119.070 0.006 0.000 2.457 19 H HA 0.297 4.853 4.556 -0.001 0.000 0.335 19 H C -0.893 174.435 175.328 -0.001 0.000 1.115 19 H CA -0.255 55.803 56.048 0.017 0.000 1.219 19 H CB 1.520 31.311 29.762 0.048 0.000 1.471 19 H HN -0.009 nan 8.280 nan 0.000 0.491 20 D N 3.480 123.940 120.400 0.099 0.000 2.863 20 D HA 0.194 4.834 4.640 -0.000 0.000 0.245 20 D C -2.135 174.197 176.300 0.052 0.000 1.211 20 D CA -2.094 51.936 54.000 0.051 0.000 0.888 20 D CB 2.719 43.524 40.800 0.007 0.000 1.483 20 D HN 0.097 nan 8.370 nan 0.000 0.533 21 P HA -0.084 nan 4.420 nan 0.000 0.217 21 P C 1.102 178.409 177.300 0.013 0.000 1.148 21 P CA 1.064 64.183 63.100 0.032 0.000 0.828 21 P CB 0.299 32.016 31.700 0.029 0.000 0.783 22 R N -0.955 119.549 120.500 0.007 0.000 2.193 22 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 22 R C 1.410 177.705 176.300 -0.009 0.000 1.110 22 R CA 1.789 57.887 56.100 -0.004 0.000 0.988 22 R CB -0.862 29.434 30.300 -0.006 0.000 0.871 22 R HN 0.342 nan 8.270 nan 0.000 0.458 23 T N -2.687 111.865 114.554 -0.005 0.000 3.182 23 T HA 0.169 4.519 4.350 -0.000 0.000 0.277 23 T C 0.456 175.148 174.700 -0.012 0.000 1.013 23 T CA -0.567 61.526 62.100 -0.011 0.000 0.900 23 T CB 0.191 69.049 68.868 -0.017 0.000 1.098 23 T HN 0.009 nan 8.240 nan 0.000 0.543 24 R N 1.754 122.251 120.500 -0.005 0.000 2.522 24 R HA 0.286 4.625 4.340 -0.000 0.000 0.284 24 R C -0.215 176.030 176.300 -0.092 0.000 1.032 24 R CA -0.289 55.803 56.100 -0.014 0.000 1.049 24 R CB 0.151 30.454 30.300 0.005 0.000 0.956 24 R HN 0.405 nan 8.270 nan 0.000 0.422 25 L N 4.457 125.550 121.223 -0.216 0.000 2.439 25 L HA 0.295 4.635 4.340 -0.000 0.000 0.269 25 L C 1.263 177.944 176.870 -0.315 0.000 1.179 25 L CA 0.865 55.453 54.840 -0.420 0.000 0.828 25 L CB 0.870 42.329 42.059 -1.000 0.000 1.106 25 L HN 1.094 nan 8.230 nan 0.000 0.467 26 G N 1.782 110.531 108.800 -0.085 0.000 2.445 26 G HA2 0.042 4.001 3.960 -0.000 0.000 0.212 26 G HA3 0.042 4.001 3.960 -0.000 0.000 0.212 26 G C -0.979 174.006 174.900 0.141 0.000 1.217 26 G CA -0.236 44.985 45.100 0.201 0.000 1.002 26 G HN 1.011 nan 8.290 nan 0.000 0.574 27 A N -0.304 122.525 122.820 0.015 0.000 2.311 27 A HA 0.829 5.148 4.320 -0.000 0.000 0.306 27 A C -0.102 177.333 177.584 -0.248 0.000 1.189 27 A CA 0.661 52.471 52.037 -0.378 0.000 0.791 27 A CB 1.289 19.894 19.000 -0.658 0.000 1.172 27 A HN 1.525 nan 8.150 nan 0.000 0.481 28 T N 4.825 119.206 114.554 -0.289 0.000 2.840 28 T HA 0.530 4.880 4.350 -0.000 0.000 0.287 28 T C -2.884 171.708 174.700 -0.180 0.000 0.991 28 T CA -1.073 60.940 62.100 -0.146 0.000 0.964 28 T CB 1.534 70.360 68.868 -0.070 0.000 0.954 28 T HN 0.382 nan 8.240 nan 0.000 0.438 29 P HA 0.152 nan 4.420 nan 0.000 0.266 29 P C -0.468 176.786 177.300 -0.076 0.000 1.195 29 P CA -0.204 62.829 63.100 -0.111 0.000 0.768 29 P CB 0.463 32.119 31.700 -0.073 0.000 0.838 30 L N 5.155 126.334 121.223 -0.074 0.000 2.399 30 L HA 0.421 4.761 4.340 -0.000 0.000 0.266 30 L C -1.539 175.315 176.870 -0.026 0.000 1.114 30 L CA -2.018 52.794 54.840 -0.048 0.000 0.804 30 L CB 0.268 42.299 42.059 -0.047 0.000 1.146 30 L HN 0.309 nan 8.230 nan 0.000 0.451 31 P HA 0.087 nan 4.420 nan 0.000 0.272 31 P C 0.484 177.780 177.300 -0.007 0.000 1.240 31 P CA 0.071 63.168 63.100 -0.006 0.000 0.791 31 P CB 0.650 32.350 31.700 -0.001 0.000 0.978 32 G N 0.154 108.952 108.800 -0.003 0.000 2.179 32 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.257 32 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.257 32 G C 0.838 175.736 174.900 -0.004 0.000 1.010 32 G CA 0.575 45.674 45.100 -0.002 0.000 0.736 32 G HN 1.129 nan 8.290 nan 0.000 0.513 33 G N -1.395 107.400 108.800 -0.008 0.000 2.203 33 G HA2 0.068 4.028 3.960 -0.000 0.000 0.263 33 G HA3 0.068 4.028 3.960 -0.000 0.000 0.263 33 G C 1.335 176.229 174.900 -0.010 0.000 1.012 33 G CA 1.281 46.376 45.100 -0.009 0.000 0.749 33 G HN 2.142 nan 8.290 nan 0.000 0.512 34 A N -1.233 121.579 122.820 -0.013 0.000 2.167 34 A HA 0.579 4.899 4.320 -0.000 0.000 0.214 34 A C 2.296 179.870 177.584 -0.017 0.000 1.151 34 A CA 2.053 54.082 52.037 -0.012 0.000 0.735 34 A CB -0.140 18.854 19.000 -0.012 0.000 0.802 34 A HN 2.585 nan 8.150 nan 0.000 0.467 35 G N -2.322 106.461 108.800 -0.029 0.000 2.348 35 G HA2 0.168 4.128 3.960 -0.000 0.000 0.199 35 G HA3 0.168 4.128 3.960 -0.000 0.000 0.199 35 G C -0.342 174.504 174.900 -0.090 0.000 1.235 35 G CA -0.128 44.948 45.100 -0.039 0.000 1.264 35 G HN 0.715 nan 8.290 nan 0.000 0.543 36 T N 0.512 114.984 114.554 -0.136 0.000 2.916 36 T HA 0.644 4.993 4.350 -0.000 0.000 0.298 36 T C -0.369 174.109 174.700 -0.370 0.000 1.031 36 T CA -0.530 61.374 62.100 -0.327 0.000 0.993 36 T CB 2.141 70.689 68.868 -0.534 0.000 1.045 36 T HN 0.696 nan 8.240 nan 0.000 0.454 37 R N 2.369 122.646 120.500 -0.371 0.000 2.229 37 R HA 0.536 4.876 4.340 -0.000 0.000 0.328 37 R C -1.345 174.722 176.300 -0.389 0.000 1.009 37 R CA -0.477 55.475 56.100 -0.245 0.000 0.864 37 R CB 0.320 30.551 30.300 -0.116 0.000 1.085 37 R HN 0.458 nan 8.270 nan 0.000 0.453 38 F N 3.621 123.566 119.950 -0.007 0.000 2.420 38 F HA 0.520 5.046 4.527 -0.001 0.000 0.342 38 F C 0.463 176.312 175.800 0.081 0.000 1.113 38 F CA -0.496 57.545 58.000 0.068 0.000 1.059 38 F CB 1.565 40.653 39.000 0.147 0.000 1.128 38 F HN 0.312 nan 8.300 nan 0.000 0.475 39 R N 3.286 123.911 120.500 0.208 0.000 2.698 39 R HA 0.839 5.179 4.340 -0.000 0.000 0.275 39 R C -1.711 174.549 176.300 -0.067 0.000 1.001 39 R CA -1.123 55.013 56.100 0.059 0.000 0.896 39 R CB 2.635 32.937 30.300 0.003 0.000 1.218 39 R HN 0.613 nan 8.270 nan 0.000 0.462 40 L N -1.682 119.483 121.223 -0.097 0.000 2.479 40 L HA 0.733 5.072 4.340 -0.000 0.000 0.255 40 L C -1.657 175.279 176.870 0.110 0.000 1.026 40 L CA -0.814 53.951 54.840 -0.125 0.000 0.842 40 L CB 1.319 43.149 42.059 -0.382 0.000 1.444 40 L HN 0.674 nan 8.230 nan 0.000 0.409 41 W N 0.984 122.247 121.300 -0.062 0.000 2.532 41 W HA 0.795 5.454 4.660 -0.001 0.000 0.321 41 W C -1.089 175.481 176.519 0.086 0.000 1.037 41 W CA -0.417 56.894 57.345 -0.057 0.000 1.220 41 W CB 1.816 31.045 29.460 -0.384 0.000 1.361 41 W HN 0.891 nan 8.180 nan 0.000 0.468 42 T N 3.520 117.857 114.554 -0.361 0.000 2.921 42 T HA 0.321 4.671 4.350 -0.000 0.000 0.297 42 T C 0.616 174.988 174.700 -0.547 0.000 1.013 42 T CA 0.036 61.826 62.100 -0.517 0.000 0.990 42 T CB 1.232 69.962 68.868 -0.230 0.000 1.023 42 T HN 0.475 nan 8.240 nan 0.000 0.447 43 S N 2.056 117.369 115.700 -0.646 0.000 2.517 43 S HA 0.067 4.537 4.470 -0.000 0.000 0.214 43 S C 1.535 176.046 174.600 -0.149 0.000 0.991 43 S CA 0.822 58.836 58.200 -0.310 0.000 0.906 43 S CB -0.153 62.866 63.200 -0.301 0.000 0.789 43 S HN 0.872 nan 8.310 nan 0.000 0.513 44 T N -1.598 112.852 114.554 -0.173 0.000 2.964 44 T HA 0.573 4.923 4.350 -0.000 0.000 0.250 44 T C 0.715 175.350 174.700 -0.109 0.000 0.982 44 T CA 0.309 62.341 62.100 -0.113 0.000 0.959 44 T CB -0.257 68.543 68.868 -0.113 0.000 1.141 44 T HN 0.472 nan 8.240 nan 0.000 0.494 45 A N 1.765 124.492 122.820 -0.155 0.000 2.445 45 A HA 0.588 4.908 4.320 -0.000 0.000 0.242 45 A C 1.329 178.841 177.584 -0.120 0.000 1.075 45 A CA -0.482 51.453 52.037 -0.170 0.000 0.777 45 A CB 0.374 19.214 19.000 -0.266 0.000 1.013 45 A HN 0.230 nan 8.150 nan 0.000 0.493 46 R N 0.067 120.509 120.500 -0.096 0.000 2.225 46 R HA 0.079 4.419 4.340 -0.000 0.000 0.194 46 R C 0.309 176.575 176.300 -0.057 0.000 0.957 46 R CA 1.386 57.456 56.100 -0.049 0.000 1.042 46 R CB -0.025 30.257 30.300 -0.030 0.000 1.004 46 R HN 0.894 nan 8.270 nan 0.000 0.509 47 T N -1.529 112.967 114.554 -0.097 0.000 2.841 47 T HA 0.648 4.997 4.350 -0.000 0.000 0.283 47 T C -0.427 174.171 174.700 -0.170 0.000 1.000 47 T CA -0.674 61.370 62.100 -0.095 0.000 0.977 47 T CB 2.457 71.291 68.868 -0.057 0.000 0.979 47 T HN -0.221 nan 8.240 nan 0.000 0.446 48 V N 1.768 121.570 119.914 -0.186 0.000 2.569 48 V HA 0.852 4.972 4.120 -0.000 0.000 0.301 48 V C -0.084 175.962 176.094 -0.079 0.000 1.044 48 V CA -0.689 61.459 62.300 -0.255 0.000 0.874 48 V CB 1.114 32.528 31.823 -0.682 0.000 1.002 48 V HN 1.421 nan 8.190 nan 0.000 0.424 49 A N 3.679 126.496 122.820 -0.004 0.000 2.527 49 A HA 0.949 5.269 4.320 -0.000 0.000 0.293 49 A C -1.356 176.338 177.584 0.184 0.000 1.117 49 A CA -0.747 51.335 52.037 0.075 0.000 0.723 49 A CB 2.306 21.331 19.000 0.040 0.000 1.313 49 A HN 1.029 nan 8.150 nan 0.000 0.411 50 V N 0.838 120.849 119.914 0.162 0.000 2.513 50 V HA 0.682 4.802 4.120 -0.000 0.000 0.299 50 V C -0.166 175.927 176.094 -0.002 0.000 1.035 50 V CA -0.750 61.607 62.300 0.096 0.000 0.889 50 V CB 1.471 33.218 31.823 -0.126 0.000 0.988 50 V HN 0.884 nan 8.190 nan 0.000 0.440 51 R N 5.037 125.508 120.500 -0.047 0.000 2.246 51 R HA 0.672 5.012 4.340 -0.000 0.000 0.332 51 R C -1.774 174.504 176.300 -0.036 0.000 0.974 51 R CA -0.379 55.706 56.100 -0.024 0.000 0.837 51 R CB 1.510 31.791 30.300 -0.031 0.000 1.145 51 R HN 0.612 nan 8.270 nan 0.000 0.467 52 V N 5.539 125.459 119.914 0.009 0.000 2.409 52 V HA 0.185 4.304 4.120 -0.000 0.000 0.291 52 V C -0.103 176.030 176.094 0.065 0.000 1.020 52 V CA -0.984 61.330 62.300 0.023 0.000 0.848 52 V CB 1.579 33.377 31.823 -0.041 0.000 0.990 52 V HN 0.946 nan 8.190 nan 0.000 0.430 53 N N 4.132 122.871 118.700 0.065 0.000 2.716 53 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 53 N C 1.209 176.738 175.510 0.032 0.000 1.033 53 N CA 1.571 54.651 53.050 0.051 0.000 0.727 53 N CB -1.044 37.480 38.487 0.062 0.000 0.950 53 N HN 1.528 nan 8.380 nan 0.000 0.541 54 G N -2.780 106.030 108.800 0.016 0.000 2.199 54 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.254 54 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.254 54 G C 0.151 175.042 174.900 -0.014 0.000 0.982 54 G CA 0.613 45.712 45.100 -0.002 0.000 0.632 54 G HN 0.521 nan 8.290 nan 0.000 0.529 55 T N 1.791 116.344 114.554 -0.003 0.000 2.771 55 T HA 0.530 4.880 4.350 -0.000 0.000 0.281 55 T C -0.113 174.528 174.700 -0.098 0.000 0.982 55 T CA -0.404 61.658 62.100 -0.063 0.000 0.978 55 T CB 1.833 70.675 68.868 -0.043 0.000 0.930 55 T HN 0.339 nan 8.240 nan 0.000 0.447 56 E N 2.706 122.806 120.200 -0.167 0.000 2.313 56 E HA 0.216 4.565 4.350 -0.000 0.000 0.276 56 E C -0.343 176.077 176.600 -0.301 0.000 1.031 56 E CA -0.488 55.834 56.400 -0.131 0.000 0.857 56 E CB 0.684 30.336 29.700 -0.080 0.000 1.040 56 E HN 0.600 nan 8.360 nan 0.000 0.408 57 H N 1.161 120.214 119.070 -0.028 0.000 2.782 57 H HA 0.163 4.719 4.556 -0.001 0.000 0.347 57 H C -0.230 175.103 175.328 0.009 0.000 1.038 57 H CA -0.575 55.467 56.048 -0.011 0.000 1.255 57 H CB 1.744 31.495 29.762 -0.019 0.000 1.623 57 H HN 0.283 nan 8.280 nan 0.000 0.525 61 S N 2.314 117.950 115.700 -0.107 0.000 2.474 61 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 61 S C 0.984 175.403 174.600 -0.300 0.000 1.227 61 S CA -0.683 57.219 58.200 -0.497 0.000 1.050 61 S CB -0.051 62.959 63.200 -0.316 0.000 0.939 61 S HN 0.597 nan 8.310 nan 0.000 0.490 62 L N 4.630 125.654 121.223 -0.332 0.000 2.616 62 L HA 0.405 4.745 4.340 -0.000 0.000 0.229 62 L C 1.167 177.960 176.870 -0.128 0.000 1.110 62 L CA 0.159 54.900 54.840 -0.166 0.000 0.884 62 L CB -0.594 41.396 42.059 -0.115 0.000 1.115 62 L HN 0.928 nan 8.230 nan 0.000 0.481 63 G N -0.687 108.017 108.800 -0.160 0.000 2.663 63 G HA2 0.156 4.116 3.960 -0.000 0.000 0.686 63 G HA3 0.156 4.116 3.960 -0.000 0.000 0.686 63 G C 0.496 175.380 174.900 -0.026 0.000 1.246 63 G CA -0.464 44.591 45.100 -0.076 0.000 0.795 63 G HN 0.440 nan 8.290 nan 0.000 0.627 64 G N -0.768 108.052 108.800 0.034 0.000 2.168 64 G HA2 0.348 4.308 3.960 -0.000 0.000 0.257 64 G HA3 0.348 4.308 3.960 -0.000 0.000 0.257 64 G C 2.081 177.136 174.900 0.259 0.000 0.997 64 G CA 1.152 46.318 45.100 0.111 0.000 0.708 64 G HN 3.139 nan 8.290 nan 0.000 0.520 65 G N -1.565 107.356 108.800 0.203 0.000 2.148 65 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 65 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 65 G C 0.298 175.421 174.900 0.372 0.000 0.981 65 G CA 0.432 45.728 45.100 0.327 0.000 0.670 65 G HN 1.195 nan 8.290 nan 0.000 0.528 66 I N 0.413 121.059 120.570 0.127 0.000 2.395 66 I HA 0.512 4.681 4.170 -0.000 0.000 0.289 66 I C 0.230 176.236 176.117 -0.185 0.000 1.023 66 I CA -1.002 60.351 61.300 0.088 0.000 1.350 66 I CB 0.413 38.434 38.000 0.034 0.000 1.409 66 I HN 0.083 nan 8.210 nan 0.000 0.507 67 Y N 3.729 124.046 120.300 0.028 0.000 2.499 67 Y HA 0.541 5.091 4.550 -0.001 0.000 0.347 67 Y C 0.185 176.090 175.900 0.008 0.000 0.987 67 Y CA -0.718 57.388 58.100 0.009 0.000 1.044 67 Y CB 2.268 40.718 38.460 -0.016 0.000 1.245 67 Y HN 0.536 nan 8.280 nan 0.000 0.461 68 E N 2.329 122.622 120.200 0.154 0.000 2.366 68 E HA 0.688 5.038 4.350 -0.000 0.000 0.278 68 E C -2.362 174.327 176.600 0.148 0.000 0.923 68 E CA -0.864 55.613 56.400 0.128 0.000 0.761 68 E CB 2.521 32.260 29.700 0.065 0.000 1.231 68 E HN 0.558 nan 8.360 nan 0.000 0.443 69 L N 2.219 123.554 121.223 0.186 0.000 2.549 69 L HA 0.411 4.750 4.340 -0.000 0.000 0.259 69 L C -1.732 175.258 176.870 0.201 0.000 0.934 69 L CA -0.142 54.799 54.840 0.168 0.000 0.865 69 L CB 2.205 44.358 42.059 0.157 0.000 1.352 69 L HN 0.605 nan 8.230 nan 0.000 0.410 70 E N 4.778 125.047 120.200 0.115 0.000 2.166 70 E HA 0.713 5.062 4.350 -0.000 0.000 0.275 70 E C -1.359 175.280 176.600 0.066 0.000 0.941 70 E CA -0.518 55.932 56.400 0.083 0.000 0.784 70 E CB 1.990 31.708 29.700 0.029 0.000 1.115 70 E HN 0.435 nan 8.360 nan 0.000 0.399 71 L N 3.447 124.720 121.223 0.083 0.000 2.393 71 L HA 0.385 4.725 4.340 -0.000 0.000 0.260 71 L C -2.263 174.623 176.870 0.026 0.000 1.002 71 L CA -2.316 52.538 54.840 0.024 0.000 0.818 71 L CB 2.477 44.522 42.059 -0.024 0.000 1.369 71 L HN 0.361 nan 8.230 nan 0.000 0.412 72 P HA 0.029 nan 4.420 nan 0.000 0.246 72 P C -0.411 176.900 177.300 0.020 0.000 1.686 72 P CA 0.094 63.200 63.100 0.010 0.000 0.867 72 P CB -0.400 31.306 31.700 0.011 0.000 1.733 73 V N -2.923 117.013 119.914 0.036 0.000 2.834 73 V HA 0.956 5.075 4.120 -0.000 0.000 0.313 73 V C 0.371 176.475 176.094 0.016 0.000 1.060 73 V CA -0.702 61.627 62.300 0.048 0.000 0.989 73 V CB 1.692 33.578 31.823 0.104 0.000 1.041 73 V HN 0.190 nan 8.190 nan 0.000 0.459 74 G N 1.403 110.212 108.800 0.016 0.000 3.108 74 G HA2 0.742 4.702 3.960 -0.000 0.000 0.268 74 G HA3 0.742 4.702 3.960 -0.000 0.000 0.268 74 G C -3.107 171.790 174.900 -0.005 0.000 1.361 74 G CA -1.921 43.173 45.100 -0.010 0.000 1.047 74 G HN 0.687 nan 8.290 nan 0.000 0.540 75 P HA 0.230 nan 4.420 nan 0.000 0.264 75 P C 0.888 178.193 177.300 0.009 0.000 1.183 75 P CA 1.675 64.761 63.100 -0.025 0.000 0.763 75 P CB 0.964 32.631 31.700 -0.054 0.000 0.807 76 G N 1.575 110.397 108.800 0.037 0.000 2.234 76 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.235 76 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.235 76 G C 0.461 175.416 174.900 0.093 0.000 0.997 76 G CA -0.020 45.117 45.100 0.061 0.000 0.623 76 G HN 0.850 nan 8.290 nan 0.000 0.514 77 A N 0.966 123.851 122.820 0.108 0.000 2.531 77 A HA 0.578 4.898 4.320 -0.000 0.000 0.236 77 A C 0.730 178.444 177.584 0.216 0.000 1.062 77 A CA 0.463 52.588 52.037 0.147 0.000 0.760 77 A CB 0.240 19.338 19.000 0.163 0.000 0.995 77 A HN 0.403 nan 8.150 nan 0.000 0.501 78 R N 0.665 121.272 120.500 0.177 0.000 2.474 78 R HA 0.582 4.922 4.340 -0.000 0.000 0.295 78 R C -1.034 175.380 176.300 0.190 0.000 0.980 78 R CA -0.165 56.022 56.100 0.144 0.000 0.934 78 R CB 1.035 31.365 30.300 0.051 0.000 1.101 78 R HN 0.858 nan 8.270 nan 0.000 0.469 79 Y N -0.191 120.087 120.300 -0.037 0.000 2.656 79 Y HA 0.678 5.228 4.550 -0.001 0.000 0.334 79 Y C -1.582 174.191 175.900 -0.211 0.000 1.179 79 Y CA -1.455 56.559 58.100 -0.143 0.000 1.050 79 Y CB 0.983 39.333 38.460 -0.184 0.000 1.308 79 Y HN 0.353 nan 8.280 nan 0.000 0.456 80 L N -0.895 120.152 121.223 -0.294 0.000 2.510 80 L HA 0.796 5.136 4.340 -0.000 0.000 0.252 80 L C -1.789 174.886 176.870 -0.325 0.000 1.091 80 L CA -1.451 53.157 54.840 -0.388 0.000 0.888 80 L CB 0.809 42.718 42.059 -0.251 0.000 1.507 80 L HN 0.589 nan 8.230 nan 0.000 0.407 81 F N -0.223 119.791 119.950 0.107 0.000 2.470 81 F HA 0.815 5.342 4.527 -0.000 0.000 0.329 81 F C 0.006 175.795 175.800 -0.018 0.000 1.072 81 F CA -1.003 57.052 58.000 0.092 0.000 0.989 81 F CB 2.150 41.284 39.000 0.224 0.000 1.193 81 F HN 0.206 nan 8.300 nan 0.000 0.481 82 V N 4.050 124.061 119.914 0.163 0.000 2.376 82 V HA 0.395 4.514 4.120 -0.000 0.000 0.287 82 V C -0.544 175.522 176.094 -0.046 0.000 1.015 82 V CA -0.666 61.646 62.300 0.019 0.000 0.834 82 V CB 1.298 33.123 31.823 0.003 0.000 1.001 82 V HN 0.495 nan 8.190 nan 0.000 0.428 83 L N 4.229 125.385 121.223 -0.112 0.000 2.298 83 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 83 L C 0.077 176.863 176.870 -0.140 0.000 1.013 83 L CA -0.628 54.103 54.840 -0.182 0.000 0.824 83 L CB 1.269 43.150 42.059 -0.296 0.000 1.221 83 L HN 0.592 nan 8.230 nan 0.000 0.418 84 D N 3.456 123.782 120.400 -0.124 0.000 2.701 84 D HA -0.210 4.430 4.640 -0.000 0.000 0.235 84 D C 1.210 177.468 176.300 -0.070 0.000 1.155 84 D CA 1.519 55.465 54.000 -0.090 0.000 0.649 84 D CB -0.749 39.998 40.800 -0.089 0.000 1.050 84 D HN 1.107 nan 8.370 nan 0.000 0.425 85 G N -2.302 106.459 108.800 -0.064 0.000 2.179 85 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.260 85 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.260 85 G C 0.352 175.221 174.900 -0.051 0.000 0.977 85 G CA 0.239 45.309 45.100 -0.050 0.000 0.641 85 G HN 0.634 nan 8.290 nan 0.000 0.533 86 V N 2.333 122.209 119.914 -0.063 0.000 2.350 86 V HA 0.442 4.561 4.120 -0.000 0.000 0.276 86 V C -1.819 174.234 176.094 -0.068 0.000 1.028 86 V CA -1.737 60.527 62.300 -0.061 0.000 0.860 86 V CB 1.563 33.348 31.823 -0.064 0.000 0.990 86 V HN 0.093 nan 8.190 nan 0.000 0.453 87 P HA 0.230 nan 4.420 nan 0.000 0.267 87 P C -0.380 176.853 177.300 -0.112 0.000 1.209 87 P CA 0.324 63.382 63.100 -0.070 0.000 0.763 87 P CB 0.355 32.015 31.700 -0.066 0.000 0.816 88 T N 5.002 119.486 114.554 -0.118 0.000 2.937 88 T HA 0.399 4.748 4.350 -0.000 0.000 0.297 88 T C -2.676 171.932 174.700 -0.153 0.000 0.991 88 T CA -1.641 60.335 62.100 -0.206 0.000 0.990 88 T CB 1.353 70.129 68.868 -0.154 0.000 0.991 88 T HN 0.093 nan 8.240 nan 0.000 0.440 89 P HA 0.096 nan 4.420 nan 0.000 0.268 89 P C -0.517 176.847 177.300 0.107 0.000 1.208 89 P CA -0.285 62.688 63.100 -0.212 0.000 0.777 89 P CB 0.450 31.962 31.700 -0.313 0.000 0.875 90 D N 2.542 123.003 120.400 0.101 0.000 2.325 90 D HA 0.117 4.756 4.640 -0.000 0.000 0.251 90 D C -1.640 174.788 176.300 0.214 0.000 1.196 90 D CA -2.159 52.025 54.000 0.307 0.000 0.866 90 D CB 0.360 41.354 40.800 0.325 0.000 1.101 90 D HN 0.106 nan 8.370 nan 0.000 0.476 91 P HA -0.096 nan 4.420 nan 0.000 0.222 91 P C 0.177 177.482 177.300 0.010 0.000 1.147 91 P CA 1.015 64.129 63.100 0.023 0.000 0.790 91 P CB -0.015 31.532 31.700 -0.255 0.000 0.780 92 Y N -1.051 119.329 120.300 0.133 0.000 2.493 92 Y HA 0.403 4.953 4.550 -0.001 0.000 0.275 92 Y C 1.234 177.150 175.900 0.028 0.000 1.183 92 Y CA -0.820 57.216 58.100 -0.106 0.000 1.258 92 Y CB -0.739 37.607 38.460 -0.189 0.000 1.108 92 Y HN -0.164 nan 8.280 nan 0.000 0.521 93 A N 0.812 123.786 122.820 0.257 0.000 2.565 93 A HA 0.048 4.367 4.320 -0.000 0.000 0.237 93 A C 1.254 179.016 177.584 0.297 0.000 1.053 93 A CA -0.144 52.044 52.037 0.251 0.000 0.755 93 A CB 0.453 19.533 19.000 0.134 0.000 0.980 93 A HN 0.341 nan 8.150 nan 0.000 0.506 94 R N 0.348 121.046 120.500 0.330 0.000 2.280 94 R HA 0.249 4.589 4.340 -0.000 0.000 0.195 94 R C -0.795 175.789 176.300 0.473 0.000 0.935 94 R CA 0.496 56.838 56.100 0.403 0.000 1.033 94 R CB -0.391 30.137 30.300 0.382 0.000 0.964 94 R HN 0.665 nan 8.270 nan 0.000 0.489 95 F N -0.682 119.371 119.950 0.172 0.000 2.672 95 F HA 0.350 4.877 4.527 -0.000 0.000 0.311 95 F C -1.580 174.261 175.800 0.068 0.000 1.113 95 F CA -1.136 56.943 58.000 0.132 0.000 0.996 95 F CB 1.228 40.295 39.000 0.112 0.000 1.286 95 F HN -0.239 nan 8.300 nan 0.000 0.441 96 L N 7.794 128.656 121.223 -0.601 0.000 2.470 96 L HA 0.356 4.696 4.340 -0.000 0.000 0.253 96 L C -1.820 174.641 176.870 -0.681 0.000 1.163 96 L CA -1.297 53.272 54.840 -0.452 0.000 0.932 96 L CB 1.526 43.438 42.059 -0.245 0.000 1.213 96 L HN 0.403 nan 8.230 nan 0.000 0.485 97 P HA -0.111 nan 4.420 nan 0.000 0.220 97 P C 0.234 177.377 177.300 -0.261 0.000 1.148 97 P CA 1.098 63.927 63.100 -0.451 0.000 0.803 97 P CB 0.421 32.071 31.700 -0.083 0.000 0.782 98 D N -0.568 119.708 120.400 -0.206 0.000 2.424 98 D HA 0.305 4.945 4.640 -0.000 0.000 0.220 98 D C 1.255 177.476 176.300 -0.133 0.000 1.150 98 D CA 0.434 54.353 54.000 -0.134 0.000 0.831 98 D CB 0.483 41.234 40.800 -0.082 0.000 0.981 98 D HN 0.141 nan 8.370 nan 0.000 0.500 99 G N 0.604 109.284 108.800 -0.200 0.000 2.685 99 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.387 99 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.387 99 G C 0.934 175.742 174.900 -0.152 0.000 1.324 99 G CA -0.297 44.699 45.100 -0.174 0.000 0.878 99 G HN 0.342 nan 8.290 nan 0.000 0.527 100 V N -2.961 116.841 119.914 -0.187 0.000 3.141 100 V HA 0.108 4.228 4.120 -0.000 0.000 0.265 100 V C 1.650 177.628 176.094 -0.193 0.000 1.126 100 V CA 2.243 64.430 62.300 -0.188 0.000 1.141 100 V CB -0.552 31.157 31.823 -0.190 0.000 0.743 100 V HN 0.776 nan 8.190 nan 0.000 0.492 101 H N 0.573 119.711 119.070 0.113 0.000 2.549 101 H HA 0.515 5.070 4.556 -0.001 0.000 0.279 101 H C 1.120 176.428 175.328 -0.033 0.000 1.018 101 H CA 0.516 56.624 56.048 0.101 0.000 1.175 101 H CB 0.590 30.431 29.762 0.131 0.000 1.485 101 H HN 0.596 nan 8.280 nan 0.000 0.543 102 G N 0.276 109.073 108.800 -0.004 0.000 2.753 102 G HA2 0.289 4.249 3.960 -0.000 0.000 0.285 102 G HA3 0.289 4.249 3.960 -0.000 0.000 0.285 102 G C -0.254 174.564 174.900 -0.135 0.000 1.344 102 G CA -0.656 44.407 45.100 -0.061 0.000 1.050 102 G HN 0.108 nan 8.290 nan 0.000 0.532 103 E N -0.519 119.593 120.200 -0.147 0.000 2.398 103 E HA 0.415 4.765 4.350 -0.000 0.000 0.263 103 E C 0.320 176.764 176.600 -0.261 0.000 1.046 103 E CA -0.163 56.105 56.400 -0.220 0.000 0.908 103 E CB 1.155 30.761 29.700 -0.156 0.000 0.963 103 E HN 0.525 nan 8.360 nan 0.000 0.431 104 A N 2.766 125.312 122.820 -0.456 0.000 2.286 104 A HA 0.247 4.566 4.320 -0.000 0.000 0.286 104 A C -0.127 177.353 177.584 -0.175 0.000 1.097 104 A CA -0.417 51.390 52.037 -0.384 0.000 0.821 104 A CB 0.655 19.283 19.000 -0.620 0.000 1.076 104 A HN 0.633 nan 8.150 nan 0.000 0.490 105 E N 0.023 120.274 120.200 0.085 0.000 2.204 105 E HA 0.442 4.791 4.350 -0.000 0.000 0.276 105 E C -1.024 175.773 176.600 0.329 0.000 0.974 105 E CA -0.701 55.836 56.400 0.228 0.000 0.815 105 E CB 1.814 31.674 29.700 0.267 0.000 1.119 105 E HN 0.398 nan 8.360 nan 0.000 0.393 106 V N 3.328 123.421 119.914 0.298 0.000 2.555 106 V HA 0.098 4.218 4.120 -0.000 0.000 0.286 106 V C -0.032 176.081 176.094 0.031 0.000 1.044 106 V CA -0.177 62.217 62.300 0.157 0.000 1.026 106 V CB 1.043 32.896 31.823 0.049 0.000 0.981 106 V HN 0.360 nan 8.190 nan 0.000 0.480 107 V N 3.956 123.830 119.914 -0.066 0.000 2.495 107 V HA 0.426 4.545 4.120 -0.000 0.000 0.298 107 V C -0.470 175.378 176.094 -0.410 0.000 1.031 107 V CA -0.653 61.480 62.300 -0.278 0.000 0.871 107 V CB 2.072 33.644 31.823 -0.418 0.000 0.988 107 V HN 0.894 nan 8.190 nan 0.000 0.432 108 D N 2.752 122.925 120.400 -0.378 0.000 2.349 108 D HA 0.375 5.015 4.640 -0.000 0.000 0.232 108 D C 0.263 176.364 176.300 -0.333 0.000 1.071 108 D CA -0.433 53.402 54.000 -0.274 0.000 0.832 108 D CB 1.261 41.988 40.800 -0.122 0.000 1.086 108 D HN 0.322 nan 8.370 nan 0.000 0.504 109 F N 1.541 121.484 119.950 -0.011 0.000 2.748 109 F HA 0.189 4.715 4.527 -0.001 0.000 0.299 109 F C 2.394 178.235 175.800 0.069 0.000 1.154 109 F CA 0.290 58.282 58.000 -0.013 0.000 1.446 109 F CB 0.257 39.236 39.000 -0.036 0.000 1.112 109 F HN 0.523 nan 8.300 nan 0.000 0.584 110 G N -1.197 107.710 108.800 0.178 0.000 2.880 110 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 110 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 110 G C 1.571 176.543 174.900 0.120 0.000 1.157 110 G CA 0.670 45.870 45.100 0.166 0.000 0.779 110 G HN 0.242 nan 8.290 nan 0.000 0.539 111 T N 0.677 115.274 114.554 0.071 0.000 2.809 111 T HA 0.053 4.403 4.350 -0.000 0.000 0.260 111 T C 0.815 175.521 174.700 0.010 0.000 1.039 111 T CA -0.108 62.006 62.100 0.023 0.000 1.141 111 T CB -0.158 68.701 68.868 -0.016 0.000 0.869 111 T HN 0.159 nan 8.240 nan 0.000 0.437 112 F N 3.305 123.169 119.950 -0.142 0.000 2.607 112 F HA 0.096 4.623 4.527 -0.000 0.000 0.374 112 F C 0.522 176.147 175.800 -0.291 0.000 1.104 112 F CA -0.736 57.080 58.000 -0.307 0.000 1.296 112 F CB 0.394 39.061 39.000 -0.554 0.000 1.085 112 F HN -0.045 nan 8.300 nan 0.000 0.584 113 D N 7.041 126.795 120.400 -1.077 0.000 2.524 113 D HA 0.061 4.700 4.640 -0.000 0.000 0.222 113 D C -0.768 175.145 176.300 -0.645 0.000 1.142 113 D CA -0.223 53.394 54.000 -0.638 0.000 0.973 113 D CB -0.208 40.302 40.800 -0.483 0.000 1.025 113 D HN 0.395 nan 8.370 nan 0.000 0.519 114 W N 0.987 122.209 121.300 -0.130 0.000 2.137 114 W HA 0.104 4.763 4.660 -0.001 0.000 0.344 114 W C 1.838 178.382 176.519 0.042 0.000 1.286 114 W CA -0.257 57.142 57.345 0.089 0.000 1.240 114 W CB 0.814 30.405 29.460 0.218 0.000 1.141 114 W HN 0.275 nan 8.180 nan 0.000 0.579 115 T N -2.632 112.139 114.554 0.360 0.000 3.200 115 T HA 0.016 4.365 4.350 -0.000 0.000 0.284 115 T C 0.076 174.914 174.700 0.229 0.000 1.009 115 T CA -0.255 61.973 62.100 0.213 0.000 0.907 115 T CB -0.270 68.667 68.868 0.114 0.000 1.120 115 T HN 0.436 nan 8.240 nan 0.000 0.534 116 D N 0.692 121.288 120.400 0.327 0.000 2.643 116 D HA 0.413 5.053 4.640 -0.000 0.000 0.244 116 D C 1.429 177.837 176.300 0.180 0.000 1.257 116 D CA -0.313 53.848 54.000 0.268 0.000 0.831 116 D CB 0.220 41.247 40.800 0.379 0.000 1.043 116 D HN 0.333 nan 8.370 nan 0.000 0.488 117 A N 0.554 123.460 122.820 0.144 0.000 2.019 117 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 117 A C 1.351 178.939 177.584 0.006 0.000 1.164 117 A CA 1.051 53.133 52.037 0.076 0.000 0.644 117 A CB -0.094 18.959 19.000 0.088 0.000 0.805 117 A HN 0.131 nan 8.150 nan 0.000 0.449 118 D N -1.754 118.629 120.400 -0.028 0.000 2.388 118 D HA 0.050 4.690 4.640 -0.000 0.000 0.221 118 D C -0.126 175.852 176.300 -0.537 0.000 1.133 118 D CA -0.302 53.578 54.000 -0.199 0.000 0.831 118 D CB -0.125 40.634 40.800 -0.069 0.000 0.962 118 D HN 0.694 nan 8.370 nan 0.000 0.502 119 W N 1.081 122.073 121.300 -0.513 0.000 2.316 119 W HA 0.127 4.786 4.660 -0.001 0.000 0.311 119 W C -0.432 175.741 176.519 -0.575 0.000 1.217 119 W CA 0.015 57.035 57.345 -0.541 0.000 1.199 119 W CB 0.473 29.667 29.460 -0.443 0.000 1.202 119 W HN 0.071 nan 8.180 nan 0.000 0.528 120 H N 3.846 122.299 119.070 -1.029 0.000 2.512 120 H HA 0.290 4.845 4.556 -0.001 0.000 0.276 120 H C 1.071 175.784 175.328 -1.025 0.000 1.126 120 H CA 0.202 55.763 56.048 -0.811 0.000 1.060 120 H CB 0.492 29.957 29.762 -0.494 0.000 1.646 120 H HN 0.735 nan 8.280 nan 0.000 0.571 121 G N 1.220 109.017 108.800 -1.671 0.000 2.693 121 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.226 121 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.226 121 G C -0.752 173.757 174.900 -0.652 0.000 1.354 121 G CA -0.217 44.361 45.100 -0.871 0.000 0.873 121 G HN 0.330 nan 8.290 nan 0.000 0.562 122 I N -0.591 119.881 120.570 -0.164 0.000 2.722 122 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 122 I C -0.115 176.022 176.117 0.033 0.000 1.161 122 I CA -1.088 60.200 61.300 -0.021 0.000 1.032 122 I CB 1.680 39.809 38.000 0.216 0.000 1.244 122 I HN 0.660 nan 8.210 nan 0.000 0.421 123 K N 5.009 125.404 120.400 -0.009 0.000 2.144 123 K HA 0.206 4.526 4.320 -0.000 0.000 0.270 123 K C 0.545 177.165 176.600 0.033 0.000 1.005 123 K CA -0.568 55.724 56.287 0.008 0.000 0.932 123 K CB 1.531 34.010 32.500 -0.035 0.000 1.021 123 K HN 0.478 nan 8.250 nan 0.000 0.462 124 L N 3.200 124.461 121.223 0.063 0.000 2.079 124 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 124 L C 1.944 178.793 176.870 -0.035 0.000 1.081 124 L CA 2.009 56.882 54.840 0.055 0.000 0.752 124 L CB -0.632 41.490 42.059 0.105 0.000 0.896 124 L HN 0.866 nan 8.230 nan 0.000 0.433 125 A N -1.484 121.315 122.820 -0.035 0.000 2.178 125 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 125 A C 1.608 179.141 177.584 -0.085 0.000 1.157 125 A CA 1.624 53.625 52.037 -0.060 0.000 0.689 125 A CB -0.541 18.428 19.000 -0.052 0.000 0.787 125 A HN 0.554 nan 8.150 nan 0.000 0.465 126 D N -1.243 119.104 120.400 -0.088 0.000 2.369 126 D HA 0.136 4.776 4.640 -0.000 0.000 0.211 126 D C -0.272 175.945 176.300 -0.139 0.000 1.077 126 D CA 0.054 53.996 54.000 -0.096 0.000 0.842 126 D CB -0.097 40.662 40.800 -0.069 0.000 0.947 126 D HN 0.281 nan 8.370 nan 0.000 0.509 127 C N 1.408 120.565 119.300 -0.238 0.000 2.499 127 C HA 0.383 4.842 4.460 -0.000 0.000 0.386 127 C C 0.590 175.287 174.990 -0.489 0.000 1.293 127 C CA -0.617 58.101 59.018 -0.499 0.000 1.884 127 C CB 0.579 27.732 27.740 -0.979 0.000 2.509 127 C HN -0.036 nan 8.230 nan 0.000 0.566 128 V N 5.353 125.026 119.914 -0.402 0.000 2.349 128 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 128 V C -0.316 175.641 176.094 -0.228 0.000 1.014 128 V CA -0.293 61.855 62.300 -0.253 0.000 0.826 128 V CB 0.444 32.217 31.823 -0.083 0.000 1.009 128 V HN 0.650 nan 8.190 nan 0.000 0.431 129 F N 3.786 123.718 119.950 -0.031 0.000 2.389 129 F HA 0.461 4.987 4.527 -0.000 0.000 0.337 129 F C -0.151 175.697 175.800 0.079 0.000 1.112 129 F CA -0.457 57.531 58.000 -0.020 0.000 1.192 129 F CB 0.698 39.640 39.000 -0.097 0.000 1.185 129 F HN 0.473 nan 8.300 nan 0.000 0.552 130 Y N 2.073 122.482 120.300 0.181 0.000 2.349 130 Y HA 0.260 4.810 4.550 -0.000 0.000 0.324 130 Y C -0.427 175.483 175.900 0.018 0.000 1.005 130 Y CA -0.867 57.276 58.100 0.072 0.000 1.240 130 Y CB 0.869 39.360 38.460 0.052 0.000 1.117 130 Y HN 0.654 nan 8.280 nan 0.000 0.463 131 E N 5.810 125.875 120.200 -0.225 0.000 2.180 131 E HA 0.447 4.797 4.350 -0.000 0.000 0.283 131 E C -1.173 175.174 176.600 -0.422 0.000 1.061 131 E CA -0.581 55.723 56.400 -0.161 0.000 0.861 131 E CB 0.717 30.441 29.700 0.039 0.000 1.056 131 E HN 0.505 nan 8.360 nan 0.000 0.407 132 V N 2.663 122.426 119.914 -0.252 0.000 2.555 132 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 132 V C -0.533 175.463 176.094 -0.164 0.000 1.038 132 V CA -0.876 61.214 62.300 -0.351 0.000 0.887 132 V CB 1.614 33.102 31.823 -0.558 0.000 0.991 132 V HN 0.733 nan 8.190 nan 0.000 0.434 133 H N 3.795 122.772 119.070 -0.155 0.000 2.581 133 H HA 0.421 4.977 4.556 -0.001 0.000 0.308 133 H C 0.398 175.792 175.328 0.111 0.000 1.040 133 H CA -0.213 55.869 56.048 0.057 0.000 1.231 133 H CB 2.124 32.045 29.762 0.266 0.000 1.396 133 H HN 0.644 nan 8.280 nan 0.000 0.467 134 V N 4.652 124.259 119.914 -0.512 0.000 2.392 134 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 134 V C 2.552 178.445 176.094 -0.334 0.000 1.059 134 V CA 2.221 64.222 62.300 -0.499 0.000 1.051 134 V CB -0.662 30.581 31.823 -0.966 0.000 0.658 134 V HN 0.927 nan 8.190 nan 0.000 0.455 135 G N -0.099 108.494 108.800 -0.345 0.000 2.443 135 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 135 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 135 G C 1.593 176.833 174.900 0.567 0.000 1.131 135 G CA 1.577 46.938 45.100 0.434 0.000 0.775 135 G HN 0.608 nan 8.290 nan 0.000 0.547 136 T N -3.142 111.816 114.554 0.674 0.000 3.001 136 T HA 0.178 4.528 4.350 -0.000 0.000 0.251 136 T C 1.827 176.772 174.700 0.410 0.000 1.040 136 T CA -0.079 62.295 62.100 0.458 0.000 0.985 136 T CB -0.131 69.093 68.868 0.593 0.000 1.011 136 T HN 0.049 nan 8.240 nan 0.000 0.509 137 F N 4.403 124.518 119.950 0.274 0.000 2.269 137 F HA 0.140 4.666 4.527 -0.000 0.000 0.301 137 F C 0.862 176.954 175.800 0.486 0.000 1.082 137 F CA 1.049 59.235 58.000 0.310 0.000 1.360 137 F CB -0.339 38.801 39.000 0.234 0.000 1.041 137 F HN 0.336 nan 8.300 nan 0.000 0.512 138 T N -4.270 110.447 114.554 0.273 0.000 2.883 138 T HA 0.396 4.745 4.350 -0.000 0.000 0.296 138 T C -2.037 172.739 174.700 0.126 0.000 1.117 138 T CA -1.861 60.323 62.100 0.141 0.000 1.006 138 T CB 1.556 70.405 68.868 -0.032 0.000 1.191 138 T HN -0.354 nan 8.240 nan 0.000 0.508 139 P HA -0.091 nan 4.420 nan 0.000 0.215 139 P C 1.131 178.462 177.300 0.052 0.000 1.157 139 P CA 1.302 64.430 63.100 0.046 0.000 0.874 139 P CB 0.065 31.779 31.700 0.024 0.000 0.790 140 E N -1.301 118.925 120.200 0.043 0.000 2.150 140 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 140 E C 1.381 178.048 176.600 0.111 0.000 0.985 140 E CA 1.122 57.558 56.400 0.060 0.000 0.814 140 E CB -0.912 28.806 29.700 0.031 0.000 0.752 140 E HN 0.216 nan 8.360 nan 0.000 0.466 141 G N 1.186 110.060 108.800 0.124 0.000 2.225 141 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 141 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 141 G C 0.202 175.149 174.900 0.079 0.000 1.060 141 G CA 0.593 45.796 45.100 0.173 0.000 0.833 141 G HN 0.418 nan 8.290 nan 0.000 0.498 142 T N -3.984 110.576 114.554 0.011 0.000 2.916 142 T HA 0.653 5.003 4.350 -0.000 0.000 0.292 142 T C 0.969 175.627 174.700 -0.069 0.000 1.064 142 T CA -0.330 61.717 62.100 -0.088 0.000 1.011 142 T CB 1.393 70.256 68.868 -0.009 0.000 1.152 142 T HN 0.148 nan 8.240 nan 0.000 0.510 143 Y N 0.157 120.498 120.300 0.068 0.000 2.181 143 Y HA -0.093 4.457 4.550 -0.001 0.000 0.288 143 Y C 3.037 178.962 175.900 0.042 0.000 1.146 143 Y CA 0.461 58.588 58.100 0.046 0.000 1.164 143 Y CB -0.191 38.301 38.460 0.054 0.000 0.982 143 Y HN 0.367 nan 8.280 nan 0.000 0.515 144 R N 0.380 120.989 120.500 0.180 0.000 2.081 144 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 144 R C 2.443 178.780 176.300 0.061 0.000 1.131 144 R CA 1.240 57.402 56.100 0.103 0.000 0.960 144 R CB -1.063 29.280 30.300 0.072 0.000 0.856 144 R HN 0.404 nan 8.270 nan 0.000 0.436 145 A N 0.959 123.808 122.820 0.048 0.000 1.930 145 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 145 A C 2.374 179.972 177.584 0.024 0.000 1.175 145 A CA 1.569 53.605 52.037 -0.001 0.000 0.627 145 A CB -0.484 18.506 19.000 -0.018 0.000 0.815 145 A HN 0.334 nan 8.150 nan 0.000 0.443 146 A N 0.064 122.976 122.820 0.154 0.000 1.902 146 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 146 A C 2.476 180.194 177.584 0.223 0.000 1.181 146 A CA 2.063 54.302 52.037 0.337 0.000 0.623 146 A CB -0.994 18.224 19.000 0.364 0.000 0.818 146 A HN 1.080 nan 8.150 nan 0.000 0.443 147 A N -0.382 122.512 122.820 0.123 0.000 1.978 147 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 147 A C 1.807 179.410 177.584 0.032 0.000 1.170 147 A CA 1.677 53.754 52.037 0.067 0.000 0.636 147 A CB -0.380 18.645 19.000 0.042 0.000 0.810 147 A HN 0.459 nan 8.150 nan 0.000 0.448 148 E N 0.092 120.288 120.200 -0.007 0.000 2.347 148 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 148 E C 1.132 177.675 176.600 -0.095 0.000 1.008 148 E CA 0.641 57.004 56.400 -0.062 0.000 0.852 148 E CB -0.091 29.546 29.700 -0.106 0.000 0.783 148 E HN 0.466 nan 8.360 nan 0.000 0.505 149 K N 0.342 120.698 120.400 -0.074 0.000 2.404 149 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 149 K C 2.044 178.731 176.600 0.145 0.000 1.023 149 K CA -0.052 56.199 56.287 -0.061 0.000 1.094 149 K CB 0.151 32.545 32.500 -0.175 0.000 0.841 149 K HN 0.178 nan 8.250 nan 0.000 0.523 150 L N 1.067 122.352 121.223 0.103 0.000 2.046 150 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 150 L C -0.698 176.203 176.870 0.052 0.000 1.077 150 L CA 1.425 56.311 54.840 0.077 0.000 0.747 150 L CB -1.489 40.589 42.059 0.031 0.000 0.896 150 L HN 0.052 nan 8.230 nan 0.000 0.432 151 P HA -0.242 nan 4.420 nan 0.000 0.216 151 P C 1.397 178.731 177.300 0.056 0.000 1.150 151 P CA 1.333 64.454 63.100 0.035 0.000 0.837 151 P CB -0.098 31.619 31.700 0.028 0.000 0.786 152 Y N 0.568 120.865 120.300 -0.006 0.000 2.165 152 Y HA -0.202 4.347 4.550 -0.001 0.000 0.286 152 Y C 1.960 177.880 175.900 0.034 0.000 1.155 152 Y CA 1.549 59.666 58.100 0.028 0.000 1.164 152 Y CB -1.117 37.373 38.460 0.050 0.000 0.978 152 Y HN -0.198 nan 8.280 nan 0.000 0.513 153 L N 0.133 121.276 121.223 -0.133 0.000 2.093 153 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 153 L C 2.508 179.248 176.870 -0.217 0.000 1.085 153 L CA 1.685 56.348 54.840 -0.295 0.000 0.755 153 L CB -0.610 41.338 42.059 -0.185 0.000 0.904 153 L HN 0.134 nan 8.230 nan 0.000 0.435 154 K N 0.891 121.225 120.400 -0.111 0.000 2.026 154 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 154 K C 2.003 178.555 176.600 -0.079 0.000 1.048 154 K CA 1.726 57.972 56.287 -0.067 0.000 0.929 154 K CB -0.139 32.344 32.500 -0.028 0.000 0.713 154 K HN 0.087 nan 8.250 nan 0.000 0.439 155 E N 0.163 120.305 120.200 -0.097 0.000 2.106 155 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 155 E C 1.832 178.364 176.600 -0.112 0.000 0.984 155 E CA 1.034 57.387 56.400 -0.079 0.000 0.806 155 E CB -0.474 29.197 29.700 -0.049 0.000 0.750 155 E HN 0.303 nan 8.360 nan 0.000 0.458 156 L N -0.408 120.672 121.223 -0.238 0.000 2.043 156 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 156 L C 1.688 178.515 176.870 -0.071 0.000 1.075 156 L CA 2.537 57.253 54.840 -0.206 0.000 0.752 156 L CB -0.476 41.350 42.059 -0.388 0.000 0.891 156 L HN 0.376 nan 8.230 nan 0.000 0.432 157 G N -1.891 106.865 108.800 -0.073 0.000 2.183 157 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.168 157 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.168 157 G C 0.244 175.139 174.900 -0.009 0.000 1.008 157 G CA 0.118 45.204 45.100 -0.023 0.000 0.677 157 G HN 0.832 nan 8.290 nan 0.000 0.498 158 V N -0.819 119.083 119.914 -0.020 0.000 3.133 158 V HA 0.837 4.956 4.120 -0.000 0.000 0.305 158 V C 1.218 177.310 176.094 -0.004 0.000 1.084 158 V CA 1.196 63.501 62.300 0.009 0.000 1.089 158 V CB 1.380 33.236 31.823 0.056 0.000 1.073 158 V HN 0.977 nan 8.190 nan 0.000 0.477 159 T N -1.923 112.627 114.554 -0.006 0.000 2.975 159 T HA 0.661 5.011 4.350 -0.000 0.000 0.261 159 T C 0.327 175.067 174.700 0.067 0.000 0.984 159 T CA 0.450 62.560 62.100 0.018 0.000 0.911 159 T CB 0.266 69.129 68.868 -0.007 0.000 1.127 159 T HN 1.777 nan 8.240 nan 0.000 0.514 160 A N 1.123 123.974 122.820 0.052 0.000 2.437 160 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 160 A C -1.156 176.598 177.584 0.283 0.000 1.038 160 A CA -0.823 51.327 52.037 0.187 0.000 0.708 160 A CB 1.129 20.145 19.000 0.026 0.000 1.251 160 A HN 0.540 nan 8.150 nan 0.000 0.409 161 I N 1.844 122.608 120.570 0.323 0.000 2.315 161 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 161 I C -0.229 176.096 176.117 0.346 0.000 1.006 161 I CA -0.457 61.016 61.300 0.287 0.000 1.265 161 I CB 1.318 39.411 38.000 0.155 0.000 1.387 161 I HN 0.754 nan 8.210 nan 0.000 0.475 162 Q N 7.223 127.186 119.800 0.272 0.000 2.430 162 Q HA 0.381 4.721 4.340 -0.000 0.000 0.245 162 Q C -1.469 174.595 176.000 0.107 0.000 1.021 162 Q CA -0.388 55.533 55.803 0.196 0.000 0.867 162 Q CB 1.111 29.908 28.738 0.099 0.000 1.210 162 Q HN 0.567 nan 8.270 nan 0.000 0.487 166 L N -0.174 120.981 121.223 -0.113 0.000 2.731 166 L HA 0.473 4.812 4.340 -0.000 0.000 0.240 166 L C 0.928 177.955 176.870 0.262 0.000 1.120 166 L CA -0.182 54.752 54.840 0.156 0.000 0.913 166 L CB 0.222 42.336 42.059 0.092 0.000 1.213 166 L HN 0.556 nan 8.230 nan 0.000 0.515 167 A N 1.360 124.305 122.820 0.208 0.000 2.511 167 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 167 A C 0.783 178.565 177.584 0.329 0.000 1.069 167 A CA 0.103 52.354 52.037 0.356 0.000 0.763 167 A CB 0.134 19.331 19.000 0.329 0.000 1.001 167 A HN 0.270 nan 8.150 nan 0.000 0.498 168 A N 2.143 125.151 122.820 0.312 0.000 2.546 168 A HA 0.490 4.809 4.320 -0.000 0.000 0.243 168 A C 0.017 177.724 177.584 0.206 0.000 1.063 168 A CA 0.364 52.511 52.037 0.184 0.000 0.757 168 A CB -0.697 18.384 19.000 0.135 0.000 0.991 168 A HN 1.478 nan 8.150 nan 0.000 0.503 169 F N 0.040 120.048 119.950 0.097 0.000 2.631 169 F HA 0.724 5.250 4.527 -0.000 0.000 0.328 169 F C -0.337 175.512 175.800 0.082 0.000 1.067 169 F CA -1.768 56.260 58.000 0.047 0.000 0.969 169 F CB 0.787 39.743 39.000 -0.073 0.000 1.332 169 F HN 0.405 nan 8.300 nan 0.000 0.490 170 D N 0.068 120.652 120.400 0.307 0.000 2.313 170 D HA 0.507 5.147 4.640 -0.000 0.000 0.247 170 D C 0.374 176.751 176.300 0.128 0.000 1.094 170 D CA 1.463 55.569 54.000 0.177 0.000 0.925 170 D CB 1.390 42.359 40.800 0.282 0.000 1.188 170 D HN 1.136 nan 8.370 nan 0.000 0.430 171 G N 2.112 110.957 108.800 0.076 0.000 2.712 171 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.683 171 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.683 171 G C 0.130 175.081 174.900 0.084 0.000 1.320 171 G CA -0.408 44.721 45.100 0.047 0.000 0.847 171 G HN 0.435 nan 8.290 nan 0.000 0.553 172 Q N -0.015 119.811 119.800 0.043 0.000 2.282 172 Q HA 0.136 4.475 4.340 -0.000 0.000 0.206 172 Q C 1.380 177.394 176.000 0.023 0.000 0.878 172 Q CA 1.078 56.886 55.803 0.009 0.000 0.944 172 Q CB 0.547 29.257 28.738 -0.046 0.000 1.100 172 Q HN 0.831 nan 8.270 nan 0.000 0.509 173 R N -1.714 118.817 120.500 0.052 0.000 2.716 173 R HA 0.781 5.121 4.340 -0.000 0.000 0.271 173 R C -0.670 175.807 176.300 0.294 0.000 1.028 173 R CA -0.454 55.662 56.100 0.028 0.000 0.883 173 R CB 0.865 30.611 30.300 -0.923 0.000 1.250 173 R HN -0.032 nan 8.270 nan 0.000 0.465 174 G N -0.547 108.524 108.800 0.453 0.000 2.355 174 G HA2 0.302 4.262 3.960 -0.000 0.000 0.296 174 G HA3 0.302 4.262 3.960 -0.000 0.000 0.296 174 G C -1.057 173.892 174.900 0.082 0.000 1.507 174 G CA -0.730 44.331 45.100 -0.067 0.000 0.823 174 G HN 0.430 nan 8.290 nan 0.000 0.569 175 W N 0.108 121.074 121.300 -0.556 0.000 2.388 175 W HA 0.287 4.947 4.660 -0.000 0.000 0.294 175 W C 2.111 178.442 176.519 -0.313 0.000 1.212 175 W CA 2.129 59.307 57.345 -0.277 0.000 1.271 175 W CB -0.181 29.188 29.460 -0.152 0.000 1.126 175 W HN 1.779 nan 8.180 nan 0.000 0.535 176 G N -3.187 105.290 108.800 -0.537 0.000 2.367 176 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.181 176 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.181 176 G C 0.580 175.053 174.900 -0.711 0.000 1.000 176 G CA -0.022 44.663 45.100 -0.692 0.000 0.693 176 G HN 0.234 nan 8.290 nan 0.000 0.480 177 Y N 1.780 121.965 120.300 -0.191 0.000 2.529 177 Y HA 0.256 4.806 4.550 -0.001 0.000 0.290 177 Y C 1.555 177.424 175.900 -0.052 0.000 1.177 177 Y CA 0.668 58.688 58.100 -0.133 0.000 1.305 177 Y CB 0.312 38.715 38.460 -0.096 0.000 1.047 177 Y HN 0.137 nan 8.280 nan 0.000 0.522 178 D N -0.282 120.088 120.400 -0.050 0.000 2.342 178 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 178 D C 1.143 177.558 176.300 0.193 0.000 1.101 178 D CA 0.106 54.179 54.000 0.121 0.000 0.837 178 D CB -0.101 40.813 40.800 0.191 0.000 0.938 178 D HN 0.233 nan 8.370 nan 0.000 0.508 179 G N 0.422 109.298 108.800 0.126 0.000 2.287 179 G HA2 0.230 4.190 3.960 -0.000 0.000 0.235 179 G HA3 0.230 4.190 3.960 -0.000 0.000 0.235 179 G C 0.777 175.955 174.900 0.463 0.000 1.258 179 G CA 0.305 45.590 45.100 0.309 0.000 0.884 179 G HN 0.203 nan 8.290 nan 0.000 0.518 180 A N 1.903 125.029 122.820 0.510 0.000 2.140 180 A HA 0.704 5.024 4.320 -0.000 0.000 0.199 180 A C 1.348 179.230 177.584 0.496 0.000 1.416 180 A CA 1.039 53.383 52.037 0.512 0.000 1.018 180 A CB 0.409 19.600 19.000 0.319 0.000 1.117 180 A HN 1.702 nan 8.150 nan 0.000 0.480 181 A N -0.046 123.067 122.820 0.488 0.000 2.508 181 A HA 0.622 4.941 4.320 -0.000 0.000 0.336 181 A C 0.112 178.073 177.584 0.628 0.000 1.360 181 A CA -0.547 51.766 52.037 0.459 0.000 0.841 181 A CB -0.335 18.852 19.000 0.312 0.000 1.136 181 A HN 0.188 nan 8.150 nan 0.000 0.489 182 F N 0.377 120.624 119.950 0.496 0.000 2.365 182 F HA -0.059 4.468 4.527 -0.001 0.000 0.300 182 F C 1.159 177.073 175.800 0.191 0.000 1.090 182 F CA 1.194 59.398 58.000 0.339 0.000 1.408 182 F CB -0.693 38.487 39.000 0.301 0.000 1.060 182 F HN 0.770 nan 8.300 nan 0.000 0.534 183 Y N -0.684 119.776 120.300 0.267 0.000 2.466 183 Y HA 0.432 4.981 4.550 -0.001 0.000 0.272 183 Y C 1.061 177.023 175.900 0.103 0.000 1.169 183 Y CA 0.006 58.117 58.100 0.018 0.000 1.285 183 Y CB -0.035 38.436 38.460 0.018 0.000 1.078 183 Y HN -0.113 nan 8.280 nan 0.000 0.523 184 A N 1.386 124.442 122.820 0.393 0.000 2.277 184 A HA 0.498 4.818 4.320 -0.000 0.000 0.318 184 A C -2.753 175.098 177.584 0.445 0.000 1.339 184 A CA -1.889 50.385 52.037 0.395 0.000 0.875 184 A CB 0.120 19.295 19.000 0.291 0.000 1.158 184 A HN -0.105 nan 8.150 nan 0.000 0.514 185 P HA -0.009 nan 4.420 nan 0.000 0.268 185 P C -0.542 177.060 177.300 0.503 0.000 1.204 185 P CA 0.213 63.664 63.100 0.584 0.000 0.768 185 P CB 0.115 32.154 31.700 0.566 0.000 0.842 186 Y N 3.728 124.141 120.300 0.188 0.000 2.745 186 Y HA 0.089 4.639 4.550 -0.000 0.000 0.335 186 Y C 1.530 177.351 175.900 -0.132 0.000 1.212 186 Y CA -0.167 57.828 58.100 -0.176 0.000 1.535 186 Y CB -0.067 38.073 38.460 -0.534 0.000 1.220 186 Y HN 0.561 nan 8.280 nan 0.000 0.531 187 A N 7.411 129.949 122.820 -0.471 0.000 1.940 187 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 187 A C -0.296 177.081 177.584 -0.345 0.000 1.176 187 A CA 1.459 53.334 52.037 -0.271 0.000 0.631 187 A CB -1.658 17.078 19.000 -0.439 0.000 0.814 187 A HN 0.727 nan 8.150 nan 0.000 0.446 188 P HA -0.153 nan 4.420 nan 0.000 0.221 188 P C 0.837 178.034 177.300 -0.171 0.000 1.145 188 P CA 1.036 63.847 63.100 -0.481 0.000 0.795 188 P CB -0.192 31.102 31.700 -0.676 0.000 0.775 189 Y N -1.379 118.742 120.300 -0.299 0.000 2.457 189 Y HA 0.191 4.741 4.550 -0.000 0.000 0.292 189 Y C 1.498 177.080 175.900 -0.528 0.000 1.125 189 Y CA -0.176 57.657 58.100 -0.445 0.000 1.254 189 Y CB 0.178 38.222 38.460 -0.693 0.000 1.012 189 Y HN -0.013 nan 8.280 nan 0.000 0.555 190 G N 0.132 108.931 108.800 -0.003 0.000 2.359 190 G HA2 0.081 4.040 3.960 -0.000 0.000 0.314 190 G HA3 0.081 4.040 3.960 -0.000 0.000 0.314 190 G C -1.445 173.639 174.900 0.306 0.000 1.364 190 G CA -1.207 43.996 45.100 0.171 0.000 0.978 190 G HN -0.027 nan 8.290 nan 0.000 0.615 191 R N 0.617 121.198 120.500 0.135 0.000 2.583 191 R HA 0.403 4.743 4.340 -0.000 0.000 0.268 191 R C -1.479 174.732 176.300 -0.148 0.000 1.101 191 R CA -1.248 54.709 56.100 -0.238 0.000 1.180 191 R CB 0.761 30.909 30.300 -0.252 0.000 1.128 191 R HN 0.249 nan 8.270 nan 0.000 0.568 192 P HA -0.270 nan 4.420 nan 0.000 0.216 192 P C 0.775 178.063 177.300 -0.019 0.000 1.153 192 P CA 1.600 64.709 63.100 0.014 0.000 0.858 192 P CB 0.039 31.711 31.700 -0.047 0.000 0.789 193 E N -0.602 119.513 120.200 -0.141 0.000 2.204 193 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 193 E C 1.162 177.662 176.600 -0.166 0.000 0.990 193 E CA 1.174 57.457 56.400 -0.194 0.000 0.821 193 E CB -0.901 28.780 29.700 -0.030 0.000 0.750 193 E HN 0.245 nan 8.360 nan 0.000 0.477 194 D N 0.943 121.327 120.400 -0.027 0.000 2.149 194 D HA -0.048 4.591 4.640 -0.000 0.000 0.201 194 D C 1.220 177.505 176.300 -0.024 0.000 0.972 194 D CA 0.355 54.397 54.000 0.070 0.000 0.835 194 D CB -0.197 40.747 40.800 0.240 0.000 0.966 194 D HN 0.169 nan 8.370 nan 0.000 0.476 198 L N 1.202 122.348 121.223 -0.129 0.000 2.017 198 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 198 L C 2.154 178.915 176.870 -0.182 0.000 1.073 198 L CA 2.839 57.614 54.840 -0.108 0.000 0.745 198 L CB -0.577 41.426 42.059 -0.094 0.000 0.894 198 L HN 0.242 nan 8.230 nan 0.000 0.432 199 V N -0.077 119.678 119.914 -0.265 0.000 2.343 199 V HA -0.296 3.823 4.120 -0.000 0.000 0.247 199 V C 2.338 178.212 176.094 -0.366 0.000 1.051 199 V CA 1.985 64.042 62.300 -0.404 0.000 1.036 199 V CB -0.824 30.751 31.823 -0.414 0.000 0.654 199 V HN 0.549 nan 8.190 nan 0.000 0.451 200 D N 0.154 120.543 120.400 -0.018 0.000 2.123 200 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 200 D C 2.113 178.417 176.300 0.007 0.000 0.992 200 D CA 1.514 55.604 54.000 0.149 0.000 0.833 200 D CB -0.141 40.828 40.800 0.283 0.000 0.954 200 D HN 0.386 nan 8.370 nan 0.000 0.455 201 A N 0.288 123.084 122.820 -0.040 0.000 1.930 201 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 201 A C 2.326 179.859 177.584 -0.085 0.000 1.175 201 A CA 1.966 53.979 52.037 -0.040 0.000 0.627 201 A CB -0.964 18.020 19.000 -0.027 0.000 0.815 201 A HN 0.308 nan 8.150 nan 0.000 0.443 202 A N -0.791 121.932 122.820 -0.162 0.000 1.877 202 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 202 A C 2.043 179.487 177.584 -0.234 0.000 1.186 202 A CA 1.812 53.737 52.037 -0.186 0.000 0.620 202 A CB -0.919 17.940 19.000 -0.234 0.000 0.822 202 A HN 0.596 nan 8.150 nan 0.000 0.443 203 H N -0.653 118.165 119.070 -0.420 0.000 2.387 203 H HA -0.083 4.472 4.556 -0.001 0.000 0.299 203 H C 2.082 177.187 175.328 -0.372 0.000 1.090 203 H CA 1.513 57.115 56.048 -0.742 0.000 1.332 203 H CB -0.367 28.956 29.762 -0.732 0.000 1.386 203 H HN 0.528 nan 8.280 nan 0.000 0.516 204 R N 0.810 121.285 120.500 -0.041 0.000 2.127 204 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 204 R C 1.560 177.856 176.300 -0.007 0.000 1.134 204 R CA 0.991 57.093 56.100 0.003 0.000 0.975 204 R CB -0.223 30.087 30.300 0.017 0.000 0.865 204 R HN 0.285 nan 8.270 nan 0.000 0.447 205 L N -0.368 120.832 121.223 -0.038 0.000 2.591 205 L HA 0.184 4.523 4.340 -0.000 0.000 0.228 205 L C 1.077 177.944 176.870 -0.005 0.000 1.133 205 L CA 0.524 55.354 54.840 -0.017 0.000 0.880 205 L CB 0.392 42.438 42.059 -0.022 0.000 1.033 205 L HN 0.530 nan 8.230 nan 0.000 0.450 206 G N 0.557 109.333 108.800 -0.040 0.000 2.137 206 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 206 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 206 G C 0.027 174.962 174.900 0.057 0.000 1.002 206 G CA -0.205 44.944 45.100 0.082 0.000 0.702 206 G HN 0.226 nan 8.290 nan 0.000 0.515 207 L N 0.740 121.894 121.223 -0.115 0.000 2.307 207 L HA 0.672 5.012 4.340 -0.000 0.000 0.282 207 L C 1.317 178.185 176.870 -0.003 0.000 1.051 207 L CA -0.484 54.357 54.840 0.002 0.000 0.804 207 L CB 1.487 43.542 42.059 -0.006 0.000 1.197 207 L HN 0.189 nan 8.230 nan 0.000 0.431 208 G N 2.040 111.022 108.800 0.303 0.000 2.539 208 G HA2 0.493 4.453 3.960 -0.000 0.000 0.258 208 G HA3 0.493 4.453 3.960 -0.000 0.000 0.258 208 G C -0.711 174.451 174.900 0.437 0.000 1.202 208 G CA -0.269 45.136 45.100 0.509 0.000 0.851 208 G HN 0.344 nan 8.290 nan 0.000 0.556 209 V N 0.824 121.008 119.914 0.450 0.000 2.569 209 V HA 0.490 4.610 4.120 -0.000 0.000 0.301 209 V C -0.915 175.510 176.094 0.552 0.000 1.044 209 V CA -0.608 61.932 62.300 0.400 0.000 0.874 209 V CB 1.197 33.022 31.823 0.003 0.000 1.002 209 V HN 0.624 nan 8.190 nan 0.000 0.424 210 F N 4.091 124.281 119.950 0.400 0.000 2.538 210 F HA 0.781 5.307 4.527 -0.001 0.000 0.325 210 F C -0.335 175.512 175.800 0.078 0.000 1.066 210 F CA -0.996 57.178 58.000 0.289 0.000 0.946 210 F CB 2.179 41.307 39.000 0.213 0.000 1.199 210 F HN 0.355 nan 8.300 nan 0.000 0.473 211 L N 2.386 123.518 121.223 -0.152 0.000 2.362 211 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 211 L C -0.874 175.717 176.870 -0.465 0.000 0.998 211 L CA -0.473 54.020 54.840 -0.578 0.000 0.820 211 L CB 1.360 42.523 42.059 -1.493 0.000 1.270 211 L HN 0.425 nan 8.230 nan 0.000 0.415 212 D N 3.459 123.610 120.400 -0.415 0.000 2.343 212 D HA 0.367 5.007 4.640 -0.000 0.000 0.255 212 D C -0.718 175.251 176.300 -0.552 0.000 1.187 212 D CA 0.218 53.974 54.000 -0.406 0.000 0.875 212 D CB 0.977 41.600 40.800 -0.295 0.000 1.136 212 D HN 0.416 nan 8.370 nan 0.000 0.469 213 V N 1.299 120.850 119.914 -0.604 0.000 2.914 213 V HA 0.665 4.784 4.120 -0.000 0.000 0.314 213 V C -0.399 175.215 176.094 -0.801 0.000 1.084 213 V CA -0.893 60.929 62.300 -0.797 0.000 0.963 213 V CB 2.067 33.286 31.823 -1.006 0.000 1.025 213 V HN 0.184 nan 8.190 nan 0.000 0.432 214 V N 4.872 124.279 119.914 -0.844 0.000 2.289 214 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 214 V C -0.681 175.205 176.094 -0.346 0.000 1.026 214 V CA -0.123 61.857 62.300 -0.534 0.000 0.807 214 V CB 0.369 31.911 31.823 -0.468 0.000 1.044 214 V HN 0.927 nan 8.190 nan 0.000 0.443 215 Y N 2.607 122.864 120.300 -0.072 0.000 2.607 215 Y HA 0.159 4.708 4.550 -0.001 0.000 0.266 215 Y C 1.592 177.696 175.900 0.339 0.000 1.178 215 Y CA -1.091 57.114 58.100 0.175 0.000 1.226 215 Y CB -0.621 37.955 38.460 0.193 0.000 1.144 215 Y HN 0.801 nan 8.280 nan 0.000 0.528 216 N N -0.524 118.431 118.700 0.425 0.000 2.322 216 N HA -0.005 4.734 4.740 -0.000 0.000 0.181 216 N C 0.251 176.121 175.510 0.601 0.000 1.088 216 N CA 0.324 53.694 53.050 0.533 0.000 0.885 216 N CB 0.303 39.125 38.487 0.557 0.000 1.013 216 N HN 0.228 nan 8.380 nan 0.000 0.472 217 H N -2.307 116.989 119.070 0.376 0.000 3.037 217 H HA 0.314 4.870 4.556 -0.000 0.000 0.336 217 H C -1.854 173.645 175.328 0.285 0.000 1.323 217 H CA -1.064 55.214 56.048 0.384 0.000 1.159 217 H CB 0.174 30.189 29.762 0.421 0.000 1.882 217 H HN -0.116 nan 8.280 nan 0.000 0.535 218 F N 0.640 120.766 119.950 0.294 0.000 2.425 218 F HA 0.526 5.052 4.527 -0.001 0.000 0.331 218 F C 1.460 177.410 175.800 0.250 0.000 1.085 218 F CA 0.162 58.281 58.000 0.199 0.000 1.028 218 F CB 1.791 40.821 39.000 0.050 0.000 1.177 218 F HN 0.777 nan 8.300 nan 0.000 0.487 219 G N 1.643 110.673 108.800 0.383 0.000 2.667 219 G HA2 0.254 4.213 3.960 -0.000 0.000 0.250 219 G HA3 0.254 4.213 3.960 -0.000 0.000 0.250 219 G C -1.846 173.189 174.900 0.225 0.000 1.212 219 G CA -0.945 44.354 45.100 0.332 0.000 0.874 219 G HN 0.496 nan 8.290 nan 0.000 0.561 220 P HA 0.089 nan 4.420 nan 0.000 0.245 220 P C 0.306 177.598 177.300 -0.013 0.000 1.206 220 P CA 0.478 63.584 63.100 0.009 0.000 0.781 220 P CB 0.766 32.414 31.700 -0.086 0.000 0.994 221 S N -0.900 114.843 115.700 0.072 0.000 2.571 221 S HA 0.571 5.041 4.470 -0.000 0.000 0.284 221 S C 0.614 175.284 174.600 0.115 0.000 1.128 221 S CA 0.214 58.491 58.200 0.129 0.000 0.970 221 S CB 0.731 64.085 63.200 0.257 0.000 1.039 221 S HN 0.257 nan 8.310 nan 0.000 0.485 222 G N 3.658 112.469 108.800 0.020 0.000 2.176 222 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.232 222 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.232 222 G C -0.173 174.703 174.900 -0.041 0.000 0.986 222 G CA 0.045 45.128 45.100 -0.028 0.000 0.643 222 G HN 0.890 nan 8.290 nan 0.000 0.522 223 N N 0.062 118.651 118.700 -0.184 0.000 2.500 223 N HA 0.519 5.259 4.740 -0.000 0.000 0.236 223 N C 0.349 175.658 175.510 -0.335 0.000 1.022 223 N CA -0.733 52.198 53.050 -0.199 0.000 0.935 223 N CB 0.152 38.505 38.487 -0.224 0.000 1.147 223 N HN 0.224 nan 8.380 nan 0.000 0.512 224 Y N 2.647 122.929 120.300 -0.030 0.000 2.524 224 Y HA 0.272 4.822 4.550 -0.000 0.000 0.266 224 Y C 1.549 177.519 175.900 0.116 0.000 1.180 224 Y CA -0.197 57.944 58.100 0.069 0.000 1.244 224 Y CB 0.249 38.816 38.460 0.179 0.000 1.125 224 Y HN 0.491 nan 8.280 nan 0.000 0.524 225 L N -1.150 120.076 121.223 0.005 0.000 2.079 225 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 225 L C 2.577 179.581 176.870 0.223 0.000 1.081 225 L CA 1.668 56.457 54.840 -0.085 0.000 0.752 225 L CB -0.422 41.234 42.059 -0.672 0.000 0.896 225 L HN 0.196 nan 8.230 nan 0.000 0.433 226 S N -1.096 114.754 115.700 0.250 0.000 2.447 226 S HA -0.144 4.325 4.470 -0.000 0.000 0.233 226 S C 2.122 176.795 174.600 0.122 0.000 1.006 226 S CA 1.334 59.672 58.200 0.229 0.000 0.957 226 S CB -0.060 63.225 63.200 0.141 0.000 0.773 226 S HN 0.409 nan 8.310 nan 0.000 0.507 227 S N -0.013 115.760 115.700 0.122 0.000 2.423 227 S HA -0.019 4.450 4.470 -0.000 0.000 0.231 227 S C 1.270 175.769 174.600 -0.169 0.000 1.014 227 S CA 1.103 59.291 58.200 -0.020 0.000 0.965 227 S CB -0.318 62.867 63.200 -0.024 0.000 0.785 227 S HN 0.728 nan 8.310 nan 0.000 0.495 228 Y N 0.931 121.226 120.300 -0.007 0.000 2.262 228 Y HA 0.422 4.971 4.550 -0.001 0.000 0.295 228 Y C 1.006 176.742 175.900 -0.273 0.000 1.121 228 Y CA 0.484 58.524 58.100 -0.100 0.000 1.144 228 Y CB 0.180 38.645 38.460 0.008 0.000 1.043 228 Y HN 0.212 nan 8.280 nan 0.000 0.528 229 A N -0.715 122.085 122.820 -0.034 0.000 2.509 229 A HA 0.423 4.742 4.320 -0.000 0.000 0.282 229 A C -2.453 175.121 177.584 -0.017 0.000 1.054 229 A CA -1.135 50.717 52.037 -0.308 0.000 0.820 229 A CB 0.697 19.016 19.000 -1.135 0.000 1.333 229 A HN -0.055 nan 8.150 nan 0.000 0.409 230 P HA -0.164 nan 4.420 nan 0.000 0.221 230 P C 1.471 178.843 177.300 0.120 0.000 1.145 230 P CA 2.009 65.174 63.100 0.108 0.000 0.795 230 P CB 0.226 31.957 31.700 0.052 0.000 0.775 231 S N -3.139 112.585 115.700 0.040 0.000 2.607 231 S HA -0.092 4.377 4.470 -0.000 0.000 0.224 231 S C 1.502 176.110 174.600 0.013 0.000 0.969 231 S CA 0.198 58.432 58.200 0.057 0.000 0.927 231 S CB -1.423 61.843 63.200 0.109 0.000 0.772 231 S HN 0.102 nan 8.310 nan 0.000 0.533 232 Y N 1.298 121.529 120.300 -0.115 0.000 2.315 232 Y HA 0.130 4.680 4.550 -0.001 0.000 0.288 232 Y C 0.595 176.023 175.900 -0.786 0.000 1.154 232 Y CA 0.610 58.420 58.100 -0.483 0.000 1.229 232 Y CB -0.235 37.685 38.460 -0.899 0.000 0.980 232 Y HN 0.291 nan 8.280 nan 0.000 0.540 233 F N -2.034 117.985 119.950 0.116 0.000 2.575 233 F HA 0.556 5.083 4.527 -0.001 0.000 0.330 233 F C 0.315 176.081 175.800 -0.057 0.000 1.056 233 F CA -1.357 56.647 58.000 0.006 0.000 0.964 233 F CB 1.534 40.525 39.000 -0.015 0.000 1.258 233 F HN -0.518 nan 8.300 nan 0.000 0.484 234 T N -0.631 113.945 114.554 0.036 0.000 2.916 234 T HA 0.292 4.642 4.350 -0.000 0.000 0.305 234 T C -0.374 174.203 174.700 -0.205 0.000 1.119 234 T CA -0.694 61.333 62.100 -0.121 0.000 1.008 234 T CB 1.089 69.817 68.868 -0.233 0.000 1.129 234 T HN 0.678 nan 8.240 nan 0.000 0.480 235 D N 2.471 122.787 120.400 -0.140 0.000 2.319 235 D HA 0.047 4.687 4.640 -0.000 0.000 0.230 235 D C 1.504 177.716 176.300 -0.147 0.000 1.094 235 D CA -0.152 53.771 54.000 -0.129 0.000 0.856 235 D CB -0.084 40.679 40.800 -0.062 0.000 0.915 235 D HN 0.529 nan 8.370 nan 0.000 0.517 236 R N -0.223 120.136 120.500 -0.235 0.000 2.096 236 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 236 R C -0.118 176.191 176.300 0.016 0.000 1.127 236 R CA 1.004 57.046 56.100 -0.097 0.000 0.968 236 R CB 0.018 30.313 30.300 -0.009 0.000 0.861 236 R HN 0.292 nan 8.270 nan 0.000 0.440 237 F N -3.649 116.342 119.950 0.069 0.000 2.711 237 F HA 0.689 5.216 4.527 -0.001 0.000 0.313 237 F C -1.178 174.665 175.800 0.072 0.000 1.141 237 F CA -1.274 56.767 58.000 0.069 0.000 0.941 237 F CB 1.376 40.434 39.000 0.096 0.000 1.349 237 F HN -0.339 nan 8.300 nan 0.000 0.464 238 S N -0.123 115.767 115.700 0.317 0.000 2.570 238 S HA 0.702 5.172 4.470 -0.000 0.000 0.270 238 S C -0.984 173.691 174.600 0.124 0.000 1.149 238 S CA -0.617 57.696 58.200 0.188 0.000 0.837 238 S CB 1.764 64.983 63.200 0.032 0.000 1.124 238 S HN 1.044 nan 8.310 nan 0.000 0.465 239 S N 0.869 116.593 115.700 0.040 0.000 2.719 239 S HA 0.759 5.228 4.470 -0.000 0.000 0.285 239 S C 1.194 175.478 174.600 -0.527 0.000 1.137 239 S CA -0.168 57.875 58.200 -0.262 0.000 1.012 239 S CB 0.791 63.942 63.200 -0.082 0.000 1.134 239 S HN 1.000 nan 8.310 nan 0.000 0.544 240 A N -0.534 121.621 122.820 -1.107 0.000 2.172 240 A HA 0.112 4.431 4.320 -0.000 0.000 0.216 240 A C 1.246 178.237 177.584 -0.989 0.000 1.154 240 A CA 0.452 51.790 52.037 -1.166 0.000 0.701 240 A CB -0.727 17.331 19.000 -1.570 0.000 0.789 240 A HN 0.874 nan 8.150 nan 0.000 0.465 241 W N -1.610 119.485 121.300 -0.341 0.000 2.871 241 W HA 0.449 5.109 4.660 0.001 0.000 0.340 241 W C 0.621 177.011 176.519 -0.216 0.000 1.058 241 W CA 0.375 57.482 57.345 -0.396 0.000 1.633 241 W CB -0.081 28.843 29.460 -0.893 0.000 1.067 241 W HN 0.402 nan 8.180 nan 0.000 0.554 245 L N 2.137 123.622 121.223 0.437 0.000 2.313 245 L HA 0.350 4.690 4.340 -0.000 0.000 0.282 245 L C 0.193 177.033 176.870 -0.050 0.000 1.092 245 L CA -0.550 54.409 54.840 0.198 0.000 0.831 245 L CB 1.297 43.396 42.059 0.067 0.000 1.159 245 L HN 0.523 nan 8.230 nan 0.000 0.442 246 D N 2.407 122.737 120.400 -0.115 0.000 2.422 246 D HA 0.026 4.666 4.640 -0.000 0.000 0.227 246 D C 0.373 176.642 176.300 -0.052 0.000 1.190 246 D CA -0.101 53.887 54.000 -0.021 0.000 0.905 246 D CB 0.328 41.119 40.800 -0.015 0.000 1.034 246 D HN 0.322 nan 8.370 nan 0.000 0.507 247 Y N 1.663 122.101 120.300 0.229 0.000 2.578 247 Y HA 0.127 4.677 4.550 -0.000 0.000 0.297 247 Y C 2.152 178.095 175.900 0.071 0.000 1.176 247 Y CA 0.221 58.396 58.100 0.125 0.000 1.315 247 Y CB -0.210 38.292 38.460 0.071 0.000 1.031 247 Y HN 0.523 nan 8.280 nan 0.000 0.524 248 A N -0.401 122.532 122.820 0.187 0.000 2.167 248 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 248 A C 0.846 178.466 177.584 0.060 0.000 1.151 248 A CA 0.442 52.545 52.037 0.110 0.000 0.735 248 A CB -0.267 18.793 19.000 0.101 0.000 0.802 248 A HN 0.183 nan 8.150 nan 0.000 0.467 249 E N 0.312 120.544 120.200 0.054 0.000 2.081 249 E HA 0.367 4.717 4.350 -0.000 0.000 0.281 249 E C -2.071 174.511 176.600 -0.030 0.000 0.986 249 E CA -2.790 53.604 56.400 -0.010 0.000 0.796 249 E CB 1.033 30.727 29.700 -0.008 0.000 1.085 249 E HN 0.039 nan 8.360 nan 0.000 0.398 250 P HA -0.152 nan 4.420 nan 0.000 0.217 250 P C -0.007 177.188 177.300 -0.175 0.000 1.148 250 P CA 1.153 64.152 63.100 -0.168 0.000 0.828 250 P CB 0.040 31.560 31.700 -0.300 0.000 0.783 254 R N 0.446 121.135 120.500 0.314 0.000 2.148 254 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 254 R C 1.766 178.388 176.300 0.537 0.000 1.088 254 R CA 1.455 57.778 56.100 0.372 0.000 0.985 254 R CB -0.160 30.263 30.300 0.204 0.000 0.880 254 R HN 0.171 nan 8.270 nan 0.000 0.451 255 Y N 1.372 121.957 120.300 0.475 0.000 2.128 255 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 255 Y C 2.213 178.307 175.900 0.324 0.000 1.154 255 Y CA 1.964 60.367 58.100 0.504 0.000 1.149 255 Y CB -0.096 38.591 38.460 0.379 0.000 0.976 255 Y HN -0.077 nan 8.280 nan 0.000 0.505 256 V N -2.586 117.511 119.914 0.304 0.000 2.535 256 V HA -0.114 4.005 4.120 -0.000 0.000 0.246 256 V C 2.146 178.097 176.094 -0.239 0.000 1.045 256 V CA 1.906 64.072 62.300 -0.224 0.000 1.058 256 V CB -1.465 30.022 31.823 -0.561 0.000 0.689 256 V HN 0.554 nan 8.190 nan 0.000 0.461 257 T N -1.273 113.302 114.554 0.034 0.000 2.867 257 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 257 T C 2.044 176.741 174.700 -0.004 0.000 1.057 257 T CA 1.502 63.655 62.100 0.089 0.000 1.136 257 T CB -0.969 68.047 68.868 0.246 0.000 0.874 257 T HN 0.646 nan 8.240 nan 0.000 0.466 258 G N 1.339 110.131 108.800 -0.013 0.000 2.422 258 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 258 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 258 G C 1.645 176.462 174.900 -0.140 0.000 1.140 258 G CA 0.675 45.590 45.100 -0.308 0.000 0.775 258 G HN 0.612 nan 8.290 nan 0.000 0.545 259 N N 1.086 119.605 118.700 -0.301 0.000 2.106 259 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 259 N C 2.574 177.949 175.510 -0.225 0.000 1.029 259 N CA 1.248 53.886 53.050 -0.687 0.000 0.848 259 N CB -0.160 37.885 38.487 -0.736 0.000 1.007 259 N HN 0.221 nan 8.380 nan 0.000 0.423 260 A N 1.819 124.648 122.820 0.016 0.000 1.908 260 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 260 A C 1.530 179.137 177.584 0.038 0.000 1.181 260 A CA 0.775 52.910 52.037 0.163 0.000 0.627 260 A CB -0.447 18.653 19.000 0.167 0.000 0.818 260 A HN 0.356 nan 8.150 nan 0.000 0.445 264 L N 0.893 122.279 121.223 0.272 0.000 2.044 264 L HA 0.002 4.341 4.340 -0.000 0.000 0.205 264 L C 2.556 179.444 176.870 0.029 0.000 1.075 264 L CA 1.666 56.553 54.840 0.080 0.000 0.747 264 L CB -0.675 41.197 42.059 -0.312 0.000 0.903 264 L HN 0.004 nan 8.230 nan 0.000 0.435 265 R N 0.108 120.584 120.500 -0.041 0.000 2.055 265 R HA -0.117 4.222 4.340 -0.000 0.000 0.226 265 R C 1.703 178.028 176.300 0.042 0.000 1.135 265 R CA 1.640 57.714 56.100 -0.044 0.000 0.959 265 R CB 0.008 30.256 30.300 -0.086 0.000 0.854 265 R HN 0.296 nan 8.270 nan 0.000 0.431 266 D N -0.837 119.533 120.400 -0.050 0.000 2.271 266 D HA -0.080 4.559 4.640 -0.000 0.000 0.206 266 D C 0.927 177.161 176.300 -0.110 0.000 0.967 266 D CA 1.037 54.902 54.000 -0.225 0.000 0.867 266 D CB 0.160 40.389 40.800 -0.953 0.000 0.960 266 D HN 0.325 nan 8.370 nan 0.000 0.509 267 Y N -0.540 119.903 120.300 0.239 0.000 2.467 267 Y HA 0.176 4.726 4.550 -0.000 0.000 0.250 267 Y C 0.257 176.291 175.900 0.222 0.000 1.155 267 Y CA -0.077 58.236 58.100 0.355 0.000 1.249 267 Y CB -0.051 38.758 38.460 0.581 0.000 1.146 267 Y HN 0.087 nan 8.280 nan 0.000 0.524 268 H N -2.361 116.743 119.070 0.057 0.000 2.958 268 H HA -0.204 4.352 4.556 -0.001 0.000 0.274 268 H C -0.210 175.185 175.328 0.111 0.000 1.184 268 H CA -0.074 55.928 56.048 -0.078 0.000 1.143 268 H CB -1.865 27.567 29.762 -0.550 0.000 1.297 268 H HN 0.189 nan 8.280 nan 0.000 0.356 269 F N 1.025 121.142 119.950 0.278 0.000 2.539 269 F HA -0.053 4.474 4.527 -0.000 0.000 0.340 269 F C 1.847 177.757 175.800 0.183 0.000 1.185 269 F CA 0.648 58.754 58.000 0.177 0.000 1.333 269 F CB 0.442 39.496 39.000 0.090 0.000 1.152 269 F HN 0.102 nan 8.300 nan 0.000 0.602 270 D N 0.597 121.125 120.400 0.212 0.000 2.367 270 D HA 0.224 4.864 4.640 -0.000 0.000 0.207 270 D C 0.710 176.773 176.300 -0.396 0.000 1.034 270 D CA 0.560 54.551 54.000 -0.015 0.000 0.861 270 D CB 0.706 41.518 40.800 0.020 0.000 0.943 270 D HN 0.608 nan 8.370 nan 0.000 0.515 271 G N 0.111 108.576 108.800 -0.558 0.000 2.466 271 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 271 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 271 G C -1.919 172.871 174.900 -0.183 0.000 1.460 271 G CA -0.775 44.039 45.100 -0.476 0.000 0.791 271 G HN 0.002 nan 8.290 nan 0.000 0.505 272 L N 0.390 121.608 121.223 -0.007 0.000 2.381 272 L HA 0.697 5.037 4.340 -0.000 0.000 0.268 272 L C 0.076 176.933 176.870 -0.020 0.000 0.997 272 L CA -1.101 53.696 54.840 -0.072 0.000 0.818 272 L CB 2.418 44.402 42.059 -0.124 0.000 1.310 272 L HN 0.508 nan 8.230 nan 0.000 0.416 273 R N 3.513 123.922 120.500 -0.150 0.000 2.246 273 R HA 0.481 4.820 4.340 -0.000 0.000 0.332 273 R C -1.462 174.617 176.300 -0.368 0.000 0.974 273 R CA -0.574 55.364 56.100 -0.270 0.000 0.837 273 R CB 0.804 30.881 30.300 -0.373 0.000 1.145 273 R HN 0.656 nan 8.270 nan 0.000 0.467 274 L N 4.322 125.354 121.223 -0.318 0.000 2.283 274 L HA 0.178 4.518 4.340 -0.000 0.000 0.287 274 L C 0.367 177.061 176.870 -0.293 0.000 1.073 274 L CA -0.536 54.122 54.840 -0.303 0.000 0.822 274 L CB 0.764 42.726 42.059 -0.160 0.000 1.186 274 L HN 0.559 nan 8.230 nan 0.000 0.436 275 D N 3.733 123.962 120.400 -0.285 0.000 2.455 275 D HA 0.257 4.896 4.640 -0.000 0.000 0.241 275 D C 0.775 177.041 176.300 -0.055 0.000 1.138 275 D CA 0.503 54.387 54.000 -0.193 0.000 0.877 275 D CB 0.884 41.606 40.800 -0.130 0.000 1.187 275 D HN 0.753 nan 8.370 nan 0.000 0.451 276 A N 3.020 125.839 122.820 -0.001 0.000 2.415 276 A HA -0.223 4.096 4.320 -0.000 0.000 0.292 276 A C 1.554 179.223 177.584 0.143 0.000 1.452 276 A CA 1.403 53.553 52.037 0.189 0.000 0.750 276 A CB -2.307 16.980 19.000 0.479 0.000 1.099 276 A HN 0.820 nan 8.150 nan 0.000 0.391 277 T N -2.474 112.067 114.554 -0.021 0.000 2.929 277 T HA -0.043 4.306 4.350 -0.000 0.000 0.271 277 T C -0.276 174.321 174.700 -0.172 0.000 1.085 277 T CA 1.301 63.368 62.100 -0.054 0.000 1.125 277 T CB -1.020 67.794 68.868 -0.090 0.000 0.874 277 T HN 0.510 nan 8.240 nan 0.000 0.494 278 P HA 0.019 nan 4.420 nan 0.000 0.221 278 P C -0.130 176.715 177.300 -0.759 0.000 1.145 278 P CA 0.839 63.511 63.100 -0.714 0.000 0.795 278 P CB -0.139 30.854 31.700 -1.179 0.000 0.775 282 D N 1.067 121.400 120.400 -0.112 0.000 2.931 282 D HA 0.345 4.985 4.640 -0.000 0.000 0.215 282 D C -0.666 175.610 176.300 -0.039 0.000 1.297 282 D CA -0.478 53.461 54.000 -0.102 0.000 0.892 282 D CB 1.448 41.989 40.800 -0.433 0.000 1.642 282 D HN 0.357 nan 8.370 nan 0.000 0.560 283 D N 1.456 121.876 120.400 0.034 0.000 2.395 283 D HA 0.099 4.739 4.640 -0.000 0.000 0.213 283 D C 0.067 176.396 176.300 0.048 0.000 1.110 283 D CA -0.051 53.982 54.000 0.055 0.000 0.835 283 D CB 0.547 41.389 40.800 0.070 0.000 0.965 283 D HN 0.183 nan 8.370 nan 0.000 0.505 284 S N 0.902 116.619 115.700 0.029 0.000 2.573 284 S HA -0.056 4.414 4.470 -0.000 0.000 0.277 284 S C 1.563 176.184 174.600 0.034 0.000 1.346 284 S CA -0.216 58.001 58.200 0.028 0.000 1.034 284 S CB 2.009 65.218 63.200 0.015 0.000 0.879 284 S HN 0.246 nan 8.310 nan 0.000 0.528 285 E N 1.445 121.665 120.200 0.034 0.000 2.049 285 E HA -0.164 4.185 4.350 -0.000 0.000 0.198 285 E C -0.053 176.572 176.600 0.042 0.000 1.007 285 E CA 1.108 57.529 56.400 0.035 0.000 0.809 285 E CB 0.060 29.778 29.700 0.029 0.000 0.749 285 E HN 0.583 nan 8.360 nan 0.000 0.450 286 T N 0.326 114.906 114.554 0.042 0.000 2.733 286 T HA 0.144 4.494 4.350 -0.000 0.000 0.294 286 T C -0.748 173.983 174.700 0.050 0.000 0.956 286 T CA -0.263 61.868 62.100 0.051 0.000 0.987 286 T CB 0.826 69.725 68.868 0.052 0.000 0.920 286 T HN 0.212 nan 8.240 nan 0.000 0.470 287 H N 2.376 121.432 119.070 -0.024 0.000 2.790 287 H HA 0.137 4.693 4.556 -0.001 0.000 0.358 287 H C 1.392 176.682 175.328 -0.064 0.000 1.103 287 H CA -0.346 55.677 56.048 -0.042 0.000 1.426 287 H CB 0.449 30.173 29.762 -0.065 0.000 1.424 287 H HN 0.514 nan 8.280 nan 0.000 0.599 288 I N 3.971 124.332 120.570 -0.349 0.000 2.315 288 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 288 I C 1.566 177.656 176.117 -0.046 0.000 1.125 288 I CA 1.469 62.611 61.300 -0.262 0.000 1.392 288 I CB -0.364 37.222 38.000 -0.689 0.000 1.065 288 I HN 0.746 nan 8.210 nan 0.000 0.424 289 L N -0.667 120.691 121.223 0.224 0.000 2.056 289 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 289 L C 2.380 179.281 176.870 0.053 0.000 1.078 289 L CA 1.798 56.712 54.840 0.122 0.000 0.749 289 L CB -1.130 40.975 42.059 0.077 0.000 0.901 289 L HN 0.205 nan 8.230 nan 0.000 0.433 290 T N -1.037 113.550 114.554 0.055 0.000 2.746 290 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 290 T C 1.774 176.459 174.700 -0.025 0.000 1.039 290 T CA 1.605 63.711 62.100 0.009 0.000 1.142 290 T CB -0.139 68.739 68.868 0.016 0.000 0.866 290 T HN 0.378 nan 8.240 nan 0.000 0.444 291 E N 0.544 120.735 120.200 -0.016 0.000 2.106 291 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 291 E C 2.164 178.742 176.600 -0.036 0.000 0.984 291 E CA 0.605 56.981 56.400 -0.040 0.000 0.806 291 E CB -0.200 29.515 29.700 0.026 0.000 0.750 291 E HN 0.413 nan 8.360 nan 0.000 0.458 292 L N 0.479 121.703 121.223 0.003 0.000 2.012 292 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 292 L C 2.637 179.534 176.870 0.044 0.000 1.073 292 L CA 1.361 56.224 54.840 0.038 0.000 0.748 292 L CB -0.436 41.663 42.059 0.066 0.000 0.891 292 L HN 0.235 nan 8.230 nan 0.000 0.431 293 A N -0.767 122.082 122.820 0.048 0.000 1.902 293 A HA -0.269 4.050 4.320 -0.000 0.000 0.217 293 A C 2.184 179.835 177.584 0.111 0.000 1.181 293 A CA 1.687 53.805 52.037 0.134 0.000 0.623 293 A CB -0.504 18.566 19.000 0.116 0.000 0.818 293 A HN 0.491 nan 8.150 nan 0.000 0.443 294 Q N -0.722 118.970 119.800 -0.180 0.000 2.061 294 Q HA -0.185 4.154 4.340 -0.000 0.000 0.204 294 Q C 2.037 177.791 176.000 -0.410 0.000 0.984 294 Q CA 1.513 56.987 55.803 -0.548 0.000 0.846 294 Q CB -0.174 27.808 28.738 -1.261 0.000 0.902 294 Q HN 0.605 nan 8.270 nan 0.000 0.421 295 E N 0.276 120.363 120.200 -0.188 0.000 2.106 295 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 295 E C 1.958 178.610 176.600 0.087 0.000 0.984 295 E CA 0.875 57.337 56.400 0.103 0.000 0.806 295 E CB -0.012 29.799 29.700 0.185 0.000 0.750 295 E HN 0.319 nan 8.360 nan 0.000 0.458 296 I N 0.245 120.841 120.570 0.044 0.000 2.233 296 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 296 I C 2.070 178.166 176.117 -0.036 0.000 1.093 296 I CA 1.209 62.499 61.300 -0.017 0.000 1.380 296 I CB -0.647 37.338 38.000 -0.025 0.000 1.067 296 I HN 0.071 nan 8.210 nan 0.000 0.413 297 H N 0.073 119.137 119.070 -0.010 0.000 2.457 297 H HA -0.134 4.422 4.556 -0.001 0.000 0.297 297 H C 2.082 177.434 175.328 0.040 0.000 1.092 297 H CA 1.307 57.359 56.048 0.007 0.000 1.309 297 H CB -0.067 29.669 29.762 -0.044 0.000 1.382 297 H HN 0.277 nan 8.280 nan 0.000 0.535 298 E N 1.013 121.310 120.200 0.163 0.000 2.268 298 E HA -0.111 4.238 4.350 -0.000 0.000 0.195 298 E C 1.794 178.465 176.600 0.118 0.000 0.995 298 E CA 0.381 56.896 56.400 0.191 0.000 0.836 298 E CB -0.053 29.840 29.700 0.322 0.000 0.763 298 E HN 0.523 nan 8.360 nan 0.000 0.491 299 L N -0.286 120.980 121.223 0.071 0.000 2.450 299 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 299 L C 1.521 178.431 176.870 0.067 0.000 1.149 299 L CA 0.771 55.635 54.840 0.041 0.000 0.816 299 L CB -0.491 41.542 42.059 -0.043 0.000 0.932 299 L HN 0.286 nan 8.230 nan 0.000 0.449 300 G N -0.149 108.694 108.800 0.072 0.000 2.198 300 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.257 300 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.257 300 G C 0.332 175.245 174.900 0.021 0.000 1.042 300 G CA 0.050 45.177 45.100 0.045 0.000 0.791 300 G HN 0.562 nan 8.290 nan 0.000 0.502 301 G N -1.622 107.205 108.800 0.045 0.000 3.217 301 G HA2 0.775 4.734 3.960 -0.000 0.000 0.213 301 G HA3 0.775 4.734 3.960 -0.000 0.000 0.213 301 G C 0.796 175.580 174.900 -0.194 0.000 1.294 301 G CA 0.816 45.855 45.100 -0.103 0.000 0.987 301 G HN 1.219 nan 8.290 nan 0.000 0.584 302 T N -2.263 112.046 114.554 -0.408 0.000 3.228 302 T HA 0.288 4.638 4.350 -0.000 0.000 0.278 302 T C 0.055 174.580 174.700 -0.293 0.000 1.014 302 T CA -0.285 61.637 62.100 -0.297 0.000 0.904 302 T CB -0.665 68.039 68.868 -0.273 0.000 1.110 302 T HN 0.419 nan 8.240 nan 0.000 0.541 303 H N 1.212 120.195 119.070 -0.145 0.000 2.972 303 H HA 0.453 5.008 4.556 -0.000 0.000 0.343 303 H C 0.266 175.523 175.328 -0.119 0.000 1.054 303 H CA 0.062 56.031 56.048 -0.131 0.000 1.412 303 H CB 0.384 30.072 29.762 -0.123 0.000 1.385 303 H HN 0.281 nan 8.280 nan 0.000 0.600 304 L N 2.263 123.520 121.223 0.057 0.000 2.313 304 L HA 0.481 4.821 4.340 -0.000 0.000 0.268 304 L C -0.796 176.162 176.870 0.147 0.000 1.010 304 L CA -1.129 53.793 54.840 0.135 0.000 0.814 304 L CB 1.364 43.614 42.059 0.318 0.000 1.304 304 L HN 0.332 nan 8.230 nan 0.000 0.441 305 L N 1.743 123.068 121.223 0.170 0.000 2.410 305 L HA 0.561 4.901 4.340 -0.000 0.000 0.270 305 L C -1.319 175.635 176.870 0.140 0.000 0.983 305 L CA -0.220 54.700 54.840 0.133 0.000 0.822 305 L CB 1.738 43.857 42.059 0.100 0.000 1.285 305 L HN 0.274 nan 8.230 nan 0.000 0.409 306 L N 4.047 125.329 121.223 0.099 0.000 2.346 306 L HA 0.760 5.100 4.340 -0.000 0.000 0.276 306 L C -0.065 176.766 176.870 -0.065 0.000 1.006 306 L CA -0.610 54.268 54.840 0.063 0.000 0.817 306 L CB 1.540 43.657 42.059 0.097 0.000 1.272 306 L HN 0.753 nan 8.230 nan 0.000 0.421 307 A N 2.477 125.270 122.820 -0.044 0.000 2.292 307 A HA 0.400 4.720 4.320 -0.000 0.000 0.319 307 A C 0.114 177.612 177.584 -0.144 0.000 1.206 307 A CA -0.500 51.473 52.037 -0.106 0.000 0.835 307 A CB 0.571 19.533 19.000 -0.063 0.000 1.164 307 A HN 0.734 nan 8.150 nan 0.000 0.505 308 E N 2.738 122.779 120.200 -0.264 0.000 1.996 308 E HA 0.140 4.490 4.350 -0.000 0.000 0.280 308 E C -1.355 175.193 176.600 -0.088 0.000 1.092 308 E CA -0.052 56.230 56.400 -0.198 0.000 0.862 308 E CB 0.343 29.831 29.700 -0.353 0.000 1.066 308 E HN 0.649 nan 8.360 nan 0.000 0.396 309 D N 3.170 123.546 120.400 -0.040 0.000 2.788 309 D HA 0.035 4.675 4.640 -0.000 0.000 0.247 309 D C 0.202 176.420 176.300 -0.136 0.000 1.236 309 D CA -0.450 53.456 54.000 -0.157 0.000 0.898 309 D CB 0.817 41.515 40.800 -0.170 0.000 1.401 309 D HN 0.680 nan 8.370 nan 0.000 0.549 310 H N 1.977 120.982 119.070 -0.108 0.000 2.539 310 H HA 0.260 4.815 4.556 -0.001 0.000 0.267 310 H C 1.040 176.222 175.328 -0.244 0.000 0.982 310 H CA 0.304 56.259 56.048 -0.154 0.000 1.146 310 H CB 0.071 29.745 29.762 -0.147 0.000 1.382 310 H HN 0.162 nan 8.280 nan 0.000 0.577 311 R N 0.409 120.743 120.500 -0.275 0.000 2.299 311 R HA 0.035 4.375 4.340 -0.000 0.000 0.197 311 R C -0.200 175.921 176.300 -0.297 0.000 0.971 311 R CA 0.298 56.279 56.100 -0.198 0.000 1.030 311 R CB -0.037 30.130 30.300 -0.222 0.000 0.932 311 R HN 0.230 nan 8.270 nan 0.000 0.477 312 N N 0.831 119.175 118.700 -0.594 0.000 2.696 312 N HA -0.186 4.554 4.740 -0.000 0.000 0.256 312 N C -1.406 173.702 175.510 -0.669 0.000 1.031 312 N CA 0.677 52.861 53.050 -1.443 0.000 0.730 312 N CB -0.880 36.633 38.487 -1.624 0.000 0.894 312 N HN 0.097 nan 8.380 nan 0.000 0.544 313 L N 0.501 121.544 121.223 -0.299 0.000 2.337 313 L HA 0.480 4.819 4.340 -0.000 0.000 0.269 313 L C -1.716 175.210 176.870 0.092 0.000 1.018 313 L CA -1.751 53.039 54.840 -0.083 0.000 0.876 313 L CB 1.649 43.580 42.059 -0.213 0.000 1.236 313 L HN -0.137 nan 8.230 nan 0.000 0.436 314 P HA -0.052 nan 4.420 nan 0.000 0.228 314 P C 0.307 177.598 177.300 -0.016 0.000 1.151 314 P CA 0.891 64.090 63.100 0.166 0.000 0.770 314 P CB 0.291 32.085 31.700 0.157 0.000 0.786 315 D N -0.899 119.444 120.400 -0.095 0.000 2.218 315 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 315 D C 1.786 177.980 176.300 -0.175 0.000 0.976 315 D CA 0.754 54.661 54.000 -0.156 0.000 0.853 315 D CB -0.761 39.916 40.800 -0.205 0.000 0.939 315 D HN 0.189 nan 8.370 nan 0.000 0.481 316 L N -0.079 121.057 121.223 -0.145 0.000 2.081 316 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 316 L C 2.216 179.017 176.870 -0.115 0.000 1.080 316 L CA 0.803 55.561 54.840 -0.137 0.000 0.754 316 L CB -0.330 41.672 42.059 -0.094 0.000 0.893 316 L HN 0.032 nan 8.230 nan 0.000 0.433 317 V N -1.001 118.858 119.914 -0.092 0.000 2.426 317 V HA -0.160 3.959 4.120 -0.000 0.000 0.242 317 V C 2.559 178.589 176.094 -0.108 0.000 1.036 317 V CA 2.002 64.258 62.300 -0.074 0.000 1.044 317 V CB -0.440 31.340 31.823 -0.071 0.000 0.688 317 V HN 0.626 nan 8.190 nan 0.000 0.462 318 T N -2.767 111.709 114.554 -0.129 0.000 3.043 318 T HA 0.025 4.375 4.350 -0.000 0.000 0.263 318 T C 1.470 176.006 174.700 -0.272 0.000 1.094 318 T CA 1.259 63.285 62.100 -0.123 0.000 1.127 318 T CB 0.439 69.260 68.868 -0.077 0.000 0.905 318 T HN 0.219 nan 8.240 nan 0.000 0.490 319 V N 1.270 120.957 119.914 -0.378 0.000 2.996 319 V HA 0.206 4.325 4.120 -0.000 0.000 0.235 319 V C 1.947 177.651 176.094 -0.649 0.000 1.205 319 V CA 0.618 62.643 62.300 -0.458 0.000 1.225 319 V CB -0.358 31.315 31.823 -0.251 0.000 0.995 319 V HN 0.370 nan 8.190 nan 0.000 0.484 320 N N -0.757 117.678 118.700 -0.442 0.000 2.463 320 N HA -0.033 4.707 4.740 -0.000 0.000 0.181 320 N C 0.077 175.457 175.510 -0.216 0.000 1.078 320 N CA 0.478 53.353 53.050 -0.291 0.000 0.902 320 N CB 0.043 38.416 38.487 -0.189 0.000 0.970 320 N HN 0.439 nan 8.380 nan 0.000 0.451 321 H N -1.125 117.905 119.070 -0.066 0.000 2.903 321 H HA -0.127 4.428 4.556 -0.000 0.000 0.285 321 H C -0.338 174.990 175.328 -0.000 0.000 1.231 321 H CA 0.459 56.471 56.048 -0.061 0.000 1.135 321 H CB -2.149 27.534 29.762 -0.132 0.000 1.328 321 H HN 0.268 nan 8.280 nan 0.000 0.388 322 L N 0.374 121.632 121.223 0.057 0.000 2.466 322 L HA 0.101 4.441 4.340 -0.000 0.000 0.257 322 L C 1.684 178.604 176.870 0.082 0.000 1.189 322 L CA -0.056 54.830 54.840 0.076 0.000 0.813 322 L CB 0.472 42.549 42.059 0.029 0.000 1.118 322 L HN 0.022 nan 8.230 nan 0.000 0.471 323 D N 0.185 120.647 120.400 0.104 0.000 2.327 323 D HA 0.170 4.810 4.640 -0.000 0.000 0.205 323 D C 0.636 176.978 176.300 0.070 0.000 0.989 323 D CA 0.616 54.677 54.000 0.102 0.000 0.873 323 D CB 1.093 41.981 40.800 0.148 0.000 0.955 323 D HN 0.706 nan 8.370 nan 0.000 0.515 324 G N 0.047 108.892 108.800 0.074 0.000 2.441 324 G HA2 0.521 4.481 3.960 -0.000 0.000 0.294 324 G HA3 0.521 4.481 3.960 -0.000 0.000 0.294 324 G C -1.890 173.069 174.900 0.099 0.000 1.393 324 G CA -0.766 44.368 45.100 0.057 0.000 0.796 324 G HN 0.004 nan 8.290 nan 0.000 0.494 325 I N -0.491 120.160 120.570 0.134 0.000 2.534 325 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 325 I C -1.092 175.249 176.117 0.372 0.000 1.077 325 I CA -0.606 60.820 61.300 0.210 0.000 1.051 325 I CB 2.366 40.486 38.000 0.201 0.000 1.234 325 I HN 0.419 nan 8.210 nan 0.000 0.425 326 W N 5.127 126.474 121.300 0.079 0.000 2.529 326 W HA 0.289 4.948 4.660 -0.000 0.000 0.319 326 W C 0.094 176.707 176.519 0.156 0.000 1.362 326 W CA -0.285 57.121 57.345 0.103 0.000 1.348 326 W CB 0.298 29.775 29.460 0.029 0.000 1.403 326 W HN 0.282 nan 8.180 nan 0.000 0.519 327 T N 3.611 118.423 114.554 0.430 0.000 2.792 327 T HA 0.124 4.474 4.350 -0.000 0.000 0.280 327 T C 0.464 175.331 174.700 0.278 0.000 0.990 327 T CA -0.682 61.664 62.100 0.410 0.000 0.960 327 T CB 1.946 71.232 68.868 0.697 0.000 0.939 327 T HN 0.206 nan 8.240 nan 0.000 0.439 328 D N 1.303 121.758 120.400 0.092 0.000 2.348 328 D HA -0.021 4.619 4.640 -0.000 0.000 0.211 328 D C 1.230 177.357 176.300 -0.289 0.000 0.998 328 D CA 0.346 54.233 54.000 -0.189 0.000 0.873 328 D CB 0.240 40.710 40.800 -0.550 0.000 0.925 328 D HN 0.451 nan 8.370 nan 0.000 0.524 329 D N 0.337 120.754 120.400 0.029 0.000 2.133 329 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 329 D C 1.717 178.045 176.300 0.047 0.000 0.997 329 D CA 0.547 54.652 54.000 0.175 0.000 0.840 329 D CB -0.365 40.731 40.800 0.495 0.000 0.947 329 D HN 0.224 nan 8.370 nan 0.000 0.452 330 F N 1.267 121.126 119.950 -0.151 0.000 2.075 330 F HA -0.246 4.280 4.527 -0.001 0.000 0.297 330 F C 2.455 178.128 175.800 -0.212 0.000 1.113 330 F CA 1.770 59.559 58.000 -0.352 0.000 1.218 330 F CB -0.456 37.882 39.000 -1.105 0.000 0.984 330 F HN 0.089 nan 8.300 nan 0.000 0.472 331 H N -0.596 118.377 119.070 -0.161 0.000 2.319 331 H HA -0.220 4.336 4.556 -0.001 0.000 0.297 331 H C 2.189 177.510 175.328 -0.012 0.000 1.097 331 H CA 2.527 58.516 56.048 -0.098 0.000 1.285 331 H CB -0.616 29.178 29.762 0.054 0.000 1.368 331 H HN 0.353 nan 8.280 nan 0.000 0.495 332 H N 0.319 119.320 119.070 -0.116 0.000 2.357 332 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 332 H C 2.402 177.507 175.328 -0.372 0.000 1.082 332 H CA 1.402 57.339 56.048 -0.185 0.000 1.342 332 H CB -0.444 28.939 29.762 -0.632 0.000 1.389 332 H HN 0.435 nan 8.280 nan 0.000 0.511 333 E N 0.069 120.091 120.200 -0.296 0.000 2.085 333 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 333 E C 2.059 178.541 176.600 -0.197 0.000 0.994 333 E CA 1.780 58.099 56.400 -0.135 0.000 0.801 333 E CB -0.041 29.635 29.700 -0.040 0.000 0.743 333 E HN 0.372 nan 8.360 nan 0.000 0.453 334 T N -0.129 114.203 114.554 -0.369 0.000 2.737 334 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 334 T C 1.858 176.423 174.700 -0.226 0.000 1.038 334 T CA 1.421 63.324 62.100 -0.328 0.000 1.144 334 T CB -0.263 68.301 68.868 -0.505 0.000 0.866 334 T HN 0.172 nan 8.240 nan 0.000 0.434 335 R N 0.647 120.968 120.500 -0.299 0.000 2.073 335 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 335 R C 2.317 178.491 176.300 -0.211 0.000 1.134 335 R CA 1.252 57.195 56.100 -0.262 0.000 0.952 335 R CB -0.558 29.529 30.300 -0.355 0.000 0.850 335 R HN 0.214 nan 8.270 nan 0.000 0.433 336 V N 0.669 120.490 119.914 -0.156 0.000 2.407 336 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 336 V C 2.191 178.234 176.094 -0.086 0.000 1.055 336 V CA 2.279 64.526 62.300 -0.089 0.000 1.049 336 V CB -0.602 31.259 31.823 0.064 0.000 0.662 336 V HN 0.500 nan 8.190 nan 0.000 0.455 337 T N 0.593 115.085 114.554 -0.103 0.000 2.665 337 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 337 T C 1.779 176.397 174.700 -0.136 0.000 1.035 337 T CA 1.777 63.796 62.100 -0.136 0.000 1.151 337 T CB -0.287 68.465 68.868 -0.194 0.000 0.862 337 T HN 0.344 nan 8.240 nan 0.000 0.438 338 L N 0.645 121.799 121.223 -0.114 0.000 2.270 338 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 338 L C 2.756 179.586 176.870 -0.066 0.000 1.104 338 L CA 1.368 56.165 54.840 -0.072 0.000 0.804 338 L CB -0.488 41.570 42.059 -0.002 0.000 0.937 338 L HN 0.454 nan 8.230 nan 0.000 0.450 339 T N -5.611 108.887 114.554 -0.093 0.000 2.964 339 T HA 0.230 4.580 4.350 -0.000 0.000 0.249 339 T C 1.507 176.157 174.700 -0.083 0.000 1.000 339 T CA 0.584 62.630 62.100 -0.091 0.000 0.992 339 T CB 0.855 69.646 68.868 -0.128 0.000 1.087 339 T HN 0.298 nan 8.240 nan 0.000 0.489 340 G N 2.654 111.404 108.800 -0.083 0.000 2.162 340 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 340 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 340 G C -0.092 174.775 174.900 -0.055 0.000 0.976 340 G CA 0.421 45.485 45.100 -0.060 0.000 0.655 340 G HN 1.110 nan 8.290 nan 0.000 0.533 341 E N -0.315 119.830 120.200 -0.092 0.000 2.404 341 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 341 E C 0.245 176.844 176.600 -0.002 0.000 1.074 341 E CA -0.129 56.225 56.400 -0.076 0.000 0.917 341 E CB 0.596 30.202 29.700 -0.156 0.000 0.965 341 E HN 0.211 nan 8.360 nan 0.000 0.433 342 Q N 1.069 120.889 119.800 0.033 0.000 2.028 342 Q HA 0.140 4.479 4.340 -0.000 0.000 0.207 342 Q C -0.777 175.233 176.000 0.017 0.000 0.776 342 Q CA 0.019 55.855 55.803 0.055 0.000 1.015 342 Q CB 0.972 29.713 28.738 0.006 0.000 1.215 342 Q HN 0.636 nan 8.270 nan 0.000 0.445 343 E N 0.152 120.365 120.200 0.022 0.000 2.349 343 E HA 0.409 4.759 4.350 -0.000 0.000 0.265 343 E C 0.785 177.126 176.600 -0.431 0.000 1.064 343 E CA 0.396 56.693 56.400 -0.171 0.000 0.886 343 E CB 0.827 30.450 29.700 -0.130 0.000 1.036 343 E HN 0.274 nan 8.360 nan 0.000 0.413 344 G N 1.872 110.253 108.800 -0.698 0.000 2.614 344 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.303 344 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.303 344 G C 0.631 175.374 174.900 -0.261 0.000 1.270 344 G CA 0.972 45.627 45.100 -0.741 0.000 0.988 344 G HN 0.787 nan 8.290 nan 0.000 0.551 345 Y N -1.121 119.168 120.300 -0.018 0.000 2.497 345 Y HA 0.227 4.777 4.550 -0.001 0.000 0.292 345 Y C 2.484 178.452 175.900 0.114 0.000 1.137 345 Y CA 1.442 59.635 58.100 0.156 0.000 1.285 345 Y CB -0.759 37.850 38.460 0.249 0.000 0.991 345 Y HN 0.419 nan 8.280 nan 0.000 0.556 346 Y N 1.143 121.532 120.300 0.147 0.000 2.421 346 Y HA -0.008 4.542 4.550 -0.000 0.000 0.292 346 Y C 2.574 178.587 175.900 0.190 0.000 1.136 346 Y CA 0.383 58.617 58.100 0.224 0.000 1.255 346 Y CB -0.779 37.718 38.460 0.062 0.000 0.991 346 Y HN 0.313 nan 8.280 nan 0.000 0.552 347 A N -0.018 122.866 122.820 0.108 0.000 2.178 347 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 347 A C 2.456 179.913 177.584 -0.212 0.000 1.157 347 A CA 1.321 53.325 52.037 -0.054 0.000 0.689 347 A CB -1.179 17.733 19.000 -0.146 0.000 0.787 347 A HN 0.439 nan 8.150 nan 0.000 0.465 348 G N -2.051 106.544 108.800 -0.343 0.000 2.848 348 G HA2 0.275 4.235 3.960 -0.000 0.000 0.208 348 G HA3 0.275 4.235 3.960 -0.000 0.000 0.208 348 G C 0.042 174.517 174.900 -0.708 0.000 1.152 348 G CA 0.249 44.855 45.100 -0.822 0.000 0.789 348 G HN 0.471 nan 8.290 nan 0.000 0.531 349 Y N -2.224 118.143 120.300 0.112 0.000 2.492 349 Y HA 0.467 5.017 4.550 -0.000 0.000 0.346 349 Y C 1.007 176.945 175.900 0.064 0.000 0.997 349 Y CA -1.216 56.976 58.100 0.154 0.000 1.025 349 Y CB 1.800 40.409 38.460 0.248 0.000 1.263 349 Y HN -0.152 nan 8.280 nan 0.000 0.454 350 R N 1.741 122.328 120.500 0.144 0.000 2.100 350 R HA 0.290 4.630 4.340 -0.000 0.000 0.220 350 R C 0.662 176.993 176.300 0.052 0.000 1.091 350 R CA 1.154 57.286 56.100 0.054 0.000 0.986 350 R CB -0.230 30.064 30.300 -0.009 0.000 0.888 350 R HN 1.067 nan 8.270 nan 0.000 0.444 351 G N -0.578 108.269 108.800 0.078 0.000 2.855 351 G HA2 0.128 4.087 3.960 -0.000 0.000 0.352 351 G HA3 0.128 4.087 3.960 -0.000 0.000 0.352 351 G C 0.045 174.911 174.900 -0.056 0.000 1.415 351 G CA -0.357 44.746 45.100 0.005 0.000 0.871 351 G HN 0.917 nan 8.290 nan 0.000 0.543 352 G N -2.305 106.432 108.800 -0.106 0.000 2.555 352 G HA2 0.496 4.456 3.960 -0.000 0.000 0.686 352 G HA3 0.496 4.456 3.960 -0.000 0.000 0.686 352 G C 1.041 175.848 174.900 -0.156 0.000 1.275 352 G CA 0.875 45.890 45.100 -0.142 0.000 0.871 352 G HN 2.435 nan 8.290 nan 0.000 0.603 353 A N -0.330 122.390 122.820 -0.168 0.000 1.877 353 A HA 0.024 4.343 4.320 -0.000 0.000 0.216 353 A C 2.139 179.623 177.584 -0.167 0.000 1.186 353 A CA 2.552 54.510 52.037 -0.130 0.000 0.620 353 A CB -0.599 18.372 19.000 -0.049 0.000 0.822 353 A HN 1.270 nan 8.150 nan 0.000 0.443 354 E N -0.108 119.862 120.200 -0.384 0.000 2.085 354 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 354 E C 2.093 178.576 176.600 -0.196 0.000 0.994 354 E CA 1.255 57.315 56.400 -0.567 0.000 0.801 354 E CB -0.296 28.890 29.700 -0.856 0.000 0.743 354 E HN 0.522 nan 8.360 nan 0.000 0.453 355 A N 0.946 123.684 122.820 -0.135 0.000 1.898 355 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 355 A C 2.228 179.846 177.584 0.057 0.000 1.181 355 A CA 1.120 53.145 52.037 -0.021 0.000 0.620 355 A CB -0.639 18.352 19.000 -0.014 0.000 0.819 355 A HN 0.328 nan 8.150 nan 0.000 0.442 356 L N -0.730 120.496 121.223 0.006 0.000 2.046 356 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 356 L C 3.125 180.035 176.870 0.066 0.000 1.077 356 L CA 1.071 55.933 54.840 0.037 0.000 0.747 356 L CB -0.528 41.540 42.059 0.016 0.000 0.896 356 L HN 0.441 nan 8.230 nan 0.000 0.432 357 A N -0.744 122.085 122.820 0.014 0.000 1.908 357 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 357 A C 2.183 179.773 177.584 0.010 0.000 1.181 357 A CA 1.915 53.933 52.037 -0.032 0.000 0.627 357 A CB -0.951 17.985 19.000 -0.107 0.000 0.818 357 A HN 0.500 nan 8.150 nan 0.000 0.445 358 Y N 0.853 121.128 120.300 -0.043 0.000 2.163 358 Y HA -0.163 4.387 4.550 -0.001 0.000 0.288 358 Y C 2.735 178.645 175.900 0.016 0.000 1.136 358 Y CA 2.360 60.448 58.100 -0.020 0.000 1.147 358 Y CB -0.580 37.866 38.460 -0.023 0.000 0.987 358 Y HN 0.301 nan 8.280 nan 0.000 0.509 359 T N 1.146 115.806 114.554 0.176 0.000 2.746 359 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 359 T C 1.932 176.665 174.700 0.056 0.000 1.039 359 T CA 1.986 64.179 62.100 0.154 0.000 1.142 359 T CB -0.433 68.580 68.868 0.242 0.000 0.866 359 T HN 0.334 nan 8.240 nan 0.000 0.444 360 I N 1.390 122.006 120.570 0.077 0.000 2.179 360 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 360 I C 2.713 178.762 176.117 -0.114 0.000 1.088 360 I CA 1.375 62.710 61.300 0.059 0.000 1.357 360 I CB -0.364 37.703 38.000 0.111 0.000 1.051 360 I HN 0.253 nan 8.210 nan 0.000 0.409 361 R N 0.690 121.092 120.500 -0.164 0.000 2.235 361 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 361 R C 1.692 177.818 176.300 -0.290 0.000 1.059 361 R CA 0.832 56.805 56.100 -0.212 0.000 0.997 361 R CB -0.117 30.069 30.300 -0.189 0.000 0.884 361 R HN 0.164 nan 8.270 nan 0.000 0.462 362 R N -0.014 120.264 120.500 -0.369 0.000 2.312 362 R HA 0.227 4.566 4.340 -0.000 0.000 0.205 362 R C 1.297 177.364 176.300 -0.388 0.000 0.904 362 R CA 0.602 56.493 56.100 -0.348 0.000 1.052 362 R CB 0.535 30.596 30.300 -0.398 0.000 1.014 362 R HN 0.550 nan 8.270 nan 0.000 0.503 363 G N 1.007 109.515 108.800 -0.488 0.000 3.444 363 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.222 363 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.222 363 G C -0.250 174.475 174.900 -0.291 0.000 1.358 363 G CA 0.574 45.065 45.100 -1.014 0.000 0.880 363 G HN 0.367 nan 8.290 nan 0.000 0.555 364 W N -0.275 121.056 121.300 0.053 0.000 2.882 364 W HA 0.892 5.552 4.660 0.000 0.000 0.345 364 W C 0.632 177.265 176.519 0.191 0.000 1.125 364 W CA -1.122 56.355 57.345 0.221 0.000 1.167 364 W CB 0.780 30.445 29.460 0.342 0.000 1.431 364 W HN 0.290 nan 8.180 nan 0.000 0.543 365 R N 0.065 120.913 120.500 0.579 0.000 2.062 365 R HA 0.072 4.411 4.340 -0.000 0.000 0.226 365 R C -0.246 176.221 176.300 0.278 0.000 1.125 365 R CA 0.731 57.078 56.100 0.412 0.000 0.966 365 R CB -0.415 30.082 30.300 0.329 0.000 0.861 365 R HN 0.544 nan 8.270 nan 0.000 0.433 366 Y N 1.553 122.051 120.300 0.329 0.000 2.504 366 Y HA 0.126 4.676 4.550 -0.000 0.000 0.351 366 Y C 0.107 176.082 175.900 0.126 0.000 0.988 366 Y CA -0.021 58.180 58.100 0.168 0.000 1.239 366 Y CB 1.296 39.795 38.460 0.066 0.000 1.128 366 Y HN 0.166 nan 8.280 nan 0.000 0.525 367 E N 2.164 122.520 120.200 0.260 0.000 2.651 367 E HA 0.266 4.616 4.350 -0.000 0.000 0.208 367 E C 1.177 177.836 176.600 0.098 0.000 0.997 367 E CA 0.259 56.815 56.400 0.260 0.000 1.020 367 E CB 0.702 30.593 29.700 0.318 0.000 1.052 367 E HN 1.031 nan 8.360 nan 0.000 0.465 368 G N 1.628 110.441 108.800 0.022 0.000 2.367 368 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.181 368 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.181 368 G C 0.366 175.237 174.900 -0.048 0.000 1.000 368 G CA -0.341 44.712 45.100 -0.077 0.000 0.693 368 G HN 0.207 nan 8.290 nan 0.000 0.480 369 Q N 0.719 120.549 119.800 0.051 0.000 2.443 369 Q HA 0.491 4.831 4.340 -0.000 0.000 0.232 369 Q C -0.384 175.692 176.000 0.126 0.000 1.026 369 Q CA -0.410 55.447 55.803 0.090 0.000 0.924 369 Q CB 0.652 29.444 28.738 0.090 0.000 1.256 369 Q HN 0.206 nan 8.270 nan 0.000 0.519 370 F N 1.243 121.252 119.950 0.099 0.000 2.538 370 F HA 0.038 4.565 4.527 -0.001 0.000 0.371 370 F C 0.348 176.262 175.800 0.190 0.000 1.087 370 F CA 0.041 58.090 58.000 0.082 0.000 1.250 370 F CB 0.446 39.468 39.000 0.037 0.000 1.110 370 F HN 0.467 nan 8.300 nan 0.000 0.570 371 W N 5.865 127.152 121.300 -0.020 0.000 2.342 371 W HA 0.498 5.157 4.660 -0.001 0.000 0.310 371 W C -0.612 175.911 176.519 0.007 0.000 1.128 371 W CA -0.859 56.380 57.345 -0.177 0.000 1.322 371 W CB 1.418 30.542 29.460 -0.560 0.000 1.251 371 W HN 0.563 nan 8.180 nan 0.000 0.439 372 A N 5.927 128.593 122.820 -0.255 0.000 2.460 372 A HA 0.249 4.568 4.320 -0.000 0.000 0.258 372 A C 0.006 177.403 177.584 -0.311 0.000 1.300 372 A CA -0.165 51.763 52.037 -0.181 0.000 0.913 372 A CB -0.329 18.588 19.000 -0.137 0.000 1.031 372 A HN 0.292 nan 8.150 nan 0.000 0.512 373 V N 2.122 121.681 119.914 -0.592 0.000 2.585 373 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 373 V C 0.492 176.512 176.094 -0.123 0.000 1.035 373 V CA -0.356 61.694 62.300 -0.418 0.000 1.084 373 V CB 0.528 32.042 31.823 -0.514 0.000 0.953 373 V HN 0.370 nan 8.190 nan 0.000 0.483 374 K N 3.649 123.990 120.400 -0.099 0.000 2.511 374 K HA 0.117 4.437 4.320 -0.000 0.000 0.280 374 K C 1.312 177.911 176.600 -0.002 0.000 1.008 374 K CA 1.073 57.332 56.287 -0.046 0.000 1.050 374 K CB 0.142 32.606 32.500 -0.061 0.000 0.889 374 K HN 1.189 nan 8.250 nan 0.000 0.484 375 G N 3.048 111.860 108.800 0.019 0.000 2.179 375 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 375 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 375 G C 0.390 175.336 174.900 0.076 0.000 0.977 375 G CA 0.523 45.642 45.100 0.031 0.000 0.641 375 G HN 0.692 nan 8.290 nan 0.000 0.533 376 E N -0.410 119.878 120.200 0.147 0.000 2.789 376 E HA 0.173 4.523 4.350 -0.000 0.000 0.217 376 E C -0.179 176.690 176.600 0.450 0.000 0.970 376 E CA -0.324 56.242 56.400 0.276 0.000 1.201 376 E CB 0.569 30.518 29.700 0.415 0.000 1.069 376 E HN 0.541 nan 8.360 nan 0.000 0.499 377 E N 2.947 123.331 120.200 0.307 0.000 2.406 377 E HA -0.005 4.345 4.350 -0.000 0.000 0.258 377 E C -0.125 176.766 176.600 0.486 0.000 1.043 377 E CA 0.614 57.228 56.400 0.356 0.000 0.929 377 E CB 0.101 29.929 29.700 0.213 0.000 0.969 377 E HN 0.243 nan 8.360 nan 0.000 0.462 378 H N 0.771 120.042 119.070 0.336 0.000 2.950 378 H HA 0.264 4.820 4.556 -0.000 0.000 0.307 378 H C -1.030 174.128 175.328 -0.284 0.000 1.403 378 H CA -1.086 54.995 56.048 0.056 0.000 1.145 378 H CB 0.557 30.316 29.762 -0.004 0.000 1.844 378 H HN 0.339 nan 8.280 nan 0.000 0.515 379 E N 1.637 121.410 120.200 -0.712 0.000 2.166 379 E HA 0.194 4.543 4.350 -0.000 0.000 0.279 379 E C -0.072 176.278 176.600 -0.416 0.000 1.095 379 E CA -0.280 55.695 56.400 -0.709 0.000 0.888 379 E CB 1.449 30.779 29.700 -0.616 0.000 1.041 379 E HN 0.257 nan 8.360 nan 0.000 0.414 380 R N 2.642 122.902 120.500 -0.401 0.000 2.387 380 R HA 0.514 4.854 4.340 -0.000 0.000 0.314 380 R C -0.063 176.135 176.300 -0.171 0.000 0.958 380 R CA 0.201 56.112 56.100 -0.315 0.000 0.846 380 R CB 1.025 31.028 30.300 -0.494 0.000 1.147 380 R HN 0.712 nan 8.270 nan 0.000 0.447 381 G N 2.160 110.802 108.800 -0.263 0.000 2.655 381 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.680 381 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.680 381 G C -1.617 172.988 174.900 -0.491 0.000 1.302 381 G CA -0.758 44.181 45.100 -0.269 0.000 0.872 381 G HN 0.755 nan 8.290 nan 0.000 0.540 382 H N -0.531 118.588 119.070 0.080 0.000 3.016 382 H HA 0.602 5.158 4.556 -0.001 0.000 0.362 382 H C -2.537 173.006 175.328 0.358 0.000 1.233 382 H CA -1.216 54.937 56.048 0.174 0.000 1.124 382 H CB 1.948 31.790 29.762 0.133 0.000 1.850 382 H HN 0.543 nan 8.280 nan 0.000 0.549 383 P HA -0.040 nan 4.420 nan 0.000 0.264 383 P C 0.367 177.866 177.300 0.332 0.000 1.183 383 P CA 0.276 63.560 63.100 0.307 0.000 0.763 383 P CB 0.634 32.447 31.700 0.188 0.000 0.807 384 S N 0.369 116.191 115.700 0.203 0.000 2.575 384 S HA -0.013 4.457 4.470 -0.000 0.000 0.215 384 S C 0.935 175.510 174.600 -0.042 0.000 0.966 384 S CA 0.210 58.373 58.200 -0.061 0.000 0.911 384 S CB -0.681 62.272 63.200 -0.413 0.000 0.780 384 S HN 0.243 nan 8.310 nan 0.000 0.514 385 D N 3.227 123.636 120.400 0.015 0.000 2.158 385 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 385 D C 2.077 178.371 176.300 -0.010 0.000 0.995 385 D CA 1.543 55.544 54.000 0.002 0.000 0.846 385 D CB -0.432 40.379 40.800 0.019 0.000 0.941 385 D HN 0.600 nan 8.370 nan 0.000 0.456 386 A N 0.114 122.927 122.820 -0.012 0.000 2.067 386 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 386 A C 0.995 178.541 177.584 -0.063 0.000 1.158 386 A CA 0.443 52.464 52.037 -0.028 0.000 0.661 386 A CB -0.408 18.579 19.000 -0.021 0.000 0.801 386 A HN 0.176 nan 8.150 nan 0.000 0.452 387 L N 0.500 121.656 121.223 -0.111 0.000 2.349 387 L HA 0.366 4.706 4.340 -0.000 0.000 0.275 387 L C 0.288 177.122 176.870 -0.061 0.000 1.115 387 L CA -0.533 54.179 54.840 -0.212 0.000 0.820 387 L CB 0.936 42.629 42.059 -0.611 0.000 1.135 387 L HN 0.236 nan 8.230 nan 0.000 0.445 388 E N 1.351 121.506 120.200 -0.075 0.000 2.250 388 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 388 E C 0.588 177.227 176.600 0.066 0.000 1.033 388 E CA 0.127 56.529 56.400 0.003 0.000 0.888 388 E CB 1.791 31.475 29.700 -0.028 0.000 1.151 388 E HN 0.545 nan 8.360 nan 0.000 0.412 389 A N 3.050 125.906 122.820 0.061 0.000 1.903 389 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 389 A C -0.791 176.814 177.584 0.035 0.000 1.191 389 A CA 1.986 54.055 52.037 0.053 0.000 0.638 389 A CB -1.786 17.178 19.000 -0.060 0.000 0.823 389 A HN 0.671 nan 8.150 nan 0.000 0.451 390 P HA -0.078 nan 4.420 nan 0.000 0.222 390 P C 0.807 178.087 177.300 -0.034 0.000 1.147 390 P CA 0.936 64.016 63.100 -0.034 0.000 0.790 390 P CB -0.162 31.519 31.700 -0.031 0.000 0.780 391 N N -0.890 117.748 118.700 -0.103 0.000 2.364 391 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 391 N C 0.090 175.428 175.510 -0.287 0.000 1.022 391 N CA 0.780 53.697 53.050 -0.221 0.000 0.883 391 N CB -0.389 37.856 38.487 -0.403 0.000 0.965 391 N HN 0.237 nan 8.380 nan 0.000 0.438 392 F N 0.589 120.471 119.950 -0.113 0.000 2.405 392 F HA 0.282 4.808 4.527 -0.001 0.000 0.355 392 F C 0.365 176.088 175.800 -0.130 0.000 1.121 392 F CA -0.789 57.146 58.000 -0.108 0.000 1.112 392 F CB 1.089 39.895 39.000 -0.323 0.000 1.126 392 F HN -0.375 nan 8.300 nan 0.000 0.481 393 V N 4.924 124.955 119.914 0.195 0.000 2.383 393 V HA 0.245 4.364 4.120 -0.000 0.000 0.275 393 V C -0.518 175.691 176.094 0.193 0.000 1.036 393 V CA -0.726 61.635 62.300 0.103 0.000 0.889 393 V CB 0.327 32.170 31.823 0.034 0.000 0.985 393 V HN 0.446 nan 8.190 nan 0.000 0.459 394 Y N 3.579 123.821 120.300 -0.098 0.000 2.487 394 Y HA 0.784 5.334 4.550 -0.001 0.000 0.337 394 Y C 0.412 176.261 175.900 -0.084 0.000 1.076 394 Y CA -1.638 56.387 58.100 -0.125 0.000 1.115 394 Y CB 1.916 40.102 38.460 -0.456 0.000 1.235 394 Y HN 0.903 nan 8.280 nan 0.000 0.468 395 C N 1.258 120.681 119.300 0.204 0.000 3.321 395 C HA 0.639 5.098 4.460 -0.000 0.000 0.329 395 C C 0.690 175.882 174.990 0.335 0.000 1.394 395 C CA -1.037 58.083 59.018 0.170 0.000 1.291 395 C CB 0.591 28.313 27.740 -0.031 0.000 1.606 395 C HN 0.902 nan 8.230 nan 0.000 0.463 396 I N -2.040 118.690 120.570 0.267 0.000 4.139 396 I HA 0.335 4.504 4.170 -0.000 0.000 0.335 396 I C -0.083 176.230 176.117 0.327 0.000 1.327 396 I CA 0.455 61.916 61.300 0.269 0.000 1.112 396 I CB -0.060 38.016 38.000 0.126 0.000 1.058 396 I HN 0.682 nan 8.210 nan 0.000 0.396 397 Q N 2.629 122.551 119.800 0.202 0.000 2.353 397 Q HA 0.438 4.778 4.340 -0.000 0.000 0.275 397 Q C -1.581 174.379 176.000 -0.067 0.000 1.029 397 Q CA -0.435 55.417 55.803 0.083 0.000 0.848 397 Q CB 2.622 31.421 28.738 0.102 0.000 1.390 397 Q HN 0.564 nan 8.270 nan 0.000 0.401 398 N N -1.549 116.995 118.700 -0.261 0.000 3.277 398 N HA 0.132 4.872 4.740 -0.000 0.000 0.278 398 N C 0.395 175.488 175.510 -0.694 0.000 1.544 398 N CA -0.336 52.513 53.050 -0.336 0.000 0.869 398 N CB -0.128 38.202 38.487 -0.262 0.000 1.584 398 N HN 0.608 nan 8.380 nan 0.000 0.564 399 H N -2.173 116.578 119.070 -0.531 0.000 2.387 399 H HA 0.059 4.614 4.556 -0.001 0.000 0.299 399 H C 0.328 175.403 175.328 -0.420 0.000 1.099 399 H CA 1.840 57.450 56.048 -0.730 0.000 1.315 399 H CB -0.198 29.285 29.762 -0.466 0.000 1.380 399 H HN 0.516 nan 8.280 nan 0.000 0.513 400 D N 0.264 120.265 120.400 -0.665 0.000 2.123 400 D HA -0.093 4.546 4.640 -0.000 0.000 0.200 400 D C 1.996 178.224 176.300 -0.121 0.000 0.976 400 D CA 0.875 54.741 54.000 -0.223 0.000 0.831 400 D CB -0.061 40.598 40.800 -0.235 0.000 0.974 400 D HN 0.442 nan 8.370 nan 0.000 0.469 401 Q N -0.043 119.627 119.800 -0.216 0.000 2.435 401 Q HA 0.084 4.423 4.340 -0.000 0.000 0.207 401 Q C 2.151 178.129 176.000 -0.038 0.000 0.956 401 Q CA 0.226 55.969 55.803 -0.100 0.000 0.917 401 Q CB 0.514 29.051 28.738 -0.335 0.000 0.997 401 Q HN 0.444 nan 8.270 nan 0.000 0.497 402 I N -1.124 119.362 120.570 -0.140 0.000 2.681 402 I HA 0.024 4.194 4.170 -0.000 0.000 0.247 402 I C 2.107 178.243 176.117 0.032 0.000 1.091 402 I CA 0.896 62.148 61.300 -0.081 0.000 1.442 402 I CB -0.382 37.497 38.000 -0.200 0.000 1.219 402 I HN 0.105 nan 8.210 nan 0.000 0.451 403 G N 1.693 110.576 108.800 0.138 0.000 2.484 403 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 403 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 403 G C 1.267 176.387 174.900 0.367 0.000 1.130 403 G CA 0.663 46.028 45.100 0.441 0.000 0.784 403 G HN 0.469 nan 8.290 nan 0.000 0.543 404 N N 0.597 119.363 118.700 0.109 0.000 2.467 404 N HA -0.012 4.727 4.740 -0.000 0.000 0.184 404 N C 0.758 176.070 175.510 -0.328 0.000 1.106 404 N CA -0.133 52.725 53.050 -0.320 0.000 0.892 404 N CB -0.195 37.948 38.487 -0.573 0.000 0.969 404 N HN 0.204 nan 8.380 nan 0.000 0.454 405 R N 0.965 121.347 120.500 -0.197 0.000 2.594 405 R HA 0.140 4.480 4.340 -0.000 0.000 0.272 405 R C -1.445 174.651 176.300 -0.339 0.000 1.074 405 R CA -1.403 54.540 56.100 -0.262 0.000 1.105 405 R CB 0.235 30.431 30.300 -0.173 0.000 1.008 405 R HN 0.043 nan 8.270 nan 0.000 0.472 406 P HA -0.196 nan 4.420 nan 0.000 0.216 406 P C 0.630 177.667 177.300 -0.439 0.000 1.157 406 P CA 1.634 64.136 63.100 -0.997 0.000 0.880 406 P CB 0.164 31.390 31.700 -0.789 0.000 0.791 407 L N -3.347 117.724 121.223 -0.253 0.000 2.728 407 L HA 0.378 4.717 4.340 -0.000 0.000 0.238 407 L C 1.186 178.021 176.870 -0.058 0.000 1.143 407 L CA 0.294 55.059 54.840 -0.126 0.000 0.937 407 L CB -0.748 41.248 42.059 -0.104 0.000 1.225 407 L HN 0.091 nan 8.230 nan 0.000 0.507 408 G N 1.774 110.543 108.800 -0.050 0.000 2.249 408 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 408 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 408 G C 0.269 175.180 174.900 0.019 0.000 1.036 408 G CA 0.568 45.687 45.100 0.030 0.000 0.824 408 G HN 0.560 nan 8.290 nan 0.000 0.504 409 E N 0.374 120.552 120.200 -0.037 0.000 2.343 409 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 409 E C 0.546 177.104 176.600 -0.069 0.000 1.047 409 E CA -0.618 55.744 56.400 -0.063 0.000 0.874 409 E CB 0.983 30.624 29.700 -0.098 0.000 1.033 409 E HN 0.486 nan 8.360 nan 0.000 0.409 410 R N 1.086 121.516 120.500 -0.117 0.000 2.583 410 R HA 0.142 4.482 4.340 -0.000 0.000 0.268 410 R C 1.303 177.532 176.300 -0.118 0.000 1.101 410 R CA -0.643 55.405 56.100 -0.087 0.000 1.180 410 R CB 0.304 30.567 30.300 -0.062 0.000 1.128 410 R HN 0.483 nan 8.270 nan 0.000 0.568 411 L N 2.024 123.298 121.223 0.086 0.000 2.012 411 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 411 L C 2.260 179.163 176.870 0.057 0.000 1.073 411 L CA 1.921 56.846 54.840 0.141 0.000 0.748 411 L CB -0.708 41.559 42.059 0.347 0.000 0.891 411 L HN 0.717 nan 8.230 nan 0.000 0.431 412 H N -1.251 117.732 119.070 -0.145 0.000 2.561 412 H HA -0.035 4.521 4.556 -0.000 0.000 0.278 412 H C 1.199 176.438 175.328 -0.149 0.000 1.014 412 H CA 1.039 56.929 56.048 -0.262 0.000 1.211 412 H CB -0.417 28.910 29.762 -0.727 0.000 1.365 412 H HN 0.586 nan 8.280 nan 0.000 0.594 413 Q N 0.649 120.152 119.800 -0.496 0.000 2.247 413 Q HA 0.224 4.564 4.340 -0.000 0.000 0.211 413 Q C 0.020 175.917 176.000 -0.172 0.000 0.861 413 Q CA -0.281 55.325 55.803 -0.329 0.000 0.949 413 Q CB 1.032 29.534 28.738 -0.393 0.000 1.115 413 Q HN 0.156 nan 8.270 nan 0.000 0.507 414 S N 1.383 117.004 115.700 -0.131 0.000 2.584 414 S HA 0.058 4.527 4.470 -0.000 0.000 0.273 414 S C -0.341 174.219 174.600 -0.067 0.000 1.311 414 S CA -0.567 57.580 58.200 -0.090 0.000 1.034 414 S CB 0.796 63.948 63.200 -0.081 0.000 0.939 414 S HN 0.181 nan 8.310 nan 0.000 0.513 415 D N 0.737 121.101 120.400 -0.060 0.000 2.434 415 D HA 0.395 5.035 4.640 -0.000 0.000 0.252 415 D C 1.154 177.430 176.300 -0.039 0.000 1.185 415 D CA 1.663 55.635 54.000 -0.047 0.000 0.886 415 D CB -0.025 40.750 40.800 -0.043 0.000 1.148 415 D HN 0.698 nan 8.370 nan 0.000 0.483 416 G N 2.143 110.926 108.800 -0.029 0.000 2.238 416 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 416 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 416 G C 0.118 175.014 174.900 -0.007 0.000 0.996 416 G CA 0.019 45.106 45.100 -0.022 0.000 0.632 416 G HN 0.592 nan 8.290 nan 0.000 0.503 417 V N 3.160 123.076 119.914 0.003 0.000 2.406 417 V HA 0.593 4.713 4.120 -0.000 0.000 0.272 417 V C 1.098 177.227 176.094 0.059 0.000 1.043 417 V CA 0.264 62.592 62.300 0.046 0.000 0.915 417 V CB 0.990 32.852 31.823 0.065 0.000 0.988 417 V HN 0.732 nan 8.190 nan 0.000 0.466 418 T N 2.416 117.022 114.554 0.086 0.000 2.902 418 T HA 0.484 4.834 4.350 -0.000 0.000 0.280 418 T C 1.080 175.875 174.700 0.158 0.000 0.992 418 T CA -0.642 61.503 62.100 0.075 0.000 1.015 418 T CB 1.103 69.992 68.868 0.034 0.000 1.044 418 T HN 0.316 nan 8.240 nan 0.000 0.520 419 L N 0.298 121.598 121.223 0.129 0.000 2.201 419 L HA -0.061 4.278 4.340 -0.000 0.000 0.212 419 L C 2.779 179.879 176.870 0.383 0.000 1.105 419 L CA 1.290 56.264 54.840 0.225 0.000 0.775 419 L CB -0.616 41.536 42.059 0.155 0.000 0.913 419 L HN 0.847 nan 8.230 nan 0.000 0.440 420 H N -0.575 118.598 119.070 0.171 0.000 2.357 420 H HA -0.162 4.394 4.556 -0.001 0.000 0.301 420 H C 2.052 177.524 175.328 0.240 0.000 1.082 420 H CA 1.173 57.330 56.048 0.181 0.000 1.342 420 H CB 0.242 30.097 29.762 0.155 0.000 1.389 420 H HN 0.411 nan 8.280 nan 0.000 0.511 421 E N 0.362 120.801 120.200 0.397 0.000 2.077 421 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 421 E C 1.875 178.735 176.600 0.433 0.000 0.989 421 E CA 0.948 57.613 56.400 0.441 0.000 0.800 421 E CB -0.123 29.767 29.700 0.317 0.000 0.746 421 E HN 0.441 nan 8.360 nan 0.000 0.452 422 Y N 1.624 122.059 120.300 0.225 0.000 2.165 422 Y HA -0.207 4.343 4.550 -0.001 0.000 0.286 422 Y C 2.142 178.104 175.900 0.104 0.000 1.155 422 Y CA 1.627 59.831 58.100 0.173 0.000 1.164 422 Y CB 0.068 38.628 38.460 0.165 0.000 0.978 422 Y HN -0.149 nan 8.280 nan 0.000 0.513 423 R N -0.748 119.858 120.500 0.177 0.000 2.092 423 R HA -0.093 4.246 4.340 -0.000 0.000 0.231 423 R C 2.558 178.735 176.300 -0.204 0.000 1.119 423 R CA 1.010 57.104 56.100 -0.010 0.000 0.970 423 R CB -0.883 29.464 30.300 0.078 0.000 0.864 423 R HN 0.500 nan 8.270 nan 0.000 0.440 424 G N 0.827 109.520 108.800 -0.179 0.000 2.418 424 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 424 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 424 G C 1.540 175.718 174.900 -1.204 0.000 1.158 424 G CA 0.834 45.550 45.100 -0.640 0.000 0.771 424 G HN 0.405 nan 8.290 nan 0.000 0.545 425 A N 1.130 123.455 122.820 -0.825 0.000 1.933 425 A HA 0.281 4.600 4.320 -0.000 0.000 0.218 425 A C 2.808 180.103 177.584 -0.482 0.000 1.175 425 A CA 2.160 53.761 52.037 -0.728 0.000 0.628 425 A CB -0.724 18.189 19.000 -0.145 0.000 0.814 425 A HN 0.773 nan 8.150 nan 0.000 0.444 426 A N -0.068 122.480 122.820 -0.453 0.000 1.902 426 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 426 A C 2.497 179.818 177.584 -0.439 0.000 1.181 426 A CA 2.102 53.857 52.037 -0.469 0.000 0.623 426 A CB -0.985 17.577 19.000 -0.731 0.000 0.818 426 A HN 1.048 nan 8.150 nan 0.000 0.443 427 A N -0.551 121.995 122.820 -0.456 0.000 1.902 427 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 427 A C 2.132 179.540 177.584 -0.293 0.000 1.181 427 A CA 1.702 53.523 52.037 -0.361 0.000 0.623 427 A CB -0.615 18.172 19.000 -0.355 0.000 0.818 427 A HN 0.679 nan 8.150 nan 0.000 0.443 428 L N -0.608 120.394 121.223 -0.369 0.000 1.976 428 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 428 L C 2.285 179.126 176.870 -0.050 0.000 1.071 428 L CA 2.282 57.020 54.840 -0.170 0.000 0.746 428 L CB -0.729 41.235 42.059 -0.158 0.000 0.890 428 L HN 0.352 nan 8.230 nan 0.000 0.432 429 L N -0.594 120.611 121.223 -0.030 0.000 2.013 429 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 429 L C 2.148 178.979 176.870 -0.065 0.000 1.073 429 L CA 1.987 56.833 54.840 0.009 0.000 0.753 429 L CB -0.602 41.488 42.059 0.052 0.000 0.890 429 L HN 0.332 nan 8.230 nan 0.000 0.432 430 L N -1.058 120.097 121.223 -0.114 0.000 2.591 430 L HA 0.012 4.352 4.340 -0.000 0.000 0.228 430 L C 1.758 178.571 176.870 -0.096 0.000 1.133 430 L CA 0.896 55.670 54.840 -0.110 0.000 0.880 430 L CB -0.679 41.288 42.059 -0.154 0.000 1.033 430 L HN 0.497 nan 8.230 nan 0.000 0.450 431 T N -3.755 110.744 114.554 -0.093 0.000 3.040 431 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 431 T C 0.689 175.355 174.700 -0.058 0.000 1.058 431 T CA -0.236 61.822 62.100 -0.070 0.000 0.988 431 T CB 0.042 68.870 68.868 -0.067 0.000 0.993 431 T HN -0.006 nan 8.240 nan 0.000 0.519 432 L N 2.995 124.177 121.223 -0.067 0.000 2.436 432 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 432 L C -1.621 175.182 176.870 -0.112 0.000 1.168 432 L CA -2.190 52.600 54.840 -0.084 0.000 0.815 432 L CB 0.472 42.468 42.059 -0.105 0.000 1.109 432 L HN 0.113 nan 8.230 nan 0.000 0.462 436 P HA 0.695 nan 4.420 nan 0.000 0.284 436 P C -1.047 176.289 177.300 0.060 0.000 1.258 436 P CA -0.833 62.265 63.100 -0.005 0.000 0.824 436 P CB 1.592 33.279 31.700 -0.021 0.000 1.038 437 L N 2.291 123.540 121.223 0.043 0.000 2.386 437 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 437 L C -1.356 175.531 176.870 0.028 0.000 0.993 437 L CA -0.908 53.960 54.840 0.047 0.000 0.819 437 L CB 1.407 43.368 42.059 -0.163 0.000 1.294 437 L HN 0.202 nan 8.230 nan 0.000 0.414 438 L N 3.689 124.938 121.223 0.044 0.000 2.342 438 L HA 0.493 4.832 4.340 -0.000 0.000 0.271 438 L C -0.934 175.848 176.870 -0.147 0.000 1.008 438 L CA -0.598 54.243 54.840 0.003 0.000 0.818 438 L CB 1.944 44.042 42.059 0.064 0.000 1.296 438 L HN 0.499 nan 8.230 nan 0.000 0.427 439 F N 2.003 121.773 119.950 -0.301 0.000 2.385 439 F HA 0.268 4.795 4.527 -0.000 0.000 0.336 439 F C 0.430 175.875 175.800 -0.592 0.000 1.100 439 F CA -0.662 57.094 58.000 -0.406 0.000 1.116 439 F CB 1.180 40.005 39.000 -0.291 0.000 1.166 439 F HN 0.536 nan 8.300 nan 0.000 0.511 440 Q N 3.824 122.748 119.800 -1.460 0.000 2.308 440 Q HA 0.263 4.603 4.340 -0.000 0.000 0.313 440 Q C 0.822 176.411 176.000 -0.684 0.000 1.075 440 Q CA 0.665 55.855 55.803 -1.021 0.000 0.995 440 Q CB -0.046 28.320 28.738 -0.621 0.000 1.107 440 Q HN 1.173 nan 8.270 nan 0.000 0.380 441 G N 2.563 110.945 108.800 -0.697 0.000 2.225 441 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.254 441 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.254 441 G C 0.804 175.140 174.900 -0.939 0.000 0.988 441 G CA 0.575 44.868 45.100 -1.344 0.000 0.625 441 G HN 0.891 nan 8.290 nan 0.000 0.527 442 Q N 0.757 120.283 119.800 -0.457 0.000 2.291 442 Q HA -0.023 4.317 4.340 -0.000 0.000 0.205 442 Q C 2.042 177.783 176.000 -0.432 0.000 0.970 442 Q CA 1.783 57.457 55.803 -0.216 0.000 0.876 442 Q CB -0.332 28.395 28.738 -0.019 0.000 0.935 442 Q HN 0.633 nan 8.270 nan 0.000 0.455 443 E N 0.899 120.725 120.200 -0.624 0.000 2.338 443 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 443 E C 0.780 177.240 176.600 -0.234 0.000 1.007 443 E CA 0.977 56.807 56.400 -0.948 0.000 0.849 443 E CB -0.282 29.184 29.700 -0.388 0.000 0.774 443 E HN 0.836 nan 8.360 nan 0.000 0.506 444 W N -0.161 121.086 121.300 -0.089 0.000 2.818 444 W HA 0.722 5.381 4.660 -0.000 0.000 0.403 444 W C 0.192 176.779 176.519 0.114 0.000 0.991 444 W CA -0.701 56.673 57.345 0.048 0.000 1.925 444 W CB -0.112 29.375 29.460 0.045 0.000 1.166 444 W HN 0.141 nan 8.180 nan 0.000 0.605 445 A N 0.926 123.743 122.820 -0.005 0.000 2.519 445 A HA 0.090 4.410 4.320 -0.000 0.000 0.297 445 A C 1.069 178.644 177.584 -0.015 0.000 1.472 445 A CA 0.726 52.543 52.037 -0.367 0.000 0.739 445 A CB -1.886 16.835 19.000 -0.465 0.000 1.096 445 A HN 1.475 nan 8.150 nan 0.000 0.414 446 A N 0.730 123.448 122.820 -0.170 0.000 2.561 446 A HA 0.462 4.782 4.320 -0.000 0.000 0.234 446 A C 1.591 179.332 177.584 0.262 0.000 1.055 446 A CA 0.796 52.798 52.037 -0.059 0.000 0.756 446 A CB -0.013 18.750 19.000 -0.395 0.000 0.986 446 A HN 2.081 nan 8.150 nan 0.000 0.505 447 S N 0.871 116.717 115.700 0.243 0.000 2.527 447 S HA 0.038 4.508 4.470 -0.000 0.000 0.222 447 S C 0.797 175.464 174.600 0.110 0.000 0.985 447 S CA 0.690 59.023 58.200 0.222 0.000 0.921 447 S CB -0.705 62.615 63.200 0.199 0.000 0.772 447 S HN 1.170 nan 8.310 nan 0.000 0.529 448 T N 1.500 116.109 114.554 0.092 0.000 2.875 448 T HA 0.598 4.947 4.350 -0.000 0.000 0.284 448 T C -2.713 172.044 174.700 0.096 0.000 0.995 448 T CA -2.166 59.980 62.100 0.077 0.000 1.060 448 T CB 1.429 70.341 68.868 0.074 0.000 0.967 448 T HN 0.063 nan 8.240 nan 0.000 0.476 449 P HA 0.325 nan 4.420 nan 0.000 0.275 449 P C -1.181 176.270 177.300 0.252 0.000 1.266 449 P CA -0.671 62.501 63.100 0.119 0.000 0.793 449 P CB 0.526 32.271 31.700 0.075 0.000 1.074 450 F N 0.376 120.392 119.950 0.110 0.000 2.532 450 F HA 0.328 4.855 4.527 -0.001 0.000 0.365 450 F C -0.050 175.902 175.800 0.252 0.000 1.112 450 F CA -0.443 57.670 58.000 0.189 0.000 1.082 450 F CB 1.054 40.122 39.000 0.112 0.000 1.319 450 F HN 0.185 nan 8.300 nan 0.000 0.457 451 Q N 3.706 123.510 119.800 0.007 0.000 2.193 451 Q HA 0.316 4.656 4.340 -0.000 0.000 0.246 451 Q C -1.115 175.011 176.000 0.211 0.000 0.959 451 Q CA -1.091 54.804 55.803 0.155 0.000 0.904 451 Q CB 2.149 30.984 28.738 0.161 0.000 1.238 451 Q HN 0.634 nan 8.270 nan 0.000 0.469 452 F N 2.993 122.967 119.950 0.041 0.000 2.472 452 F HA 0.280 4.807 4.527 -0.000 0.000 0.364 452 F C -1.040 174.587 175.800 -0.288 0.000 1.090 452 F CA -0.456 57.260 58.000 -0.473 0.000 1.188 452 F CB 0.073 38.707 39.000 -0.611 0.000 1.105 452 F HN 0.354 nan 8.300 nan 0.000 0.536 453 F N 3.033 122.361 119.950 -1.036 0.000 2.588 453 F HA 0.849 5.376 4.527 -0.000 0.000 0.314 453 F C -0.867 174.408 175.800 -0.876 0.000 1.069 453 F CA -0.947 56.678 58.000 -0.626 0.000 0.931 453 F CB 1.220 40.116 39.000 -0.173 0.000 1.260 453 F HN 0.413 nan 8.300 nan 0.000 0.465 454 S N -0.084 115.458 115.700 -0.264 0.000 2.656 454 S HA 0.641 5.111 4.470 -0.000 0.000 0.273 454 S C -1.717 172.835 174.600 -0.079 0.000 1.168 454 S CA -0.642 57.420 58.200 -0.230 0.000 0.817 454 S CB 2.000 65.124 63.200 -0.126 0.000 1.146 454 S HN 0.844 nan 8.310 nan 0.000 0.475 455 D N -0.223 120.090 120.400 -0.144 0.000 3.256 455 D HA 0.241 4.880 4.640 -0.000 0.000 0.332 455 D C -0.997 175.246 176.300 -0.094 0.000 1.327 455 D CA -0.156 53.803 54.000 -0.069 0.000 0.735 455 D CB -0.082 40.692 40.800 -0.042 0.000 1.280 455 D HN 0.549 nan 8.370 nan 0.000 0.572 456 H N 0.151 119.276 119.070 0.092 0.000 2.547 456 H HA 0.644 5.200 4.556 -0.000 0.000 0.362 456 H C 0.353 175.732 175.328 0.086 0.000 1.181 456 H CA -0.140 55.970 56.048 0.102 0.000 1.376 456 H CB 1.497 31.319 29.762 0.099 0.000 1.488 456 H HN 0.315 nan 8.280 nan 0.000 0.583 457 A N 1.224 124.188 122.820 0.241 0.000 2.286 457 A HA 0.529 4.849 4.320 -0.000 0.000 0.286 457 A C 1.027 178.679 177.584 0.113 0.000 1.097 457 A CA 0.340 52.464 52.037 0.145 0.000 0.821 457 A CB 0.004 19.081 19.000 0.127 0.000 1.076 457 A HN 0.928 nan 8.150 nan 0.000 0.490 458 G N 0.932 109.777 108.800 0.075 0.000 2.582 458 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.288 458 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.288 458 G C 0.601 175.530 174.900 0.048 0.000 1.247 458 G CA 0.962 46.092 45.100 0.050 0.000 0.972 458 G HN 0.848 nan 8.290 nan 0.000 0.557 459 E N -0.336 119.882 120.200 0.030 0.000 2.150 459 E HA 0.014 4.363 4.350 -0.000 0.000 0.193 459 E C 2.578 179.191 176.600 0.022 0.000 0.985 459 E CA 1.172 57.585 56.400 0.021 0.000 0.814 459 E CB -0.112 29.591 29.700 0.006 0.000 0.752 459 E HN 0.412 nan 8.360 nan 0.000 0.466 460 L N 0.585 121.819 121.223 0.019 0.000 2.012 460 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 460 L C 2.139 179.039 176.870 0.050 0.000 1.073 460 L CA 2.288 57.125 54.840 -0.004 0.000 0.748 460 L CB -0.981 41.046 42.059 -0.054 0.000 0.891 460 L HN 0.150 nan 8.230 nan 0.000 0.431 461 G N -1.565 107.305 108.800 0.117 0.000 2.418 461 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 461 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 461 G C 1.451 176.416 174.900 0.108 0.000 1.158 461 G CA 0.717 45.912 45.100 0.159 0.000 0.771 461 G HN 0.561 nan 8.290 nan 0.000 0.545 462 Q N 0.063 119.908 119.800 0.075 0.000 2.226 462 Q HA 0.073 4.412 4.340 -0.000 0.000 0.204 462 Q C 2.758 178.789 176.000 0.052 0.000 0.975 462 Q CA 0.962 56.800 55.803 0.059 0.000 0.866 462 Q CB -0.136 28.628 28.738 0.043 0.000 0.915 462 Q HN 0.509 nan 8.270 nan 0.000 0.440 463 A N -0.007 122.839 122.820 0.044 0.000 2.123 463 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 463 A C 2.159 179.767 177.584 0.040 0.000 1.152 463 A CA 0.260 52.314 52.037 0.028 0.000 0.728 463 A CB -0.049 18.954 19.000 0.004 0.000 0.814 463 A HN 0.160 nan 8.150 nan 0.000 0.464 464 V N -0.157 119.803 119.914 0.076 0.000 2.287 464 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 464 V C 2.825 178.971 176.094 0.087 0.000 1.053 464 V CA 2.361 64.723 62.300 0.105 0.000 1.027 464 V CB -0.923 31.019 31.823 0.198 0.000 0.646 464 V HN 0.680 nan 8.190 nan 0.000 0.447 465 S N -0.488 115.273 115.700 0.101 0.000 2.359 465 S HA -0.265 4.205 4.470 -0.000 0.000 0.223 465 S C 2.032 176.676 174.600 0.073 0.000 1.039 465 S CA 1.911 60.174 58.200 0.106 0.000 1.042 465 S CB -0.322 62.940 63.200 0.103 0.000 0.915 465 S HN 0.635 nan 8.310 nan 0.000 0.439 466 E N 0.348 120.575 120.200 0.045 0.000 2.150 466 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 466 E C 2.228 178.814 176.600 -0.023 0.000 0.985 466 E CA 0.936 57.347 56.400 0.018 0.000 0.814 466 E CB -0.976 28.731 29.700 0.011 0.000 0.752 466 E HN 0.654 nan 8.360 nan 0.000 0.466 467 G N 1.651 110.431 108.800 -0.033 0.000 2.418 467 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 467 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 467 G C 1.694 176.515 174.900 -0.131 0.000 1.158 467 G CA 0.271 45.322 45.100 -0.081 0.000 0.771 467 G HN 0.107 nan 8.290 nan 0.000 0.545 468 R N 0.637 121.074 120.500 -0.106 0.000 2.073 468 R HA -0.026 4.313 4.340 -0.000 0.000 0.234 468 R C 2.581 178.730 176.300 -0.252 0.000 1.134 468 R CA 1.322 57.337 56.100 -0.141 0.000 0.952 468 R CB -0.531 29.744 30.300 -0.042 0.000 0.850 468 R HN 0.365 nan 8.270 nan 0.000 0.433 469 K N 0.570 120.897 120.400 -0.121 0.000 2.097 469 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 469 K C 2.139 178.659 176.600 -0.134 0.000 1.049 469 K CA 1.352 57.584 56.287 -0.091 0.000 0.933 469 K CB -0.069 32.475 32.500 0.075 0.000 0.717 469 K HN 0.065 nan 8.250 nan 0.000 0.442 470 K N 1.493 121.809 120.400 -0.139 0.000 2.031 470 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 470 K C 2.063 178.515 176.600 -0.247 0.000 1.049 470 K CA 1.383 57.578 56.287 -0.153 0.000 0.939 470 K CB 0.094 32.514 32.500 -0.134 0.000 0.717 470 K HN 0.073 nan 8.250 nan 0.000 0.438 471 E N -0.677 119.307 120.200 -0.361 0.000 2.110 471 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 471 E C 0.171 176.303 176.600 -0.780 0.000 0.988 471 E CA 1.085 57.118 56.400 -0.611 0.000 0.804 471 E CB 0.083 29.325 29.700 -0.763 0.000 0.745 471 E HN 0.308 nan 8.360 nan 0.000 0.458 472 F N -0.614 119.142 119.950 -0.323 0.000 2.850 472 F HA 0.355 4.883 4.527 0.000 0.000 0.306 472 F C 1.439 177.187 175.800 -0.087 0.000 1.162 472 F CA -0.056 57.810 58.000 -0.223 0.000 1.327 472 F CB 0.798 39.438 39.000 -0.600 0.000 0.953 472 F HN 0.009 nan 8.300 nan 0.000 0.507 473 G N 0.203 108.998 108.800 -0.007 0.000 2.498 473 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 473 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 473 G C 1.904 176.840 174.900 0.061 0.000 1.119 473 G CA 0.801 45.923 45.100 0.038 0.000 0.766 473 G HN 0.548 nan 8.290 nan 0.000 0.552 474 G N -0.227 108.581 108.800 0.013 0.000 2.679 474 G HA2 0.113 4.073 3.960 -0.000 0.000 0.212 474 G HA3 0.113 4.073 3.960 -0.000 0.000 0.212 474 G C 0.027 174.764 174.900 -0.272 0.000 1.137 474 G CA -0.271 44.734 45.100 -0.158 0.000 0.787 474 G HN 0.281 nan 8.290 nan 0.000 0.534 475 F N 1.200 121.252 119.950 0.170 0.000 2.332 475 F HA 0.276 4.803 4.527 -0.000 0.000 0.368 475 F C 1.646 177.585 175.800 0.232 0.000 1.110 475 F CA -0.667 57.464 58.000 0.219 0.000 1.087 475 F CB 1.781 40.992 39.000 0.352 0.000 1.235 475 F HN 0.057 nan 8.300 nan 0.000 0.470 476 S N 1.152 116.995 115.700 0.239 0.000 2.440 476 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 476 S C 2.209 176.903 174.600 0.157 0.000 1.010 476 S CA 1.072 59.369 58.200 0.160 0.000 0.972 476 S CB -0.722 62.527 63.200 0.081 0.000 0.774 476 S HN 0.775 nan 8.310 nan 0.000 0.501 477 G N 0.256 109.143 108.800 0.144 0.000 2.470 477 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.220 477 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.220 477 G C 0.925 175.791 174.900 -0.057 0.000 1.121 477 G CA 0.425 45.526 45.100 0.001 0.000 0.766 477 G HN 0.570 nan 8.290 nan 0.000 0.553 478 F N 1.704 121.712 119.950 0.096 0.000 2.502 478 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 478 F C 2.685 178.524 175.800 0.065 0.000 1.111 478 F CA 1.243 59.294 58.000 0.085 0.000 1.445 478 F CB 0.278 39.354 39.000 0.128 0.000 1.081 478 F HN 0.209 nan 8.300 nan 0.000 0.558 479 S N -1.229 114.590 115.700 0.198 0.000 2.577 479 S HA 0.317 4.786 4.470 -0.000 0.000 0.219 479 S C 1.156 175.800 174.600 0.072 0.000 0.962 479 S CA -0.063 58.211 58.200 0.124 0.000 0.921 479 S CB -0.666 62.595 63.200 0.102 0.000 0.789 479 S HN 0.142 nan 8.310 nan 0.000 0.497 480 G N 0.923 109.753 108.800 0.050 0.000 2.553 480 G HA2 0.389 4.349 3.960 -0.000 0.000 0.278 480 G HA3 0.389 4.349 3.960 -0.000 0.000 0.278 480 G C 0.215 175.128 174.900 0.020 0.000 1.349 480 G CA -0.555 44.557 45.100 0.020 0.000 1.037 480 G HN 0.408 nan 8.290 nan 0.000 0.508 481 E N -0.744 119.462 120.200 0.010 0.000 2.460 481 E HA 0.013 4.363 4.350 -0.000 0.000 0.200 481 E C 0.469 177.074 176.600 0.008 0.000 1.011 481 E CA 0.262 56.671 56.400 0.014 0.000 0.912 481 E CB 0.451 30.159 29.700 0.013 0.000 0.953 481 E HN 0.581 nan 8.360 nan 0.000 0.494 482 D N 0.152 120.549 120.400 -0.007 0.000 2.424 482 D HA 0.009 4.649 4.640 -0.000 0.000 0.220 482 D C 0.226 176.512 176.300 -0.023 0.000 1.150 482 D CA -0.206 53.787 54.000 -0.012 0.000 0.831 482 D CB 0.000 40.788 40.800 -0.020 0.000 0.981 482 D HN -0.176 nan 8.370 nan 0.000 0.500 483 V N 3.059 122.959 119.914 -0.024 0.000 2.529 483 V HA 0.146 4.266 4.120 -0.000 0.000 0.292 483 V C -1.692 174.413 176.094 0.017 0.000 1.028 483 V CA -1.041 61.237 62.300 -0.037 0.000 1.074 483 V CB 0.420 32.232 31.823 -0.018 0.000 0.958 483 V HN 0.174 nan 8.190 nan 0.000 0.481 484 P HA 0.073 nan 4.420 nan 0.000 0.271 484 P C -0.515 176.840 177.300 0.092 0.000 1.220 484 P CA -0.266 62.869 63.100 0.057 0.000 0.768 484 P CB 0.556 32.294 31.700 0.063 0.000 0.848 485 D N 5.203 125.657 120.400 0.089 0.000 2.382 485 D HA 0.003 4.643 4.640 -0.000 0.000 0.259 485 D C -1.094 175.280 176.300 0.124 0.000 1.224 485 D CA -2.001 52.061 54.000 0.104 0.000 0.894 485 D CB 0.614 41.465 40.800 0.084 0.000 1.127 485 D HN 0.200 nan 8.370 nan 0.000 0.487 486 P HA -0.165 nan 4.420 nan 0.000 0.219 486 P C 0.892 178.256 177.300 0.106 0.000 1.146 486 P CA 0.986 64.178 63.100 0.152 0.000 0.808 486 P CB 0.402 32.259 31.700 0.263 0.000 0.779 487 Q N -0.635 119.229 119.800 0.107 0.000 2.451 487 Q HA 0.151 4.490 4.340 -0.000 0.000 0.206 487 Q C 0.995 177.043 176.000 0.080 0.000 0.947 487 Q CA 0.163 56.018 55.803 0.087 0.000 0.937 487 Q CB -0.055 28.738 28.738 0.091 0.000 1.025 487 Q HN 0.182 nan 8.270 nan 0.000 0.511 488 A N 0.967 123.840 122.820 0.089 0.000 2.363 488 A HA 0.104 4.423 4.320 -0.000 0.000 0.270 488 A C 0.901 178.542 177.584 0.095 0.000 1.121 488 A CA -0.284 51.802 52.037 0.082 0.000 0.800 488 A CB 0.514 19.560 19.000 0.077 0.000 1.052 488 A HN 0.168 nan 8.150 nan 0.000 0.493 489 E N 0.822 121.076 120.200 0.089 0.000 2.097 489 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 489 E C 1.746 178.420 176.600 0.123 0.000 1.000 489 E CA 1.819 58.292 56.400 0.121 0.000 0.804 489 E CB 0.026 29.788 29.700 0.104 0.000 0.740 489 E HN 0.831 nan 8.360 nan 0.000 0.454 490 Q N 0.313 120.162 119.800 0.080 0.000 2.170 490 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 490 Q C 1.923 177.954 176.000 0.051 0.000 0.976 490 Q CA 1.839 57.673 55.803 0.053 0.000 0.858 490 Q CB -0.241 28.523 28.738 0.043 0.000 0.907 490 Q HN 0.153 nan 8.270 nan 0.000 0.433 491 T N 0.142 114.748 114.554 0.086 0.000 2.821 491 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 491 T C 1.203 175.956 174.700 0.088 0.000 1.046 491 T CA 1.180 63.346 62.100 0.110 0.000 1.139 491 T CB -0.446 68.516 68.868 0.157 0.000 0.871 491 T HN 0.384 nan 8.240 nan 0.000 0.454 492 F N 1.931 121.768 119.950 -0.189 0.000 2.113 492 F HA 0.060 4.586 4.527 -0.000 0.000 0.297 492 F C 1.864 177.475 175.800 -0.315 0.000 1.103 492 F CA 0.960 58.607 58.000 -0.588 0.000 1.248 492 F CB -0.675 37.999 39.000 -0.542 0.000 0.999 492 F HN 0.037 nan 8.300 nan 0.000 0.475 493 L N 0.228 121.270 121.223 -0.301 0.000 2.083 493 L HA -0.246 4.093 4.340 -0.000 0.000 0.209 493 L C 2.229 178.983 176.870 -0.193 0.000 1.083 493 L CA 1.145 55.790 54.840 -0.325 0.000 0.752 493 L CB -0.998 40.980 42.059 -0.134 0.000 0.899 493 L HN 0.155 nan 8.230 nan 0.000 0.433 494 N N -0.081 118.562 118.700 -0.094 0.000 2.132 494 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 494 N C 1.838 177.342 175.510 -0.011 0.000 1.015 494 N CA 1.689 54.722 53.050 -0.028 0.000 0.864 494 N CB -0.250 38.247 38.487 0.017 0.000 1.006 494 N HN 0.197 nan 8.380 nan 0.000 0.430 495 S N 0.048 115.725 115.700 -0.038 0.000 2.558 495 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 495 S C 0.409 175.067 174.600 0.097 0.000 0.975 495 S CA -0.007 58.242 58.200 0.082 0.000 0.912 495 S CB 0.401 63.669 63.200 0.113 0.000 0.776 495 S HN 0.171 nan 8.310 nan 0.000 0.526 496 K N 2.160 122.522 120.400 -0.063 0.000 2.448 496 K HA 0.134 4.453 4.320 -0.000 0.000 0.278 496 K C -0.026 176.590 176.600 0.026 0.000 1.009 496 K CA 0.085 56.351 56.287 -0.034 0.000 0.995 496 K CB 0.377 32.802 32.500 -0.124 0.000 0.917 496 K HN 0.291 nan 8.250 nan 0.000 0.481 497 L N 2.712 123.957 121.223 0.037 0.000 2.453 497 L HA -0.009 4.330 4.340 -0.000 0.000 0.272 497 L C 1.009 177.799 176.870 -0.133 0.000 1.182 497 L CA -0.086 54.699 54.840 -0.092 0.000 0.858 497 L CB 0.038 41.910 42.059 -0.312 0.000 1.120 497 L HN 0.511 nan 8.230 nan 0.000 0.474 498 N N 2.303 120.935 118.700 -0.114 0.000 2.527 498 N HA 0.063 4.803 4.740 -0.000 0.000 0.236 498 N C 0.152 175.485 175.510 -0.295 0.000 0.999 498 N CA -0.287 52.695 53.050 -0.113 0.000 0.935 498 N CB 0.645 39.094 38.487 -0.063 0.000 1.132 498 N HN 0.472 nan 8.380 nan 0.000 0.511 499 W N 2.648 123.830 121.300 -0.196 0.000 2.800 499 W HA 0.150 4.810 4.660 -0.001 0.000 0.249 499 W C 1.971 178.217 176.519 -0.456 0.000 1.294 499 W CA 0.276 57.374 57.345 -0.411 0.000 1.402 499 W CB 0.207 29.467 29.460 -0.335 0.000 1.126 499 W HN 0.714 nan 8.180 nan 0.000 0.652 500 A N 0.868 123.600 122.820 -0.146 0.000 1.930 500 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 500 A C 1.909 179.344 177.584 -0.250 0.000 1.176 500 A CA 1.537 53.480 52.037 -0.157 0.000 0.632 500 A CB -0.717 18.230 19.000 -0.088 0.000 0.819 500 A HN 0.473 nan 8.150 nan 0.000 0.445 501 E N 0.921 120.915 120.200 -0.344 0.000 2.268 501 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 501 E C 1.859 178.198 176.600 -0.434 0.000 0.995 501 E CA 1.006 57.191 56.400 -0.359 0.000 0.836 501 E CB -0.476 28.950 29.700 -0.457 0.000 0.763 501 E HN 0.750 nan 8.360 nan 0.000 0.491 502 R N 0.828 120.885 120.500 -0.737 0.000 2.237 502 R HA -0.049 4.291 4.340 -0.000 0.000 0.219 502 R C 1.162 177.340 176.300 -0.202 0.000 1.080 502 R CA 1.020 56.747 56.100 -0.621 0.000 0.995 502 R CB -0.086 29.567 30.300 -1.078 0.000 0.875 502 R HN 0.074 nan 8.270 nan 0.000 0.462 503 E N 1.093 121.189 120.200 -0.173 0.000 2.427 503 E HA 0.080 4.430 4.350 -0.000 0.000 0.196 503 E C 0.632 177.231 176.600 -0.003 0.000 1.028 503 E CA 0.846 57.206 56.400 -0.066 0.000 0.864 503 E CB 0.570 30.227 29.700 -0.071 0.000 0.813 503 E HN 0.533 nan 8.360 nan 0.000 0.514 504 G N -0.975 107.843 108.800 0.029 0.000 2.605 504 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 504 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 504 G C 0.354 175.317 174.900 0.105 0.000 1.304 504 G CA -0.105 45.033 45.100 0.062 0.000 0.941 504 G HN 0.157 nan 8.290 nan 0.000 0.475 505 G N 0.386 109.229 108.800 0.071 0.000 2.582 505 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.288 505 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.288 505 G C 0.947 175.873 174.900 0.043 0.000 1.247 505 G CA 0.693 45.823 45.100 0.051 0.000 0.972 505 G HN 0.689 nan 8.290 nan 0.000 0.557 506 E N 0.394 120.579 120.200 -0.026 0.000 2.274 506 E HA -0.051 4.298 4.350 -0.000 0.000 0.194 506 E C 2.112 178.705 176.600 -0.012 0.000 0.996 506 E CA 1.161 57.542 56.400 -0.033 0.000 0.840 506 E CB -0.289 29.361 29.700 -0.083 0.000 0.772 506 E HN 0.662 nan 8.360 nan 0.000 0.491 507 H N 0.617 119.755 119.070 0.113 0.000 2.321 507 H HA -0.037 4.519 4.556 -0.001 0.000 0.300 507 H C 2.059 177.484 175.328 0.162 0.000 1.087 507 H CA 1.461 57.609 56.048 0.167 0.000 1.319 507 H CB -0.250 29.603 29.762 0.152 0.000 1.379 507 H HN 0.169 nan 8.280 nan 0.000 0.501 508 A N 1.189 124.141 122.820 0.219 0.000 1.933 508 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 508 A C 2.518 180.197 177.584 0.157 0.000 1.175 508 A CA 1.519 53.650 52.037 0.157 0.000 0.628 508 A CB -0.500 18.561 19.000 0.101 0.000 0.814 508 A HN 0.281 nan 8.150 nan 0.000 0.444 509 R N -0.976 119.606 120.500 0.138 0.000 2.092 509 R HA -0.090 4.249 4.340 -0.000 0.000 0.231 509 R C 2.121 178.523 176.300 0.169 0.000 1.119 509 R CA 1.800 57.977 56.100 0.129 0.000 0.970 509 R CB -0.397 29.965 30.300 0.103 0.000 0.864 509 R HN 0.522 nan 8.270 nan 0.000 0.440 510 T N 1.493 116.173 114.554 0.210 0.000 2.777 510 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 510 T C 1.584 176.495 174.700 0.352 0.000 1.040 510 T CA 1.076 63.350 62.100 0.289 0.000 1.141 510 T CB -0.200 68.851 68.868 0.305 0.000 0.868 510 T HN 0.117 nan 8.240 nan 0.000 0.444 511 L N 1.548 122.959 121.223 0.312 0.000 2.046 511 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 511 L C 2.474 179.503 176.870 0.265 0.000 1.077 511 L CA 1.761 56.790 54.840 0.315 0.000 0.747 511 L CB -0.641 41.607 42.059 0.315 0.000 0.896 511 L HN 0.080 nan 8.230 nan 0.000 0.432 512 R N -0.963 119.658 120.500 0.201 0.000 2.091 512 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 512 R C 2.291 178.673 176.300 0.136 0.000 1.136 512 R CA 1.961 58.149 56.100 0.146 0.000 0.959 512 R CB -0.514 29.853 30.300 0.111 0.000 0.856 512 R HN 0.426 nan 8.270 nan 0.000 0.437 513 L N -0.102 121.211 121.223 0.150 0.000 2.017 513 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 513 L C 1.737 178.640 176.870 0.056 0.000 1.073 513 L CA 1.771 56.660 54.840 0.082 0.000 0.745 513 L CB -0.697 41.398 42.059 0.059 0.000 0.894 513 L HN 0.197 nan 8.230 nan 0.000 0.432 514 Y N 0.109 120.438 120.300 0.049 0.000 2.165 514 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 514 Y C 2.761 178.681 175.900 0.033 0.000 1.155 514 Y CA 1.897 60.021 58.100 0.041 0.000 1.164 514 Y CB -0.313 38.197 38.460 0.083 0.000 0.978 514 Y HN 0.164 nan 8.280 nan 0.000 0.513 515 R N -0.140 120.474 120.500 0.191 0.000 2.081 515 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 515 R C 1.669 178.000 176.300 0.052 0.000 1.131 515 R CA 1.648 57.808 56.100 0.101 0.000 0.960 515 R CB -0.378 29.976 30.300 0.089 0.000 0.856 515 R HN 0.349 nan 8.270 nan 0.000 0.436 516 D N 0.697 121.122 120.400 0.041 0.000 2.117 516 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 516 D C 2.014 178.302 176.300 -0.020 0.000 0.982 516 D CA 0.980 54.987 54.000 0.010 0.000 0.828 516 D CB -0.154 40.651 40.800 0.008 0.000 0.967 516 D HN 0.159 nan 8.370 nan 0.000 0.464 517 L N 0.176 121.367 121.223 -0.053 0.000 2.046 517 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 517 L C 2.500 179.336 176.870 -0.057 0.000 1.077 517 L CA 0.691 55.475 54.840 -0.094 0.000 0.747 517 L CB -0.279 41.660 42.059 -0.200 0.000 0.896 517 L HN 0.028 nan 8.230 nan 0.000 0.432 518 L N -0.812 120.397 121.223 -0.022 0.000 2.141 518 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 518 L C 2.769 179.641 176.870 0.003 0.000 1.094 518 L CA 0.946 55.786 54.840 0.000 0.000 0.763 518 L CB -0.434 41.645 42.059 0.034 0.000 0.908 518 L HN 0.222 nan 8.230 nan 0.000 0.437 519 R N 0.242 120.745 120.500 0.004 0.000 2.092 519 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 519 R C 2.310 178.611 176.300 0.002 0.000 1.119 519 R CA 1.215 57.320 56.100 0.008 0.000 0.970 519 R CB -0.157 30.148 30.300 0.009 0.000 0.864 519 R HN 0.182 nan 8.270 nan 0.000 0.440 520 L N 1.267 122.482 121.223 -0.014 0.000 2.046 520 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 520 L C 2.507 179.361 176.870 -0.027 0.000 1.077 520 L CA 1.724 56.546 54.840 -0.028 0.000 0.747 520 L CB -0.481 41.552 42.059 -0.042 0.000 0.896 520 L HN 0.112 nan 8.230 nan 0.000 0.432 521 R N -0.679 119.811 120.500 -0.017 0.000 2.081 521 R HA -0.206 4.133 4.340 -0.000 0.000 0.235 521 R C 2.554 178.894 176.300 0.066 0.000 1.131 521 R CA 1.731 57.832 56.100 0.003 0.000 0.960 521 R CB -0.258 30.034 30.300 -0.014 0.000 0.856 521 R HN 0.347 nan 8.270 nan 0.000 0.436 522 R N 0.229 120.765 120.500 0.060 0.000 2.092 522 R HA -0.103 4.236 4.340 -0.000 0.000 0.231 522 R C 1.373 177.807 176.300 0.222 0.000 1.119 522 R CA 1.826 57.987 56.100 0.102 0.000 0.970 522 R CB 0.109 30.439 30.300 0.050 0.000 0.864 522 R HN 0.352 nan 8.270 nan 0.000 0.440 523 E N -0.270 119.998 120.200 0.115 0.000 2.340 523 E HA -0.019 4.331 4.350 -0.000 0.000 0.198 523 E C -0.212 176.325 176.600 -0.105 0.000 0.961 523 E CA -0.194 56.251 56.400 0.075 0.000 0.905 523 E CB 0.268 29.981 29.700 0.022 0.000 0.884 523 E HN 0.266 nan 8.360 nan 0.000 0.491 524 D N 2.094 122.368 120.400 -0.211 0.000 2.371 524 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 524 D C -1.573 174.318 176.300 -0.682 0.000 1.193 524 D CA -1.690 52.126 54.000 -0.308 0.000 0.881 524 D CB 1.416 42.105 40.800 -0.186 0.000 1.143 524 D HN -0.065 nan 8.370 nan 0.000 0.473 525 P HA -0.092 nan 4.420 nan 0.000 0.223 525 P C 1.417 178.550 177.300 -0.278 0.000 1.151 525 P CA 0.358 63.181 63.100 -0.462 0.000 0.787 525 P CB 0.544 32.147 31.700 -0.161 0.000 0.788 526 V N 0.103 119.891 119.914 -0.209 0.000 2.500 526 V HA -0.069 4.051 4.120 -0.000 0.000 0.243 526 V C 2.601 178.640 176.094 -0.092 0.000 1.039 526 V CA 1.010 63.244 62.300 -0.111 0.000 1.053 526 V CB -0.995 30.777 31.823 -0.085 0.000 0.695 526 V HN -0.012 nan 8.190 nan 0.000 0.463 527 L N -0.333 120.814 121.223 -0.127 0.000 2.456 527 L HA -0.127 4.213 4.340 -0.000 0.000 0.224 527 L C 2.266 179.147 176.870 0.018 0.000 1.148 527 L CA 1.176 55.977 54.840 -0.065 0.000 0.825 527 L CB -0.894 41.123 42.059 -0.070 0.000 0.937 527 L HN 0.501 nan 8.230 nan 0.000 0.450 528 H N -0.659 118.387 119.070 -0.040 0.000 2.518 528 H HA -0.116 4.440 4.556 -0.001 0.000 0.292 528 H C 1.075 176.377 175.328 -0.043 0.000 1.068 528 H CA -0.247 55.777 56.048 -0.041 0.000 1.275 528 H CB -0.085 29.657 29.762 -0.034 0.000 1.375 528 H HN 0.323 nan 8.280 nan 0.000 0.563 529 N N 1.332 120.074 118.700 0.070 0.000 2.293 529 N HA -0.136 4.604 4.740 -0.000 0.000 0.253 529 N C 0.245 175.753 175.510 -0.004 0.000 1.248 529 N CA 0.413 53.474 53.050 0.017 0.000 0.845 529 N CB 0.512 38.994 38.487 -0.009 0.000 1.073 529 N HN 0.122 nan 8.380 nan 0.000 0.464 530 R N 2.069 122.559 120.500 -0.016 0.000 2.642 530 R HA 0.162 4.502 4.340 -0.000 0.000 0.435 530 R C -0.613 175.667 176.300 -0.033 0.000 1.046 530 R CA -0.158 55.922 56.100 -0.032 0.000 1.103 530 R CB 0.148 30.427 30.300 -0.035 0.000 1.425 530 R HN 0.689 nan 8.270 nan 0.000 0.586 531 Q N 0.056 119.837 119.800 -0.031 0.000 2.331 531 Q HA 0.400 4.740 4.340 -0.000 0.000 0.267 531 Q C 0.633 176.611 176.000 -0.037 0.000 1.006 531 Q CA -0.434 55.352 55.803 -0.029 0.000 0.818 531 Q CB 2.444 31.168 28.738 -0.024 0.000 1.276 531 Q HN -0.077 nan 8.270 nan 0.000 0.450 532 R N 1.306 121.783 120.500 -0.039 0.000 2.152 532 R HA -0.190 4.149 4.340 -0.000 0.000 0.232 532 R C 1.677 177.953 176.300 -0.041 0.000 1.117 532 R CA 1.192 57.260 56.100 -0.052 0.000 0.981 532 R CB 0.170 30.435 30.300 -0.059 0.000 0.870 532 R HN 0.716 nan 8.270 nan 0.000 0.451 533 E N 0.954 121.136 120.200 -0.030 0.000 2.171 533 E HA -0.196 4.153 4.350 -0.000 0.000 0.197 533 E C 0.806 177.393 176.600 -0.022 0.000 0.997 533 E CA 1.177 57.563 56.400 -0.023 0.000 0.810 533 E CB 0.121 29.810 29.700 -0.018 0.000 0.738 533 E HN 0.273 nan 8.360 nan 0.000 0.467 534 N N 0.087 118.771 118.700 -0.026 0.000 2.280 534 N HA 0.071 4.811 4.740 -0.000 0.000 0.192 534 N C -0.601 174.892 175.510 -0.027 0.000 1.109 534 N CA 0.069 53.102 53.050 -0.028 0.000 0.855 534 N CB 0.543 39.012 38.487 -0.029 0.000 0.974 534 N HN 0.123 nan 8.380 nan 0.000 0.482 535 L N 1.138 122.346 121.223 -0.025 0.000 2.313 535 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 535 L C -0.127 176.744 176.870 0.002 0.000 1.013 535 L CA -0.244 54.586 54.840 -0.017 0.000 0.816 535 L CB 1.427 43.461 42.059 -0.042 0.000 1.236 535 L HN 0.028 nan 8.230 nan 0.000 0.419 536 T N 0.272 114.860 114.554 0.056 0.000 2.906 536 T HA 0.913 5.262 4.350 -0.000 0.000 0.295 536 T C -0.264 174.468 174.700 0.053 0.000 1.075 536 T CA -0.263 61.892 62.100 0.091 0.000 1.005 536 T CB 1.826 70.822 68.868 0.213 0.000 1.136 536 T HN 0.726 nan 8.240 nan 0.000 0.498 537 T N -2.032 112.383 114.554 -0.232 0.000 2.864 537 T HA 0.917 5.267 4.350 -0.000 0.000 0.299 537 T C -0.029 173.886 174.700 -1.309 0.000 1.166 537 T CA -0.326 61.367 62.100 -0.677 0.000 1.007 537 T CB 1.643 70.319 68.868 -0.320 0.000 1.219 537 T HN 1.511 nan 8.240 nan 0.000 0.506 538 G N 0.234 107.917 108.800 -1.862 0.000 2.490 538 G HA2 0.638 4.598 3.960 -0.000 0.000 0.308 538 G HA3 0.638 4.598 3.960 -0.000 0.000 0.308 538 G C -1.694 172.726 174.900 -0.800 0.000 1.286 538 G CA -0.586 43.779 45.100 -1.225 0.000 0.825 538 G HN 1.437 nan 8.290 nan 0.000 0.479 539 H N -0.630 118.276 119.070 -0.273 0.000 3.037 539 H HA 0.734 5.289 4.556 -0.000 0.000 0.355 539 H C -2.374 173.053 175.328 0.165 0.000 1.263 539 H CA -0.724 55.314 56.048 -0.016 0.000 1.129 539 H CB 2.514 32.247 29.762 -0.048 0.000 1.861 539 H HN 0.521 nan 8.280 nan 0.000 0.546 540 D N 0.713 121.161 120.400 0.081 0.000 2.476 540 D HA 0.387 5.027 4.640 -0.000 0.000 0.251 540 D C 1.075 177.438 176.300 0.105 0.000 1.291 540 D CA 1.142 55.148 54.000 0.008 0.000 0.939 540 D CB 1.060 41.886 40.800 0.044 0.000 1.221 540 D HN 1.091 nan 8.370 nan 0.000 0.567 541 G N 4.543 113.433 108.800 0.149 0.000 2.629 541 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.313 541 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.313 541 G C 0.528 175.504 174.900 0.128 0.000 1.217 541 G CA 0.516 45.695 45.100 0.131 0.000 0.994 541 G HN 0.571 nan 8.290 nan 0.000 0.549 542 D N 0.691 121.120 120.400 0.048 0.000 2.325 542 D HA 0.301 4.941 4.640 -0.000 0.000 0.225 542 D C 0.611 176.900 176.300 -0.019 0.000 1.096 542 D CA 0.328 54.320 54.000 -0.013 0.000 0.844 542 D CB 0.555 41.324 40.800 -0.052 0.000 0.925 542 D HN 0.273 nan 8.370 nan 0.000 0.513 543 V N 2.154 122.102 119.914 0.057 0.000 2.383 543 V HA 0.172 4.292 4.120 -0.000 0.000 0.275 543 V C 0.106 176.291 176.094 0.152 0.000 1.036 543 V CA -0.892 61.462 62.300 0.090 0.000 0.889 543 V CB 1.649 33.544 31.823 0.120 0.000 0.985 543 V HN -0.008 nan 8.190 nan 0.000 0.459 544 L N 7.429 128.734 121.223 0.137 0.000 2.326 544 L HA 0.567 4.906 4.340 -0.000 0.000 0.278 544 L C -0.431 176.606 176.870 0.278 0.000 1.092 544 L CA -0.009 54.922 54.840 0.153 0.000 0.810 544 L CB 0.798 42.948 42.059 0.153 0.000 1.153 544 L HN 0.782 nan 8.230 nan 0.000 0.439 545 W N 4.986 126.390 121.300 0.174 0.000 2.736 545 W HA 0.754 5.414 4.660 -0.000 0.000 0.335 545 W C -2.055 174.567 176.519 0.171 0.000 1.059 545 W CA -1.167 56.284 57.345 0.176 0.000 1.226 545 W CB 0.972 30.546 29.460 0.190 0.000 1.416 545 W HN 0.321 nan 8.180 nan 0.000 0.505 546 V N 4.017 124.212 119.914 0.468 0.000 2.482 546 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 546 V C -0.249 176.051 176.094 0.343 0.000 1.026 546 V CA -0.786 61.695 62.300 0.303 0.000 0.856 546 V CB 1.510 33.428 31.823 0.158 0.000 1.001 546 V HN 0.667 nan 8.190 nan 0.000 0.424 547 R N 2.531 123.243 120.500 0.353 0.000 2.514 547 R HA 0.740 5.079 4.340 -0.000 0.000 0.301 547 R C -0.947 175.371 176.300 0.029 0.000 0.962 547 R CA -0.262 55.919 56.100 0.134 0.000 0.882 547 R CB 1.860 32.139 30.300 -0.034 0.000 1.143 547 R HN 0.721 nan 8.270 nan 0.000 0.452 548 T N 3.357 117.893 114.554 -0.029 0.000 2.812 548 T HA 0.401 4.750 4.350 -0.000 0.000 0.282 548 T C -1.054 173.600 174.700 -0.076 0.000 0.990 548 T CA -0.503 61.572 62.100 -0.043 0.000 0.960 548 T CB 1.638 70.487 68.868 -0.033 0.000 0.948 548 T HN 0.262 nan 8.240 nan 0.000 0.438 549 V N 3.994 123.863 119.914 -0.075 0.000 2.483 549 V HA 0.736 4.855 4.120 -0.000 0.000 0.297 549 V C 0.326 176.388 176.094 -0.053 0.000 1.027 549 V CA -0.745 61.508 62.300 -0.079 0.000 0.855 549 V CB 1.631 33.394 31.823 -0.100 0.000 0.995 549 V HN 1.122 nan 8.190 nan 0.000 0.424 550 T N 0.836 115.363 114.554 -0.045 0.000 2.742 550 T HA 0.557 4.907 4.350 -0.000 0.000 0.282 550 T C 1.264 175.947 174.700 -0.029 0.000 1.025 550 T CA 0.107 62.188 62.100 -0.032 0.000 1.020 550 T CB 1.652 70.505 68.868 -0.024 0.000 1.317 550 T HN 0.670 nan 8.240 nan 0.000 0.538 551 G N -0.303 108.484 108.800 -0.021 0.000 2.498 551 G HA2 0.130 4.090 3.960 -0.000 0.000 0.219 551 G HA3 0.130 4.090 3.960 -0.000 0.000 0.219 551 G C 1.392 176.281 174.900 -0.020 0.000 1.119 551 G CA 0.714 45.802 45.100 -0.019 0.000 0.766 551 G HN 1.156 nan 8.290 nan 0.000 0.552 552 A N -0.812 121.995 122.820 -0.022 0.000 2.178 552 A HA 0.581 4.901 4.320 -0.000 0.000 0.211 552 A C 1.376 178.938 177.584 -0.036 0.000 1.157 552 A CA 1.452 53.472 52.037 -0.027 0.000 0.780 552 A CB -0.132 18.851 19.000 -0.030 0.000 0.828 552 A HN 1.562 nan 8.150 nan 0.000 0.476 553 G N -1.203 107.574 108.800 -0.039 0.000 2.278 553 G HA2 0.272 4.232 3.960 -0.000 0.000 0.265 553 G HA3 0.272 4.232 3.960 -0.000 0.000 0.265 553 G C -1.079 173.789 174.900 -0.054 0.000 1.329 553 G CA -0.132 44.942 45.100 -0.043 0.000 1.017 553 G HN 0.516 nan 8.290 nan 0.000 0.472 554 E N -0.106 120.060 120.200 -0.056 0.000 2.314 554 E HA 0.680 5.030 4.350 -0.000 0.000 0.272 554 E C -0.855 175.711 176.600 -0.058 0.000 0.884 554 E CA -0.960 55.397 56.400 -0.072 0.000 0.753 554 E CB 1.427 31.070 29.700 -0.094 0.000 1.213 554 E HN 0.488 nan 8.360 nan 0.000 0.432 555 R N 1.909 122.375 120.500 -0.057 0.000 2.750 555 R HA 0.580 4.920 4.340 -0.000 0.000 0.281 555 R C -1.250 175.046 176.300 -0.007 0.000 0.972 555 R CA -0.969 55.114 56.100 -0.029 0.000 0.912 555 R CB 2.079 32.361 30.300 -0.030 0.000 1.187 555 R HN 0.333 nan 8.270 nan 0.000 0.464 556 V N 3.366 123.301 119.914 0.037 0.000 2.525 556 V HA 0.303 4.422 4.120 -0.000 0.000 0.299 556 V C -0.420 175.741 176.094 0.111 0.000 1.034 556 V CA -0.912 61.454 62.300 0.109 0.000 0.863 556 V CB 2.360 34.286 31.823 0.170 0.000 0.999 556 V HN 0.449 nan 8.190 nan 0.000 0.423 557 L N 6.846 128.149 121.223 0.135 0.000 2.255 557 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 557 L C -0.851 176.136 176.870 0.196 0.000 1.046 557 L CA 0.108 55.013 54.840 0.110 0.000 0.816 557 L CB 0.878 42.977 42.059 0.066 0.000 1.197 557 L HN 0.579 nan 8.230 nan 0.000 0.427 558 L N 5.445 126.771 121.223 0.171 0.000 2.317 558 L HA 0.454 4.793 4.340 -0.000 0.000 0.281 558 L C -1.173 175.851 176.870 0.257 0.000 1.024 558 L CA -0.578 54.400 54.840 0.231 0.000 0.810 558 L CB 2.172 44.337 42.059 0.176 0.000 1.240 558 L HN 0.613 nan 8.230 nan 0.000 0.427 559 W N 3.926 125.265 121.300 0.065 0.000 2.756 559 W HA 0.313 4.973 4.660 -0.001 0.000 0.333 559 W C -0.749 175.796 176.519 0.043 0.000 1.025 559 W CA -1.369 55.995 57.345 0.031 0.000 1.246 559 W CB 1.344 30.821 29.460 0.029 0.000 1.358 559 W HN 0.348 nan 8.180 nan 0.000 0.444 560 N N 5.489 124.313 118.700 0.207 0.000 2.439 560 N HA 0.084 4.824 4.740 -0.000 0.000 0.243 560 N C 0.520 175.909 175.510 -0.202 0.000 1.088 560 N CA 0.058 53.116 53.050 0.013 0.000 0.940 560 N CB 0.707 39.242 38.487 0.079 0.000 1.180 560 N HN 0.423 nan 8.380 nan 0.000 0.505 561 L N 1.720 122.719 121.223 -0.372 0.000 2.478 561 L HA 0.221 4.561 4.340 -0.000 0.000 0.223 561 L C 1.469 178.209 176.870 -0.217 0.000 1.140 561 L CA 0.390 54.949 54.840 -0.469 0.000 0.842 561 L CB -1.581 40.155 42.059 -0.540 0.000 0.953 561 L HN 0.495 nan 8.230 nan 0.000 0.452 562 G N -0.510 108.218 108.800 -0.120 0.000 2.653 562 G HA2 0.173 4.133 3.960 -0.000 0.000 0.265 562 G HA3 0.173 4.133 3.960 -0.000 0.000 0.265 562 G C 0.438 175.321 174.900 -0.028 0.000 1.237 562 G CA -0.234 44.830 45.100 -0.060 0.000 0.946 562 G HN 0.260 nan 8.290 nan 0.000 0.522 563 Q N -0.585 119.207 119.800 -0.013 0.000 2.282 563 Q HA 0.168 4.507 4.340 -0.000 0.000 0.206 563 Q C 0.193 176.204 176.000 0.018 0.000 0.878 563 Q CA 0.031 55.837 55.803 0.004 0.000 0.944 563 Q CB 0.603 29.338 28.738 -0.004 0.000 1.100 563 Q HN 0.729 nan 8.270 nan 0.000 0.509 564 D N -1.198 119.213 120.400 0.019 0.000 2.569 564 D HA 0.258 4.897 4.640 -0.000 0.000 0.266 564 D C -0.352 175.973 176.300 0.042 0.000 1.164 564 D CA -0.704 53.312 54.000 0.027 0.000 1.071 564 D CB 0.545 41.356 40.800 0.019 0.000 1.183 564 D HN -0.267 nan 8.370 nan 0.000 0.613 565 T N 0.289 114.870 114.554 0.044 0.000 2.829 565 T HA 0.535 4.885 4.350 -0.000 0.000 0.282 565 T C -0.135 174.594 174.700 0.049 0.000 0.990 565 T CA -0.760 61.374 62.100 0.057 0.000 1.028 565 T CB 0.867 69.768 68.868 0.056 0.000 0.951 565 T HN 0.142 nan 8.240 nan 0.000 0.460 566 R N 1.724 122.259 120.500 0.058 0.000 2.476 566 R HA 0.605 4.944 4.340 -0.000 0.000 0.305 566 R C -0.597 175.736 176.300 0.056 0.000 0.965 566 R CA -0.688 55.442 56.100 0.050 0.000 0.867 566 R CB 1.815 32.145 30.300 0.050 0.000 1.176 566 R HN 0.755 nan 8.270 nan 0.000 0.447 567 A N 2.646 125.491 122.820 0.042 0.000 2.401 567 A HA 0.208 4.527 4.320 -0.000 0.000 0.259 567 A C 1.377 178.980 177.584 0.032 0.000 1.103 567 A CA -0.424 51.636 52.037 0.039 0.000 0.789 567 A CB 0.549 19.564 19.000 0.025 0.000 1.035 567 A HN 0.542 nan 8.150 nan 0.000 0.491 568 V N 2.849 122.785 119.914 0.037 0.000 2.392 568 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 568 V C 2.882 178.972 176.094 -0.007 0.000 1.059 568 V CA 2.596 64.910 62.300 0.023 0.000 1.051 568 V CB -1.207 30.635 31.823 0.032 0.000 0.658 568 V HN 1.010 nan 8.190 nan 0.000 0.455 569 A N -0.430 122.386 122.820 -0.006 0.000 2.019 569 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 569 A C 2.018 179.581 177.584 -0.034 0.000 1.164 569 A CA 1.765 53.788 52.037 -0.023 0.000 0.644 569 A CB -0.356 18.636 19.000 -0.013 0.000 0.805 569 A HN 0.669 nan 8.150 nan 0.000 0.449 570 E N -0.619 119.568 120.200 -0.022 0.000 2.474 570 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 570 E C -0.604 175.978 176.600 -0.031 0.000 1.039 570 E CA -0.376 56.009 56.400 -0.024 0.000 0.881 570 E CB 0.529 30.224 29.700 -0.009 0.000 0.970 570 E HN 0.311 nan 8.360 nan 0.000 0.486 571 V N 2.629 122.520 119.914 -0.038 0.000 2.508 571 V HA 0.021 4.141 4.120 -0.000 0.000 0.281 571 V C 0.335 176.365 176.094 -0.106 0.000 1.041 571 V CA -0.021 62.253 62.300 -0.044 0.000 1.016 571 V CB 0.708 32.517 31.823 -0.024 0.000 0.984 571 V HN 0.088 nan 8.190 nan 0.000 0.478 572 K N 6.267 126.612 120.400 -0.091 0.000 2.316 572 K HA 0.554 4.873 4.320 -0.000 0.000 0.289 572 K C -0.845 175.629 176.600 -0.209 0.000 1.070 572 K CA -0.059 56.149 56.287 -0.132 0.000 0.928 572 K CB 0.552 33.003 32.500 -0.081 0.000 1.039 572 K HN 0.501 nan 8.250 nan 0.000 0.480 573 L N 4.416 125.411 121.223 -0.380 0.000 2.370 573 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 573 L C -1.604 174.924 176.870 -0.570 0.000 1.002 573 L CA -1.899 52.515 54.840 -0.710 0.000 0.818 573 L CB 2.049 43.303 42.059 -1.342 0.000 1.325 573 L HN 0.509 nan 8.230 nan 0.000 0.418 574 P HA 0.111 nan 4.420 nan 0.000 0.255 574 P C -0.851 176.414 177.300 -0.058 0.000 1.357 574 P CA 0.343 63.356 63.100 -0.144 0.000 0.839 574 P CB -0.289 31.457 31.700 0.077 0.000 1.356 575 F N -3.970 115.856 119.950 -0.207 0.000 2.711 575 F HA 0.572 5.099 4.527 -0.001 0.000 0.313 575 F C -0.626 175.074 175.800 -0.168 0.000 1.141 575 F CA -1.379 56.518 58.000 -0.172 0.000 0.941 575 F CB 0.153 39.034 39.000 -0.199 0.000 1.349 575 F HN -0.512 nan 8.300 nan 0.000 0.464 576 T N 2.204 116.813 114.554 0.091 0.000 2.779 576 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 576 T C -0.264 174.497 174.700 0.102 0.000 0.938 576 T CA -0.302 61.802 62.100 0.008 0.000 1.119 576 T CB 1.066 69.949 68.868 0.024 0.000 0.891 576 T HN 0.701 nan 8.240 nan 0.000 0.526 577 V N 6.998 126.888 119.914 -0.039 0.000 2.655 577 V HA 0.197 4.317 4.120 -0.000 0.000 0.300 577 V C -1.921 174.207 176.094 0.056 0.000 1.044 577 V CA -1.737 60.583 62.300 0.033 0.000 1.095 577 V CB 0.647 32.431 31.823 -0.065 0.000 0.952 577 V HN 0.712 nan 8.190 nan 0.000 0.485 578 P HA 0.234 nan 4.420 nan 0.000 0.270 578 P C 0.008 177.322 177.300 0.024 0.000 1.223 578 P CA 0.037 63.160 63.100 0.037 0.000 0.785 578 P CB 0.417 32.135 31.700 0.029 0.000 0.923 579 R N 0.597 121.105 120.500 0.014 0.000 2.254 579 R HA 0.148 4.488 4.340 -0.000 0.000 0.193 579 R C 0.380 176.688 176.300 0.013 0.000 0.929 579 R CA 0.159 56.266 56.100 0.011 0.000 1.038 579 R CB 0.174 30.478 30.300 0.006 0.000 1.009 579 R HN 0.399 nan 8.270 nan 0.000 0.512 580 R N 2.071 122.578 120.500 0.011 0.000 2.202 580 R HA 0.174 4.513 4.340 -0.000 0.000 0.334 580 R C -0.357 175.952 176.300 0.016 0.000 1.036 580 R CA -0.449 55.657 56.100 0.010 0.000 0.878 580 R CB 1.040 31.342 30.300 0.003 0.000 1.067 580 R HN -0.023 nan 8.270 nan 0.000 0.457 581 L N 5.685 126.923 121.223 0.024 0.000 2.584 581 L HA -0.053 4.286 4.340 -0.000 0.000 0.272 581 L C 0.254 177.137 176.870 0.022 0.000 1.195 581 L CA 0.943 55.804 54.840 0.034 0.000 0.920 581 L CB 0.328 42.418 42.059 0.051 0.000 1.173 581 L HN 0.870 nan 8.230 nan 0.000 0.489 582 L N 6.128 127.360 121.223 0.015 0.000 2.388 582 L HA 0.252 4.591 4.340 -0.000 0.000 0.209 582 L C 0.336 177.210 176.870 0.006 0.000 1.061 582 L CA 0.296 55.138 54.840 0.003 0.000 0.834 582 L CB 0.245 42.296 42.059 -0.012 0.000 1.029 582 L HN 0.566 nan 8.230 nan 0.000 0.473 583 L N -0.793 120.437 121.223 0.011 0.000 2.565 583 L HA 0.433 4.772 4.340 -0.000 0.000 0.261 583 L C -1.525 175.366 176.870 0.034 0.000 0.932 583 L CA -0.566 54.284 54.840 0.016 0.000 0.878 583 L CB 2.147 44.194 42.059 -0.021 0.000 1.333 583 L HN -0.075 nan 8.230 nan 0.000 0.409 584 H N 2.361 121.415 119.070 -0.027 0.000 2.489 584 H HA 0.300 4.856 4.556 -0.000 0.000 0.343 584 H C 0.393 175.693 175.328 -0.047 0.000 1.086 584 H CA 0.382 56.414 56.048 -0.027 0.000 1.198 584 H CB 2.216 31.968 29.762 -0.016 0.000 1.490 584 H HN 0.862 nan 8.280 nan 0.000 0.504 585 T N 1.004 115.540 114.554 -0.029 0.000 3.007 585 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 585 T C 0.659 175.401 174.700 0.070 0.000 1.107 585 T CA 0.874 62.969 62.100 -0.008 0.000 1.118 585 T CB 0.227 69.029 68.868 -0.111 0.000 0.889 585 T HN 0.472 nan 8.240 nan 0.000 0.506 586 E N 0.678 121.033 120.200 0.257 0.000 2.558 586 E HA 0.319 4.669 4.350 -0.000 0.000 0.205 586 E C 1.337 177.929 176.600 -0.013 0.000 1.006 586 E CA 0.228 56.651 56.400 0.039 0.000 0.961 586 E CB 0.239 29.874 29.700 -0.108 0.000 1.044 586 E HN 0.632 nan 8.360 nan 0.000 0.465 587 G N 2.564 111.388 108.800 0.039 0.000 2.179 587 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 587 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 587 G C 0.263 175.069 174.900 -0.157 0.000 1.010 587 G CA 0.268 45.350 45.100 -0.031 0.000 0.736 587 G HN 0.192 nan 8.290 nan 0.000 0.513 588 R N -0.260 119.965 120.500 -0.458 0.000 2.641 588 R HA 0.330 4.670 4.340 -0.000 0.000 0.269 588 R C 1.204 177.356 176.300 -0.246 0.000 1.074 588 R CA 0.146 55.968 56.100 -0.464 0.000 1.133 588 R CB 0.627 30.450 30.300 -0.795 0.000 1.029 588 R HN 0.464 nan 8.270 nan 0.000 0.488 589 E N 0.617 120.736 120.200 -0.135 0.000 2.170 589 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 589 E C -0.311 176.273 176.600 -0.026 0.000 0.981 589 E CA 0.719 57.086 56.400 -0.056 0.000 0.830 589 E CB 0.276 29.954 29.700 -0.038 0.000 0.775 589 E HN 0.478 nan 8.360 nan 0.000 0.470 590 D N 0.206 120.586 120.400 -0.034 0.000 2.268 590 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 590 D C -0.066 176.271 176.300 0.063 0.000 1.008 590 D CA -0.417 53.589 54.000 0.010 0.000 0.939 590 D CB 1.407 42.209 40.800 0.004 0.000 1.170 590 D HN -0.070 nan 8.370 nan 0.000 0.468 591 L N 1.508 122.775 121.223 0.073 0.000 2.391 591 L HA 0.184 4.524 4.340 -0.000 0.000 0.249 591 L C -0.026 176.905 176.870 0.102 0.000 1.308 591 L CA 0.360 55.261 54.840 0.102 0.000 1.209 591 L CB -0.623 41.475 42.059 0.064 0.000 1.401 591 L HN 0.094 nan 8.230 nan 0.000 0.416 592 T N 1.691 116.336 114.554 0.152 0.000 2.916 592 T HA 0.530 4.880 4.350 -0.000 0.000 0.298 592 T C -0.297 174.544 174.700 0.234 0.000 1.031 592 T CA -0.430 61.752 62.100 0.138 0.000 0.993 592 T CB 2.103 71.024 68.868 0.089 0.000 1.045 592 T HN 0.131 nan 8.240 nan 0.000 0.454 593 L N 2.931 124.253 121.223 0.164 0.000 2.318 593 L HA 0.555 4.895 4.340 -0.000 0.000 0.277 593 L C 1.171 178.130 176.870 0.147 0.000 1.008 593 L CA -0.878 54.062 54.840 0.166 0.000 0.846 593 L CB 1.109 43.235 42.059 0.110 0.000 1.220 593 L HN 0.794 nan 8.230 nan 0.000 0.423 594 G N 1.982 110.887 108.800 0.175 0.000 2.699 594 G HA2 0.357 4.317 3.960 -0.000 0.000 0.246 594 G HA3 0.357 4.317 3.960 -0.000 0.000 0.246 594 G C 0.342 175.339 174.900 0.161 0.000 1.219 594 G CA -0.228 44.966 45.100 0.158 0.000 0.866 594 G HN 0.767 nan 8.290 nan 0.000 0.572 595 A N -0.675 122.232 122.820 0.144 0.000 2.573 595 A HA 0.479 4.799 4.320 -0.000 0.000 0.250 595 A C 1.730 179.423 177.584 0.182 0.000 1.049 595 A CA 1.383 53.493 52.037 0.122 0.000 0.767 595 A CB -0.741 18.313 19.000 0.090 0.000 0.965 595 A HN 2.643 nan 8.150 nan 0.000 0.514 596 G N 1.989 110.882 108.800 0.155 0.000 2.179 596 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 596 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 596 G C 0.045 175.217 174.900 0.453 0.000 0.977 596 G CA 0.603 45.863 45.100 0.267 0.000 0.641 596 G HN 0.883 nan 8.290 nan 0.000 0.533 597 E N 0.276 120.666 120.200 0.316 0.000 2.318 597 E HA 0.684 5.034 4.350 -0.000 0.000 0.265 597 E C 0.336 177.059 176.600 0.205 0.000 1.069 597 E CA 0.040 56.564 56.400 0.206 0.000 0.893 597 E CB 1.515 31.297 29.700 0.138 0.000 1.076 597 E HN 0.752 nan 8.360 nan 0.000 0.414 598 A N 1.444 124.233 122.820 -0.053 0.000 2.469 598 A HA 0.700 5.020 4.320 -0.000 0.000 0.299 598 A C -1.387 176.007 177.584 -0.317 0.000 1.098 598 A CA -0.648 51.322 52.037 -0.112 0.000 0.737 598 A CB 2.016 20.869 19.000 -0.244 0.000 1.312 598 A HN 0.355 nan 8.150 nan 0.000 0.414 599 V N 1.384 121.180 119.914 -0.197 0.000 2.888 599 V HA 0.681 4.801 4.120 -0.000 0.000 0.309 599 V C -1.760 174.297 176.094 -0.061 0.000 1.114 599 V CA -0.638 61.552 62.300 -0.183 0.000 0.940 599 V CB 1.870 33.597 31.823 -0.160 0.000 1.021 599 V HN 1.048 nan 8.190 nan 0.000 0.426 600 L N 7.325 128.521 121.223 -0.046 0.000 2.287 600 L HA 0.831 5.171 4.340 -0.000 0.000 0.287 600 L C -0.460 176.412 176.870 0.002 0.000 1.022 600 L CA -0.015 54.816 54.840 -0.016 0.000 0.814 600 L CB 1.640 43.679 42.059 -0.033 0.000 1.217 600 L HN 0.669 nan 8.230 nan 0.000 0.420 601 V N 2.037 121.962 119.914 0.018 0.000 2.960 601 V HA 1.116 5.236 4.120 -0.000 0.000 0.315 601 V C -0.041 176.060 176.094 0.011 0.000 1.087 601 V CA 0.069 62.381 62.300 0.020 0.000 0.982 601 V CB 1.225 33.068 31.823 0.033 0.000 1.039 601 V HN 0.914 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.802 108.800 0.004 0.000 5.446 602 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 602 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 602 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925