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 2d3a_1_F DATA FIRST_RESID 3 DATA SEQUENCE CLTDLVNLNL SDTTEKIIAE YIWIGGSGMD LRSKARTLPG PVTDPSKLPK DATA SEQUENCE WNYDGSSTGQ APGEDSEVIL YPQAIFKDPF RRGNNILVMC DCYTPAGEPI DATA SEQUENCE PTNKRYSAAK IFSSPEVAAE EPWYGIEQEY TLLQKDTNWP LGWPIGGFPG DATA SEQUENCE PQGPYYCGIG AEKSFGRDIV DAHYKACLYA GINISGINGE VMPGQWEFQV DATA SEQUENCE GPSVGISSGD QVWVARYILE RITEIAGVVV TFDPKPIPGD WNGAGAHTNY DATA SEQUENCE STESMRKEGG YEVIKAAIEK LKLRHKEHIA AYGEGNERRL TGRHETADIN DATA SEQUENCE TFSWGVANRG ASVRVGRETE QNGKGYFEDR RPASNMDPYV VTSMIAETTI DATA SEQUENCE VWK 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 3 C HA 0.000 nan 4.460 nan 0.000 0.325 3 C C 0.000 174.990 174.990 0.000 0.000 1.270 3 C CA 0.000 59.018 59.018 -0.000 0.000 1.963 3 C CB 0.000 27.739 27.740 -0.002 0.000 2.134 4 L N 2.032 123.255 121.223 -0.001 0.000 2.131 4 L HA 0.044 4.384 4.340 -0.000 0.000 0.206 4 L C 2.827 179.698 176.870 0.001 0.000 1.087 4 L CA 2.940 57.779 54.840 -0.001 0.000 0.767 4 L CB -0.532 41.525 42.059 -0.004 0.000 0.917 4 L HN 0.941 nan 8.230 nan 0.000 0.441 5 T N -4.988 109.566 114.554 -0.000 0.000 2.995 5 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 5 T C 1.600 176.302 174.700 0.003 0.000 1.091 5 T CA 0.982 63.083 62.100 0.002 0.000 1.128 5 T CB -0.422 68.445 68.868 -0.001 0.000 0.891 5 T HN 0.209 nan 8.240 nan 0.000 0.492 6 D N 1.399 121.801 120.400 0.003 0.000 2.144 6 D HA 0.007 4.647 4.640 -0.000 0.000 0.199 6 D C 1.977 178.281 176.300 0.007 0.000 0.984 6 D CA 0.894 54.896 54.000 0.004 0.000 0.834 6 D CB -0.123 40.678 40.800 0.003 0.000 0.955 6 D HN 0.427 nan 8.370 nan 0.000 0.465 7 L N -0.179 121.049 121.223 0.008 0.000 2.168 7 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 7 L C 2.491 179.371 176.870 0.016 0.000 1.078 7 L CA 0.211 55.058 54.840 0.012 0.000 0.780 7 L CB -0.189 41.877 42.059 0.010 0.000 0.939 7 L HN -0.136 nan 8.230 nan 0.000 0.451 8 V N 0.437 120.361 119.914 0.016 0.000 2.469 8 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 8 V C 1.572 177.682 176.094 0.027 0.000 1.064 8 V CA 1.607 63.921 62.300 0.023 0.000 1.066 8 V CB -0.561 31.274 31.823 0.019 0.000 0.667 8 V HN 0.506 nan 8.190 nan 0.000 0.461 9 N N -0.280 118.431 118.700 0.018 0.000 2.270 9 N HA 0.195 4.935 4.740 -0.000 0.000 0.198 9 N C 0.348 175.867 175.510 0.014 0.000 1.117 9 N CA 0.013 53.071 53.050 0.014 0.000 0.845 9 N CB 0.054 38.544 38.487 0.004 0.000 0.980 9 N HN 0.385 nan 8.380 nan 0.000 0.486 10 L N 1.464 122.697 121.223 0.017 0.000 2.559 10 L HA -0.059 4.281 4.340 -0.000 0.000 0.282 10 L C 0.757 177.639 176.870 0.020 0.000 1.232 10 L CA 0.108 54.958 54.840 0.017 0.000 0.885 10 L CB 0.192 42.262 42.059 0.018 0.000 1.131 10 L HN 0.015 nan 8.230 nan 0.000 0.498 11 N N 3.542 122.252 118.700 0.017 0.000 2.415 11 N HA 0.150 4.890 4.740 -0.000 0.000 0.246 11 N C 0.647 176.170 175.510 0.020 0.000 1.078 11 N CA -0.022 53.040 53.050 0.020 0.000 0.942 11 N CB 0.845 39.342 38.487 0.017 0.000 1.140 11 N HN 0.527 nan 8.380 nan 0.000 0.501 12 L N 1.695 122.933 121.223 0.025 0.000 2.240 12 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 12 L C 1.836 178.717 176.870 0.019 0.000 1.106 12 L CA 0.437 55.290 54.840 0.023 0.000 0.793 12 L CB -0.215 41.860 42.059 0.027 0.000 0.927 12 L HN 0.487 nan 8.230 nan 0.000 0.446 13 S N 0.104 115.816 115.700 0.020 0.000 2.407 13 S HA -0.210 4.260 4.470 -0.000 0.000 0.235 13 S C 1.246 175.853 174.600 0.012 0.000 1.036 13 S CA 1.518 59.727 58.200 0.016 0.000 1.013 13 S CB -0.356 62.854 63.200 0.017 0.000 0.820 13 S HN 0.491 nan 8.310 nan 0.000 0.476 14 D N 0.524 120.931 120.400 0.012 0.000 2.371 14 D HA 0.029 4.669 4.640 -0.000 0.000 0.221 14 D C 1.332 177.637 176.300 0.008 0.000 0.986 14 D CA 0.935 54.940 54.000 0.009 0.000 0.899 14 D CB -0.099 40.706 40.800 0.009 0.000 0.902 14 D HN 0.455 nan 8.370 nan 0.000 0.530 15 T N -1.698 112.862 114.554 0.009 0.000 3.105 15 T HA 0.090 4.440 4.350 -0.000 0.000 0.257 15 T C 0.870 175.575 174.700 0.008 0.000 0.949 15 T CA 0.194 62.299 62.100 0.008 0.000 0.959 15 T CB 1.080 69.954 68.868 0.010 0.000 1.205 15 T HN 0.216 nan 8.240 nan 0.000 0.496 16 T N -0.429 114.131 114.554 0.009 0.000 2.812 16 T HA 0.511 4.861 4.350 -0.000 0.000 0.294 16 T C -0.080 174.625 174.700 0.007 0.000 1.159 16 T CA -0.756 61.349 62.100 0.007 0.000 1.008 16 T CB 2.339 71.211 68.868 0.007 0.000 1.289 16 T HN -0.091 nan 8.240 nan 0.000 0.514 17 E N -0.102 120.100 120.200 0.004 0.000 2.442 17 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 17 E C 0.227 176.830 176.600 0.005 0.000 1.030 17 E CA 0.064 56.466 56.400 0.003 0.000 0.869 17 E CB 0.214 29.914 29.700 -0.001 0.000 0.857 17 E HN 0.426 nan 8.360 nan 0.000 0.505 18 K N 0.881 121.285 120.400 0.006 0.000 2.440 18 K HA 0.092 4.412 4.320 -0.000 0.000 0.270 18 K C -0.389 176.220 176.600 0.015 0.000 0.980 18 K CA 0.318 56.609 56.287 0.007 0.000 0.953 18 K CB 0.520 33.024 32.500 0.007 0.000 0.925 18 K HN -0.129 nan 8.250 nan 0.000 0.497 19 I N 2.183 122.763 120.570 0.016 0.000 2.730 19 I HA 0.348 4.518 4.170 -0.000 0.000 0.298 19 I C -0.736 175.403 176.117 0.038 0.000 1.089 19 I CA -0.561 60.756 61.300 0.028 0.000 1.041 19 I CB 1.919 39.932 38.000 0.021 0.000 1.235 19 I HN 0.426 nan 8.210 nan 0.000 0.423 20 I N 4.592 125.198 120.570 0.060 0.000 2.377 20 I HA 0.691 4.861 4.170 -0.000 0.000 0.293 20 I C -0.231 175.952 176.117 0.110 0.000 0.987 20 I CA -0.598 60.753 61.300 0.085 0.000 1.185 20 I CB 1.614 39.673 38.000 0.098 0.000 1.341 20 I HN 0.606 nan 8.210 nan 0.000 0.455 21 A N 4.851 127.757 122.820 0.142 0.000 2.330 21 A HA 0.597 4.917 4.320 -0.000 0.000 0.313 21 A C -0.665 177.108 177.584 0.315 0.000 1.124 21 A CA -0.504 51.644 52.037 0.185 0.000 0.774 21 A CB 1.148 20.256 19.000 0.180 0.000 1.198 21 A HN 0.685 nan 8.150 nan 0.000 0.465 22 E N 1.865 122.220 120.200 0.258 0.000 2.046 22 E HA 0.450 4.800 4.350 -0.000 0.000 0.279 22 E C -1.674 175.105 176.600 0.299 0.000 0.989 22 E CA -0.148 56.435 56.400 0.305 0.000 0.798 22 E CB 0.175 30.003 29.700 0.213 0.000 1.086 22 E HN 0.482 nan 8.360 nan 0.000 0.399 23 Y N 4.519 124.996 120.300 0.294 0.000 2.436 23 Y HA 0.269 4.819 4.550 -0.000 0.000 0.343 23 Y C 0.188 176.257 175.900 0.281 0.000 1.008 23 Y CA -0.338 57.962 58.100 0.334 0.000 1.241 23 Y CB 0.437 39.221 38.460 0.539 0.000 1.153 23 Y HN 0.444 nan 8.280 nan 0.000 0.521 24 I N 4.529 125.228 120.570 0.214 0.000 2.392 24 I HA 0.372 4.542 4.170 -0.000 0.000 0.295 24 I C -0.578 175.685 176.117 0.242 0.000 0.985 24 I CA -0.707 60.602 61.300 0.014 0.000 1.221 24 I CB 1.056 38.873 38.000 -0.304 0.000 1.366 24 I HN 0.731 nan 8.210 nan 0.000 0.467 25 W N 5.656 126.879 121.300 -0.129 0.000 3.018 25 W HA 0.775 5.435 4.660 -0.000 0.000 0.352 25 W C -2.158 174.218 176.519 -0.239 0.000 1.230 25 W CA -1.009 56.236 57.345 -0.166 0.000 1.162 25 W CB 0.502 29.866 29.460 -0.160 0.000 1.483 25 W HN 0.076 nan 8.180 nan 0.000 0.584 26 I N 2.772 123.325 120.570 -0.029 0.000 2.354 26 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 26 I C 0.933 177.037 176.117 -0.022 0.000 0.989 26 I CA -0.645 60.507 61.300 -0.247 0.000 1.188 26 I CB 1.088 38.809 38.000 -0.465 0.000 1.342 26 I HN 0.737 nan 8.210 nan 0.000 0.457 27 G N 3.199 111.933 108.800 -0.109 0.000 2.535 27 G HA2 0.307 4.267 3.960 -0.000 0.000 0.282 27 G HA3 0.307 4.267 3.960 -0.000 0.000 0.282 27 G C 1.084 176.010 174.900 0.043 0.000 1.350 27 G CA -0.021 45.087 45.100 0.014 0.000 1.039 27 G HN 0.796 nan 8.290 nan 0.000 0.509 28 G N -0.594 108.248 108.800 0.069 0.000 2.485 28 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.221 28 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.221 28 G C 2.014 176.935 174.900 0.034 0.000 1.115 28 G CA 1.939 47.072 45.100 0.054 0.000 0.751 28 G HN 1.055 nan 8.290 nan 0.000 0.567 29 S N -0.500 115.216 115.700 0.026 0.000 2.527 29 S HA 0.319 4.789 4.470 -0.000 0.000 0.222 29 S C 2.084 176.709 174.600 0.042 0.000 0.985 29 S CA 0.976 59.195 58.200 0.032 0.000 0.921 29 S CB -0.207 63.013 63.200 0.033 0.000 0.772 29 S HN 1.581 nan 8.310 nan 0.000 0.529 30 G N 0.801 109.619 108.800 0.029 0.000 2.212 30 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.266 30 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.266 30 G C 0.689 175.646 174.900 0.094 0.000 0.978 30 G CA 0.728 45.854 45.100 0.043 0.000 0.632 30 G HN 0.493 nan 8.290 nan 0.000 0.537 31 M N 1.297 120.953 119.600 0.094 0.000 2.306 31 M HA 0.206 4.685 4.480 -0.000 0.000 0.292 31 M C -0.065 176.309 176.300 0.122 0.000 1.018 31 M CA 0.402 55.807 55.300 0.176 0.000 1.007 31 M CB 0.366 33.054 32.600 0.147 0.000 1.510 31 M HN 0.460 nan 8.290 nan 0.000 0.537 32 D N 1.533 121.942 120.400 0.013 0.000 2.280 32 D HA 0.332 4.972 4.640 -0.000 0.000 0.236 32 D C -0.438 175.785 176.300 -0.128 0.000 1.082 32 D CA -0.262 53.722 54.000 -0.027 0.000 0.834 32 D CB 1.675 42.449 40.800 -0.043 0.000 1.100 32 D HN 0.130 nan 8.370 nan 0.000 0.486 33 L N 2.119 123.291 121.223 -0.086 0.000 2.349 33 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 33 L C 0.871 177.560 176.870 -0.302 0.000 1.115 33 L CA -0.397 54.350 54.840 -0.155 0.000 0.820 33 L CB 0.644 42.750 42.059 0.078 0.000 1.135 33 L HN 0.176 nan 8.230 nan 0.000 0.445 34 R N 1.795 121.909 120.500 -0.643 0.000 2.837 34 R HA 0.760 5.099 4.340 -0.000 0.000 0.271 34 R C -0.986 174.704 176.300 -1.016 0.000 0.993 34 R CA -0.738 54.782 56.100 -0.968 0.000 0.931 34 R CB 2.156 31.431 30.300 -1.709 0.000 1.206 34 R HN 0.746 nan 8.270 nan 0.000 0.474 35 S N -0.105 115.168 115.700 -0.713 0.000 2.567 35 S HA 0.685 5.155 4.470 -0.000 0.000 0.270 35 S C -1.393 173.203 174.600 -0.007 0.000 1.152 35 S CA -0.995 57.034 58.200 -0.284 0.000 0.835 35 S CB 2.525 65.725 63.200 -0.001 0.000 1.115 35 S HN 0.670 nan 8.310 nan 0.000 0.459 36 K N 0.014 120.571 120.400 0.262 0.000 2.579 36 K HA 0.860 5.180 4.320 -0.000 0.000 0.284 36 K C -1.343 175.520 176.600 0.438 0.000 0.990 36 K CA -1.153 55.298 56.287 0.273 0.000 0.880 36 K CB 1.525 34.140 32.500 0.191 0.000 1.488 36 K HN 1.119 nan 8.250 nan 0.000 0.425 37 A N 1.308 124.373 122.820 0.409 0.000 2.365 37 A HA 0.786 5.106 4.320 -0.000 0.000 0.318 37 A C -1.046 176.759 177.584 0.369 0.000 1.091 37 A CA -0.981 51.294 52.037 0.396 0.000 0.763 37 A CB 1.199 20.352 19.000 0.254 0.000 1.248 37 A HN 0.854 nan 8.150 nan 0.000 0.442 38 R N 0.389 120.997 120.500 0.180 0.000 2.795 38 R HA 0.721 5.061 4.340 -0.000 0.000 0.275 38 R C -1.274 175.003 176.300 -0.039 0.000 0.981 38 R CA -0.492 55.567 56.100 -0.067 0.000 0.917 38 R CB 1.258 31.161 30.300 -0.661 0.000 1.202 38 R HN 0.437 nan 8.270 nan 0.000 0.469 39 T N 3.350 117.874 114.554 -0.050 0.000 2.832 39 T HA 0.341 4.691 4.350 -0.000 0.000 0.296 39 T C 0.082 174.746 174.700 -0.061 0.000 0.968 39 T CA -0.374 61.709 62.100 -0.028 0.000 1.107 39 T CB 0.443 69.304 68.868 -0.012 0.000 0.916 39 T HN 0.275 nan 8.240 nan 0.000 0.517 40 L N 4.623 125.827 121.223 -0.032 0.000 2.342 40 L HA 0.360 4.700 4.340 -0.000 0.000 0.271 40 L C -1.628 175.228 176.870 -0.023 0.000 1.008 40 L CA -2.696 52.121 54.840 -0.038 0.000 0.818 40 L CB 2.223 44.270 42.059 -0.021 0.000 1.296 40 L HN 0.341 nan 8.230 nan 0.000 0.427 41 P HA -0.050 nan 4.420 nan 0.000 0.218 41 P C 0.341 177.634 177.300 -0.012 0.000 1.149 41 P CA 0.624 63.712 63.100 -0.020 0.000 0.817 41 P CB 0.341 32.027 31.700 -0.023 0.000 0.785 42 G N -2.523 106.269 108.800 -0.012 0.000 2.606 42 G HA2 0.461 4.421 3.960 -0.000 0.000 0.300 42 G HA3 0.461 4.421 3.960 -0.000 0.000 0.300 42 G C -3.257 171.638 174.900 -0.008 0.000 1.360 42 G CA -1.068 44.027 45.100 -0.008 0.000 0.783 42 G HN -0.331 nan 8.290 nan 0.000 0.484 43 P HA 0.379 nan 4.420 nan 0.000 0.266 43 P C -0.638 176.651 177.300 -0.018 0.000 1.193 43 P CA -0.113 62.980 63.100 -0.010 0.000 0.770 43 P CB 1.091 32.784 31.700 -0.012 0.000 0.836 44 V N 2.086 121.986 119.914 -0.023 0.000 2.733 44 V HA 0.270 4.390 4.120 -0.000 0.000 0.306 44 V C 0.572 176.640 176.094 -0.044 0.000 1.084 44 V CA -0.338 61.943 62.300 -0.031 0.000 0.905 44 V CB 2.087 33.892 31.823 -0.029 0.000 1.010 44 V HN 0.628 nan 8.190 nan 0.000 0.424 45 T N -0.522 114.002 114.554 -0.050 0.000 3.003 45 T HA 0.175 4.525 4.350 -0.000 0.000 0.261 45 T C 0.027 174.682 174.700 -0.075 0.000 1.003 45 T CA -0.003 62.057 62.100 -0.066 0.000 0.917 45 T CB 0.236 69.067 68.868 -0.062 0.000 1.084 45 T HN 0.641 nan 8.240 nan 0.000 0.522 46 D N 1.609 121.972 120.400 -0.062 0.000 2.408 46 D HA 0.394 5.033 4.640 -0.000 0.000 0.243 46 D C -1.903 174.361 176.300 -0.060 0.000 1.075 46 D CA -2.508 51.455 54.000 -0.062 0.000 0.832 46 D CB 2.118 42.889 40.800 -0.048 0.000 1.162 46 D HN -0.254 nan 8.370 nan 0.000 0.515 47 P HA -0.229 nan 4.420 nan 0.000 0.217 47 P C 1.050 178.326 177.300 -0.039 0.000 1.158 47 P CA 1.511 64.577 63.100 -0.057 0.000 0.887 47 P CB -0.005 31.666 31.700 -0.049 0.000 0.792 48 S N -1.581 114.096 115.700 -0.039 0.000 2.555 48 S HA -0.003 4.467 4.470 -0.000 0.000 0.230 48 S C 1.399 175.974 174.600 -0.042 0.000 0.978 48 S CA 0.625 58.800 58.200 -0.042 0.000 0.934 48 S CB -0.703 62.472 63.200 -0.041 0.000 0.766 48 S HN 0.247 nan 8.310 nan 0.000 0.533 49 K N 0.465 120.843 120.400 -0.037 0.000 2.374 49 K HA 0.343 4.662 4.320 -0.000 0.000 0.196 49 K C -0.226 176.359 176.600 -0.025 0.000 1.023 49 K CA -0.074 56.193 56.287 -0.033 0.000 1.103 49 K CB 0.103 32.583 32.500 -0.033 0.000 0.848 49 K HN 0.371 nan 8.250 nan 0.000 0.528 50 L N 3.283 124.495 121.223 -0.018 0.000 2.312 50 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 50 L C -1.997 174.895 176.870 0.037 0.000 1.070 50 L CA -2.248 52.599 54.840 0.013 0.000 0.805 50 L CB 0.512 42.577 42.059 0.009 0.000 1.174 50 L HN -0.067 nan 8.230 nan 0.000 0.434 51 P HA 0.094 nan 4.420 nan 0.000 0.269 51 P C -0.818 176.557 177.300 0.126 0.000 1.209 51 P CA -0.274 62.843 63.100 0.029 0.000 0.776 51 P CB 0.688 32.364 31.700 -0.041 0.000 0.876 52 K N 0.665 121.120 120.400 0.092 0.000 2.132 52 K HA 0.349 4.669 4.320 -0.000 0.000 0.240 52 K C -0.292 176.461 176.600 0.256 0.000 1.036 52 K CA 0.184 56.587 56.287 0.194 0.000 0.888 52 K CB 0.321 32.874 32.500 0.089 0.000 1.071 52 K HN 0.474 nan 8.250 nan 0.000 0.502 53 W N 0.257 121.589 121.300 0.053 0.000 2.959 53 W HA 0.269 4.929 4.660 -0.000 0.000 0.358 53 W C -1.586 174.896 176.519 -0.061 0.000 1.228 53 W CA -0.694 56.601 57.345 -0.083 0.000 1.183 53 W CB 0.824 30.083 29.460 -0.335 0.000 1.467 53 W HN 0.789 nan 8.180 nan 0.000 0.578 54 N N 0.838 119.434 118.700 -0.174 0.000 2.697 54 N HA 0.625 5.365 4.740 -0.000 0.000 0.272 54 N C -1.549 173.620 175.510 -0.568 0.000 1.381 54 N CA -0.399 52.449 53.050 -0.337 0.000 0.797 54 N CB 2.977 41.325 38.487 -0.231 0.000 1.523 54 N HN 0.447 nan 8.380 nan 0.000 0.518 55 Y N -2.740 117.219 120.300 -0.568 0.000 2.689 55 Y HA 0.450 5.000 4.550 -0.000 0.000 0.333 55 Y C -1.349 174.379 175.900 -0.287 0.000 1.190 55 Y CA -1.204 56.582 58.100 -0.524 0.000 1.063 55 Y CB 0.549 38.572 38.460 -0.728 0.000 1.294 55 Y HN 0.392 nan 8.280 nan 0.000 0.466 56 D N 0.875 121.303 120.400 0.047 0.000 2.383 56 D HA 0.204 4.844 4.640 -0.000 0.000 0.245 56 D C 1.155 177.533 176.300 0.131 0.000 1.263 56 D CA 0.682 54.692 54.000 0.017 0.000 0.936 56 D CB 0.937 41.767 40.800 0.049 0.000 1.053 56 D HN 0.913 nan 8.370 nan 0.000 0.507 57 G N 2.224 110.948 108.800 -0.127 0.000 2.448 57 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 57 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 57 G C 1.476 176.410 174.900 0.058 0.000 1.127 57 G CA 0.916 46.001 45.100 -0.027 0.000 0.766 57 G HN 0.543 nan 8.290 nan 0.000 0.552 58 S N -0.082 115.627 115.700 0.015 0.000 2.474 58 S HA 0.041 4.511 4.470 -0.000 0.000 0.235 58 S C 2.039 176.670 174.600 0.051 0.000 0.997 58 S CA 1.409 59.622 58.200 0.022 0.000 0.949 58 S CB -0.085 63.115 63.200 -0.001 0.000 0.766 58 S HN 0.115 nan 8.310 nan 0.000 0.517 59 S N 1.062 116.814 115.700 0.087 0.000 2.575 59 S HA 0.138 4.607 4.470 -0.000 0.000 0.215 59 S C 1.261 175.925 174.600 0.107 0.000 0.966 59 S CA 0.594 58.846 58.200 0.087 0.000 0.911 59 S CB 0.316 63.569 63.200 0.088 0.000 0.780 59 S HN 0.908 nan 8.310 nan 0.000 0.514 60 T N -2.477 112.167 114.554 0.151 0.000 3.170 60 T HA 0.447 4.797 4.350 -0.000 0.000 0.288 60 T C 1.064 175.835 174.700 0.119 0.000 0.992 60 T CA 0.365 62.559 62.100 0.156 0.000 0.909 60 T CB 0.423 69.464 68.868 0.289 0.000 1.133 60 T HN 0.333 nan 8.240 nan 0.000 0.530 61 G N 1.694 110.545 108.800 0.085 0.000 2.246 61 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.273 61 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.273 61 G C 0.249 175.181 174.900 0.054 0.000 1.055 61 G CA 0.498 45.631 45.100 0.055 0.000 0.851 61 G HN 0.604 nan 8.290 nan 0.000 0.500 62 Q N -1.450 118.387 119.800 0.063 0.000 2.113 62 Q HA 0.601 4.940 4.340 -0.000 0.000 0.225 62 Q C 0.580 176.570 176.000 -0.018 0.000 0.786 62 Q CA 0.625 56.452 55.803 0.039 0.000 0.989 62 Q CB 1.406 30.205 28.738 0.101 0.000 1.174 62 Q HN 1.276 nan 8.270 nan 0.000 0.470 63 A N 1.380 124.187 122.820 -0.021 0.000 2.599 63 A HA 0.624 4.944 4.320 -0.000 0.000 0.294 63 A C -2.928 174.636 177.584 -0.033 0.000 1.055 63 A CA -1.138 50.868 52.037 -0.051 0.000 0.683 63 A CB 1.093 20.032 19.000 -0.102 0.000 1.278 63 A HN -0.137 nan 8.150 nan 0.000 0.412 64 P HA 0.313 nan 4.420 nan 0.000 0.278 64 P C 1.019 178.301 177.300 -0.029 0.000 1.258 64 P CA 0.379 63.464 63.100 -0.025 0.000 0.811 64 P CB 0.984 32.669 31.700 -0.025 0.000 1.063 65 G N 1.340 110.128 108.800 -0.020 0.000 2.422 65 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 65 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 65 G C 0.937 175.823 174.900 -0.025 0.000 1.146 65 G CA 0.650 45.738 45.100 -0.019 0.000 0.769 65 G HN 0.511 nan 8.290 nan 0.000 0.547 66 E N -0.092 120.094 120.200 -0.024 0.000 2.358 66 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 66 E C 0.381 176.961 176.600 -0.032 0.000 1.010 66 E CA 0.793 57.178 56.400 -0.024 0.000 0.856 66 E CB 0.239 29.927 29.700 -0.020 0.000 0.795 66 E HN 0.363 nan 8.360 nan 0.000 0.504 67 D N -0.670 119.706 120.400 -0.040 0.000 2.656 67 D HA 0.116 4.756 4.640 -0.000 0.000 0.303 67 D C 0.213 176.469 176.300 -0.073 0.000 1.199 67 D CA -0.035 53.934 54.000 -0.052 0.000 0.797 67 D CB 0.106 40.878 40.800 -0.046 0.000 1.170 67 D HN -0.034 nan 8.370 nan 0.000 0.509 68 S N 0.226 115.878 115.700 -0.079 0.000 2.486 68 S HA 0.095 4.565 4.470 -0.000 0.000 0.220 68 S C 0.652 175.151 174.600 -0.168 0.000 1.011 68 S CA -0.152 57.989 58.200 -0.099 0.000 0.921 68 S CB -0.077 63.081 63.200 -0.071 0.000 0.785 68 S HN 0.287 nan 8.310 nan 0.000 0.517 69 E N 1.479 121.576 120.200 -0.172 0.000 2.344 69 E HA 0.426 4.776 4.350 -0.000 0.000 0.270 69 E C -1.087 175.318 176.600 -0.326 0.000 1.021 69 E CA -0.306 55.946 56.400 -0.246 0.000 0.887 69 E CB 1.354 30.953 29.700 -0.169 0.000 0.997 69 E HN 0.116 nan 8.360 nan 0.000 0.429 70 V N 4.184 123.763 119.914 -0.559 0.000 2.823 70 V HA 0.372 4.492 4.120 -0.000 0.000 0.312 70 V C -0.255 175.520 176.094 -0.531 0.000 1.072 70 V CA -0.939 60.995 62.300 -0.610 0.000 0.937 70 V CB 1.935 33.206 31.823 -0.920 0.000 1.013 70 V HN 0.537 nan 8.190 nan 0.000 0.430 71 I N 3.981 124.394 120.570 -0.261 0.000 2.441 71 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 71 I C -0.451 175.703 176.117 0.062 0.000 0.994 71 I CA -0.527 60.746 61.300 -0.045 0.000 1.144 71 I CB 1.669 39.738 38.000 0.115 0.000 1.314 71 I HN 0.379 nan 8.210 nan 0.000 0.445 72 L N 6.085 127.423 121.223 0.191 0.000 2.287 72 L HA 0.360 4.700 4.340 -0.000 0.000 0.287 72 L C -1.087 176.127 176.870 0.573 0.000 1.022 72 L CA -0.697 54.330 54.840 0.311 0.000 0.814 72 L CB 0.896 43.128 42.059 0.288 0.000 1.217 72 L HN 0.330 nan 8.230 nan 0.000 0.420 73 Y N 3.757 124.221 120.300 0.273 0.000 2.369 73 Y HA 0.358 4.907 4.550 -0.000 0.000 0.337 73 Y C -2.076 173.936 175.900 0.186 0.000 0.961 73 Y CA -3.776 54.449 58.100 0.208 0.000 1.186 73 Y CB 0.782 39.358 38.460 0.193 0.000 1.139 73 Y HN 0.366 nan 8.280 nan 0.000 0.494 74 P HA 0.024 nan 4.420 nan 0.000 0.263 74 P C 0.204 177.576 177.300 0.119 0.000 1.195 74 P CA 0.369 63.541 63.100 0.120 0.000 0.762 74 P CB 0.912 32.627 31.700 0.025 0.000 0.799 75 Q N 1.544 121.409 119.800 0.107 0.000 2.404 75 Q HA 0.357 4.697 4.340 -0.000 0.000 0.262 75 Q C 0.345 176.370 176.000 0.041 0.000 0.846 75 Q CA 0.482 56.346 55.803 0.103 0.000 0.978 75 Q CB 0.831 29.662 28.738 0.154 0.000 1.156 75 Q HN 0.503 nan 8.270 nan 0.000 0.548 76 A N 0.717 123.550 122.820 0.022 0.000 2.515 76 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 76 A C -1.196 176.270 177.584 -0.198 0.000 1.059 76 A CA -0.542 51.429 52.037 -0.110 0.000 0.698 76 A CB 1.348 20.319 19.000 -0.047 0.000 1.289 76 A HN 0.121 nan 8.150 nan 0.000 0.404 77 I N 1.322 121.640 120.570 -0.419 0.000 2.433 77 I HA 0.598 4.767 4.170 -0.000 0.000 0.292 77 I C -1.328 174.430 176.117 -0.598 0.000 1.001 77 I CA -0.332 60.772 61.300 -0.326 0.000 1.119 77 I CB 1.633 39.506 38.000 -0.210 0.000 1.289 77 I HN 0.608 nan 8.210 nan 0.000 0.438 78 F N 3.531 123.461 119.950 -0.033 0.000 2.613 78 F HA 0.467 4.994 4.527 -0.000 0.000 0.314 78 F C -0.064 175.720 175.800 -0.027 0.000 1.075 78 F CA -1.050 56.930 58.000 -0.034 0.000 0.945 78 F CB 1.369 40.360 39.000 -0.015 0.000 1.310 78 F HN 0.180 nan 8.300 nan 0.000 0.467 79 K N 0.722 121.206 120.400 0.140 0.000 2.326 79 K HA 0.123 4.443 4.320 -0.000 0.000 0.275 79 K C -0.753 175.971 176.600 0.207 0.000 1.018 79 K CA -0.419 55.918 56.287 0.083 0.000 0.962 79 K CB 0.398 32.800 32.500 -0.163 0.000 0.953 79 K HN 0.420 nan 8.250 nan 0.000 0.475 80 D N 3.866 124.397 120.400 0.219 0.000 2.339 80 D HA 0.072 4.712 4.640 -0.000 0.000 0.241 80 D C -1.718 174.643 176.300 0.101 0.000 1.183 80 D CA -2.312 51.800 54.000 0.187 0.000 0.859 80 D CB 1.181 42.102 40.800 0.203 0.000 1.067 80 D HN 0.221 nan 8.370 nan 0.000 0.484 81 P HA 0.009 nan 4.420 nan 0.000 0.236 81 P C 1.005 177.937 177.300 -0.613 0.000 1.177 81 P CA 0.438 63.217 63.100 -0.535 0.000 0.773 81 P CB 0.095 31.403 31.700 -0.654 0.000 0.878 82 F N 0.611 120.550 119.950 -0.019 0.000 2.164 82 F HA 0.159 4.686 4.527 -0.000 0.000 0.287 82 F C 2.656 178.449 175.800 -0.012 0.000 1.086 82 F CA 0.651 58.638 58.000 -0.021 0.000 1.249 82 F CB -0.725 38.286 39.000 0.017 0.000 1.059 82 F HN -0.312 nan 8.300 nan 0.000 0.490 83 R N 0.295 120.922 120.500 0.212 0.000 2.193 83 R HA 0.103 4.443 4.340 -0.000 0.000 0.213 83 R C 0.588 176.937 176.300 0.081 0.000 1.055 83 R CA 0.198 56.378 56.100 0.134 0.000 0.995 83 R CB -0.172 30.218 30.300 0.149 0.000 0.893 83 R HN 0.228 nan 8.270 nan 0.000 0.459 84 R N -1.685 118.853 120.500 0.064 0.000 3.819 84 R HA -0.291 4.049 4.340 -0.000 0.000 0.488 84 R C 0.928 177.306 176.300 0.130 0.000 0.241 84 R CA 0.928 57.077 56.100 0.081 0.000 1.530 84 R CB -1.485 28.794 30.300 -0.037 0.000 1.019 84 R HN 0.468 nan 8.270 nan 0.000 0.557 85 G N -0.355 108.523 108.800 0.131 0.000 2.591 85 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.298 85 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.298 85 G C 0.101 175.056 174.900 0.091 0.000 1.195 85 G CA 0.687 45.843 45.100 0.094 0.000 0.989 85 G HN 0.634 nan 8.290 nan 0.000 0.551 86 N N 2.402 121.140 118.700 0.063 0.000 2.238 86 N HA 0.112 4.852 4.740 -0.000 0.000 0.222 86 N C 0.178 175.720 175.510 0.053 0.000 1.133 86 N CA -0.059 53.017 53.050 0.044 0.000 0.854 86 N CB -0.043 38.458 38.487 0.023 0.000 1.041 86 N HN 0.476 nan 8.380 nan 0.000 0.510 87 N N 1.468 120.217 118.700 0.081 0.000 2.503 87 N HA 0.268 5.008 4.740 -0.000 0.000 0.267 87 N C 0.381 175.953 175.510 0.104 0.000 1.214 87 N CA 0.071 53.176 53.050 0.092 0.000 0.959 87 N CB 1.543 40.096 38.487 0.110 0.000 1.142 87 N HN 0.201 nan 8.380 nan 0.000 0.455 88 I N -2.542 118.089 120.570 0.101 0.000 2.969 88 I HA 0.527 4.697 4.170 -0.000 0.000 0.307 88 I C -1.052 175.135 176.117 0.116 0.000 1.149 88 I CA -1.098 60.259 61.300 0.096 0.000 1.008 88 I CB 1.673 39.698 38.000 0.041 0.000 1.232 88 I HN 0.128 nan 8.210 nan 0.000 0.435 89 L N 4.220 125.524 121.223 0.135 0.000 2.322 89 L HA 0.719 5.059 4.340 -0.000 0.000 0.279 89 L C -0.780 176.146 176.870 0.092 0.000 1.036 89 L CA -1.153 53.755 54.840 0.113 0.000 0.807 89 L CB 1.892 44.029 42.059 0.131 0.000 1.226 89 L HN 0.406 nan 8.230 nan 0.000 0.433 90 V N 3.178 123.087 119.914 -0.007 0.000 2.419 90 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 90 V C -0.012 176.077 176.094 -0.009 0.000 1.017 90 V CA -0.420 61.829 62.300 -0.085 0.000 0.844 90 V CB 1.474 33.039 31.823 -0.430 0.000 1.011 90 V HN 0.720 nan 8.190 nan 0.000 0.429 91 M N 5.235 124.907 119.600 0.121 0.000 2.219 91 M HA 0.433 4.913 4.480 -0.000 0.000 0.353 91 M C -0.311 176.079 176.300 0.150 0.000 1.304 91 M CA 0.706 56.099 55.300 0.155 0.000 1.115 91 M CB 0.167 32.932 32.600 0.275 0.000 1.664 91 M HN 0.749 nan 8.290 nan 0.000 0.459 92 C N 2.551 121.960 119.300 0.182 0.000 2.967 92 C HA 0.819 5.279 4.460 -0.000 0.000 0.372 92 C C -0.535 174.570 174.990 0.192 0.000 1.455 92 C CA -0.669 58.483 59.018 0.223 0.000 1.638 92 C CB 2.162 30.083 27.740 0.302 0.000 2.096 92 C HN 0.812 nan 8.230 nan 0.000 0.466 93 D N -0.805 119.711 120.400 0.193 0.000 2.857 93 D HA 0.552 5.192 4.640 -0.000 0.000 0.227 93 D C -1.466 174.810 176.300 -0.039 0.000 1.192 93 D CA -0.061 53.986 54.000 0.077 0.000 0.857 93 D CB 1.637 42.590 40.800 0.256 0.000 1.645 93 D HN 0.663 nan 8.370 nan 0.000 0.482 94 C N 2.795 121.901 119.300 -0.323 0.000 2.382 94 C HA 0.729 5.189 4.460 -0.000 0.000 0.327 94 C C -0.879 173.614 174.990 -0.829 0.000 1.250 94 C CA -0.605 58.192 59.018 -0.369 0.000 1.707 94 C CB -0.259 27.385 27.740 -0.160 0.000 2.272 94 C HN 0.484 nan 8.230 nan 0.000 0.506 95 Y N 0.005 120.092 120.300 -0.356 0.000 2.553 95 Y HA 0.513 5.063 4.550 -0.000 0.000 0.347 95 Y C 0.807 176.553 175.900 -0.256 0.000 1.019 95 Y CA -0.689 57.187 58.100 -0.374 0.000 1.032 95 Y CB 1.356 39.464 38.460 -0.587 0.000 1.284 95 Y HN 0.728 nan 8.280 nan 0.000 0.466 96 T N -1.380 113.139 114.554 -0.058 0.000 2.802 96 T HA 0.139 4.489 4.350 -0.000 0.000 0.305 96 T C -2.043 172.646 174.700 -0.018 0.000 1.053 96 T CA -1.367 60.695 62.100 -0.064 0.000 1.058 96 T CB 0.962 69.793 68.868 -0.061 0.000 0.988 96 T HN 0.387 nan 8.240 nan 0.000 0.539 97 P HA 0.076 nan 4.420 nan 0.000 0.222 97 P C 1.285 178.590 177.300 0.008 0.000 1.147 97 P CA 0.923 64.017 63.100 -0.010 0.000 0.790 97 P CB -0.280 31.402 31.700 -0.031 0.000 0.780 98 A N -0.749 122.070 122.820 -0.002 0.000 2.209 98 A HA 0.341 4.661 4.320 -0.000 0.000 0.212 98 A C 1.792 179.386 177.584 0.017 0.000 1.158 98 A CA 1.071 53.109 52.037 0.003 0.000 0.742 98 A CB -1.332 17.663 19.000 -0.009 0.000 0.790 98 A HN 0.271 nan 8.150 nan 0.000 0.472 99 G N -1.072 107.750 108.800 0.036 0.000 2.175 99 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 99 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 99 G C -0.188 174.746 174.900 0.056 0.000 0.982 99 G CA 0.135 45.261 45.100 0.043 0.000 0.641 99 G HN 0.490 nan 8.290 nan 0.000 0.527 100 E N 1.875 122.090 120.200 0.025 0.000 2.338 100 E HA 0.322 4.672 4.350 -0.000 0.000 0.272 100 E C -2.260 174.285 176.600 -0.092 0.000 1.029 100 E CA -1.706 54.666 56.400 -0.047 0.000 0.872 100 E CB 1.260 30.916 29.700 -0.074 0.000 1.015 100 E HN 0.289 nan 8.360 nan 0.000 0.417 101 P HA 0.078 nan 4.420 nan 0.000 0.271 101 P C 0.269 177.341 177.300 -0.380 0.000 1.216 101 P CA -0.128 62.596 63.100 -0.627 0.000 0.771 101 P CB 0.334 31.551 31.700 -0.804 0.000 0.864 102 I N 1.577 121.930 120.570 -0.361 0.000 2.882 102 I HA 0.222 4.392 4.170 -0.000 0.000 0.286 102 I C -1.476 174.543 176.117 -0.163 0.000 1.139 102 I CA -2.246 58.926 61.300 -0.213 0.000 1.379 102 I CB -0.418 37.474 38.000 -0.180 0.000 1.410 102 I HN 0.111 nan 8.210 nan 0.000 0.594 103 P HA -0.143 nan 4.420 nan 0.000 0.218 103 P C 1.098 178.372 177.300 -0.043 0.000 1.146 103 P CA 1.582 64.646 63.100 -0.060 0.000 0.813 103 P CB -0.204 31.474 31.700 -0.037 0.000 0.778 104 T N -5.324 109.202 114.554 -0.046 0.000 3.107 104 T HA 0.025 4.375 4.350 -0.000 0.000 0.249 104 T C 0.618 175.296 174.700 -0.037 0.000 1.096 104 T CA -0.347 61.742 62.100 -0.020 0.000 1.012 104 T CB -1.063 67.804 68.868 -0.001 0.000 0.977 104 T HN 0.113 nan 8.240 nan 0.000 0.527 105 N N 1.646 120.288 118.700 -0.096 0.000 2.448 105 N HA 0.098 4.838 4.740 -0.000 0.000 0.250 105 N C 0.859 176.329 175.510 -0.066 0.000 1.136 105 N CA -0.537 52.430 53.050 -0.138 0.000 0.953 105 N CB 0.252 38.550 38.487 -0.315 0.000 1.251 105 N HN -0.002 nan 8.380 nan 0.000 0.502 106 K N 2.491 122.893 120.400 0.003 0.000 2.374 106 K HA 0.010 4.330 4.320 -0.000 0.000 0.196 106 K C 1.432 177.998 176.600 -0.056 0.000 1.023 106 K CA -0.027 56.297 56.287 0.062 0.000 1.103 106 K CB 0.262 32.879 32.500 0.195 0.000 0.848 106 K HN 0.551 nan 8.250 nan 0.000 0.528 107 R N 0.084 120.394 120.500 -0.317 0.000 2.075 107 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 107 R C 1.890 178.074 176.300 -0.193 0.000 1.126 107 R CA 1.086 56.783 56.100 -0.672 0.000 0.963 107 R CB -0.175 29.665 30.300 -0.767 0.000 0.858 107 R HN 0.144 nan 8.270 nan 0.000 0.435 108 Y N 1.117 121.315 120.300 -0.169 0.000 2.049 108 Y HA -0.304 4.246 4.550 -0.000 0.000 0.277 108 Y C 2.483 178.375 175.900 -0.013 0.000 1.143 108 Y CA 2.430 60.500 58.100 -0.049 0.000 1.115 108 Y CB -0.346 38.079 38.460 -0.057 0.000 0.975 108 Y HN 0.070 nan 8.280 nan 0.000 0.487 109 S N 0.565 116.318 115.700 0.088 0.000 2.368 109 S HA -0.359 4.111 4.470 -0.000 0.000 0.226 109 S C 2.211 176.779 174.600 -0.054 0.000 1.044 109 S CA 1.479 59.678 58.200 -0.002 0.000 1.062 109 S CB -1.135 62.096 63.200 0.052 0.000 0.931 109 S HN 0.664 nan 8.310 nan 0.000 0.440 110 A N 1.626 124.446 122.820 -0.000 0.000 1.908 110 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 110 A C 2.395 180.069 177.584 0.150 0.000 1.181 110 A CA 1.839 53.920 52.037 0.074 0.000 0.627 110 A CB -1.181 17.961 19.000 0.236 0.000 0.818 110 A HN 0.554 nan 8.150 nan 0.000 0.445 111 A N -0.299 122.567 122.820 0.076 0.000 1.877 111 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 111 A C 2.135 179.729 177.584 0.017 0.000 1.186 111 A CA 1.810 53.901 52.037 0.090 0.000 0.620 111 A CB -0.502 18.494 19.000 -0.008 0.000 0.822 111 A HN 0.453 nan 8.150 nan 0.000 0.443 112 K N -0.453 119.863 120.400 -0.140 0.000 2.015 112 K HA -0.217 4.103 4.320 -0.000 0.000 0.220 112 K C 1.897 178.457 176.600 -0.068 0.000 1.055 112 K CA 2.077 58.282 56.287 -0.137 0.000 0.951 112 K CB -0.651 31.730 32.500 -0.198 0.000 0.725 112 K HN 0.598 nan 8.250 nan 0.000 0.449 113 I N -0.015 120.486 120.570 -0.115 0.000 2.248 113 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 113 I C 2.052 178.070 176.117 -0.164 0.000 1.107 113 I CA 1.399 62.587 61.300 -0.186 0.000 1.373 113 I CB -0.312 37.486 38.000 -0.337 0.000 1.055 113 I HN 0.052 nan 8.210 nan 0.000 0.418 114 F N 0.170 120.161 119.950 0.069 0.000 2.615 114 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 114 F C 2.555 178.401 175.800 0.078 0.000 1.124 114 F CA 0.604 58.666 58.000 0.103 0.000 1.451 114 F CB -0.438 38.640 39.000 0.129 0.000 1.103 114 F HN -0.077 nan 8.300 nan 0.000 0.569 115 S N -0.917 114.887 115.700 0.174 0.000 2.371 115 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 115 S C 1.022 175.670 174.600 0.079 0.000 1.036 115 S CA 0.447 58.713 58.200 0.109 0.000 0.965 115 S CB -0.441 62.794 63.200 0.059 0.000 0.845 115 S HN 0.295 nan 8.310 nan 0.000 0.475 116 S N 3.256 118.987 115.700 0.052 0.000 2.931 116 S HA -0.028 4.442 4.470 -0.000 0.000 0.342 116 S C -1.844 172.792 174.600 0.061 0.000 1.220 116 S CA -0.766 57.459 58.200 0.041 0.000 1.045 116 S CB 0.446 63.659 63.200 0.020 0.000 0.758 116 S HN 0.055 nan 8.310 nan 0.000 0.508 117 P HA -0.105 nan 4.420 nan 0.000 0.220 117 P C 1.459 178.794 177.300 0.058 0.000 1.148 117 P CA 1.016 64.150 63.100 0.055 0.000 0.803 117 P CB 0.014 31.739 31.700 0.042 0.000 0.782 118 E N -0.229 120.004 120.200 0.055 0.000 2.285 118 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 118 E C 1.663 178.308 176.600 0.076 0.000 0.997 118 E CA 0.940 57.374 56.400 0.056 0.000 0.845 118 E CB -1.177 28.552 29.700 0.048 0.000 0.782 118 E HN 0.107 nan 8.360 nan 0.000 0.491 119 V N 1.973 121.942 119.914 0.092 0.000 2.331 119 V HA -0.063 4.057 4.120 -0.000 0.000 0.242 119 V C 2.712 178.903 176.094 0.162 0.000 1.034 119 V CA 1.605 63.985 62.300 0.134 0.000 1.027 119 V CB -0.877 31.019 31.823 0.123 0.000 0.667 119 V HN 0.388 nan 8.190 nan 0.000 0.457 120 A N 0.349 123.262 122.820 0.154 0.000 1.917 120 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 120 A C 2.402 180.049 177.584 0.105 0.000 1.182 120 A CA 2.489 54.615 52.037 0.149 0.000 0.633 120 A CB -0.889 18.185 19.000 0.124 0.000 0.819 120 A HN 0.606 nan 8.150 nan 0.000 0.448 121 A N -0.719 122.149 122.820 0.078 0.000 1.908 121 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 121 A C 1.936 179.540 177.584 0.034 0.000 1.181 121 A CA 1.700 53.767 52.037 0.050 0.000 0.627 121 A CB -0.439 18.585 19.000 0.041 0.000 0.818 121 A HN 0.485 nan 8.150 nan 0.000 0.445 122 E N -0.557 119.670 120.200 0.045 0.000 2.347 122 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 122 E C 0.046 176.634 176.600 -0.021 0.000 1.008 122 E CA 0.454 56.861 56.400 0.013 0.000 0.852 122 E CB -0.220 29.508 29.700 0.046 0.000 0.783 122 E HN 0.682 nan 8.360 nan 0.000 0.505 123 E N 0.984 121.212 120.200 0.047 0.000 2.369 123 E HA -0.163 4.187 4.350 -0.000 0.000 0.165 123 E C -2.411 174.194 176.600 0.009 0.000 1.622 123 E CA -0.261 56.178 56.400 0.065 0.000 0.660 123 E CB -0.287 29.431 29.700 0.030 0.000 1.085 123 E HN 0.065 nan 8.360 nan 0.000 0.346 124 P HA 0.151 nan 4.420 nan 0.000 0.280 124 P C -0.662 176.705 177.300 0.112 0.000 1.244 124 P CA -0.044 63.067 63.100 0.018 0.000 0.784 124 P CB 0.384 32.252 31.700 0.279 0.000 0.913 125 W N 2.896 123.963 121.300 -0.388 0.000 2.520 125 W HA 0.400 5.060 4.660 -0.000 0.000 0.323 125 W C -0.601 175.633 176.519 -0.475 0.000 1.062 125 W CA -0.121 57.043 57.345 -0.301 0.000 1.215 125 W CB 0.555 29.887 29.460 -0.214 0.000 1.340 125 W HN 0.330 nan 8.180 nan 0.000 0.516 126 Y N 0.994 121.414 120.300 0.200 0.000 2.409 126 Y HA 0.638 5.188 4.550 -0.000 0.000 0.343 126 Y C 0.764 176.658 175.900 -0.010 0.000 0.973 126 Y CA -1.243 56.928 58.100 0.117 0.000 1.064 126 Y CB 2.150 40.670 38.460 0.099 0.000 1.207 126 Y HN 0.493 nan 8.280 nan 0.000 0.452 127 G N 3.290 112.152 108.800 0.104 0.000 2.660 127 G HA2 0.517 4.477 3.960 -0.000 0.000 0.305 127 G HA3 0.517 4.477 3.960 -0.000 0.000 0.305 127 G C -1.481 173.431 174.900 0.020 0.000 1.329 127 G CA -0.518 44.580 45.100 -0.003 0.000 1.000 127 G HN 0.621 nan 8.290 nan 0.000 0.514 128 I N -0.033 120.535 120.570 -0.003 0.000 2.377 128 I HA 0.560 4.730 4.170 -0.000 0.000 0.293 128 I C -0.267 175.785 176.117 -0.110 0.000 0.987 128 I CA -0.829 60.440 61.300 -0.052 0.000 1.185 128 I CB 1.568 39.504 38.000 -0.107 0.000 1.341 128 I HN 0.380 nan 8.210 nan 0.000 0.455 129 E N 5.652 125.781 120.200 -0.119 0.000 1.993 129 E HA 0.176 4.526 4.350 -0.000 0.000 0.271 129 E C -0.893 175.510 176.600 -0.329 0.000 1.008 129 E CA -0.470 55.817 56.400 -0.189 0.000 0.814 129 E CB 0.764 30.387 29.700 -0.128 0.000 1.098 129 E HN 0.518 nan 8.360 nan 0.000 0.407 130 Q N 3.293 122.778 119.800 -0.525 0.000 2.361 130 Q HA 0.072 4.412 4.340 -0.000 0.000 0.250 130 Q C -0.844 174.940 176.000 -0.360 0.000 1.023 130 Q CA 0.194 55.651 55.803 -0.576 0.000 0.915 130 Q CB 0.417 28.504 28.738 -1.086 0.000 1.238 130 Q HN 0.341 nan 8.270 nan 0.000 0.451 131 E N 3.193 123.282 120.200 -0.186 0.000 2.277 131 E HA 0.447 4.797 4.350 -0.000 0.000 0.274 131 E C -1.035 175.617 176.600 0.087 0.000 1.022 131 E CA -0.580 55.750 56.400 -0.116 0.000 0.853 131 E CB 0.930 30.527 29.700 -0.171 0.000 1.086 131 E HN 0.648 nan 8.360 nan 0.000 0.397 132 Y N -2.161 118.113 120.300 -0.043 0.000 2.689 132 Y HA 0.567 5.117 4.550 -0.000 0.000 0.333 132 Y C -1.089 174.742 175.900 -0.116 0.000 1.208 132 Y CA -1.186 56.844 58.100 -0.117 0.000 1.055 132 Y CB 1.147 39.481 38.460 -0.210 0.000 1.304 132 Y HN 0.217 nan 8.280 nan 0.000 0.455 133 T N 2.711 117.218 114.554 -0.078 0.000 2.861 133 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 133 T C -0.856 173.789 174.700 -0.092 0.000 1.003 133 T CA -0.689 61.326 62.100 -0.142 0.000 0.977 133 T CB 1.416 70.145 68.868 -0.232 0.000 0.996 133 T HN 0.637 nan 8.240 nan 0.000 0.448 134 L N 3.312 124.497 121.223 -0.064 0.000 2.307 134 L HA 0.635 4.975 4.340 -0.000 0.000 0.282 134 L C -0.614 176.141 176.870 -0.192 0.000 1.051 134 L CA -0.849 53.953 54.840 -0.065 0.000 0.804 134 L CB 0.919 43.005 42.059 0.046 0.000 1.197 134 L HN 0.379 nan 8.230 nan 0.000 0.431 135 L N 2.635 123.748 121.223 -0.183 0.000 2.370 135 L HA 0.436 4.775 4.340 -0.000 0.000 0.266 135 L C -0.465 176.319 176.870 -0.142 0.000 1.002 135 L CA -0.848 53.861 54.840 -0.217 0.000 0.818 135 L CB 2.198 44.131 42.059 -0.210 0.000 1.325 135 L HN 0.564 nan 8.230 nan 0.000 0.418 136 Q N 2.132 121.858 119.800 -0.123 0.000 2.311 136 Q HA 0.112 4.452 4.340 -0.000 0.000 0.272 136 Q C -0.318 175.646 176.000 -0.060 0.000 1.012 136 Q CA 0.108 55.868 55.803 -0.071 0.000 0.891 136 Q CB 1.032 29.748 28.738 -0.036 0.000 1.201 136 Q HN 0.283 nan 8.270 nan 0.000 0.391 137 K N 2.444 122.810 120.400 -0.057 0.000 2.448 137 K HA -0.154 4.166 4.320 -0.000 0.000 0.278 137 K C -0.359 176.215 176.600 -0.043 0.000 1.009 137 K CA 0.384 56.639 56.287 -0.054 0.000 0.995 137 K CB 0.409 32.878 32.500 -0.053 0.000 0.917 137 K HN 0.674 nan 8.250 nan 0.000 0.481 138 D N 0.257 120.632 120.400 -0.042 0.000 3.000 138 D HA -0.221 4.418 4.640 -0.000 0.000 0.201 138 D C 1.110 177.389 176.300 -0.035 0.000 1.381 138 D CA 2.494 56.471 54.000 -0.037 0.000 2.051 138 D CB -1.160 39.618 40.800 -0.037 0.000 1.331 138 D HN 0.793 nan 8.370 nan 0.000 0.502 139 T N -1.824 112.712 114.554 -0.029 0.000 3.043 139 T HA 0.032 4.381 4.350 -0.000 0.000 0.263 139 T C 0.874 175.583 174.700 0.016 0.000 1.094 139 T CA 1.258 63.344 62.100 -0.024 0.000 1.127 139 T CB 0.041 68.896 68.868 -0.022 0.000 0.905 139 T HN 0.171 nan 8.240 nan 0.000 0.490 140 N N 0.415 119.118 118.700 0.004 0.000 2.714 140 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 140 N C -0.795 174.739 175.510 0.040 0.000 1.117 140 N CA 0.736 53.780 53.050 -0.009 0.000 0.719 140 N CB -1.819 36.658 38.487 -0.016 0.000 1.081 140 N HN 0.776 nan 8.380 nan 0.000 0.557 141 W N 0.630 121.784 121.300 -0.243 0.000 2.496 141 W HA 0.345 5.005 4.660 0.000 0.000 0.327 141 W C -2.215 174.032 176.519 -0.453 0.000 1.086 141 W CA -1.887 55.256 57.345 -0.338 0.000 1.222 141 W CB 1.279 30.592 29.460 -0.244 0.000 1.304 141 W HN -0.099 nan 8.180 nan 0.000 0.547 142 P HA -0.096 nan 4.420 nan 0.000 0.265 142 P C 0.143 177.015 177.300 -0.713 0.000 1.187 142 P CA 0.379 62.763 63.100 -1.193 0.000 0.766 142 P CB 0.446 30.717 31.700 -2.382 0.000 0.820 143 L N 2.860 123.847 121.223 -0.395 0.000 2.559 143 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 143 L C 1.661 178.365 176.870 -0.277 0.000 1.232 143 L CA 1.692 56.410 54.840 -0.204 0.000 0.885 143 L CB -0.641 41.391 42.059 -0.045 0.000 1.131 143 L HN 0.857 nan 8.230 nan 0.000 0.498 144 G N 2.729 111.286 108.800 -0.406 0.000 2.234 144 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 144 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 144 G C -0.337 174.219 174.900 -0.573 0.000 0.987 144 G CA -0.012 44.464 45.100 -1.041 0.000 0.625 144 G HN 0.570 nan 8.290 nan 0.000 0.532 145 W N 2.675 123.645 121.300 -0.550 0.000 2.272 145 W HA 0.581 5.241 4.660 -0.000 0.000 0.318 145 W C -1.576 174.896 176.519 -0.079 0.000 1.255 145 W CA -2.522 54.622 57.345 -0.336 0.000 1.200 145 W CB 0.222 29.356 29.460 -0.542 0.000 1.170 145 W HN 0.014 nan 8.180 nan 0.000 0.549 146 P HA 0.180 nan 4.420 nan 0.000 0.275 146 P C -0.207 177.193 177.300 0.167 0.000 1.228 146 P CA -0.138 63.035 63.100 0.123 0.000 0.786 146 P CB 1.013 32.747 31.700 0.056 0.000 0.927 147 I N 1.214 121.793 120.570 0.016 0.000 2.618 147 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 147 I C 1.609 177.523 176.117 -0.338 0.000 1.146 147 I CA 0.712 61.898 61.300 -0.190 0.000 1.425 147 I CB -0.541 37.367 38.000 -0.154 0.000 1.383 147 I HN 0.696 nan 8.210 nan 0.000 0.562 148 G N 4.000 112.357 108.800 -0.738 0.000 2.283 148 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.280 148 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.280 148 G C 0.230 174.911 174.900 -0.364 0.000 1.029 148 G CA 0.220 44.952 45.100 -0.614 0.000 0.840 148 G HN 1.219 nan 8.290 nan 0.000 0.505 149 G N -1.878 106.751 108.800 -0.285 0.000 2.749 149 G HA2 0.797 4.757 3.960 -0.000 0.000 0.300 149 G HA3 0.797 4.757 3.960 -0.000 0.000 0.300 149 G C -1.286 173.475 174.900 -0.231 0.000 1.352 149 G CA -1.027 43.994 45.100 -0.131 0.000 0.789 149 G HN 0.506 nan 8.290 nan 0.000 0.509 150 F N 0.701 120.751 119.950 0.167 0.000 2.588 150 F HA 0.606 5.133 4.527 -0.000 0.000 0.310 150 F C -1.838 173.829 175.800 -0.222 0.000 1.082 150 F CA -1.459 56.483 58.000 -0.098 0.000 0.929 150 F CB 2.558 41.613 39.000 0.091 0.000 1.254 150 F HN 0.288 nan 8.300 nan 0.000 0.455 151 P HA 0.263 nan 4.420 nan 0.000 0.277 151 P C -0.048 177.328 177.300 0.128 0.000 1.271 151 P CA -0.350 62.645 63.100 -0.175 0.000 0.795 151 P CB 0.472 31.906 31.700 -0.442 0.000 1.101 152 G N 0.699 109.627 108.800 0.212 0.000 2.670 152 G HA2 0.170 4.130 3.960 -0.000 0.000 0.233 152 G HA3 0.170 4.130 3.960 -0.000 0.000 0.233 152 G C -2.242 172.854 174.900 0.327 0.000 1.251 152 G CA -0.494 44.742 45.100 0.227 0.000 0.849 152 G HN 0.391 nan 8.290 nan 0.000 0.588 153 P HA 0.020 nan 4.420 nan 0.000 0.269 153 P C 0.212 177.622 177.300 0.184 0.000 1.211 153 P CA 0.017 63.128 63.100 0.019 0.000 0.781 153 P CB 0.394 32.041 31.700 -0.089 0.000 0.877 154 Q N 0.157 120.027 119.800 0.117 0.000 2.369 154 Q HA 0.290 4.630 4.340 -0.000 0.000 0.295 154 Q C 1.138 177.171 176.000 0.056 0.000 1.075 154 Q CA 1.327 57.283 55.803 0.255 0.000 0.941 154 Q CB -0.032 28.800 28.738 0.157 0.000 1.260 154 Q HN 0.823 nan 8.270 nan 0.000 0.417 155 G N 1.609 110.412 108.800 0.005 0.000 4.278 155 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.160 155 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.160 155 G C -1.795 173.007 174.900 -0.164 0.000 2.002 155 G CA -0.035 45.013 45.100 -0.087 0.000 1.013 155 G HN 0.615 nan 8.290 nan 0.000 0.315 156 P HA 0.258 nan 4.420 nan 0.000 0.249 156 P C 0.730 177.802 177.300 -0.380 0.000 1.229 156 P CA 0.547 63.412 63.100 -0.391 0.000 0.788 156 P CB -0.161 31.265 31.700 -0.457 0.000 1.072 157 Y N -1.571 118.730 120.300 0.001 0.000 2.347 157 Y HA 0.032 4.582 4.550 -0.000 0.000 0.294 157 Y C 1.357 177.192 175.900 -0.109 0.000 1.117 157 Y CA -0.490 57.565 58.100 -0.074 0.000 1.184 157 Y CB -1.018 37.414 38.460 -0.046 0.000 1.047 157 Y HN -0.177 nan 8.280 nan 0.000 0.546 158 Y N 1.325 121.615 120.300 -0.017 0.000 2.745 158 Y HA -0.002 4.548 4.550 -0.000 0.000 0.335 158 Y C 0.782 176.628 175.900 -0.091 0.000 1.212 158 Y CA -0.700 57.357 58.100 -0.073 0.000 1.535 158 Y CB -0.236 38.204 38.460 -0.035 0.000 1.220 158 Y HN 0.380 nan 8.280 nan 0.000 0.531 159 C N 4.029 122.936 119.300 -0.656 0.000 4.184 159 C HA -0.218 4.241 4.460 -0.000 0.000 0.295 159 C C 1.332 176.190 174.990 -0.219 0.000 1.477 159 C CA 0.540 59.276 59.018 -0.471 0.000 2.037 159 C CB -2.457 24.940 27.740 -0.572 0.000 1.282 159 C HN 1.247 nan 8.230 nan 0.000 0.783 160 G N -0.328 108.365 108.800 -0.178 0.000 2.599 160 G HA2 0.628 4.588 3.960 -0.000 0.000 0.264 160 G HA3 0.628 4.588 3.960 -0.000 0.000 0.264 160 G C -0.416 174.444 174.900 -0.067 0.000 1.200 160 G CA -0.041 44.995 45.100 -0.108 0.000 0.896 160 G HN 1.105 nan 8.290 nan 0.000 0.536 161 I N -2.747 117.796 120.570 -0.045 0.000 2.828 161 I HA 0.929 5.099 4.170 -0.000 0.000 0.302 161 I C 0.175 176.277 176.117 -0.025 0.000 1.101 161 I CA -0.789 60.503 61.300 -0.013 0.000 1.031 161 I CB 2.318 40.320 38.000 0.003 0.000 1.231 161 I HN 1.311 nan 8.210 nan 0.000 0.427 162 G N 2.155 110.949 108.800 -0.010 0.000 2.525 162 G HA2 0.281 4.241 3.960 -0.000 0.000 0.685 162 G HA3 0.281 4.241 3.960 -0.000 0.000 0.685 162 G C 0.085 174.976 174.900 -0.016 0.000 1.285 162 G CA -0.251 44.845 45.100 -0.007 0.000 0.849 162 G HN 1.363 nan 8.290 nan 0.000 0.653 163 A N 0.033 122.869 122.820 0.027 0.000 2.019 163 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 163 A C 2.002 179.649 177.584 0.105 0.000 1.164 163 A CA 2.463 54.543 52.037 0.072 0.000 0.644 163 A CB -0.357 18.702 19.000 0.099 0.000 0.805 163 A HN 1.156 nan 8.150 nan 0.000 0.449 164 E N 0.209 120.455 120.200 0.076 0.000 2.442 164 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 164 E C 1.434 178.053 176.600 0.031 0.000 1.030 164 E CA 1.045 57.540 56.400 0.158 0.000 0.869 164 E CB -0.095 29.693 29.700 0.147 0.000 0.857 164 E HN 0.675 nan 8.360 nan 0.000 0.505 165 K N -0.151 120.140 120.400 -0.183 0.000 2.350 165 K HA 0.226 4.546 4.320 -0.000 0.000 0.196 165 K C 0.447 176.735 176.600 -0.521 0.000 1.084 165 K CA 0.345 56.530 56.287 -0.171 0.000 0.967 165 K CB 0.728 33.164 32.500 -0.106 0.000 0.950 165 K HN -0.030 nan 8.250 nan 0.000 0.512 166 S N 1.159 116.502 115.700 -0.594 0.000 2.640 166 S HA 0.473 4.943 4.470 -0.000 0.000 0.320 166 S C -1.364 173.088 174.600 -0.246 0.000 1.097 166 S CA -0.815 57.175 58.200 -0.350 0.000 1.092 166 S CB 0.121 63.316 63.200 -0.007 0.000 0.988 166 S HN 0.052 nan 8.310 nan 0.000 0.470 167 F N 2.913 123.091 119.950 0.380 0.000 2.375 167 F HA 0.644 5.171 4.527 -0.000 0.000 0.361 167 F C 1.270 177.303 175.800 0.390 0.000 1.117 167 F CA -0.660 57.526 58.000 0.309 0.000 1.037 167 F CB 1.435 40.559 39.000 0.207 0.000 1.192 167 F HN 0.798 nan 8.300 nan 0.000 0.452 168 G N 2.186 111.171 108.800 0.308 0.000 2.134 168 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.209 168 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.209 168 G C 1.339 176.023 174.900 -0.359 0.000 0.993 168 G CA 0.154 45.258 45.100 0.007 0.000 0.669 168 G HN 0.657 nan 8.290 nan 0.000 0.519 169 R N 0.207 120.539 120.500 -0.279 0.000 2.105 169 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 169 R C 2.101 178.230 176.300 -0.284 0.000 1.135 169 R CA 2.068 57.895 56.100 -0.455 0.000 0.967 169 R CB -0.348 29.892 30.300 -0.100 0.000 0.861 169 R HN 0.372 nan 8.270 nan 0.000 0.442 170 D N 0.429 120.742 120.400 -0.145 0.000 2.268 170 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 170 D C 1.744 177.971 176.300 -0.122 0.000 1.010 170 D CA 2.028 55.968 54.000 -0.099 0.000 0.862 170 D CB -0.225 40.539 40.800 -0.061 0.000 0.943 170 D HN 0.311 nan 8.370 nan 0.000 0.451 171 I N -0.387 120.082 120.570 -0.169 0.000 2.252 171 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 171 I C 2.397 178.428 176.117 -0.143 0.000 1.102 171 I CA 0.448 61.661 61.300 -0.144 0.000 1.385 171 I CB -0.080 37.825 38.000 -0.159 0.000 1.064 171 I HN -0.054 nan 8.210 nan 0.000 0.414 172 V N 0.625 120.368 119.914 -0.285 0.000 2.270 172 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 172 V C 2.062 178.149 176.094 -0.012 0.000 1.043 172 V CA 2.019 64.195 62.300 -0.208 0.000 1.014 172 V CB -0.614 30.852 31.823 -0.596 0.000 0.645 172 V HN 0.383 nan 8.190 nan 0.000 0.447 173 D N 0.244 120.620 120.400 -0.041 0.000 2.144 173 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 173 D C 2.188 178.512 176.300 0.040 0.000 0.984 173 D CA 1.549 55.582 54.000 0.054 0.000 0.834 173 D CB -0.263 40.541 40.800 0.007 0.000 0.955 173 D HN 0.435 nan 8.370 nan 0.000 0.465 174 A N 0.383 123.203 122.820 -0.000 0.000 1.902 174 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 174 A C 2.093 179.682 177.584 0.008 0.000 1.181 174 A CA 1.567 53.596 52.037 -0.013 0.000 0.623 174 A CB -0.842 18.149 19.000 -0.015 0.000 0.818 174 A HN 0.383 nan 8.150 nan 0.000 0.443 175 H N -2.300 116.730 119.070 -0.066 0.000 2.357 175 H HA -0.176 4.380 4.556 -0.000 0.000 0.301 175 H C 1.947 177.241 175.328 -0.056 0.000 1.082 175 H CA 1.869 57.853 56.048 -0.107 0.000 1.342 175 H CB -0.380 29.279 29.762 -0.170 0.000 1.389 175 H HN 0.670 nan 8.280 nan 0.000 0.511 176 Y N 1.686 121.892 120.300 -0.157 0.000 2.040 176 Y HA -0.293 4.257 4.550 -0.000 0.000 0.275 176 Y C 2.723 178.510 175.900 -0.188 0.000 1.171 176 Y CA 1.643 59.641 58.100 -0.171 0.000 1.123 176 Y CB 0.090 38.524 38.460 -0.043 0.000 0.963 176 Y HN 0.189 nan 8.280 nan 0.000 0.493 177 K N -0.121 120.271 120.400 -0.014 0.000 2.057 177 K HA -0.180 4.139 4.320 -0.000 0.000 0.207 177 K C 2.256 178.796 176.600 -0.100 0.000 1.049 177 K CA 0.923 57.147 56.287 -0.104 0.000 0.931 177 K CB -0.325 32.102 32.500 -0.123 0.000 0.714 177 K HN 0.381 nan 8.250 nan 0.000 0.440 178 A N 1.232 123.954 122.820 -0.164 0.000 1.902 178 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 178 A C 2.480 179.957 177.584 -0.177 0.000 1.181 178 A CA 1.540 53.439 52.037 -0.231 0.000 0.623 178 A CB -1.011 17.797 19.000 -0.320 0.000 0.818 178 A HN 0.395 nan 8.150 nan 0.000 0.443 179 C N -0.873 118.262 119.300 -0.275 0.000 2.436 179 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 179 C C 2.661 177.597 174.990 -0.090 0.000 1.241 179 C CA 1.048 59.906 59.018 -0.267 0.000 1.721 179 C CB -1.518 25.939 27.740 -0.472 0.000 2.043 179 C HN 0.640 nan 8.230 nan 0.000 0.472 180 L N -0.522 120.685 121.223 -0.026 0.000 2.012 180 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 180 L C 2.511 179.399 176.870 0.030 0.000 1.073 180 L CA 2.149 56.996 54.840 0.011 0.000 0.748 180 L CB -0.896 41.160 42.059 -0.005 0.000 0.891 180 L HN 0.462 nan 8.230 nan 0.000 0.431 181 Y N 0.586 120.831 120.300 -0.091 0.000 2.207 181 Y HA -0.299 4.251 4.550 -0.000 0.000 0.287 181 Y C 2.417 178.288 175.900 -0.048 0.000 1.156 181 Y CA 1.470 59.523 58.100 -0.078 0.000 1.182 181 Y CB -0.131 38.265 38.460 -0.107 0.000 0.979 181 Y HN 0.127 nan 8.280 nan 0.000 0.521 182 A N -0.268 122.621 122.820 0.114 0.000 2.015 182 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 182 A C 1.989 179.653 177.584 0.133 0.000 1.163 182 A CA 1.411 53.505 52.037 0.095 0.000 0.646 182 A CB -1.225 17.802 19.000 0.046 0.000 0.806 182 A HN 1.060 nan 8.150 nan 0.000 0.448 183 G N -1.788 107.064 108.800 0.087 0.000 2.168 183 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.197 183 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.197 183 G C -0.006 175.019 174.900 0.209 0.000 0.997 183 G CA -0.065 45.112 45.100 0.128 0.000 0.658 183 G HN 0.308 nan 8.290 nan 0.000 0.513 184 I N 1.173 121.815 120.570 0.121 0.000 2.588 184 I HA 0.132 4.301 4.170 -0.000 0.000 0.283 184 I C 0.734 176.872 176.117 0.035 0.000 1.119 184 I CA -0.359 60.970 61.300 0.049 0.000 1.419 184 I CB 0.879 38.797 38.000 -0.136 0.000 1.394 184 I HN 0.139 nan 8.210 nan 0.000 0.562 185 N N 6.519 125.243 118.700 0.040 0.000 3.050 185 N HA 0.150 4.890 4.740 -0.000 0.000 0.289 185 N C -0.414 175.105 175.510 0.015 0.000 1.209 185 N CA -0.084 52.974 53.050 0.013 0.000 1.154 185 N CB -0.213 38.263 38.487 -0.019 0.000 1.444 185 N HN 0.568 nan 8.380 nan 0.000 0.529 186 I N 1.586 122.174 120.570 0.030 0.000 2.337 186 I HA 0.106 4.276 4.170 -0.000 0.000 0.291 186 I C 0.933 177.089 176.117 0.066 0.000 1.046 186 I CA -0.073 61.251 61.300 0.039 0.000 1.324 186 I CB 0.675 38.667 38.000 -0.012 0.000 1.409 186 I HN 0.409 nan 8.210 nan 0.000 0.494 187 S N 5.104 120.825 115.700 0.035 0.000 2.478 187 S HA 0.461 4.931 4.470 -0.000 0.000 0.222 187 S C 0.733 175.362 174.600 0.049 0.000 1.008 187 S CA 0.184 58.409 58.200 0.042 0.000 0.928 187 S CB 0.191 63.395 63.200 0.008 0.000 0.781 187 S HN 0.916 nan 8.310 nan 0.000 0.518 188 G N 0.831 109.596 108.800 -0.059 0.000 2.313 188 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 188 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 188 G C -1.889 172.876 174.900 -0.224 0.000 1.356 188 G CA -0.561 44.461 45.100 -0.131 0.000 0.833 188 G HN 0.748 nan 8.290 nan 0.000 0.552 189 I N -1.939 118.544 120.570 -0.145 0.000 2.913 189 I HA 0.889 5.059 4.170 -0.000 0.000 0.302 189 I C -1.233 174.932 176.117 0.080 0.000 1.246 189 I CA -1.311 59.979 61.300 -0.018 0.000 1.010 189 I CB 2.674 40.644 38.000 -0.049 0.000 1.259 189 I HN 0.904 nan 8.210 nan 0.000 0.434 190 N N 1.708 120.483 118.700 0.126 0.000 2.484 190 N HA 0.629 5.369 4.740 -0.000 0.000 0.269 190 N C -0.749 174.785 175.510 0.040 0.000 1.237 190 N CA -0.888 52.194 53.050 0.052 0.000 0.838 190 N CB 1.797 40.233 38.487 -0.085 0.000 1.593 190 N HN 0.951 nan 8.380 nan 0.000 0.485 191 G N 0.192 108.848 108.800 -0.240 0.000 2.403 191 G HA2 0.289 4.249 3.960 -0.000 0.000 0.259 191 G HA3 0.289 4.249 3.960 -0.000 0.000 0.259 191 G C -0.348 174.210 174.900 -0.569 0.000 1.244 191 G CA -0.210 44.348 45.100 -0.903 0.000 0.849 191 G HN 0.528 nan 8.290 nan 0.000 0.532 192 E N 0.799 120.694 120.200 -0.509 0.000 2.504 192 E HA 0.223 4.573 4.350 -0.000 0.000 0.253 192 E C 1.701 178.303 176.600 0.003 0.000 1.151 192 E CA -0.782 55.534 56.400 -0.139 0.000 0.972 192 E CB 1.493 31.112 29.700 -0.135 0.000 1.247 192 E HN 0.116 nan 8.360 nan 0.000 0.519 193 V N 0.524 120.520 119.914 0.137 0.000 2.358 193 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 193 V C 1.585 177.816 176.094 0.228 0.000 1.047 193 V CA 1.211 63.629 62.300 0.197 0.000 1.035 193 V CB -0.245 31.655 31.823 0.128 0.000 0.658 193 V HN 0.541 nan 8.190 nan 0.000 0.452 194 M N 3.082 122.769 119.600 0.145 0.000 2.188 194 M HA 0.262 4.742 4.480 -0.000 0.000 0.354 194 M C -2.393 173.907 176.300 -0.000 0.000 1.342 194 M CA -1.763 53.644 55.300 0.177 0.000 1.117 194 M CB 1.223 33.914 32.600 0.151 0.000 1.670 194 M HN -0.011 nan 8.290 nan 0.000 0.466 195 P HA 0.080 nan 4.420 nan 0.000 0.265 195 P C 0.489 177.874 177.300 0.141 0.000 1.193 195 P CA 1.036 63.979 63.100 -0.262 0.000 0.765 195 P CB 0.522 31.787 31.700 -0.725 0.000 0.823 196 G N 1.381 110.283 108.800 0.171 0.000 2.176 196 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 196 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 196 G C 0.085 174.989 174.900 0.006 0.000 0.979 196 G CA 0.025 45.226 45.100 0.169 0.000 0.641 196 G HN 0.693 nan 8.290 nan 0.000 0.530 197 Q N -0.674 119.000 119.800 -0.209 0.000 2.256 197 Q HA 0.616 4.956 4.340 -0.000 0.000 0.257 197 Q C -0.637 175.013 176.000 -0.584 0.000 0.936 197 Q CA -0.904 54.722 55.803 -0.295 0.000 0.903 197 Q CB 0.897 29.500 28.738 -0.224 0.000 1.263 197 Q HN 0.353 nan 8.270 nan 0.000 0.440 198 W N 1.107 122.063 121.300 -0.574 0.000 3.040 198 W HA 0.500 5.160 4.660 -0.000 0.000 0.344 198 W C -0.850 175.290 176.519 -0.631 0.000 1.201 198 W CA -0.539 56.477 57.345 -0.549 0.000 1.119 198 W CB 1.551 30.720 29.460 -0.485 0.000 1.478 198 W HN 0.544 nan 8.180 nan 0.000 0.586 199 E N 1.183 121.394 120.200 0.018 0.000 2.321 199 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 199 E C -1.734 175.002 176.600 0.227 0.000 0.902 199 E CA -0.658 55.757 56.400 0.024 0.000 0.758 199 E CB 1.748 31.418 29.700 -0.049 0.000 1.213 199 E HN 0.285 nan 8.360 nan 0.000 0.426 200 F N 0.621 120.673 119.950 0.170 0.000 2.611 200 F HA 0.680 5.207 4.527 -0.000 0.000 0.324 200 F C -1.094 174.714 175.800 0.014 0.000 1.061 200 F CA -0.934 57.104 58.000 0.063 0.000 0.954 200 F CB 1.357 40.421 39.000 0.107 0.000 1.301 200 F HN 0.223 nan 8.300 nan 0.000 0.482 201 Q N 1.282 121.186 119.800 0.172 0.000 2.330 201 Q HA 0.592 4.932 4.340 -0.000 0.000 0.269 201 Q C -1.328 174.754 176.000 0.136 0.000 1.022 201 Q CA -0.839 54.999 55.803 0.058 0.000 0.796 201 Q CB 2.565 31.312 28.738 0.015 0.000 1.271 201 Q HN 0.655 nan 8.270 nan 0.000 0.450 202 V N 2.907 122.883 119.914 0.103 0.000 2.353 202 V HA 0.469 4.589 4.120 -0.000 0.000 0.264 202 V C 0.815 176.914 176.094 0.010 0.000 1.049 202 V CA -0.346 62.004 62.300 0.082 0.000 0.896 202 V CB 0.475 32.350 31.823 0.087 0.000 1.025 202 V HN 0.871 nan 8.190 nan 0.000 0.475 203 G N 6.550 115.343 108.800 -0.012 0.000 2.631 203 G HA2 0.324 4.284 3.960 -0.000 0.000 0.271 203 G HA3 0.324 4.284 3.960 -0.000 0.000 0.271 203 G C -2.604 172.223 174.900 -0.122 0.000 1.302 203 G CA -1.131 43.930 45.100 -0.065 0.000 1.002 203 G HN 0.568 nan 8.290 nan 0.000 0.519 204 P HA 0.217 nan 4.420 nan 0.000 0.265 204 P C -0.641 176.421 177.300 -0.398 0.000 1.222 204 P CA 0.280 63.171 63.100 -0.349 0.000 0.767 204 P CB 0.967 32.299 31.700 -0.613 0.000 0.801 205 S N 1.807 117.383 115.700 -0.207 0.000 2.526 205 S HA 0.467 4.937 4.470 -0.000 0.000 0.293 205 S C -0.346 174.245 174.600 -0.014 0.000 1.092 205 S CA -0.795 57.330 58.200 -0.126 0.000 0.980 205 S CB 1.531 64.718 63.200 -0.022 0.000 1.048 205 S HN 0.362 nan 8.310 nan 0.000 0.483 206 V N 2.481 122.384 119.914 -0.019 0.000 2.465 206 V HA 0.818 4.938 4.120 -0.000 0.000 0.279 206 V C 0.919 177.026 176.094 0.021 0.000 1.045 206 V CA 0.797 63.160 62.300 0.106 0.000 0.938 206 V CB 0.010 31.925 31.823 0.152 0.000 0.986 206 V HN 1.248 nan 8.190 nan 0.000 0.467 207 G N 5.056 113.850 108.800 -0.011 0.000 2.672 207 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.324 207 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.324 207 G C 0.657 174.982 174.900 -0.959 0.000 1.286 207 G CA 1.043 45.683 45.100 -0.766 0.000 1.004 207 G HN 1.368 nan 8.290 nan 0.000 0.548 208 I N 2.271 122.426 120.570 -0.690 0.000 2.454 208 I HA -0.046 4.124 4.170 -0.000 0.000 0.254 208 I C 3.008 179.123 176.117 -0.004 0.000 1.156 208 I CA 2.491 63.657 61.300 -0.222 0.000 1.433 208 I CB -0.396 37.624 38.000 0.033 0.000 1.082 208 I HN 0.759 nan 8.210 nan 0.000 0.432 209 S N -1.721 113.967 115.700 -0.021 0.000 2.481 209 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 209 S C 2.155 176.799 174.600 0.072 0.000 0.996 209 S CA 1.079 59.320 58.200 0.069 0.000 0.942 209 S CB -0.706 62.522 63.200 0.047 0.000 0.768 209 S HN 0.480 nan 8.310 nan 0.000 0.520 210 S N 1.757 117.461 115.700 0.006 0.000 2.348 210 S HA 0.029 4.499 4.470 -0.000 0.000 0.221 210 S C 2.105 176.676 174.600 -0.048 0.000 1.033 210 S CA 1.532 59.724 58.200 -0.013 0.000 1.010 210 S CB -1.368 61.814 63.200 -0.029 0.000 0.891 210 S HN 0.721 nan 8.310 nan 0.000 0.442 211 G N 1.097 109.871 108.800 -0.043 0.000 2.440 211 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 211 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 211 G C 1.182 176.055 174.900 -0.046 0.000 1.154 211 G CA 1.230 46.222 45.100 -0.179 0.000 0.767 211 G HN 0.531 nan 8.290 nan 0.000 0.552 212 D N 0.258 120.836 120.400 0.297 0.000 2.123 212 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 212 D C 2.624 179.069 176.300 0.241 0.000 0.992 212 D CA 0.978 55.202 54.000 0.373 0.000 0.833 212 D CB -0.272 40.765 40.800 0.395 0.000 0.954 212 D HN 0.402 nan 8.370 nan 0.000 0.455 213 Q N -0.090 119.805 119.800 0.159 0.000 2.123 213 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 213 Q C 2.336 178.312 176.000 -0.040 0.000 0.966 213 Q CA 0.551 56.378 55.803 0.039 0.000 0.845 213 Q CB 0.201 28.986 28.738 0.079 0.000 0.907 213 Q HN 0.128 nan 8.270 nan 0.000 0.439 214 V N -0.398 119.476 119.914 -0.068 0.000 2.270 214 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 214 V C 1.660 177.662 176.094 -0.154 0.000 1.043 214 V CA 1.845 64.063 62.300 -0.136 0.000 1.014 214 V CB -0.682 30.954 31.823 -0.311 0.000 0.645 214 V HN 0.501 nan 8.190 nan 0.000 0.447 215 W N -0.251 120.950 121.300 -0.165 0.000 2.304 215 W HA -0.246 4.414 4.660 -0.000 0.000 0.315 215 W C 2.430 178.911 176.519 -0.064 0.000 1.233 215 W CA 1.526 58.789 57.345 -0.137 0.000 1.261 215 W CB -0.758 28.612 29.460 -0.150 0.000 1.150 215 W HN 0.035 nan 8.180 nan 0.000 0.494 216 V N 0.213 120.200 119.914 0.122 0.000 2.453 216 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 216 V C 2.285 178.370 176.094 -0.015 0.000 1.048 216 V CA 1.733 64.015 62.300 -0.030 0.000 1.049 216 V CB -1.432 30.148 31.823 -0.404 0.000 0.672 216 V HN 0.268 nan 8.190 nan 0.000 0.457 217 A N 0.096 122.880 122.820 -0.060 0.000 1.940 217 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 217 A C 2.387 180.039 177.584 0.112 0.000 1.176 217 A CA 1.882 53.894 52.037 -0.042 0.000 0.631 217 A CB -0.458 18.507 19.000 -0.059 0.000 0.814 217 A HN 0.508 nan 8.150 nan 0.000 0.446 218 R N -2.371 118.211 120.500 0.137 0.000 2.075 218 R HA -0.114 4.225 4.340 -0.000 0.000 0.232 218 R C 2.175 178.576 176.300 0.167 0.000 1.126 218 R CA 1.597 57.775 56.100 0.131 0.000 0.963 218 R CB -0.516 29.769 30.300 -0.025 0.000 0.858 218 R HN 0.695 nan 8.270 nan 0.000 0.435 219 Y N 1.581 121.932 120.300 0.085 0.000 2.128 219 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 219 Y C 1.980 177.936 175.900 0.094 0.000 1.154 219 Y CA 1.604 59.747 58.100 0.071 0.000 1.149 219 Y CB -0.198 38.299 38.460 0.061 0.000 0.976 219 Y HN -0.056 nan 8.280 nan 0.000 0.505 220 I N -0.601 120.134 120.570 0.274 0.000 2.163 220 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 220 I C 2.347 178.577 176.117 0.188 0.000 1.085 220 I CA 1.344 62.817 61.300 0.288 0.000 1.347 220 I CB -0.589 37.522 38.000 0.185 0.000 1.044 220 I HN 0.318 nan 8.210 nan 0.000 0.408 221 L N 1.060 122.318 121.223 0.059 0.000 1.990 221 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 221 L C 2.477 179.234 176.870 -0.188 0.000 1.072 221 L CA 2.083 56.772 54.840 -0.252 0.000 0.755 221 L CB -0.646 41.077 42.059 -0.561 0.000 0.889 221 L HN 0.226 nan 8.230 nan 0.000 0.432 222 E N -1.342 118.764 120.200 -0.158 0.000 2.150 222 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 222 E C 2.196 178.640 176.600 -0.260 0.000 0.985 222 E CA 0.445 56.734 56.400 -0.185 0.000 0.814 222 E CB 0.040 29.669 29.700 -0.118 0.000 0.752 222 E HN 0.355 nan 8.360 nan 0.000 0.466 223 R N 0.230 120.509 120.500 -0.368 0.000 2.120 223 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 223 R C 2.291 178.411 176.300 -0.300 0.000 1.123 223 R CA 0.880 56.696 56.100 -0.475 0.000 0.975 223 R CB -0.373 29.419 30.300 -0.846 0.000 0.866 223 R HN 0.376 nan 8.270 nan 0.000 0.446 224 I N 0.700 121.212 120.570 -0.097 0.000 2.233 224 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 224 I C 2.484 178.551 176.117 -0.085 0.000 1.093 224 I CA 1.680 62.973 61.300 -0.012 0.000 1.380 224 I CB -0.596 37.446 38.000 0.070 0.000 1.067 224 I HN 0.253 nan 8.210 nan 0.000 0.413 225 T N -1.594 112.885 114.554 -0.124 0.000 2.746 225 T HA -0.268 4.081 4.350 -0.000 0.000 0.267 225 T C 1.707 176.334 174.700 -0.121 0.000 1.039 225 T CA 1.515 63.541 62.100 -0.124 0.000 1.142 225 T CB -0.556 68.224 68.868 -0.147 0.000 0.866 225 T HN 0.394 nan 8.240 nan 0.000 0.444 226 E N 0.927 121.037 120.200 -0.150 0.000 2.065 226 E HA -0.180 4.170 4.350 -0.000 0.000 0.201 226 E C 2.170 178.697 176.600 -0.123 0.000 1.016 226 E CA 1.735 58.047 56.400 -0.147 0.000 0.818 226 E CB -0.374 29.210 29.700 -0.194 0.000 0.749 226 E HN 0.654 nan 8.360 nan 0.000 0.453 227 I N 0.593 121.088 120.570 -0.125 0.000 2.286 227 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 227 I C 2.357 178.435 176.117 -0.064 0.000 1.115 227 I CA 1.067 62.314 61.300 -0.089 0.000 1.392 227 I CB -0.202 37.759 38.000 -0.065 0.000 1.065 227 I HN 0.164 nan 8.210 nan 0.000 0.418 228 A N 0.259 123.041 122.820 -0.064 0.000 2.206 228 A HA 0.207 4.527 4.320 -0.000 0.000 0.211 228 A C 1.850 179.402 177.584 -0.053 0.000 1.158 228 A CA 0.815 52.821 52.037 -0.052 0.000 0.761 228 A CB -0.785 18.183 19.000 -0.053 0.000 0.801 228 A HN 0.587 nan 8.150 nan 0.000 0.473 229 G N -1.517 107.245 108.800 -0.064 0.000 2.176 229 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.252 229 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.252 229 G C 0.045 174.907 174.900 -0.063 0.000 1.024 229 G CA 0.373 45.437 45.100 -0.061 0.000 0.755 229 G HN 0.838 nan 8.290 nan 0.000 0.507 230 V N -0.661 119.208 119.914 -0.074 0.000 2.960 230 V HA 0.737 4.857 4.120 -0.000 0.000 0.315 230 V C 0.464 176.499 176.094 -0.097 0.000 1.087 230 V CA -0.836 61.417 62.300 -0.078 0.000 0.982 230 V CB 2.270 34.052 31.823 -0.069 0.000 1.039 230 V HN 0.234 nan 8.190 nan 0.000 0.437 231 V N 3.384 123.235 119.914 -0.105 0.000 2.612 231 V HA 0.559 4.678 4.120 -0.000 0.000 0.301 231 V C -0.428 175.574 176.094 -0.155 0.000 1.046 231 V CA -0.503 61.723 62.300 -0.123 0.000 0.946 231 V CB 1.971 33.728 31.823 -0.111 0.000 1.003 231 V HN 0.667 nan 8.190 nan 0.000 0.459 232 V N 1.582 121.376 119.914 -0.201 0.000 2.513 232 V HA 0.787 4.907 4.120 -0.000 0.000 0.299 232 V C -0.046 175.824 176.094 -0.373 0.000 1.035 232 V CA -0.521 61.592 62.300 -0.313 0.000 0.889 232 V CB 1.486 33.012 31.823 -0.495 0.000 0.988 232 V HN 0.930 nan 8.190 nan 0.000 0.440 233 T N 0.365 114.678 114.554 -0.402 0.000 2.856 233 T HA 0.683 5.033 4.350 -0.000 0.000 0.283 233 T C -0.297 174.104 174.700 -0.499 0.000 1.008 233 T CA -0.288 61.605 62.100 -0.344 0.000 0.997 233 T CB 1.636 70.397 68.868 -0.179 0.000 0.992 233 T HN 0.388 nan 8.240 nan 0.000 0.454 234 F N 0.041 119.984 119.950 -0.012 0.000 2.639 234 F HA 0.276 4.803 4.527 -0.000 0.000 0.300 234 F C 1.005 176.791 175.800 -0.024 0.000 1.109 234 F CA -0.995 56.995 58.000 -0.016 0.000 1.335 234 F CB 0.067 39.045 39.000 -0.037 0.000 1.014 234 F HN 0.585 nan 8.300 nan 0.000 0.537 235 D N 2.455 122.899 120.400 0.072 0.000 2.458 235 D HA 0.007 4.647 4.640 -0.000 0.000 0.243 235 D C -1.313 175.006 176.300 0.031 0.000 1.146 235 D CA -1.353 52.674 54.000 0.045 0.000 0.877 235 D CB 1.087 41.887 40.800 0.000 0.000 1.176 235 D HN -0.059 nan 8.370 nan 0.000 0.461 236 P HA -0.081 nan 4.420 nan 0.000 0.226 236 P C -0.156 177.160 177.300 0.027 0.000 1.153 236 P CA 0.965 64.088 63.100 0.038 0.000 0.777 236 P CB 0.228 31.959 31.700 0.052 0.000 0.794 237 K N 0.037 120.448 120.400 0.018 0.000 3.050 237 K HA 0.248 4.568 4.320 -0.000 0.000 0.185 237 K C -2.135 174.460 176.600 -0.008 0.000 1.147 237 K CA -1.538 54.759 56.287 0.016 0.000 0.916 237 K CB 0.588 33.116 32.500 0.046 0.000 1.119 237 K HN -0.198 nan 8.250 nan 0.000 0.605 238 P HA -0.039 nan 4.420 nan 0.000 0.221 238 P C -0.019 177.206 177.300 -0.125 0.000 1.150 238 P CA 0.606 63.636 63.100 -0.116 0.000 0.800 238 P CB 0.331 31.905 31.700 -0.210 0.000 0.787 239 I N 0.793 121.300 120.570 -0.105 0.000 2.418 239 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 239 I C -2.582 173.628 176.117 0.155 0.000 1.008 239 I CA -3.709 57.569 61.300 -0.036 0.000 1.104 239 I CB 1.126 38.995 38.000 -0.219 0.000 1.264 239 I HN -0.229 nan 8.210 nan 0.000 0.438 240 P HA 0.517 nan 4.420 nan 0.000 0.274 240 P C 0.444 177.924 177.300 0.299 0.000 1.237 240 P CA 0.400 63.626 63.100 0.210 0.000 0.793 240 P CB 0.880 32.689 31.700 0.182 0.000 0.977 241 G N 1.140 110.062 108.800 0.204 0.000 2.445 241 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.212 241 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.212 241 G C -0.751 174.174 174.900 0.042 0.000 1.217 241 G CA -0.166 45.021 45.100 0.144 0.000 1.002 241 G HN 0.571 nan 8.290 nan 0.000 0.574 242 D N 1.102 121.381 120.400 -0.200 0.000 2.845 242 D HA 0.490 5.130 4.640 -0.000 0.000 0.235 242 D C -0.781 175.019 176.300 -0.832 0.000 1.158 242 D CA 0.038 53.836 54.000 -0.337 0.000 0.990 242 D CB -0.544 40.041 40.800 -0.358 0.000 1.094 242 D HN 0.442 nan 8.370 nan 0.000 0.486 243 W N 0.985 122.077 121.300 -0.346 0.000 3.259 243 W HA 0.314 4.974 4.660 -0.000 0.000 0.331 243 W C -0.022 176.233 176.519 -0.440 0.000 1.144 243 W CA -1.221 55.977 57.345 -0.245 0.000 1.227 243 W CB 0.678 30.140 29.460 0.004 0.000 1.371 243 W HN -0.179 nan 8.180 nan 0.000 0.491 244 N N 0.959 119.633 118.700 -0.043 0.000 2.345 244 N HA 0.305 5.045 4.740 -0.000 0.000 0.243 244 N C 0.494 176.005 175.510 0.002 0.000 1.246 244 N CA 0.835 53.860 53.050 -0.041 0.000 0.863 244 N CB 0.564 39.087 38.487 0.060 0.000 1.096 244 N HN 0.621 nan 8.380 nan 0.000 0.446 245 G N -0.999 107.810 108.800 0.016 0.000 2.583 245 G HA2 0.699 4.659 3.960 -0.000 0.000 0.280 245 G HA3 0.699 4.659 3.960 -0.000 0.000 0.280 245 G C -1.304 173.603 174.900 0.012 0.000 1.376 245 G CA -0.434 44.678 45.100 0.020 0.000 1.043 245 G HN 0.648 nan 8.290 nan 0.000 0.538 246 A N -0.930 121.894 122.820 0.006 0.000 2.335 246 A HA 0.797 5.117 4.320 -0.000 0.000 0.304 246 A C 0.245 177.821 177.584 -0.014 0.000 1.118 246 A CA 0.097 52.122 52.037 -0.020 0.000 0.757 246 A CB 1.252 20.238 19.000 -0.024 0.000 1.188 246 A HN 1.336 nan 8.150 nan 0.000 0.460 247 G N 0.164 108.924 108.800 -0.066 0.000 2.601 247 G HA2 0.671 4.631 3.960 -0.000 0.000 0.317 247 G HA3 0.671 4.631 3.960 -0.000 0.000 0.317 247 G C -0.109 174.682 174.900 -0.182 0.000 1.246 247 G CA -0.092 44.963 45.100 -0.076 0.000 1.012 247 G HN 1.726 nan 8.290 nan 0.000 0.494 248 A N 0.169 122.902 122.820 -0.146 0.000 3.159 248 A HA 0.504 4.824 4.320 -0.000 0.000 0.330 248 A C -0.083 177.449 177.584 -0.087 0.000 1.032 248 A CA -0.574 51.345 52.037 -0.197 0.000 0.841 248 A CB -0.674 18.193 19.000 -0.222 0.000 1.093 248 A HN 0.760 nan 8.150 nan 0.000 0.478 249 H N 0.816 119.844 119.070 -0.070 0.000 3.140 249 H HA 0.094 4.650 4.556 -0.000 0.000 0.316 249 H C 0.039 175.347 175.328 -0.033 0.000 0.986 249 H CA 0.709 56.742 56.048 -0.023 0.000 1.397 249 H CB 0.516 30.291 29.762 0.022 0.000 1.377 249 H HN 0.379 nan 8.280 nan 0.000 0.585 250 T N 5.066 119.690 114.554 0.117 0.000 2.788 250 T HA 0.125 4.475 4.350 -0.000 0.000 0.296 250 T C 0.221 174.995 174.700 0.123 0.000 1.009 250 T CA -0.990 61.165 62.100 0.091 0.000 0.949 250 T CB 0.245 69.141 68.868 0.046 0.000 0.946 250 T HN 0.541 nan 8.240 nan 0.000 0.453 251 N N 2.935 121.700 118.700 0.109 0.000 2.499 251 N HA 0.340 5.080 4.740 -0.000 0.000 0.281 251 N C -1.095 174.452 175.510 0.061 0.000 1.098 251 N CA -0.249 52.837 53.050 0.060 0.000 0.979 251 N CB 1.693 40.140 38.487 -0.068 0.000 1.121 251 N HN 0.675 nan 8.380 nan 0.000 0.466 252 Y N 0.368 120.511 120.300 -0.261 0.000 2.504 252 Y HA 0.381 4.931 4.550 -0.000 0.000 0.344 252 Y C -1.083 174.656 175.900 -0.268 0.000 1.023 252 Y CA -0.631 57.252 58.100 -0.362 0.000 1.020 252 Y CB 1.494 39.640 38.460 -0.524 0.000 1.282 252 Y HN 0.600 nan 8.280 nan 0.000 0.454 253 S N 2.593 117.812 115.700 -0.803 0.000 2.548 253 S HA 0.579 5.049 4.470 -0.000 0.000 0.278 253 S C -1.097 173.035 174.600 -0.779 0.000 1.150 253 S CA -0.488 57.335 58.200 -0.628 0.000 0.907 253 S CB 1.238 64.329 63.200 -0.181 0.000 1.108 253 S HN 0.900 nan 8.310 nan 0.000 0.459 254 T N -0.172 114.025 114.554 -0.596 0.000 2.944 254 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 254 T C 1.021 175.501 174.700 -0.367 0.000 1.010 254 T CA -0.363 61.489 62.100 -0.414 0.000 1.025 254 T CB 1.379 70.116 68.868 -0.218 0.000 1.079 254 T HN 0.696 nan 8.240 nan 0.000 0.516 255 E N 1.501 121.505 120.200 -0.327 0.000 2.095 255 E HA -0.262 4.088 4.350 -0.000 0.000 0.212 255 E C 2.177 178.663 176.600 -0.190 0.000 1.044 255 E CA 2.702 58.937 56.400 -0.275 0.000 0.857 255 E CB -0.814 28.787 29.700 -0.164 0.000 0.764 255 E HN 0.803 nan 8.360 nan 0.000 0.462 256 S N -1.000 114.625 115.700 -0.125 0.000 2.447 256 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 256 S C 2.050 176.610 174.600 -0.067 0.000 1.006 256 S CA 1.212 59.366 58.200 -0.076 0.000 0.957 256 S CB -0.244 62.931 63.200 -0.042 0.000 0.773 256 S HN 0.259 nan 8.310 nan 0.000 0.507 257 M N 1.342 120.886 119.600 -0.093 0.000 2.349 257 M HA 0.091 4.571 4.480 -0.000 0.000 0.266 257 M C 2.071 178.339 176.300 -0.053 0.000 1.076 257 M CA 0.885 56.157 55.300 -0.047 0.000 1.126 257 M CB -0.083 32.494 32.600 -0.038 0.000 1.392 257 M HN 0.369 nan 8.290 nan 0.000 0.440 258 R N -0.274 120.150 120.500 -0.127 0.000 2.317 258 R HA 0.215 4.555 4.340 -0.000 0.000 0.208 258 R C 0.653 176.906 176.300 -0.080 0.000 0.914 258 R CA 0.106 56.137 56.100 -0.114 0.000 1.060 258 R CB 0.041 30.207 30.300 -0.222 0.000 1.015 258 R HN 0.179 nan 8.270 nan 0.000 0.498 259 K N 1.403 121.760 120.400 -0.072 0.000 2.177 259 K HA 0.110 4.430 4.320 -0.000 0.000 0.238 259 K C -0.341 176.249 176.600 -0.016 0.000 1.015 259 K CA -0.739 55.521 56.287 -0.044 0.000 0.922 259 K CB 0.940 33.410 32.500 -0.050 0.000 1.127 259 K HN -0.243 nan 8.250 nan 0.000 0.469 260 E N 0.024 120.220 120.200 -0.007 0.000 2.529 260 E HA 0.007 4.357 4.350 -0.000 0.000 0.259 260 E C 0.169 176.778 176.600 0.015 0.000 0.966 260 E CA 1.660 58.064 56.400 0.006 0.000 0.937 260 E CB 0.150 29.853 29.700 0.005 0.000 0.923 260 E HN 0.698 nan 8.360 nan 0.000 0.468 261 G N 3.107 111.926 108.800 0.033 0.000 2.341 261 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.292 261 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.292 261 G C 0.972 175.907 174.900 0.057 0.000 1.021 261 G CA 0.654 45.785 45.100 0.052 0.000 0.905 261 G HN 0.754 nan 8.290 nan 0.000 0.508 262 G N -0.616 108.220 108.800 0.060 0.000 2.422 262 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 262 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 262 G C 1.362 176.336 174.900 0.124 0.000 1.140 262 G CA 1.435 46.570 45.100 0.058 0.000 0.775 262 G HN 0.561 nan 8.290 nan 0.000 0.545 263 Y N 1.869 122.162 120.300 -0.012 0.000 2.181 263 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 263 Y C 2.620 178.502 175.900 -0.030 0.000 1.179 263 Y CA 1.473 59.565 58.100 -0.013 0.000 1.179 263 Y CB -0.080 38.381 38.460 0.002 0.000 0.973 263 Y HN 0.216 nan 8.280 nan 0.000 0.519 264 E N -0.585 119.607 120.200 -0.013 0.000 2.072 264 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 264 E C 2.501 179.040 176.600 -0.101 0.000 0.985 264 E CA 1.439 57.770 56.400 -0.115 0.000 0.801 264 E CB -0.724 28.941 29.700 -0.059 0.000 0.750 264 E HN 0.386 nan 8.360 nan 0.000 0.452 265 V N 1.728 121.620 119.914 -0.037 0.000 2.332 265 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 265 V C 2.476 178.550 176.094 -0.034 0.000 1.055 265 V CA 1.431 63.717 62.300 -0.022 0.000 1.038 265 V CB -0.600 31.228 31.823 0.008 0.000 0.651 265 V HN 0.165 nan 8.190 nan 0.000 0.450 266 I N -0.018 120.544 120.570 -0.014 0.000 2.091 266 I HA -0.324 3.846 4.170 -0.000 0.000 0.239 266 I C 2.653 178.579 176.117 -0.318 0.000 1.061 266 I CA 1.988 63.255 61.300 -0.056 0.000 1.317 266 I CB -0.469 37.601 38.000 0.118 0.000 1.031 266 I HN 0.274 nan 8.210 nan 0.000 0.401 267 K N 0.729 120.894 120.400 -0.392 0.000 2.113 267 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 267 K C 2.193 178.575 176.600 -0.363 0.000 1.047 267 K CA 1.575 57.551 56.287 -0.518 0.000 0.928 267 K CB -0.332 31.900 32.500 -0.447 0.000 0.716 267 K HN 0.382 nan 8.250 nan 0.000 0.446 268 A N 1.654 124.338 122.820 -0.227 0.000 1.873 268 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 268 A C 2.438 179.949 177.584 -0.122 0.000 1.186 268 A CA 1.746 53.699 52.037 -0.140 0.000 0.616 268 A CB -0.784 18.167 19.000 -0.081 0.000 0.823 268 A HN 0.319 nan 8.150 nan 0.000 0.442 269 A N 0.081 122.837 122.820 -0.106 0.000 1.883 269 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 269 A C 2.130 179.609 177.584 -0.175 0.000 1.186 269 A CA 1.683 53.697 52.037 -0.038 0.000 0.624 269 A CB -0.741 18.319 19.000 0.101 0.000 0.822 269 A HN 0.505 nan 8.150 nan 0.000 0.444 270 I N -0.770 119.542 120.570 -0.430 0.000 2.194 270 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 270 I C 2.578 178.516 176.117 -0.299 0.000 1.093 270 I CA 1.818 62.838 61.300 -0.466 0.000 1.355 270 I CB -0.327 37.182 38.000 -0.819 0.000 1.046 270 I HN 0.339 nan 8.210 nan 0.000 0.413 271 E N 1.480 121.518 120.200 -0.269 0.000 2.058 271 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 271 E C 2.077 178.597 176.600 -0.135 0.000 0.997 271 E CA 1.581 57.872 56.400 -0.182 0.000 0.801 271 E CB -0.056 29.569 29.700 -0.124 0.000 0.746 271 E HN 0.322 nan 8.360 nan 0.000 0.450 272 K N -0.101 120.273 120.400 -0.044 0.000 2.057 272 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 272 K C 2.371 178.939 176.600 -0.053 0.000 1.049 272 K CA 1.256 57.613 56.287 0.118 0.000 0.931 272 K CB -0.351 32.294 32.500 0.241 0.000 0.714 272 K HN 0.211 nan 8.250 nan 0.000 0.440 273 L N 1.424 122.556 121.223 -0.151 0.000 2.042 273 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 273 L C 2.709 179.266 176.870 -0.521 0.000 1.076 273 L CA 1.310 55.994 54.840 -0.260 0.000 0.749 273 L CB -0.422 41.635 42.059 -0.004 0.000 0.893 273 L HN 0.206 nan 8.230 nan 0.000 0.432 274 K N 0.587 120.464 120.400 -0.870 0.000 2.074 274 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 274 K C 2.074 178.348 176.600 -0.543 0.000 1.048 274 K CA 1.434 56.944 56.287 -1.295 0.000 0.926 274 K CB -0.104 31.808 32.500 -0.982 0.000 0.713 274 K HN 0.271 nan 8.250 nan 0.000 0.444 275 L N 0.031 121.075 121.223 -0.298 0.000 2.156 275 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 275 L C 1.816 178.578 176.870 -0.180 0.000 1.095 275 L CA 0.967 55.732 54.840 -0.126 0.000 0.770 275 L CB -0.130 41.989 42.059 0.100 0.000 0.914 275 L HN 0.085 nan 8.230 nan 0.000 0.439 276 R N -1.464 118.842 120.500 -0.324 0.000 2.552 276 R HA 0.054 4.394 4.340 -0.000 0.000 0.314 276 R C 1.558 177.676 176.300 -0.303 0.000 1.041 276 R CA -0.158 55.712 56.100 -0.383 0.000 1.076 276 R CB -0.113 29.819 30.300 -0.613 0.000 1.290 276 R HN 0.340 nan 8.270 nan 0.000 0.563 277 H N 1.958 120.861 119.070 -0.278 0.000 2.265 277 H HA -0.194 4.362 4.556 -0.000 0.000 0.295 277 H C 1.530 176.811 175.328 -0.079 0.000 1.084 277 H CA 1.990 57.965 56.048 -0.121 0.000 1.261 277 H CB 0.484 30.258 29.762 0.020 0.000 1.360 277 H HN -0.042 nan 8.280 nan 0.000 0.487 278 K N 0.450 120.849 120.400 -0.003 0.000 2.059 278 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 278 K C 2.306 178.840 176.600 -0.111 0.000 1.050 278 K CA 2.296 58.561 56.287 -0.036 0.000 0.927 278 K CB -0.070 32.437 32.500 0.012 0.000 0.714 278 K HN 0.581 nan 8.250 nan 0.000 0.447 279 E N -1.083 119.055 120.200 -0.105 0.000 2.230 279 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 279 E C 1.899 178.433 176.600 -0.110 0.000 0.987 279 E CA 1.062 57.410 56.400 -0.088 0.000 0.841 279 E CB -0.480 29.173 29.700 -0.079 0.000 0.783 279 E HN 0.567 nan 8.360 nan 0.000 0.481 280 H N 0.888 119.724 119.070 -0.390 0.000 2.270 280 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 280 H C 2.208 177.040 175.328 -0.827 0.000 1.077 280 H CA 1.123 56.757 56.048 -0.691 0.000 1.294 280 H CB 0.127 29.387 29.762 -0.836 0.000 1.371 280 H HN 0.055 nan 8.280 nan 0.000 0.491 281 I N 1.385 121.625 120.570 -0.551 0.000 2.121 281 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 281 I C 2.797 178.838 176.117 -0.127 0.000 1.047 281 I CA 1.447 62.557 61.300 -0.316 0.000 1.308 281 I CB -1.493 36.347 38.000 -0.266 0.000 1.015 281 I HN 0.243 nan 8.210 nan 0.000 0.410 282 A N -0.118 122.635 122.820 -0.113 0.000 2.076 282 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 282 A C 2.108 179.689 177.584 -0.006 0.000 1.160 282 A CA 1.912 53.925 52.037 -0.041 0.000 0.653 282 A CB -0.582 18.393 19.000 -0.040 0.000 0.801 282 A HN 0.491 nan 8.150 nan 0.000 0.455 283 A N -2.965 119.848 122.820 -0.012 0.000 2.538 283 A HA 0.453 4.773 4.320 -0.000 0.000 0.269 283 A C 0.936 178.669 177.584 0.248 0.000 1.231 283 A CA -0.289 51.788 52.037 0.067 0.000 0.948 283 A CB -0.146 18.856 19.000 0.004 0.000 1.110 283 A HN 0.549 nan 8.150 nan 0.000 0.529 284 Y N 0.489 120.772 120.300 -0.028 0.000 2.493 284 Y HA 0.366 4.916 4.550 -0.000 0.000 0.275 284 Y C 1.204 177.100 175.900 -0.006 0.000 1.183 284 Y CA 0.185 58.274 58.100 -0.018 0.000 1.258 284 Y CB 0.476 38.937 38.460 0.000 0.000 1.108 284 Y HN 0.499 nan 8.280 nan 0.000 0.521 285 G N 1.977 110.856 108.800 0.131 0.000 2.906 285 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 285 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 285 G C -0.913 174.033 174.900 0.076 0.000 1.170 285 G CA -0.979 44.165 45.100 0.073 0.000 0.775 285 G HN 0.283 nan 8.290 nan 0.000 0.630 286 E N 0.952 121.190 120.200 0.064 0.000 2.343 286 E HA 0.566 4.916 4.350 -0.000 0.000 0.269 286 E C 1.201 177.837 176.600 0.059 0.000 1.047 286 E CA -0.162 56.273 56.400 0.060 0.000 0.874 286 E CB 1.553 31.285 29.700 0.053 0.000 1.033 286 E HN 2.395 nan 8.360 nan 0.000 0.409 287 G N 2.952 111.786 108.800 0.057 0.000 2.195 287 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.246 287 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.246 287 G C 0.783 175.721 174.900 0.064 0.000 0.984 287 G CA 0.364 45.498 45.100 0.057 0.000 0.633 287 G HN 0.745 nan 8.290 nan 0.000 0.525 288 N N 0.552 119.295 118.700 0.072 0.000 2.258 288 N HA -0.130 4.610 4.740 -0.000 0.000 0.187 288 N C 1.959 177.520 175.510 0.084 0.000 1.012 288 N CA 1.625 54.725 53.050 0.084 0.000 0.870 288 N CB -0.076 38.473 38.487 0.103 0.000 0.977 288 N HN 0.680 nan 8.380 nan 0.000 0.434 289 E N 0.384 120.628 120.200 0.075 0.000 2.209 289 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 289 E C 1.580 178.224 176.600 0.074 0.000 0.993 289 E CA 0.973 57.416 56.400 0.073 0.000 0.819 289 E CB -0.062 29.676 29.700 0.063 0.000 0.745 289 E HN 0.397 nan 8.360 nan 0.000 0.477 290 R N 0.048 120.592 120.500 0.072 0.000 2.200 290 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 290 R C 2.292 178.643 176.300 0.085 0.000 1.033 290 R CA 0.798 56.942 56.100 0.075 0.000 1.000 290 R CB -0.035 30.305 30.300 0.067 0.000 0.906 290 R HN 0.081 nan 8.270 nan 0.000 0.462 291 R N 0.919 121.470 120.500 0.086 0.000 2.064 291 R HA 0.100 4.440 4.340 -0.000 0.000 0.221 291 R C 0.281 176.647 176.300 0.110 0.000 1.136 291 R CA 0.465 56.622 56.100 0.096 0.000 0.980 291 R CB 0.141 30.494 30.300 0.089 0.000 0.876 291 R HN 0.037 nan 8.270 nan 0.000 0.437 292 L N 2.824 124.111 121.223 0.106 0.000 2.401 292 L HA 0.162 4.502 4.340 -0.000 0.000 0.283 292 L C 0.412 177.338 176.870 0.094 0.000 1.151 292 L CA -0.149 54.755 54.840 0.107 0.000 0.942 292 L CB 1.193 43.324 42.059 0.121 0.000 1.283 292 L HN 0.422 nan 8.230 nan 0.000 0.442 293 T N -3.424 111.182 114.554 0.087 0.000 3.004 293 T HA 0.266 4.616 4.350 -0.000 0.000 0.266 293 T C 1.320 176.044 174.700 0.039 0.000 0.986 293 T CA 0.366 62.508 62.100 0.069 0.000 0.902 293 T CB 1.032 69.951 68.868 0.085 0.000 1.118 293 T HN 0.652 nan 8.240 nan 0.000 0.522 294 G N 1.687 110.507 108.800 0.034 0.000 2.268 294 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 294 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 294 G C 0.270 175.151 174.900 -0.031 0.000 1.010 294 G CA -0.018 45.083 45.100 0.002 0.000 0.618 294 G HN 0.692 nan 8.290 nan 0.000 0.516 295 R N -0.638 119.834 120.500 -0.047 0.000 2.608 295 R HA 0.592 4.932 4.340 -0.000 0.000 0.255 295 R C 0.833 177.076 176.300 -0.095 0.000 1.086 295 R CA -0.422 55.575 56.100 -0.172 0.000 1.125 295 R CB 0.224 30.324 30.300 -0.334 0.000 1.193 295 R HN 0.400 nan 8.270 nan 0.000 0.553 296 H N 1.283 120.350 119.070 -0.005 0.000 2.713 296 H HA -0.166 4.390 4.556 -0.000 0.000 0.311 296 H C -0.691 174.647 175.328 0.017 0.000 1.175 296 H CA 1.145 57.196 56.048 0.005 0.000 1.143 296 H CB -1.657 28.121 29.762 0.027 0.000 1.434 296 H HN 0.840 nan 8.280 nan 0.000 0.418 297 E N -1.664 118.571 120.200 0.058 0.000 2.416 297 E HA -0.187 4.163 4.350 -0.000 0.000 0.249 297 E C 0.162 176.801 176.600 0.065 0.000 1.124 297 E CA 0.965 57.391 56.400 0.044 0.000 0.732 297 E CB -1.438 28.291 29.700 0.048 0.000 1.286 297 E HN 0.770 nan 8.360 nan 0.000 0.394 298 T N -3.189 111.400 114.554 0.059 0.000 2.916 298 T HA 0.784 5.134 4.350 -0.000 0.000 0.292 298 T C -0.164 174.555 174.700 0.031 0.000 1.064 298 T CA -0.453 61.685 62.100 0.064 0.000 1.011 298 T CB 2.364 71.290 68.868 0.098 0.000 1.152 298 T HN 0.380 nan 8.240 nan 0.000 0.510 299 A N 1.073 123.913 122.820 0.032 0.000 2.312 299 A HA 0.627 4.947 4.320 -0.000 0.000 0.326 299 A C -0.062 177.552 177.584 0.049 0.000 1.172 299 A CA -0.703 51.343 52.037 0.015 0.000 0.821 299 A CB 0.407 19.396 19.000 -0.018 0.000 1.166 299 A HN 1.022 nan 8.150 nan 0.000 0.493 300 D N 1.330 121.753 120.400 0.038 0.000 2.525 300 D HA 0.052 4.692 4.640 -0.000 0.000 0.235 300 D C 1.222 177.584 176.300 0.103 0.000 1.137 300 D CA 0.332 54.368 54.000 0.059 0.000 0.868 300 D CB 0.220 41.043 40.800 0.037 0.000 1.180 300 D HN 0.387 nan 8.370 nan 0.000 0.465 301 I N 2.087 122.734 120.570 0.128 0.000 2.248 301 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 301 I C 1.755 178.033 176.117 0.269 0.000 1.107 301 I CA 1.008 62.423 61.300 0.191 0.000 1.373 301 I CB -0.534 37.550 38.000 0.139 0.000 1.055 301 I HN 0.383 nan 8.210 nan 0.000 0.418 302 N N 0.581 119.374 118.700 0.154 0.000 2.300 302 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 302 N C 1.141 176.677 175.510 0.044 0.000 1.016 302 N CA 1.386 54.510 53.050 0.123 0.000 0.876 302 N CB -0.304 38.228 38.487 0.075 0.000 0.979 302 N HN 0.566 nan 8.380 nan 0.000 0.432 303 T N -1.754 112.802 114.554 0.003 0.000 2.918 303 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 303 T C -0.404 174.184 174.700 -0.186 0.000 1.001 303 T CA -0.769 61.296 62.100 -0.059 0.000 1.041 303 T CB 1.423 70.279 68.868 -0.020 0.000 1.028 303 T HN 0.039 nan 8.240 nan 0.000 0.511 304 F N 1.827 121.567 119.950 -0.350 0.000 2.495 304 F HA 0.630 5.157 4.527 -0.000 0.000 0.327 304 F C -0.268 175.494 175.800 -0.063 0.000 1.103 304 F CA -0.265 57.560 58.000 -0.293 0.000 0.949 304 F CB 1.708 40.492 39.000 -0.360 0.000 1.142 304 F HN 1.025 nan 8.300 nan 0.000 0.457 305 S N 5.331 120.811 115.700 -0.367 0.000 2.607 305 S HA 0.691 5.161 4.470 -0.000 0.000 0.273 305 S C -1.583 172.931 174.600 -0.143 0.000 1.148 305 S CA -0.861 57.282 58.200 -0.094 0.000 0.833 305 S CB 2.098 65.248 63.200 -0.084 0.000 1.130 305 S HN 0.997 nan 8.310 nan 0.000 0.470 306 W N 0.108 121.344 121.300 -0.107 0.000 3.042 306 W HA 0.833 5.493 4.660 -0.000 0.000 0.342 306 W C -0.619 175.888 176.519 -0.019 0.000 1.240 306 W CA -0.799 56.500 57.345 -0.077 0.000 1.166 306 W CB 0.946 30.405 29.460 -0.002 0.000 1.469 306 W HN 1.386 nan 8.180 nan 0.000 0.579 307 G N -0.407 108.410 108.800 0.028 0.000 2.356 307 G HA2 0.379 4.339 3.960 -0.000 0.000 0.294 307 G HA3 0.379 4.339 3.960 -0.000 0.000 0.294 307 G C -1.099 173.848 174.900 0.078 0.000 1.423 307 G CA -0.285 44.701 45.100 -0.190 0.000 0.806 307 G HN 0.488 nan 8.290 nan 0.000 0.527 308 V N 0.638 120.565 119.914 0.021 0.000 2.251 308 V HA 0.276 4.396 4.120 -0.000 0.000 0.237 308 V C 2.553 178.684 176.094 0.063 0.000 1.040 308 V CA 2.222 64.580 62.300 0.096 0.000 1.005 308 V CB -0.347 31.522 31.823 0.077 0.000 0.645 308 V HN 1.249 nan 8.190 nan 0.000 0.458 309 A N 0.618 123.451 122.820 0.022 0.000 2.797 309 A HA 0.271 4.591 4.320 -0.000 0.000 0.287 309 A C 0.444 178.031 177.584 0.006 0.000 1.369 309 A CA -0.057 51.991 52.037 0.018 0.000 0.968 309 A CB -0.848 18.157 19.000 0.007 0.000 1.069 309 A HN 0.439 nan 8.150 nan 0.000 0.571 310 N N 0.634 119.339 118.700 0.008 0.000 2.500 310 N HA 0.203 4.943 4.740 -0.000 0.000 0.236 310 N C 0.693 176.195 175.510 -0.013 0.000 1.022 310 N CA -0.242 52.799 53.050 -0.015 0.000 0.935 310 N CB 0.387 38.850 38.487 -0.040 0.000 1.147 310 N HN 0.340 nan 8.380 nan 0.000 0.512 311 R N 1.520 122.008 120.500 -0.020 0.000 2.313 311 R HA 0.103 4.443 4.340 -0.000 0.000 0.199 311 R C 1.355 177.639 176.300 -0.026 0.000 0.958 311 R CA 0.435 56.521 56.100 -0.023 0.000 1.047 311 R CB 0.304 30.593 30.300 -0.017 0.000 0.955 311 R HN 0.501 nan 8.270 nan 0.000 0.481 312 G N 0.079 108.858 108.800 -0.034 0.000 2.880 312 G HA2 0.118 4.078 3.960 -0.000 0.000 0.209 312 G HA3 0.118 4.078 3.960 -0.000 0.000 0.209 312 G C 0.310 175.184 174.900 -0.043 0.000 1.157 312 G CA 0.072 45.150 45.100 -0.037 0.000 0.779 312 G HN 0.268 nan 8.290 nan 0.000 0.539 313 A N -0.160 122.631 122.820 -0.047 0.000 2.282 313 A HA 0.649 4.969 4.320 -0.000 0.000 0.319 313 A C 1.551 179.085 177.584 -0.084 0.000 1.121 313 A CA 0.133 52.130 52.037 -0.068 0.000 0.836 313 A CB 1.014 19.987 19.000 -0.045 0.000 1.146 313 A HN 0.096 nan 8.150 nan 0.000 0.494 314 S N -0.601 114.991 115.700 -0.180 0.000 2.368 314 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 314 S C 0.658 175.185 174.600 -0.123 0.000 1.030 314 S CA 1.332 59.405 58.200 -0.213 0.000 0.999 314 S CB -0.188 62.682 63.200 -0.550 0.000 0.844 314 S HN 0.540 nan 8.310 nan 0.000 0.459 315 V N 1.196 121.047 119.914 -0.104 0.000 2.735 315 V HA 0.556 4.675 4.120 -0.000 0.000 0.310 315 V C -0.268 175.941 176.094 0.190 0.000 1.061 315 V CA -1.003 61.363 62.300 0.111 0.000 0.913 315 V CB 2.045 33.969 31.823 0.168 0.000 1.005 315 V HN 0.285 nan 8.190 nan 0.000 0.428 316 R N 2.745 123.379 120.500 0.222 0.000 2.686 316 R HA 0.845 5.185 4.340 -0.000 0.000 0.283 316 R C -2.200 174.257 176.300 0.263 0.000 0.978 316 R CA -0.453 55.772 56.100 0.209 0.000 0.897 316 R CB 2.302 32.666 30.300 0.107 0.000 1.192 316 R HN 0.474 nan 8.270 nan 0.000 0.457 317 V N 2.939 123.004 119.914 0.250 0.000 2.448 317 V HA 0.482 4.601 4.120 -0.000 0.000 0.295 317 V C 0.672 176.801 176.094 0.058 0.000 1.025 317 V CA -0.642 61.769 62.300 0.186 0.000 0.859 317 V CB 1.613 33.607 31.823 0.285 0.000 0.988 317 V HN 0.974 nan 8.190 nan 0.000 0.431 318 G N 3.305 112.063 108.800 -0.070 0.000 2.432 318 G HA2 0.154 4.114 3.960 -0.000 0.000 0.239 318 G HA3 0.154 4.114 3.960 -0.000 0.000 0.239 318 G C 0.911 175.762 174.900 -0.082 0.000 1.291 318 G CA -0.319 44.731 45.100 -0.082 0.000 0.863 318 G HN 0.635 nan 8.290 nan 0.000 0.560 319 R N 0.778 121.253 120.500 -0.041 0.000 2.113 319 R HA -0.128 4.211 4.340 -0.000 0.000 0.244 319 R C 2.226 178.480 176.300 -0.078 0.000 1.142 319 R CA 1.572 57.645 56.100 -0.046 0.000 0.953 319 R CB -0.686 29.603 30.300 -0.018 0.000 0.860 319 R HN 0.846 nan 8.270 nan 0.000 0.438 320 E N -0.121 120.040 120.200 -0.066 0.000 2.049 320 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 320 E C 1.791 178.319 176.600 -0.120 0.000 1.007 320 E CA 2.278 58.638 56.400 -0.066 0.000 0.809 320 E CB -0.018 29.666 29.700 -0.027 0.000 0.749 320 E HN 0.489 nan 8.360 nan 0.000 0.450 321 T N -1.451 112.986 114.554 -0.194 0.000 2.995 321 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 321 T C 1.722 176.197 174.700 -0.375 0.000 1.091 321 T CA 1.271 63.222 62.100 -0.248 0.000 1.128 321 T CB 0.063 68.744 68.868 -0.311 0.000 0.891 321 T HN 0.219 nan 8.240 nan 0.000 0.492 322 E N 0.869 120.828 120.200 -0.402 0.000 2.015 322 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 322 E C 2.385 178.780 176.600 -0.342 0.000 0.991 322 E CA 1.025 57.074 56.400 -0.584 0.000 0.802 322 E CB -0.374 29.146 29.700 -0.300 0.000 0.759 322 E HN 0.663 nan 8.360 nan 0.000 0.447 323 Q N 0.048 119.741 119.800 -0.178 0.000 2.248 323 Q HA -0.152 4.187 4.340 -0.000 0.000 0.208 323 Q C 0.853 176.805 176.000 -0.080 0.000 0.984 323 Q CA 1.615 57.362 55.803 -0.094 0.000 0.875 323 Q CB -0.068 28.635 28.738 -0.059 0.000 0.910 323 Q HN 0.390 nan 8.270 nan 0.000 0.433 324 N N -1.607 117.029 118.700 -0.106 0.000 2.203 324 N HA 0.125 4.865 4.740 -0.000 0.000 0.207 324 N C 0.513 175.982 175.510 -0.068 0.000 1.130 324 N CA 0.246 53.257 53.050 -0.066 0.000 0.861 324 N CB 0.894 39.352 38.487 -0.048 0.000 1.005 324 N HN 0.286 nan 8.380 nan 0.000 0.507 325 G N 2.322 111.047 108.800 -0.125 0.000 2.225 325 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.272 325 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.272 325 G C -0.027 174.879 174.900 0.010 0.000 0.996 325 G CA 1.359 46.429 45.100 -0.050 0.000 0.710 325 G HN 0.548 nan 8.290 nan 0.000 0.522 326 K N -2.400 117.967 120.400 -0.054 0.000 2.546 326 K HA 0.773 5.093 4.320 -0.000 0.000 0.264 326 K C 0.275 176.852 176.600 -0.040 0.000 0.937 326 K CA -0.510 55.771 56.287 -0.011 0.000 0.833 326 K CB 1.818 34.320 32.500 0.002 0.000 1.378 326 K HN 1.267 nan 8.250 nan 0.000 0.432 327 G N 1.010 109.807 108.800 -0.005 0.000 2.520 327 G HA2 0.184 4.143 3.960 -0.000 0.000 0.067 327 G HA3 0.184 4.143 3.960 -0.000 0.000 0.067 327 G C -1.915 173.050 174.900 0.109 0.000 0.977 327 G CA 0.008 45.120 45.100 0.020 0.000 1.152 327 G HN 0.917 nan 8.290 nan 0.000 0.479 328 Y N -0.446 119.900 120.300 0.076 0.000 2.655 328 Y HA 0.850 5.400 4.550 -0.000 0.000 0.336 328 Y C -0.750 175.276 175.900 0.210 0.000 1.154 328 Y CA -2.040 56.104 58.100 0.072 0.000 1.055 328 Y CB 1.055 39.519 38.460 0.005 0.000 1.295 328 Y HN 1.055 nan 8.280 nan 0.000 0.465 329 F N -1.000 119.134 119.950 0.306 0.000 2.631 329 F HA 0.726 5.252 4.527 -0.000 0.000 0.328 329 F C -0.817 175.215 175.800 0.387 0.000 1.067 329 F CA -1.355 56.792 58.000 0.246 0.000 0.969 329 F CB 2.086 41.190 39.000 0.174 0.000 1.332 329 F HN 0.675 nan 8.300 nan 0.000 0.490 330 E N 1.516 121.977 120.200 0.435 0.000 2.092 330 E HA 0.112 4.462 4.350 -0.000 0.000 0.271 330 E C -1.574 175.218 176.600 0.320 0.000 0.919 330 E CA -0.679 55.895 56.400 0.290 0.000 0.760 330 E CB 0.859 30.692 29.700 0.221 0.000 1.106 330 E HN 0.671 nan 8.360 nan 0.000 0.408 331 D N 4.260 124.827 120.400 0.278 0.000 2.352 331 D HA 0.060 4.700 4.640 -0.000 0.000 0.245 331 D C 0.528 176.916 176.300 0.148 0.000 1.224 331 D CA -0.016 54.157 54.000 0.288 0.000 0.879 331 D CB 0.527 41.537 40.800 0.349 0.000 1.057 331 D HN 0.460 nan 8.370 nan 0.000 0.491 332 R N 2.828 123.362 120.500 0.057 0.000 2.313 332 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 332 R C 1.528 177.900 176.300 0.121 0.000 0.958 332 R CA 0.136 56.188 56.100 -0.079 0.000 1.047 332 R CB 0.507 30.660 30.300 -0.245 0.000 0.955 332 R HN 0.295 nan 8.270 nan 0.000 0.481 333 R N 0.626 121.245 120.500 0.198 0.000 2.127 333 R HA 0.044 4.384 4.340 -0.000 0.000 0.217 333 R C -1.694 174.743 176.300 0.228 0.000 1.074 333 R CA 0.085 56.353 56.100 0.280 0.000 0.991 333 R CB -0.895 29.678 30.300 0.454 0.000 0.895 333 R HN 0.124 nan 8.270 nan 0.000 0.450 334 P HA 0.035 nan 4.420 nan 0.000 0.271 334 P C -0.777 176.491 177.300 -0.053 0.000 1.220 334 P CA 0.169 63.118 63.100 -0.250 0.000 0.768 334 P CB 1.138 32.500 31.700 -0.563 0.000 0.848 335 A N 3.108 125.920 122.820 -0.013 0.000 2.406 335 A HA 0.199 4.518 4.320 -0.000 0.000 0.243 335 A C 1.642 179.195 177.584 -0.052 0.000 1.082 335 A CA 0.381 52.420 52.037 0.004 0.000 0.786 335 A CB -0.350 18.672 19.000 0.037 0.000 1.029 335 A HN 0.602 nan 8.150 nan 0.000 0.495 336 S N 0.705 116.392 115.700 -0.022 0.000 2.440 336 S HA -0.197 4.273 4.470 -0.000 0.000 0.238 336 S C 0.995 175.569 174.600 -0.043 0.000 1.010 336 S CA 1.356 59.548 58.200 -0.014 0.000 0.972 336 S CB -0.548 62.711 63.200 0.097 0.000 0.774 336 S HN 0.926 nan 8.310 nan 0.000 0.501 337 N N 1.254 119.944 118.700 -0.015 0.000 2.268 337 N HA 0.114 4.854 4.740 -0.000 0.000 0.204 337 N C 0.499 175.946 175.510 -0.106 0.000 1.124 337 N CA -0.265 52.754 53.050 -0.051 0.000 0.838 337 N CB -0.509 38.012 38.487 0.057 0.000 0.994 337 N HN 0.461 nan 8.380 nan 0.000 0.489 338 M N 1.162 120.675 119.600 -0.146 0.000 2.235 338 M HA -0.045 4.435 4.480 -0.000 0.000 0.336 338 M C -0.657 175.502 176.300 -0.235 0.000 1.146 338 M CA 0.637 55.837 55.300 -0.167 0.000 1.018 338 M CB 0.341 32.801 32.600 -0.234 0.000 1.694 338 M HN 0.052 nan 8.290 nan 0.000 0.451 339 D N 7.349 127.691 120.400 -0.097 0.000 2.339 339 D HA 0.263 4.903 4.640 -0.000 0.000 0.241 339 D C -1.810 174.408 176.300 -0.137 0.000 1.183 339 D CA -1.887 52.101 54.000 -0.021 0.000 0.859 339 D CB 1.099 42.038 40.800 0.232 0.000 1.067 339 D HN 0.393 nan 8.370 nan 0.000 0.484 340 P HA -0.178 nan 4.420 nan 0.000 0.220 340 P C 1.041 178.252 177.300 -0.148 0.000 1.148 340 P CA 0.863 63.743 63.100 -0.366 0.000 0.803 340 P CB 0.139 31.504 31.700 -0.559 0.000 0.782 341 Y N 0.318 120.679 120.300 0.101 0.000 2.128 341 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 341 Y C 2.705 178.657 175.900 0.087 0.000 1.154 341 Y CA 0.634 58.821 58.100 0.144 0.000 1.149 341 Y CB -1.871 36.721 38.460 0.219 0.000 0.976 341 Y HN -0.228 nan 8.280 nan 0.000 0.505 342 V N -0.958 119.095 119.914 0.231 0.000 2.237 342 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 342 V C 2.366 178.486 176.094 0.044 0.000 1.046 342 V CA 1.767 64.138 62.300 0.118 0.000 1.007 342 V CB -1.048 30.838 31.823 0.105 0.000 0.638 342 V HN 0.232 nan 8.190 nan 0.000 0.445 343 V N -0.681 119.227 119.914 -0.009 0.000 2.343 343 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 343 V C 2.625 178.680 176.094 -0.065 0.000 1.051 343 V CA 2.670 64.934 62.300 -0.060 0.000 1.036 343 V CB -0.811 30.860 31.823 -0.253 0.000 0.654 343 V HN 0.627 nan 8.190 nan 0.000 0.451 344 T N -0.098 114.378 114.554 -0.129 0.000 2.708 344 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 344 T C 2.145 176.875 174.700 0.051 0.000 1.037 344 T CA 2.147 64.067 62.100 -0.300 0.000 1.146 344 T CB -0.210 68.330 68.868 -0.546 0.000 0.865 344 T HN 0.757 nan 8.240 nan 0.000 0.435 345 S N 0.513 116.267 115.700 0.090 0.000 2.377 345 S HA -0.002 4.468 4.470 -0.000 0.000 0.223 345 S C 2.208 176.749 174.600 -0.099 0.000 1.030 345 S CA 1.108 59.227 58.200 -0.134 0.000 0.970 345 S CB -0.625 62.467 63.200 -0.180 0.000 0.830 345 S HN 0.511 nan 8.310 nan 0.000 0.473 346 M N 1.143 120.706 119.600 -0.062 0.000 2.202 346 M HA -0.014 4.466 4.480 -0.000 0.000 0.262 346 M C 1.861 178.153 176.300 -0.014 0.000 1.063 346 M CA 1.567 56.807 55.300 -0.100 0.000 1.097 346 M CB -0.390 32.072 32.600 -0.230 0.000 1.382 346 M HN 0.374 nan 8.290 nan 0.000 0.413 347 I N -0.174 120.426 120.570 0.051 0.000 2.202 347 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 347 I C 2.580 178.719 176.117 0.037 0.000 1.091 347 I CA 1.116 62.481 61.300 0.107 0.000 1.368 347 I CB -0.642 37.346 38.000 -0.020 0.000 1.058 347 I HN 0.374 nan 8.210 nan 0.000 0.410 348 A N 0.092 122.963 122.820 0.084 0.000 1.908 348 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 348 A C 2.329 179.990 177.584 0.128 0.000 1.181 348 A CA 1.808 53.953 52.037 0.179 0.000 0.627 348 A CB -0.588 18.515 19.000 0.172 0.000 0.818 348 A HN 0.450 nan 8.150 nan 0.000 0.445 349 E N -0.943 119.291 120.200 0.057 0.000 2.047 349 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 349 E C 1.785 178.475 176.600 0.149 0.000 0.987 349 E CA 1.520 57.962 56.400 0.070 0.000 0.799 349 E CB -0.103 29.602 29.700 0.010 0.000 0.752 349 E HN 0.526 nan 8.360 nan 0.000 0.449 350 T N -0.331 114.309 114.554 0.144 0.000 3.007 350 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 350 T C 1.527 176.384 174.700 0.262 0.000 1.107 350 T CA 1.273 63.458 62.100 0.142 0.000 1.118 350 T CB -0.015 68.899 68.868 0.077 0.000 0.889 350 T HN 0.092 nan 8.240 nan 0.000 0.506 351 T N 0.048 114.750 114.554 0.246 0.000 3.000 351 T HA 0.389 4.739 4.350 -0.000 0.000 0.248 351 T C 1.515 176.364 174.700 0.249 0.000 1.034 351 T CA 0.023 62.288 62.100 0.276 0.000 1.060 351 T CB 0.271 69.351 68.868 0.354 0.000 0.983 351 T HN 0.231 nan 8.240 nan 0.000 0.482 352 I N -0.498 120.206 120.570 0.224 0.000 3.523 352 I HA 0.097 4.267 4.170 -0.000 0.000 0.244 352 I C 2.149 178.354 176.117 0.146 0.000 1.110 352 I CA 0.248 61.651 61.300 0.171 0.000 1.517 352 I CB -0.093 38.006 38.000 0.165 0.000 1.505 352 I HN -0.078 nan 8.210 nan 0.000 0.460 353 V N 0.395 120.400 119.914 0.152 0.000 2.220 353 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 353 V C 0.841 177.040 176.094 0.176 0.000 1.049 353 V CA 1.361 63.744 62.300 0.137 0.000 1.003 353 V CB -0.524 31.370 31.823 0.119 0.000 0.634 353 V HN 0.495 nan 8.190 nan 0.000 0.444 354 W N 1.754 123.070 121.300 0.026 0.000 2.210 354 W HA 0.351 5.011 4.660 -0.000 0.000 0.330 354 W C 0.409 176.934 176.519 0.010 0.000 1.334 354 W CA 0.191 57.546 57.345 0.018 0.000 1.227 354 W CB 0.251 29.724 29.460 0.022 0.000 1.178 354 W HN 0.015 nan 8.180 nan 0.000 0.560 355 K N 0.000 120.004 120.400 -0.659 0.000 2.780 355 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 355 K CA 0.000 55.844 56.287 -0.738 0.000 0.838 355 K CB 0.000 32.291 32.500 -0.349 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543