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 1xea_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLKIAXIGLG DIAQKAYLPV LAQWPDIELV LCTRNPKVLG TLATRYRVSA DATA SEQUENCE TCTDYRDVLQ YGVDAVXIHA ATDVHSTLAA FFLHLGIPTF VDKPLAASAQ DATA SEQUENCE ECENLYELAE KHHQPLYVGF NRRHIPLYNQ HLSELAQQEC GALRSLRWEK DATA SEQUENCE HRHALPGDIR TFVFDDFIHP LDSVNLSRQC NLDDLHLTYH XSEGLLARLD DATA SEQUENCE VQWQTGDTLL HASXNRQFGI TTEHVTASYD NVAYLFDSFT QGKXWRDNQE DATA SEQUENCE SRVALKDWTP XLASKGFDAX VQDWLQVAAA GKLPTHIIER NLASHQLAEA DATA SEQUENCE ICQQITQQVT K 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.578 174.600 -0.037 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 2 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3 L N 2.312 123.505 121.223 -0.050 0.000 2.415 3 L HA 0.668 5.008 4.340 -0.000 0.000 0.256 3 L C -0.878 175.952 176.870 -0.067 0.000 1.010 3 L CA -0.849 53.939 54.840 -0.086 0.000 0.826 3 L CB 2.461 44.420 42.059 -0.167 0.000 1.405 3 L HN 0.697 nan 8.230 nan 0.000 0.410 4 K N 2.180 122.542 120.400 -0.065 0.000 2.545 4 K HA 0.641 4.961 4.320 -0.000 0.000 0.252 4 K C -1.696 174.872 176.600 -0.053 0.000 0.948 4 K CA -0.477 55.788 56.287 -0.038 0.000 0.827 4 K CB 1.392 33.895 32.500 0.005 0.000 1.128 4 K HN 0.351 nan 8.250 nan 0.000 0.429 5 I N 3.136 123.668 120.570 -0.064 0.000 2.530 5 I HA 0.490 4.660 4.170 -0.000 0.000 0.297 5 I C 0.096 176.178 176.117 -0.060 0.000 1.011 5 I CA -0.437 60.828 61.300 -0.059 0.000 1.107 5 I CB 1.902 39.864 38.000 -0.062 0.000 1.285 5 I HN 0.692 nan 8.210 nan 0.000 0.436 9 G N 5.402 114.180 108.800 -0.038 0.000 3.110 9 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.506 9 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.506 9 G C -0.842 174.077 174.900 0.032 0.000 1.077 9 G CA -0.829 44.267 45.100 -0.006 0.000 0.960 9 G HN 0.645 nan 8.290 nan 0.000 0.434 10 L N 3.060 124.292 121.223 0.014 0.000 2.475 10 L HA 0.523 4.862 4.340 -0.000 0.000 0.253 10 L C 1.526 178.400 176.870 0.007 0.000 1.137 10 L CA -0.006 54.838 54.840 0.007 0.000 1.058 10 L CB 0.324 42.368 42.059 -0.025 0.000 1.382 10 L HN 0.656 nan 8.230 nan 0.000 0.416 11 G N 0.120 108.932 108.800 0.021 0.000 2.783 11 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.182 11 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.182 11 G C 0.380 175.287 174.900 0.012 0.000 1.516 11 G CA 0.076 45.188 45.100 0.019 0.000 1.079 11 G HN 0.487 nan 8.290 nan 0.000 0.573 12 D N -1.460 118.951 120.400 0.019 0.000 2.137 12 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 12 D C 2.275 178.576 176.300 0.001 0.000 0.970 12 D CA 0.381 54.389 54.000 0.014 0.000 0.837 12 D CB -0.013 40.801 40.800 0.023 0.000 0.981 12 D HN 0.120 nan 8.370 nan 0.000 0.475 13 I N 0.607 121.189 120.570 0.019 0.000 2.202 13 I HA -0.041 4.129 4.170 -0.000 0.000 0.242 13 I C 2.053 178.164 176.117 -0.010 0.000 1.091 13 I CA 1.330 62.641 61.300 0.018 0.000 1.368 13 I CB -0.644 37.431 38.000 0.125 0.000 1.058 13 I HN 0.070 nan 8.210 nan 0.000 0.410 14 A N -0.533 122.253 122.820 -0.056 0.000 1.940 14 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 14 A C 2.273 179.813 177.584 -0.073 0.000 1.176 14 A CA 2.010 53.964 52.037 -0.139 0.000 0.631 14 A CB -0.696 18.235 19.000 -0.115 0.000 0.814 14 A HN 0.642 nan 8.150 nan 0.000 0.446 15 Q N -1.052 118.720 119.800 -0.047 0.000 2.187 15 Q HA -0.017 4.323 4.340 -0.000 0.000 0.199 15 Q C 1.971 177.965 176.000 -0.010 0.000 0.957 15 Q CA 1.135 56.928 55.803 -0.017 0.000 0.857 15 Q CB -0.009 28.738 28.738 0.014 0.000 0.929 15 Q HN 0.613 nan 8.270 nan 0.000 0.453 16 K N -0.636 119.727 120.400 -0.062 0.000 2.186 16 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 16 K C 1.460 177.927 176.600 -0.222 0.000 1.052 16 K CA 0.975 57.200 56.287 -0.104 0.000 0.965 16 K CB 0.312 32.749 32.500 -0.104 0.000 0.746 16 K HN 0.078 nan 8.250 nan 0.000 0.457 17 A N -0.518 122.088 122.820 -0.356 0.000 1.989 17 A HA 0.115 4.435 4.320 -0.000 0.000 0.201 17 A C 1.641 178.919 177.584 -0.511 0.000 1.720 17 A CA -0.139 51.495 52.037 -0.671 0.000 0.956 17 A CB -0.521 17.556 19.000 -1.538 0.000 1.094 17 A HN 0.088 nan 8.150 nan 0.000 0.561 18 Y N 0.657 120.756 120.300 -0.335 0.000 2.114 18 Y HA -0.098 4.452 4.550 -0.000 0.000 0.284 18 Y C 2.316 178.138 175.900 -0.130 0.000 1.143 18 Y CA 1.669 59.634 58.100 -0.225 0.000 1.135 18 Y CB -0.494 37.735 38.460 -0.385 0.000 0.980 18 Y HN 0.189 nan 8.280 nan 0.000 0.499 19 L N 0.297 121.514 121.223 -0.011 0.000 1.971 19 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 19 L C -0.273 176.654 176.870 0.095 0.000 1.072 19 L CA 1.693 56.457 54.840 -0.126 0.000 0.758 19 L CB -1.654 40.113 42.059 -0.487 0.000 0.889 19 L HN 0.201 nan 8.230 nan 0.000 0.433 20 P HA -0.165 nan 4.420 nan 0.000 0.216 20 P C 1.847 179.244 177.300 0.161 0.000 1.153 20 P CA 1.581 64.836 63.100 0.258 0.000 0.858 20 P CB -0.043 31.734 31.700 0.128 0.000 0.789 21 V N 0.146 120.123 119.914 0.104 0.000 2.343 21 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 21 V C 2.705 179.002 176.094 0.339 0.000 1.051 21 V CA 1.638 64.040 62.300 0.170 0.000 1.036 21 V CB -1.084 30.817 31.823 0.131 0.000 0.654 21 V HN 0.035 nan 8.190 nan 0.000 0.451 22 L N -0.322 121.060 121.223 0.265 0.000 2.554 22 L HA 0.105 4.445 4.340 -0.000 0.000 0.226 22 L C 2.453 179.471 176.870 0.246 0.000 1.137 22 L CA 0.682 55.684 54.840 0.270 0.000 0.863 22 L CB -0.515 41.603 42.059 0.099 0.000 0.985 22 L HN 0.315 nan 8.230 nan 0.000 0.451 23 A N 0.215 123.178 122.820 0.238 0.000 1.969 23 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 23 A C 2.204 179.899 177.584 0.185 0.000 1.169 23 A CA 1.411 53.601 52.037 0.256 0.000 0.635 23 A CB -0.206 19.055 19.000 0.436 0.000 0.810 23 A HN 0.475 nan 8.150 nan 0.000 0.445 24 Q N -1.926 117.968 119.800 0.157 0.000 2.247 24 Q HA 0.004 4.344 4.340 -0.000 0.000 0.211 24 Q C -0.394 175.643 176.000 0.062 0.000 0.861 24 Q CA -0.532 55.316 55.803 0.075 0.000 0.949 24 Q CB -0.337 28.405 28.738 0.007 0.000 1.115 24 Q HN 0.615 nan 8.270 nan 0.000 0.507 25 W N 4.674 125.986 121.300 0.021 0.000 2.251 25 W HA 0.204 4.864 4.660 -0.000 0.000 0.327 25 W C -1.806 174.713 176.519 0.001 0.000 1.361 25 W CA -1.038 56.311 57.345 0.006 0.000 1.234 25 W CB 0.652 30.113 29.460 0.001 0.000 1.212 25 W HN 0.102 nan 8.180 nan 0.000 0.557 26 P HA 0.071 nan 4.420 nan 0.000 0.279 26 P C -0.846 176.585 177.300 0.219 0.000 1.239 26 P CA 0.215 63.409 63.100 0.157 0.000 0.789 26 P CB 1.301 33.030 31.700 0.048 0.000 0.933 27 D N 0.410 120.886 120.400 0.127 0.000 2.835 27 D HA -0.150 4.490 4.640 -0.000 0.000 0.230 27 D C -0.458 175.884 176.300 0.071 0.000 1.130 27 D CA 0.960 55.013 54.000 0.089 0.000 0.738 27 D CB -1.948 38.902 40.800 0.083 0.000 1.090 27 D HN 0.438 nan 8.370 nan 0.000 0.433 28 I N 0.524 121.143 120.570 0.083 0.000 2.529 28 I HA 0.188 4.358 4.170 -0.000 0.000 0.284 28 I C -0.096 176.043 176.117 0.035 0.000 1.088 28 I CA -0.702 60.619 61.300 0.034 0.000 1.062 28 I CB 1.955 39.971 38.000 0.026 0.000 1.218 28 I HN -0.041 nan 8.210 nan 0.000 0.442 29 E N 7.342 127.548 120.200 0.011 0.000 2.191 29 E HA 0.607 4.957 4.350 -0.000 0.000 0.278 29 E C -1.416 175.179 176.600 -0.008 0.000 0.972 29 E CA -0.578 55.831 56.400 0.015 0.000 0.804 29 E CB 1.452 31.166 29.700 0.023 0.000 1.110 29 E HN 0.505 nan 8.360 nan 0.000 0.394 30 L N 3.008 124.224 121.223 -0.010 0.000 2.352 30 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 30 L C -0.541 176.281 176.870 -0.079 0.000 1.034 30 L CA -1.147 53.667 54.840 -0.043 0.000 0.806 30 L CB 1.846 43.881 42.059 -0.040 0.000 1.244 30 L HN 0.373 nan 8.230 nan 0.000 0.447 31 V N 3.161 122.999 119.914 -0.126 0.000 2.383 31 V HA 0.240 4.360 4.120 -0.000 0.000 0.261 31 V C 0.105 176.084 176.094 -0.192 0.000 0.987 31 V CA -0.430 61.732 62.300 -0.229 0.000 0.853 31 V CB 0.895 32.517 31.823 -0.335 0.000 1.095 31 V HN 0.501 nan 8.190 nan 0.000 0.461 32 L N 3.044 124.181 121.223 -0.145 0.000 2.584 32 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 32 L C 0.261 177.072 176.870 -0.099 0.000 1.195 32 L CA 0.568 55.341 54.840 -0.112 0.000 0.920 32 L CB 0.243 42.247 42.059 -0.092 0.000 1.173 32 L HN 0.680 nan 8.230 nan 0.000 0.489 33 C N 3.791 123.049 119.300 -0.071 0.000 2.482 33 C HA 0.825 5.285 4.460 -0.000 0.000 0.317 33 C C -0.141 174.844 174.990 -0.008 0.000 1.197 33 C CA -0.078 58.922 59.018 -0.030 0.000 1.432 33 C CB 1.473 29.214 27.740 0.001 0.000 2.062 33 C HN 0.923 nan 8.230 nan 0.000 0.471 34 T N 4.725 119.284 114.554 0.009 0.000 2.977 34 T HA 0.348 4.698 4.350 -0.000 0.000 0.345 34 T C 0.738 175.451 174.700 0.022 0.000 1.562 34 T CA -0.622 61.486 62.100 0.013 0.000 1.090 34 T CB 1.041 69.909 68.868 -0.000 0.000 1.383 34 T HN 0.787 nan 8.240 nan 0.000 0.484 35 R N 1.907 122.421 120.500 0.024 0.000 2.171 35 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 35 R C 1.109 177.419 176.300 0.017 0.000 1.113 35 R CA 1.030 57.144 56.100 0.024 0.000 0.887 35 R CB -1.400 28.911 30.300 0.018 0.000 0.830 35 R HN 0.708 nan 8.270 nan 0.000 0.432 36 N N 2.474 121.181 118.700 0.012 0.000 2.365 36 N HA -0.068 4.672 4.740 -0.000 0.000 0.265 36 N C -1.539 173.978 175.510 0.012 0.000 1.288 36 N CA -0.483 52.574 53.050 0.011 0.000 0.869 36 N CB 1.078 39.572 38.487 0.010 0.000 1.071 36 N HN 0.072 nan 8.380 nan 0.000 0.480 37 P HA -0.115 nan 4.420 nan 0.000 0.215 37 P C 0.767 178.076 177.300 0.015 0.000 1.157 37 P CA 1.344 64.452 63.100 0.014 0.000 0.856 37 P CB 0.438 32.146 31.700 0.014 0.000 0.786 38 K N 0.247 120.656 120.400 0.015 0.000 1.988 38 K HA -0.144 4.176 4.320 -0.000 0.000 0.221 38 K C 2.231 178.843 176.600 0.020 0.000 1.053 38 K CA 2.119 58.417 56.287 0.017 0.000 0.959 38 K CB -1.615 30.894 32.500 0.016 0.000 0.728 38 K HN -0.055 nan 8.250 nan 0.000 0.447 39 V N 1.835 121.760 119.914 0.019 0.000 2.252 39 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 39 V C 2.280 178.387 176.094 0.021 0.000 1.056 39 V CA 1.928 64.241 62.300 0.021 0.000 1.022 39 V CB -0.785 31.048 31.823 0.016 0.000 0.641 39 V HN 0.286 nan 8.190 nan 0.000 0.445 40 L N 1.573 122.804 121.223 0.013 0.000 1.965 40 L HA -0.187 4.153 4.340 -0.000 0.000 0.226 40 L C 2.442 179.323 176.870 0.018 0.000 1.083 40 L CA 2.858 57.703 54.840 0.008 0.000 0.790 40 L CB -1.546 40.517 42.059 0.006 0.000 0.898 40 L HN 0.297 nan 8.230 nan 0.000 0.439 41 G N -2.198 106.616 108.800 0.023 0.000 2.476 41 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 41 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 41 G C 1.395 176.322 174.900 0.044 0.000 1.164 41 G CA 1.531 46.650 45.100 0.031 0.000 0.768 41 G HN 0.528 nan 8.290 nan 0.000 0.560 42 T N 1.565 116.147 114.554 0.045 0.000 2.635 42 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 42 T C 2.417 177.176 174.700 0.098 0.000 1.040 42 T CA 1.386 63.521 62.100 0.059 0.000 1.156 42 T CB -0.358 68.542 68.868 0.053 0.000 0.863 42 T HN 0.195 nan 8.240 nan 0.000 0.430 43 L N 0.833 122.118 121.223 0.104 0.000 2.046 43 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 43 L C 3.113 180.091 176.870 0.181 0.000 1.077 43 L CA 1.264 56.204 54.840 0.167 0.000 0.747 43 L CB -0.784 41.286 42.059 0.018 0.000 0.896 43 L HN 0.266 nan 8.230 nan 0.000 0.432 44 A N -0.411 122.459 122.820 0.083 0.000 1.978 44 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 44 A C 2.337 179.982 177.584 0.103 0.000 1.170 44 A CA 2.337 54.418 52.037 0.073 0.000 0.636 44 A CB -0.765 18.257 19.000 0.037 0.000 0.810 44 A HN 0.441 nan 8.150 nan 0.000 0.448 45 T N -1.261 113.351 114.554 0.096 0.000 2.894 45 T HA -0.026 4.324 4.350 -0.000 0.000 0.258 45 T C 2.036 176.783 174.700 0.080 0.000 1.043 45 T CA 1.118 63.263 62.100 0.075 0.000 1.141 45 T CB -0.146 68.753 68.868 0.052 0.000 0.873 45 T HN 0.558 nan 8.240 nan 0.000 0.449 46 R N 0.138 120.704 120.500 0.111 0.000 2.081 46 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 46 R C 1.298 177.569 176.300 -0.048 0.000 1.131 46 R CA 1.516 57.633 56.100 0.029 0.000 0.960 46 R CB -0.206 30.125 30.300 0.052 0.000 0.856 46 R HN 0.402 nan 8.270 nan 0.000 0.436 47 Y N -0.029 120.277 120.300 0.010 0.000 2.457 47 Y HA 0.324 4.874 4.550 -0.000 0.000 0.263 47 Y C -0.091 175.818 175.900 0.015 0.000 1.164 47 Y CA -0.217 57.891 58.100 0.013 0.000 1.274 47 Y CB 0.256 38.725 38.460 0.016 0.000 1.097 47 Y HN -0.040 nan 8.280 nan 0.000 0.523 48 R N 0.377 120.962 120.500 0.141 0.000 3.079 48 R HA -0.119 4.221 4.340 -0.000 0.000 0.254 48 R C -1.420 174.934 176.300 0.089 0.000 0.900 48 R CA 0.193 56.346 56.100 0.089 0.000 0.641 48 R CB -1.864 28.471 30.300 0.057 0.000 1.307 48 R HN -0.007 nan 8.270 nan 0.000 0.477 49 V N 0.303 120.268 119.914 0.085 0.000 2.495 49 V HA 0.196 4.316 4.120 -0.000 0.000 0.298 49 V C 0.985 177.105 176.094 0.043 0.000 1.031 49 V CA 0.107 62.441 62.300 0.057 0.000 0.871 49 V CB 1.828 33.672 31.823 0.035 0.000 0.988 49 V HN 0.448 nan 8.190 nan 0.000 0.432 50 S N 3.356 119.081 115.700 0.042 0.000 2.456 50 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 50 S C 1.159 175.792 174.600 0.055 0.000 1.035 50 S CA 0.602 58.833 58.200 0.050 0.000 0.940 50 S CB 0.023 63.258 63.200 0.058 0.000 0.799 50 S HN 0.968 nan 8.310 nan 0.000 0.508 51 A N 2.585 125.423 122.820 0.030 0.000 2.544 51 A HA 0.502 4.822 4.320 -0.000 0.000 0.301 51 A C 0.356 177.877 177.584 -0.104 0.000 1.368 51 A CA -0.221 51.804 52.037 -0.020 0.000 1.045 51 A CB -0.401 18.534 19.000 -0.109 0.000 1.129 51 A HN 0.442 nan 8.150 nan 0.000 0.540 52 T N 0.440 114.976 114.554 -0.030 0.000 2.897 52 T HA 0.629 4.979 4.350 -0.000 0.000 0.278 52 T C -0.256 174.418 174.700 -0.042 0.000 0.981 52 T CA -0.517 61.566 62.100 -0.028 0.000 0.973 52 T CB 1.390 70.275 68.868 0.028 0.000 1.092 52 T HN 1.027 nan 8.240 nan 0.000 0.543 53 C N 0.016 119.305 119.300 -0.017 0.000 3.099 53 C HA 0.570 5.030 4.460 -0.000 0.000 0.357 53 C C 0.781 175.782 174.990 0.017 0.000 1.171 53 C CA -0.167 58.858 59.018 0.011 0.000 1.129 53 C CB 1.035 28.743 27.740 -0.053 0.000 1.420 53 C HN 1.012 nan 8.230 nan 0.000 0.510 54 T N 0.686 115.259 114.554 0.031 0.000 3.041 54 T HA 0.332 4.682 4.350 -0.000 0.000 0.276 54 T C -0.762 173.955 174.700 0.027 0.000 0.948 54 T CA 0.673 62.788 62.100 0.025 0.000 0.885 54 T CB -0.304 68.576 68.868 0.020 0.000 1.175 54 T HN 0.799 nan 8.240 nan 0.000 0.529 55 D N 0.382 120.793 120.400 0.017 0.000 2.788 55 D HA 0.262 4.902 4.640 -0.000 0.000 0.247 55 D C 0.816 177.090 176.300 -0.044 0.000 1.236 55 D CA -0.864 53.115 54.000 -0.036 0.000 0.898 55 D CB 0.972 41.695 40.800 -0.129 0.000 1.401 55 D HN 0.274 nan 8.370 nan 0.000 0.549 56 Y N 2.610 122.884 120.300 -0.043 0.000 2.538 56 Y HA -0.034 4.516 4.550 -0.000 0.000 0.287 56 Y C 1.463 177.304 175.900 -0.098 0.000 1.157 56 Y CA 0.797 58.911 58.100 0.024 0.000 1.338 56 Y CB -0.217 38.263 38.460 0.033 0.000 0.970 56 Y HN 0.254 nan 8.280 nan 0.000 0.564 57 R N 0.201 120.265 120.500 -0.727 0.000 2.140 57 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 57 R C 0.430 176.682 176.300 -0.080 0.000 1.059 57 R CA 0.870 56.634 56.100 -0.560 0.000 1.000 57 R CB 0.009 29.889 30.300 -0.701 0.000 0.910 57 R HN 0.296 nan 8.270 nan 0.000 0.455 58 D N 0.442 120.821 120.400 -0.035 0.000 2.395 58 D HA -0.017 4.623 4.640 -0.000 0.000 0.250 58 D C 0.971 177.440 176.300 0.283 0.000 1.203 58 D CA 0.328 54.388 54.000 0.100 0.000 0.872 58 D CB 0.413 41.272 40.800 0.097 0.000 0.941 58 D HN 0.012 nan 8.370 nan 0.000 0.504 59 V N 0.100 120.186 119.914 0.287 0.000 2.685 59 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 59 V C 1.994 178.355 176.094 0.445 0.000 1.054 59 V CA 0.303 62.850 62.300 0.413 0.000 1.076 59 V CB 0.117 32.224 31.823 0.473 0.000 0.725 59 V HN 0.275 nan 8.190 nan 0.000 0.467 60 L N 0.765 122.168 121.223 0.300 0.000 2.633 60 L HA 0.002 4.342 4.340 -0.000 0.000 0.235 60 L C 1.890 178.838 176.870 0.130 0.000 1.163 60 L CA 1.446 56.411 54.840 0.207 0.000 0.859 60 L CB -0.999 41.131 42.059 0.118 0.000 0.973 60 L HN 0.503 nan 8.230 nan 0.000 0.451 61 Q N -1.778 118.081 119.800 0.099 0.000 2.415 61 Q HA -0.070 4.270 4.340 -0.000 0.000 0.206 61 Q C 0.202 175.971 176.000 -0.385 0.000 0.946 61 Q CA 0.448 56.151 55.803 -0.166 0.000 0.951 61 Q CB 0.228 28.797 28.738 -0.282 0.000 1.026 61 Q HN 0.503 nan 8.270 nan 0.000 0.510 62 Y N -1.808 118.524 120.300 0.052 0.000 2.563 62 Y HA 0.274 4.824 4.550 -0.000 0.000 0.250 62 Y C 1.128 177.053 175.900 0.042 0.000 1.126 62 Y CA -0.264 57.863 58.100 0.045 0.000 1.231 62 Y CB 0.913 39.403 38.460 0.050 0.000 1.288 62 Y HN 0.050 nan 8.280 nan 0.000 0.537 63 G N 1.886 110.785 108.800 0.164 0.000 2.386 63 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.295 63 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.295 63 G C -0.006 174.961 174.900 0.113 0.000 0.979 63 G CA 0.351 45.519 45.100 0.112 0.000 1.193 63 G HN 0.155 nan 8.290 nan 0.000 0.508 64 V N 0.184 120.183 119.914 0.141 0.000 2.924 64 V HA 0.157 4.277 4.120 -0.000 0.000 0.305 64 V C 1.285 177.416 176.094 0.062 0.000 1.073 64 V CA 0.304 62.662 62.300 0.097 0.000 1.098 64 V CB 1.211 33.100 31.823 0.111 0.000 1.000 64 V HN 0.447 nan 8.190 nan 0.000 0.484 65 D N 1.347 121.754 120.400 0.011 0.000 2.346 65 D HA 0.396 5.036 4.640 -0.000 0.000 0.206 65 D C 0.427 176.708 176.300 -0.031 0.000 1.001 65 D CA 1.109 55.095 54.000 -0.023 0.000 0.871 65 D CB 1.118 41.872 40.800 -0.078 0.000 0.943 65 D HN 0.691 nan 8.370 nan 0.000 0.518 66 A N 0.209 123.022 122.820 -0.011 0.000 2.569 66 A HA 0.492 4.812 4.320 -0.000 0.000 0.292 66 A C -0.932 176.688 177.584 0.061 0.000 1.032 66 A CA -0.647 51.416 52.037 0.044 0.000 0.669 66 A CB 0.906 19.870 19.000 -0.059 0.000 1.290 66 A HN -0.020 nan 8.150 nan 0.000 0.422 70 H N 3.889 122.877 119.070 -0.138 0.000 2.581 70 H HA 0.636 5.191 4.556 -0.000 0.000 0.275 70 H C 0.686 176.013 175.328 -0.001 0.000 1.126 70 H CA 0.121 56.109 56.048 -0.099 0.000 1.097 70 H CB 0.691 30.346 29.762 -0.177 0.000 1.626 70 H HN 0.639 nan 8.280 nan 0.000 0.565 71 A N 1.006 123.882 122.820 0.093 0.000 2.260 71 A HA 0.650 4.970 4.320 -0.000 0.000 0.278 71 A C 0.802 178.381 177.584 -0.008 0.000 1.269 71 A CA 0.122 52.182 52.037 0.040 0.000 0.824 71 A CB 0.034 19.025 19.000 -0.015 0.000 1.238 71 A HN 0.360 nan 8.150 nan 0.000 0.507 72 A N -1.336 121.409 122.820 -0.123 0.000 2.366 72 A HA 0.413 4.733 4.320 -0.000 0.000 0.250 72 A C 1.351 178.550 177.584 -0.641 0.000 1.099 72 A CA 0.599 52.489 52.037 -0.244 0.000 0.794 72 A CB -0.603 18.303 19.000 -0.155 0.000 1.056 72 A HN 0.851 nan 8.150 nan 0.000 0.499 73 T N 0.530 114.714 114.554 -0.618 0.000 2.777 73 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 73 T C 1.259 175.699 174.700 -0.432 0.000 1.040 73 T CA 2.006 63.645 62.100 -0.768 0.000 1.141 73 T CB -0.589 68.106 68.868 -0.288 0.000 0.868 73 T HN 0.914 nan 8.240 nan 0.000 0.444 74 D N 1.936 122.176 120.400 -0.265 0.000 2.309 74 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 74 D C 1.652 177.867 176.300 -0.141 0.000 0.968 74 D CA 0.893 54.795 54.000 -0.164 0.000 0.882 74 D CB -0.517 40.211 40.800 -0.120 0.000 0.918 74 D HN 0.505 nan 8.370 nan 0.000 0.503 75 V N -4.212 115.599 119.914 -0.172 0.000 3.427 75 V HA 0.278 4.398 4.120 -0.000 0.000 0.305 75 V C 1.589 177.644 176.094 -0.065 0.000 1.412 75 V CA -0.231 61.995 62.300 -0.122 0.000 1.086 75 V CB -0.920 30.826 31.823 -0.127 0.000 0.964 75 V HN 0.109 nan 8.190 nan 0.000 0.439 76 H N 1.448 120.444 119.070 -0.124 0.000 2.270 76 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 76 H C 2.573 177.816 175.328 -0.142 0.000 1.077 76 H CA 1.870 57.833 56.048 -0.142 0.000 1.294 76 H CB 0.089 29.768 29.762 -0.139 0.000 1.371 76 H HN 0.515 nan 8.280 nan 0.000 0.491 77 S N 0.179 115.890 115.700 0.017 0.000 2.378 77 S HA -0.230 4.240 4.470 -0.000 0.000 0.221 77 S C 2.238 176.812 174.600 -0.044 0.000 1.037 77 S CA 1.898 60.070 58.200 -0.046 0.000 1.069 77 S CB -0.707 62.462 63.200 -0.051 0.000 1.006 77 S HN 0.467 nan 8.310 nan 0.000 0.423 78 T N 3.254 117.783 114.554 -0.042 0.000 2.594 78 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 78 T C 1.776 176.458 174.700 -0.030 0.000 1.070 78 T CA 1.859 63.938 62.100 -0.035 0.000 1.166 78 T CB -0.846 67.980 68.868 -0.071 0.000 0.862 78 T HN 0.238 nan 8.240 nan 0.000 0.436 79 L N 0.623 121.781 121.223 -0.109 0.000 2.046 79 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 79 L C 3.106 180.095 176.870 0.198 0.000 1.077 79 L CA 1.246 56.051 54.840 -0.058 0.000 0.747 79 L CB -0.777 41.187 42.059 -0.157 0.000 0.896 79 L HN 0.277 nan 8.230 nan 0.000 0.432 80 A N 0.140 122.983 122.820 0.038 0.000 1.940 80 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 80 A C 2.507 180.094 177.584 0.003 0.000 1.176 80 A CA 1.934 53.965 52.037 -0.010 0.000 0.631 80 A CB -0.664 18.249 19.000 -0.145 0.000 0.814 80 A HN 0.423 nan 8.150 nan 0.000 0.446 81 A N -1.469 121.334 122.820 -0.027 0.000 1.929 81 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 81 A C 2.006 179.550 177.584 -0.067 0.000 1.176 81 A CA 1.333 53.276 52.037 -0.156 0.000 0.628 81 A CB -0.679 18.237 19.000 -0.140 0.000 0.816 81 A HN 0.669 nan 8.150 nan 0.000 0.444 82 F N -0.176 119.776 119.950 0.003 0.000 2.126 82 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 82 F C 1.682 177.389 175.800 -0.154 0.000 1.096 82 F CA 1.862 59.854 58.000 -0.012 0.000 1.255 82 F CB -0.252 38.739 39.000 -0.015 0.000 0.997 82 F HN 0.216 nan 8.300 nan 0.000 0.479 83 F N -0.426 119.565 119.950 0.069 0.000 2.473 83 F HA 0.063 4.590 4.527 -0.000 0.000 0.294 83 F C 2.040 177.768 175.800 -0.121 0.000 1.103 83 F CA 0.540 58.522 58.000 -0.030 0.000 1.442 83 F CB -0.593 38.465 39.000 0.097 0.000 1.097 83 F HN -0.122 nan 8.300 nan 0.000 0.547 84 L N -0.936 120.273 121.223 -0.025 0.000 2.217 84 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 84 L C 2.531 179.143 176.870 -0.430 0.000 1.107 84 L CA 0.722 55.446 54.840 -0.194 0.000 0.783 84 L CB -0.596 41.294 42.059 -0.282 0.000 0.919 84 L HN 0.207 nan 8.230 nan 0.000 0.442 85 H N 0.376 119.183 119.070 -0.437 0.000 2.261 85 H HA -0.087 4.469 4.556 -0.000 0.000 0.301 85 H C 2.300 177.515 175.328 -0.188 0.000 1.067 85 H CA 1.497 57.244 56.048 -0.502 0.000 1.297 85 H CB -0.386 29.190 29.762 -0.310 0.000 1.377 85 H HN 0.219 nan 8.280 nan 0.000 0.492 86 L N -0.201 120.957 121.223 -0.108 0.000 2.351 86 L HA -0.081 4.259 4.340 -0.000 0.000 0.220 86 L C 1.013 177.893 176.870 0.017 0.000 1.127 86 L CA 0.899 55.674 54.840 -0.109 0.000 0.786 86 L CB -0.517 41.368 42.059 -0.290 0.000 0.914 86 L HN 0.486 nan 8.230 nan 0.000 0.443 87 G N 1.092 109.922 108.800 0.050 0.000 2.638 87 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.269 87 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.269 87 G C -0.471 174.486 174.900 0.095 0.000 1.141 87 G CA -0.596 44.564 45.100 0.100 0.000 1.081 87 G HN 0.081 nan 8.290 nan 0.000 0.527 88 I N 0.346 120.983 120.570 0.112 0.000 2.499 88 I HA 0.345 4.515 4.170 -0.000 0.000 0.288 88 I C -2.365 173.837 176.117 0.142 0.000 1.048 88 I CA -2.920 58.471 61.300 0.153 0.000 1.062 88 I CB 2.027 40.194 38.000 0.279 0.000 1.238 88 I HN -0.093 nan 8.210 nan 0.000 0.426 89 P HA 0.111 nan 4.420 nan 0.000 0.263 89 P C -0.470 176.997 177.300 0.279 0.000 1.195 89 P CA 0.478 63.691 63.100 0.188 0.000 0.762 89 P CB 0.445 32.220 31.700 0.126 0.000 0.799 90 T N 4.138 118.820 114.554 0.213 0.000 2.823 90 T HA 0.508 4.858 4.350 -0.000 0.000 0.279 90 T C -0.935 173.715 174.700 -0.084 0.000 0.998 90 T CA -0.212 61.924 62.100 0.061 0.000 0.994 90 T CB 0.451 69.278 68.868 -0.069 0.000 0.960 90 T HN 0.132 nan 8.240 nan 0.000 0.448 91 F N 3.831 123.453 119.950 -0.547 0.000 2.449 91 F HA 0.688 5.215 4.527 -0.000 0.000 0.342 91 F C -1.099 174.299 175.800 -0.670 0.000 1.127 91 F CA -0.624 56.821 58.000 -0.926 0.000 0.975 91 F CB 0.925 38.818 39.000 -1.845 0.000 1.146 91 F HN 0.280 nan 8.300 nan 0.000 0.444 92 V N 4.994 124.277 119.914 -1.051 0.000 2.735 92 V HA 0.300 4.420 4.120 -0.000 0.000 0.310 92 V C -0.617 174.923 176.094 -0.923 0.000 1.061 92 V CA -1.005 60.779 62.300 -0.859 0.000 0.913 92 V CB 1.773 33.151 31.823 -0.742 0.000 1.005 92 V HN 0.634 nan 8.190 nan 0.000 0.428 93 D N 2.647 122.694 120.400 -0.589 0.000 2.302 93 D HA 0.237 4.877 4.640 -0.000 0.000 0.248 93 D C 0.020 176.145 176.300 -0.291 0.000 1.094 93 D CA -0.422 53.407 54.000 -0.285 0.000 0.897 93 D CB 1.471 42.315 40.800 0.072 0.000 1.200 93 D HN 0.692 nan 8.370 nan 0.000 0.429 94 K N 2.798 123.014 120.400 -0.305 0.000 2.489 94 K HA 0.191 4.511 4.320 -0.000 0.000 0.278 94 K C -2.412 174.198 176.600 0.016 0.000 1.000 94 K CA -0.817 55.302 56.287 -0.280 0.000 1.012 94 K CB -0.038 32.145 32.500 -0.528 0.000 0.903 94 K HN 0.081 nan 8.250 nan 0.000 0.485 95 P HA 0.017 nan 4.420 nan 0.000 0.284 95 P C 0.206 177.633 177.300 0.211 0.000 1.258 95 P CA -0.773 62.472 63.100 0.242 0.000 0.824 95 P CB 1.112 33.048 31.700 0.394 0.000 1.038 96 L N 1.788 123.133 121.223 0.202 0.000 1.989 96 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 96 L C 0.783 177.623 176.870 -0.050 0.000 1.071 96 L CA 2.343 57.072 54.840 -0.184 0.000 0.749 96 L CB -1.164 40.615 42.059 -0.467 0.000 0.890 96 L HN 0.607 nan 8.230 nan 0.000 0.431 97 A N -2.779 120.053 122.820 0.019 0.000 2.524 97 A HA 0.740 5.060 4.320 -0.000 0.000 0.286 97 A C 0.554 178.121 177.584 -0.029 0.000 1.203 97 A CA -0.109 51.935 52.037 0.011 0.000 0.736 97 A CB 0.516 19.475 19.000 -0.067 0.000 1.322 97 A HN 0.263 nan 8.150 nan 0.000 0.424 98 A N -0.599 122.124 122.820 -0.161 0.000 2.218 98 A HA 0.528 4.848 4.320 -0.000 0.000 0.209 98 A C 0.928 178.130 177.584 -0.637 0.000 1.168 98 A CA 1.347 53.161 52.037 -0.372 0.000 0.804 98 A CB -0.357 18.492 19.000 -0.250 0.000 0.834 98 A HN 1.640 nan 8.150 nan 0.000 0.482 99 S N -3.076 112.406 115.700 -0.363 0.000 2.556 99 S HA 0.554 5.024 4.470 -0.000 0.000 0.271 99 S C 0.760 175.366 174.600 0.009 0.000 1.135 99 S CA 0.130 58.190 58.200 -0.233 0.000 0.858 99 S CB 1.405 64.523 63.200 -0.137 0.000 1.114 99 S HN 0.790 nan 8.310 nan 0.000 0.468 100 A N 2.360 125.268 122.820 0.147 0.000 1.933 100 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 100 A C 1.938 179.566 177.584 0.073 0.000 1.175 100 A CA 2.251 54.389 52.037 0.169 0.000 0.628 100 A CB -1.075 18.031 19.000 0.177 0.000 0.814 100 A HN 0.838 nan 8.150 nan 0.000 0.444 101 Q N 0.163 119.987 119.800 0.038 0.000 2.014 101 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 101 Q C 1.859 177.860 176.000 0.001 0.000 0.993 101 Q CA 2.513 58.325 55.803 0.015 0.000 0.850 101 Q CB -0.399 28.339 28.738 0.000 0.000 0.916 101 Q HN 0.760 nan 8.270 nan 0.000 0.417 102 E N -1.032 119.156 120.200 -0.021 0.000 2.130 102 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 102 E C 2.207 178.780 176.600 -0.045 0.000 0.998 102 E CA 1.262 57.638 56.400 -0.040 0.000 0.806 102 E CB -0.256 29.407 29.700 -0.061 0.000 0.738 102 E HN 0.423 nan 8.360 nan 0.000 0.459 103 C N 0.983 120.263 119.300 -0.032 0.000 2.432 103 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 103 C C 2.447 177.482 174.990 0.073 0.000 1.249 103 C CA 0.903 59.901 59.018 -0.032 0.000 1.725 103 C CB -0.797 26.904 27.740 -0.063 0.000 2.028 103 C HN 0.478 nan 8.230 nan 0.000 0.477 104 E N 0.973 121.212 120.200 0.066 0.000 2.077 104 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 104 E C 1.736 178.374 176.600 0.064 0.000 0.989 104 E CA 1.334 57.782 56.400 0.080 0.000 0.800 104 E CB -0.327 29.398 29.700 0.042 0.000 0.746 104 E HN 0.591 nan 8.360 nan 0.000 0.452 105 N N 0.976 119.687 118.700 0.018 0.000 2.018 105 N HA -0.164 4.576 4.740 -0.000 0.000 0.196 105 N C 1.839 177.325 175.510 -0.039 0.000 1.043 105 N CA 1.067 54.111 53.050 -0.009 0.000 0.856 105 N CB -0.341 38.131 38.487 -0.025 0.000 1.042 105 N HN 0.076 nan 8.380 nan 0.000 0.423 106 L N -1.095 120.079 121.223 -0.083 0.000 2.079 106 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 106 L C 1.725 178.472 176.870 -0.204 0.000 1.081 106 L CA 1.155 55.887 54.840 -0.180 0.000 0.752 106 L CB -0.379 41.529 42.059 -0.253 0.000 0.896 106 L HN 0.301 nan 8.230 nan 0.000 0.433 107 Y N -0.557 119.689 120.300 -0.090 0.000 2.457 107 Y HA -0.171 4.379 4.550 -0.000 0.000 0.292 107 Y C 2.606 178.479 175.900 -0.044 0.000 1.125 107 Y CA 0.899 58.958 58.100 -0.069 0.000 1.254 107 Y CB 0.192 38.613 38.460 -0.065 0.000 1.012 107 Y HN 0.204 nan 8.280 nan 0.000 0.555 108 E N -0.177 120.078 120.200 0.091 0.000 2.170 108 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 108 E C 1.874 178.489 176.600 0.024 0.000 0.981 108 E CA 0.488 56.922 56.400 0.057 0.000 0.830 108 E CB -0.043 29.680 29.700 0.038 0.000 0.775 108 E HN 0.347 nan 8.360 nan 0.000 0.470 109 L N 0.279 121.487 121.223 -0.025 0.000 2.217 109 L HA 0.077 4.417 4.340 -0.000 0.000 0.211 109 L C 1.958 178.788 176.870 -0.066 0.000 1.107 109 L CA 1.532 56.336 54.840 -0.059 0.000 0.783 109 L CB -0.267 41.675 42.059 -0.195 0.000 0.919 109 L HN 0.098 nan 8.230 nan 0.000 0.442 110 A N 0.378 123.154 122.820 -0.074 0.000 1.855 110 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 110 A C 2.121 179.725 177.584 0.032 0.000 1.191 110 A CA 1.558 53.564 52.037 -0.052 0.000 0.613 110 A CB -0.714 18.237 19.000 -0.082 0.000 0.829 110 A HN 0.675 nan 8.150 nan 0.000 0.442 111 E N 0.021 120.259 120.200 0.063 0.000 2.268 111 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 111 E C 1.894 178.438 176.600 -0.093 0.000 0.995 111 E CA 1.174 57.614 56.400 0.067 0.000 0.836 111 E CB -0.331 29.431 29.700 0.103 0.000 0.763 111 E HN 0.661 nan 8.360 nan 0.000 0.491 112 K N 0.963 121.330 120.400 -0.056 0.000 2.063 112 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 112 K C 1.479 177.905 176.600 -0.291 0.000 1.048 112 K CA 1.557 57.778 56.287 -0.111 0.000 0.928 112 K CB -0.104 32.445 32.500 0.082 0.000 0.713 112 K HN 0.372 nan 8.250 nan 0.000 0.442 113 H N -1.007 117.905 119.070 -0.264 0.000 2.529 113 H HA 0.053 4.609 4.556 -0.000 0.000 0.277 113 H C -0.534 174.722 175.328 -0.120 0.000 1.004 113 H CA -0.115 55.816 56.048 -0.195 0.000 1.167 113 H CB 0.281 30.002 29.762 -0.069 0.000 1.445 113 H HN 0.329 nan 8.280 nan 0.000 0.554 114 H N 0.807 119.953 119.070 0.126 0.000 2.677 114 H HA -0.140 4.416 4.556 -0.000 0.000 0.321 114 H C -0.280 175.102 175.328 0.090 0.000 1.171 114 H CA 0.451 56.551 56.048 0.088 0.000 1.139 114 H CB -1.561 28.236 29.762 0.059 0.000 1.515 114 H HN 0.527 nan 8.280 nan 0.000 0.423 115 Q N 0.479 120.375 119.800 0.160 0.000 2.375 115 Q HA 0.393 4.732 4.340 -0.000 0.000 0.271 115 Q C -2.302 173.765 176.000 0.111 0.000 1.074 115 Q CA -1.752 54.125 55.803 0.124 0.000 0.808 115 Q CB 3.236 32.029 28.738 0.091 0.000 1.327 115 Q HN 0.159 nan 8.270 nan 0.000 0.441 116 P HA 0.226 nan 4.420 nan 0.000 0.278 116 P C -0.771 176.612 177.300 0.139 0.000 1.238 116 P CA -0.562 62.639 63.100 0.169 0.000 0.794 116 P CB 0.932 32.763 31.700 0.218 0.000 0.955 117 L N 4.466 125.739 121.223 0.083 0.000 2.433 117 L HA 0.384 4.724 4.340 -0.000 0.000 0.256 117 L C -1.221 175.633 176.870 -0.026 0.000 1.063 117 L CA -1.083 53.694 54.840 -0.105 0.000 0.922 117 L CB 0.115 41.860 42.059 -0.523 0.000 1.238 117 L HN 0.214 nan 8.230 nan 0.000 0.466 118 Y N 3.442 123.682 120.300 -0.099 0.000 2.359 118 Y HA 0.513 5.063 4.550 -0.000 0.000 0.334 118 Y C -0.235 175.338 175.900 -0.545 0.000 1.058 118 Y CA 0.036 58.048 58.100 -0.148 0.000 1.244 118 Y CB 1.043 39.529 38.460 0.044 0.000 1.187 118 Y HN 0.339 nan 8.280 nan 0.000 0.510 119 V N 5.747 125.335 119.914 -0.543 0.000 2.394 119 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 119 V C 0.516 176.205 176.094 -0.675 0.000 1.031 119 V CA -0.719 61.192 62.300 -0.648 0.000 0.881 119 V CB 1.364 32.935 31.823 -0.420 0.000 0.982 119 V HN 1.006 nan 8.190 nan 0.000 0.451 120 G N 4.202 112.519 108.800 -0.804 0.000 2.494 120 G HA2 0.339 4.299 3.960 -0.000 0.000 0.297 120 G HA3 0.339 4.299 3.960 -0.000 0.000 0.297 120 G C -0.546 174.205 174.900 -0.249 0.000 0.971 120 G CA 0.057 44.995 45.100 -0.269 0.000 1.378 120 G HN 0.604 nan 8.290 nan 0.000 0.456 121 F N 3.025 123.033 119.950 0.097 0.000 2.453 121 F HA 0.149 4.676 4.527 -0.000 0.000 0.358 121 F C 1.587 177.416 175.800 0.049 0.000 1.129 121 F CA -1.230 56.784 58.000 0.025 0.000 1.200 121 F CB 1.091 40.039 39.000 -0.087 0.000 1.431 121 F HN 0.561 nan 8.300 nan 0.000 0.503 122 N N 1.271 120.053 118.700 0.137 0.000 2.272 122 N HA -0.215 4.524 4.740 -0.000 0.000 0.185 122 N C 1.461 176.908 175.510 -0.104 0.000 1.014 122 N CA 1.030 54.008 53.050 -0.120 0.000 0.870 122 N CB -0.156 37.889 38.487 -0.737 0.000 0.975 122 N HN 0.344 nan 8.380 nan 0.000 0.433 123 R N 0.432 120.907 120.500 -0.041 0.000 2.395 123 R HA 0.120 4.460 4.340 -0.000 0.000 0.203 123 R C 1.589 177.828 176.300 -0.102 0.000 1.076 123 R CA 0.451 56.519 56.100 -0.054 0.000 1.059 123 R CB -0.096 30.092 30.300 -0.187 0.000 0.860 123 R HN 0.400 nan 8.270 nan 0.000 0.476 124 R N -1.489 118.885 120.500 -0.211 0.000 2.335 124 R HA 0.152 4.492 4.340 -0.000 0.000 0.210 124 R C 0.074 176.064 176.300 -0.517 0.000 0.892 124 R CA 0.231 56.098 56.100 -0.389 0.000 1.048 124 R CB 0.555 30.514 30.300 -0.568 0.000 1.067 124 R HN 0.307 nan 8.270 nan 0.000 0.524 125 H N 0.385 119.467 119.070 0.020 0.000 2.528 125 H HA 0.267 4.823 4.556 -0.000 0.000 0.256 125 H C -0.391 174.891 175.328 -0.076 0.000 1.204 125 H CA -0.269 55.783 56.048 0.006 0.000 0.955 125 H CB 0.185 29.968 29.762 0.035 0.000 1.817 125 H HN -0.016 nan 8.280 nan 0.000 0.579 126 I N 3.876 124.410 120.570 -0.060 0.000 2.301 126 I HA 0.077 4.247 4.170 -0.000 0.000 0.292 126 I C -1.101 174.920 176.117 -0.160 0.000 1.046 126 I CA -1.778 59.389 61.300 -0.221 0.000 1.282 126 I CB 1.457 39.176 38.000 -0.468 0.000 1.409 126 I HN -0.031 nan 8.210 nan 0.000 0.484 127 P HA -0.277 nan 4.420 nan 0.000 0.216 127 P C 1.717 178.986 177.300 -0.051 0.000 1.167 127 P CA 1.435 64.502 63.100 -0.055 0.000 0.914 127 P CB 0.348 32.027 31.700 -0.036 0.000 0.793 128 L N -1.625 119.550 121.223 -0.081 0.000 2.083 128 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 128 L C 2.688 179.620 176.870 0.103 0.000 1.083 128 L CA 1.884 56.750 54.840 0.045 0.000 0.752 128 L CB -1.484 40.622 42.059 0.078 0.000 0.899 128 L HN -0.126 nan 8.230 nan 0.000 0.433 129 Y N -0.653 119.495 120.300 -0.254 0.000 2.243 129 Y HA -0.037 4.513 4.550 -0.000 0.000 0.293 129 Y C 2.442 178.266 175.900 -0.128 0.000 1.124 129 Y CA 0.782 58.667 58.100 -0.359 0.000 1.159 129 Y CB -1.339 36.913 38.460 -0.347 0.000 1.008 129 Y HN 0.292 nan 8.280 nan 0.000 0.527 130 N N 0.206 118.957 118.700 0.086 0.000 2.453 130 N HA -0.111 4.628 4.740 -0.000 0.000 0.183 130 N C 1.669 177.179 175.510 0.001 0.000 1.041 130 N CA 0.723 53.804 53.050 0.052 0.000 0.900 130 N CB -0.295 38.223 38.487 0.052 0.000 0.961 130 N HN 0.500 nan 8.380 nan 0.000 0.443 131 Q N -0.405 119.367 119.800 -0.047 0.000 2.020 131 Q HA -0.035 4.305 4.340 -0.000 0.000 0.198 131 Q C 1.280 177.115 176.000 -0.275 0.000 0.974 131 Q CA 1.020 56.712 55.803 -0.185 0.000 0.829 131 Q CB -0.014 28.544 28.738 -0.301 0.000 0.894 131 Q HN 0.599 nan 8.270 nan 0.000 0.433 132 H N -0.768 118.314 119.070 0.020 0.000 2.497 132 H HA 0.136 4.692 4.556 -0.000 0.000 0.282 132 H C 0.359 175.563 175.328 -0.207 0.000 1.003 132 H CA 0.610 56.609 56.048 -0.082 0.000 1.307 132 H CB 0.470 30.170 29.762 -0.102 0.000 1.437 132 H HN 0.122 nan 8.280 nan 0.000 0.544 133 L N 2.623 123.833 121.223 -0.021 0.000 2.426 133 L HA 0.135 4.475 4.340 -0.000 0.000 0.255 133 L C 1.341 178.251 176.870 0.068 0.000 1.080 133 L CA -0.368 54.493 54.840 0.035 0.000 0.960 133 L CB 1.132 43.216 42.059 0.042 0.000 1.326 133 L HN 0.107 nan 8.230 nan 0.000 0.441 134 S N -0.299 115.438 115.700 0.060 0.000 2.419 134 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 134 S C 1.425 176.072 174.600 0.078 0.000 1.019 134 S CA 0.874 59.108 58.200 0.057 0.000 0.982 134 S CB -0.027 63.197 63.200 0.040 0.000 0.789 134 S HN 0.570 nan 8.310 nan 0.000 0.490 135 E N 1.719 121.987 120.200 0.113 0.000 2.160 135 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 135 E C 1.858 178.502 176.600 0.072 0.000 0.991 135 E CA 0.944 57.401 56.400 0.096 0.000 0.810 135 E CB -0.551 29.213 29.700 0.107 0.000 0.742 135 E HN 0.578 nan 8.360 nan 0.000 0.466 136 L N -0.563 120.708 121.223 0.079 0.000 2.240 136 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 136 L C 2.210 179.113 176.870 0.054 0.000 1.106 136 L CA 0.777 55.661 54.840 0.073 0.000 0.793 136 L CB -0.319 41.810 42.059 0.118 0.000 0.927 136 L HN 0.137 nan 8.230 nan 0.000 0.446 137 A N -0.572 122.287 122.820 0.065 0.000 1.930 137 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 137 A C 2.166 179.801 177.584 0.085 0.000 1.176 137 A CA 1.077 53.159 52.037 0.074 0.000 0.632 137 A CB -0.218 18.825 19.000 0.071 0.000 0.819 137 A HN 0.276 nan 8.150 nan 0.000 0.445 138 Q N -0.964 118.878 119.800 0.070 0.000 2.331 138 Q HA 0.056 4.396 4.340 -0.000 0.000 0.203 138 Q C -0.213 175.827 176.000 0.066 0.000 0.944 138 Q CA 0.674 56.512 55.803 0.059 0.000 0.892 138 Q CB -0.082 28.676 28.738 0.034 0.000 0.983 138 Q HN 0.691 nan 8.270 nan 0.000 0.482 139 Q N 0.442 120.282 119.800 0.067 0.000 2.454 139 Q HA -0.183 4.157 4.340 -0.000 0.000 0.307 139 Q C -1.019 175.017 176.000 0.060 0.000 1.430 139 Q CA 0.853 56.698 55.803 0.071 0.000 0.786 139 Q CB -2.029 26.794 28.738 0.142 0.000 1.115 139 Q HN 0.574 nan 8.270 nan 0.000 0.389 140 E N -2.395 117.830 120.200 0.042 0.000 2.390 140 E HA 0.364 4.714 4.350 -0.000 0.000 0.280 140 E C 0.063 176.684 176.600 0.034 0.000 0.992 140 E CA -0.739 55.682 56.400 0.035 0.000 0.790 140 E CB 0.420 30.131 29.700 0.018 0.000 1.248 140 E HN 0.098 nan 8.360 nan 0.000 0.447 141 C N 1.748 121.066 119.300 0.031 0.000 2.401 141 C HA 0.010 4.470 4.460 -0.000 0.000 0.276 141 C C 1.858 176.862 174.990 0.023 0.000 1.233 141 C CA 1.575 60.602 59.018 0.016 0.000 1.753 141 C CB -1.748 26.004 27.740 0.019 0.000 2.029 141 C HN 1.057 nan 8.230 nan 0.000 0.478 142 G N 0.318 109.143 108.800 0.042 0.000 2.634 142 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.309 142 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.309 142 G C 0.874 175.821 174.900 0.080 0.000 1.265 142 G CA 0.695 45.836 45.100 0.068 0.000 0.998 142 G HN 1.213 nan 8.290 nan 0.000 0.551 143 A N -0.416 122.493 122.820 0.148 0.000 2.251 143 A HA 0.624 4.944 4.320 -0.000 0.000 0.209 143 A C 1.290 178.947 177.584 0.122 0.000 1.187 143 A CA 0.432 52.580 52.037 0.184 0.000 0.823 143 A CB -0.179 18.989 19.000 0.281 0.000 0.846 143 A HN 0.702 nan 8.150 nan 0.000 0.486 144 L N 0.333 121.519 121.223 -0.062 0.000 2.525 144 L HA 0.054 4.394 4.340 -0.000 0.000 0.278 144 L C 1.580 178.340 176.870 -0.184 0.000 1.218 144 L CA -0.440 54.187 54.840 -0.355 0.000 0.878 144 L CB 0.477 42.353 42.059 -0.306 0.000 1.127 144 L HN 0.306 nan 8.230 nan 0.000 0.492 145 R N 1.030 121.411 120.500 -0.199 0.000 2.195 145 R HA 0.162 4.502 4.340 -0.000 0.000 0.197 145 R C 0.206 176.445 176.300 -0.101 0.000 0.990 145 R CA 0.494 56.539 56.100 -0.092 0.000 1.048 145 R CB 0.409 30.684 30.300 -0.041 0.000 0.997 145 R HN 0.763 nan 8.270 nan 0.000 0.502 146 S N -0.346 115.271 115.700 -0.137 0.000 2.547 146 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 146 S C -1.458 173.070 174.600 -0.120 0.000 1.150 146 S CA -0.946 57.190 58.200 -0.106 0.000 0.850 146 S CB 1.935 65.102 63.200 -0.054 0.000 1.118 146 S HN 0.005 nan 8.310 nan 0.000 0.461 147 L N 1.700 122.865 121.223 -0.096 0.000 2.541 147 L HA 0.652 4.992 4.340 -0.000 0.000 0.266 147 L C -0.798 176.052 176.870 -0.034 0.000 0.966 147 L CA -0.253 54.544 54.840 -0.072 0.000 0.871 147 L CB 1.832 43.847 42.059 -0.074 0.000 1.232 147 L HN 0.978 nan 8.230 nan 0.000 0.408 148 R N 4.699 125.178 120.500 -0.036 0.000 2.393 148 R HA 0.401 4.741 4.340 -0.000 0.000 0.315 148 R C -1.900 174.369 176.300 -0.051 0.000 0.952 148 R CA -0.588 55.476 56.100 -0.060 0.000 0.842 148 R CB 1.125 31.355 30.300 -0.116 0.000 1.163 148 R HN 0.710 nan 8.270 nan 0.000 0.450 149 W N 5.867 127.059 121.300 -0.180 0.000 2.338 149 W HA 0.323 4.983 4.660 -0.000 0.000 0.315 149 W C -1.148 175.245 176.519 -0.210 0.000 1.005 149 W CA -0.651 56.596 57.345 -0.164 0.000 1.380 149 W CB 1.250 30.625 29.460 -0.141 0.000 1.235 149 W HN 0.668 nan 8.180 nan 0.000 0.409 150 E N 3.852 123.990 120.200 -0.103 0.000 2.156 150 E HA 0.255 4.605 4.350 -0.000 0.000 0.279 150 E C -0.643 175.708 176.600 -0.414 0.000 0.965 150 E CA -0.546 55.667 56.400 -0.312 0.000 0.789 150 E CB 2.403 31.812 29.700 -0.486 0.000 1.098 150 E HN 0.145 nan 8.360 nan 0.000 0.397 151 K N 3.545 123.701 120.400 -0.406 0.000 2.621 151 K HA 0.201 4.521 4.320 -0.000 0.000 0.233 151 K C -1.225 175.215 176.600 -0.267 0.000 0.972 151 K CA -0.564 55.562 56.287 -0.270 0.000 0.988 151 K CB 0.455 32.962 32.500 0.011 0.000 1.187 151 K HN 0.525 nan 8.250 nan 0.000 0.471 152 H N 1.908 120.866 119.070 -0.187 0.000 2.525 152 H HA 0.539 5.095 4.556 -0.000 0.000 0.340 152 H C -0.100 175.217 175.328 -0.019 0.000 1.168 152 H CA -0.613 55.333 56.048 -0.170 0.000 1.247 152 H CB 1.252 30.683 29.762 -0.551 0.000 1.568 152 H HN 0.365 nan 8.280 nan 0.000 0.536 153 R N 0.471 121.106 120.500 0.224 0.000 2.725 153 R HA 0.157 4.497 4.340 -0.000 0.000 0.277 153 R C -0.925 175.536 176.300 0.267 0.000 0.987 153 R CA -0.921 55.297 56.100 0.196 0.000 0.901 153 R CB 2.223 32.587 30.300 0.107 0.000 1.207 153 R HN 0.679 nan 8.270 nan 0.000 0.463 154 H N 0.918 120.082 119.070 0.157 0.000 2.604 154 H HA 0.367 4.923 4.556 -0.000 0.000 0.306 154 H C -0.101 175.288 175.328 0.103 0.000 1.075 154 H CA 0.617 56.746 56.048 0.135 0.000 1.357 154 H CB 0.888 30.711 29.762 0.102 0.000 1.426 154 H HN 0.852 nan 8.280 nan 0.000 0.470 155 A N 4.659 127.231 122.820 -0.413 0.000 2.136 155 A HA -0.173 4.147 4.320 -0.000 0.000 0.274 155 A C -0.345 177.185 177.584 -0.090 0.000 1.388 155 A CA 1.006 52.853 52.037 -0.317 0.000 0.741 155 A CB -1.759 16.918 19.000 -0.539 0.000 1.173 155 A HN 0.807 nan 8.150 nan 0.000 0.329 156 L N 2.480 123.705 121.223 0.002 0.000 2.567 156 L HA 0.322 4.662 4.340 -0.000 0.000 0.294 156 L C -2.251 174.673 176.870 0.090 0.000 1.365 156 L CA -0.419 54.446 54.840 0.042 0.000 0.669 156 L CB 1.297 43.382 42.059 0.043 0.000 0.989 156 L HN 0.401 nan 8.230 nan 0.000 0.519 157 P HA 0.576 nan 4.420 nan 0.000 0.274 157 P C -0.154 177.266 177.300 0.201 0.000 1.256 157 P CA 0.071 63.298 63.100 0.212 0.000 0.795 157 P CB 1.763 33.551 31.700 0.146 0.000 1.038 158 G N -0.557 108.413 108.800 0.283 0.000 2.606 158 G HA2 0.333 4.292 3.960 -0.000 0.000 0.300 158 G HA3 0.333 4.292 3.960 -0.000 0.000 0.300 158 G C -1.434 173.558 174.900 0.154 0.000 1.360 158 G CA -0.685 44.538 45.100 0.206 0.000 0.783 158 G HN 0.629 nan 8.290 nan 0.000 0.484 159 D N -0.246 120.219 120.400 0.108 0.000 2.399 159 D HA 0.091 4.731 4.640 -0.000 0.000 0.241 159 D C 1.632 177.968 176.300 0.060 0.000 1.133 159 D CA -0.443 53.587 54.000 0.050 0.000 0.890 159 D CB 1.709 42.534 40.800 0.041 0.000 1.201 159 D HN 0.334 nan 8.370 nan 0.000 0.432 160 I N 0.703 121.249 120.570 -0.039 0.000 2.091 160 I HA -0.400 3.770 4.170 -0.000 0.000 0.240 160 I C 2.750 178.911 176.117 0.074 0.000 1.046 160 I CA 1.377 62.628 61.300 -0.081 0.000 1.306 160 I CB -0.481 37.438 38.000 -0.135 0.000 1.018 160 I HN 0.351 nan 8.210 nan 0.000 0.404 161 R N 0.607 121.169 120.500 0.103 0.000 2.122 161 R HA -0.176 4.163 4.340 -0.000 0.000 0.236 161 R C 2.371 178.833 176.300 0.271 0.000 1.129 161 R CA 2.503 58.718 56.100 0.192 0.000 0.925 161 R CB -1.457 28.895 30.300 0.085 0.000 0.850 161 R HN 0.430 nan 8.270 nan 0.000 0.431 162 T N 1.299 115.970 114.554 0.196 0.000 2.708 162 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 162 T C 1.658 176.518 174.700 0.267 0.000 1.037 162 T CA 1.397 63.618 62.100 0.202 0.000 1.146 162 T CB -0.498 68.452 68.868 0.137 0.000 0.865 162 T HN 0.274 nan 8.240 nan 0.000 0.435 163 F N 1.693 121.701 119.950 0.096 0.000 2.091 163 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 163 F C 2.138 178.012 175.800 0.123 0.000 1.103 163 F CA 1.172 59.227 58.000 0.092 0.000 1.228 163 F CB -0.234 38.787 39.000 0.035 0.000 0.984 163 F HN -0.071 nan 8.300 nan 0.000 0.477 164 V N -0.213 119.985 119.914 0.472 0.000 2.231 164 V HA -0.273 3.847 4.120 -0.000 0.000 0.240 164 V C 2.015 178.218 176.094 0.182 0.000 1.039 164 V CA 2.029 64.519 62.300 0.317 0.000 0.998 164 V CB -1.036 30.843 31.823 0.093 0.000 0.639 164 V HN 0.249 nan 8.190 nan 0.000 0.451 165 F N 0.256 120.301 119.950 0.157 0.000 2.269 165 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 165 F C 2.255 178.103 175.800 0.080 0.000 1.082 165 F CA 1.715 59.778 58.000 0.104 0.000 1.360 165 F CB -0.172 38.885 39.000 0.096 0.000 1.041 165 F HN 0.219 nan 8.300 nan 0.000 0.512 166 D N -1.407 119.149 120.400 0.260 0.000 2.367 166 D HA -0.034 4.606 4.640 -0.000 0.000 0.207 166 D C 1.116 177.498 176.300 0.138 0.000 1.034 166 D CA 0.644 54.747 54.000 0.171 0.000 0.861 166 D CB 0.391 41.282 40.800 0.151 0.000 0.943 166 D HN 0.270 nan 8.370 nan 0.000 0.515 167 D N -1.252 119.228 120.400 0.133 0.000 2.954 167 D HA -0.024 4.615 4.640 -0.000 0.000 0.266 167 D C 1.238 177.626 176.300 0.145 0.000 1.277 167 D CA -0.248 53.827 54.000 0.126 0.000 1.130 167 D CB -0.360 40.428 40.800 -0.019 0.000 1.440 167 D HN -0.106 nan 8.370 nan 0.000 0.427 168 F N 1.279 121.229 119.950 0.000 0.000 2.307 168 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 168 F C 1.904 177.691 175.800 -0.022 0.000 1.076 168 F CA 0.720 58.743 58.000 0.039 0.000 1.383 168 F CB -0.163 38.936 39.000 0.164 0.000 1.055 168 F HN 0.059 nan 8.300 nan 0.000 0.526 169 I N -0.084 120.455 120.570 -0.051 0.000 2.315 169 I HA -0.342 3.828 4.170 -0.000 0.000 0.251 169 I C 2.514 178.437 176.117 -0.324 0.000 1.125 169 I CA 1.657 62.827 61.300 -0.217 0.000 1.392 169 I CB -0.650 37.259 38.000 -0.152 0.000 1.065 169 I HN 0.164 nan 8.210 nan 0.000 0.424 170 H N 1.317 120.273 119.070 -0.191 0.000 2.253 170 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 170 H C -0.496 174.482 175.328 -0.583 0.000 1.064 170 H CA 2.395 58.284 56.048 -0.265 0.000 1.264 170 H CB -2.030 27.660 29.762 -0.119 0.000 1.371 170 H HN 0.301 nan 8.280 nan 0.000 0.493 171 P HA -0.133 nan 4.420 nan 0.000 0.216 171 P C 2.054 178.956 177.300 -0.663 0.000 1.153 171 P CA 0.946 63.627 63.100 -0.699 0.000 0.848 171 P CB -0.137 31.341 31.700 -0.370 0.000 0.787 172 L N 1.034 121.776 121.223 -0.802 0.000 2.043 172 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 172 L C 2.130 178.775 176.870 -0.376 0.000 1.075 172 L CA 2.431 56.921 54.840 -0.583 0.000 0.752 172 L CB -1.630 40.067 42.059 -0.603 0.000 0.891 172 L HN -0.092 nan 8.230 nan 0.000 0.432 173 D N -1.781 118.302 120.400 -0.528 0.000 2.162 173 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 173 D C 2.038 178.001 176.300 -0.562 0.000 0.967 173 D CA 1.217 54.855 54.000 -0.603 0.000 0.840 173 D CB 0.079 40.226 40.800 -1.089 0.000 0.972 173 D HN 0.355 nan 8.370 nan 0.000 0.482 174 S N -0.723 114.569 115.700 -0.679 0.000 2.399 174 S HA -0.107 4.362 4.470 -0.000 0.000 0.231 174 S C 1.738 176.118 174.600 -0.366 0.000 1.022 174 S CA 0.770 58.545 58.200 -0.709 0.000 0.983 174 S CB -0.030 62.234 63.200 -1.560 0.000 0.803 174 S HN 0.255 nan 8.310 nan 0.000 0.480 175 V N 2.035 121.788 119.914 -0.268 0.000 3.647 175 V HA 0.237 4.357 4.120 -0.000 0.000 0.279 175 V C 0.478 176.534 176.094 -0.063 0.000 1.314 175 V CA 0.163 62.399 62.300 -0.107 0.000 1.125 175 V CB -0.331 31.436 31.823 -0.093 0.000 0.907 175 V HN 0.299 nan 8.190 nan 0.000 0.434 176 N N 0.845 119.537 118.700 -0.012 0.000 3.259 176 N HA 0.163 4.903 4.740 -0.000 0.000 0.308 176 N C 0.896 176.460 175.510 0.089 0.000 1.334 176 N CA 0.148 53.297 53.050 0.165 0.000 1.202 176 N CB -0.328 38.198 38.487 0.064 0.000 1.485 176 N HN 0.488 nan 8.380 nan 0.000 0.549 177 L N -0.642 120.631 121.223 0.084 0.000 2.552 177 L HA 0.014 4.354 4.340 -0.000 0.000 0.227 177 L C 1.599 178.527 176.870 0.097 0.000 1.146 177 L CA 0.578 55.454 54.840 0.060 0.000 0.858 177 L CB -0.214 41.865 42.059 0.034 0.000 0.969 177 L HN 0.366 nan 8.230 nan 0.000 0.451 178 S N -1.142 114.661 115.700 0.173 0.000 2.568 178 S HA 0.141 4.611 4.470 -0.000 0.000 0.232 178 S C 0.728 175.385 174.600 0.095 0.000 0.975 178 S CA -0.597 57.698 58.200 0.158 0.000 0.949 178 S CB 0.077 63.432 63.200 0.259 0.000 0.829 178 S HN 0.294 nan 8.310 nan 0.000 0.479 179 R N 0.641 121.178 120.500 0.062 0.000 3.333 179 R HA -0.147 4.193 4.340 -0.000 0.000 0.256 179 R C -0.195 176.061 176.300 -0.074 0.000 1.010 179 R CA 0.843 56.937 56.100 -0.009 0.000 0.680 179 R CB -2.619 27.675 30.300 -0.010 0.000 1.102 179 R HN 0.682 nan 8.270 nan 0.000 0.440 180 Q N -0.050 119.663 119.800 -0.144 0.000 2.311 180 Q HA 0.196 4.536 4.340 -0.000 0.000 0.272 180 Q C 0.843 176.666 176.000 -0.295 0.000 1.012 180 Q CA 0.743 56.322 55.803 -0.373 0.000 0.891 180 Q CB 0.537 28.689 28.738 -0.978 0.000 1.201 180 Q HN 0.504 nan 8.270 nan 0.000 0.391 181 C N 1.909 121.068 119.300 -0.237 0.000 3.642 181 C HA 0.483 4.943 4.460 -0.000 0.000 0.305 181 C C 0.135 175.042 174.990 -0.139 0.000 1.492 181 C CA -0.106 58.818 59.018 -0.157 0.000 1.809 181 C CB -1.579 26.103 27.740 -0.097 0.000 2.639 181 C HN 0.909 nan 8.230 nan 0.000 0.672 182 N N 0.031 118.623 118.700 -0.181 0.000 3.316 182 N HA 0.469 5.209 4.740 -0.000 0.000 0.300 182 N C -0.351 175.064 175.510 -0.158 0.000 1.567 182 N CA -1.029 51.942 53.050 -0.131 0.000 0.821 182 N CB 0.652 39.083 38.487 -0.093 0.000 1.748 182 N HN 0.047 nan 8.380 nan 0.000 0.603 183 L N -0.329 120.835 121.223 -0.097 0.000 2.728 183 L HA 0.297 4.637 4.340 -0.000 0.000 0.235 183 L C -0.607 176.229 176.870 -0.057 0.000 1.197 183 L CA -0.137 54.658 54.840 -0.074 0.000 0.992 183 L CB -0.958 41.083 42.059 -0.030 0.000 1.263 183 L HN 0.451 nan 8.230 nan 0.000 0.484 184 D N 1.144 121.494 120.400 -0.083 0.000 2.425 184 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 184 D C 0.639 176.916 176.300 -0.038 0.000 1.147 184 D CA 0.435 54.403 54.000 -0.053 0.000 0.879 184 D CB 0.453 41.217 40.800 -0.061 0.000 1.179 184 D HN 0.085 nan 8.370 nan 0.000 0.456 185 D N 0.622 121.027 120.400 0.009 0.000 2.860 185 D HA -0.233 4.407 4.640 -0.000 0.000 0.229 185 D C -0.217 176.143 176.300 0.100 0.000 1.169 185 D CA 0.618 54.647 54.000 0.049 0.000 0.737 185 D CB -0.716 40.113 40.800 0.049 0.000 1.080 185 D HN 0.337 nan 8.370 nan 0.000 0.424 186 L N -0.100 121.175 121.223 0.087 0.000 2.330 186 L HA 0.430 4.769 4.340 -0.000 0.000 0.271 186 L C -0.148 176.846 176.870 0.207 0.000 1.013 186 L CA -0.739 54.200 54.840 0.165 0.000 0.816 186 L CB 2.135 44.217 42.059 0.039 0.000 1.287 186 L HN -0.003 nan 8.230 nan 0.000 0.435 187 H N 5.037 124.182 119.070 0.125 0.000 2.638 187 H HA 0.387 4.943 4.556 -0.000 0.000 0.317 187 H C -1.681 173.696 175.328 0.082 0.000 1.006 187 H CA -0.850 55.241 56.048 0.072 0.000 1.222 187 H CB 1.806 31.589 29.762 0.036 0.000 1.419 187 H HN 0.526 nan 8.280 nan 0.000 0.489 188 L N 5.737 126.820 121.223 -0.233 0.000 2.333 188 L HA 0.446 4.786 4.340 -0.000 0.000 0.280 188 L C -0.714 175.983 176.870 -0.289 0.000 1.004 188 L CA -0.177 54.562 54.840 -0.169 0.000 0.820 188 L CB 1.626 43.679 42.059 -0.010 0.000 1.247 188 L HN 0.673 nan 8.230 nan 0.000 0.416 189 T N 1.590 116.011 114.554 -0.221 0.000 2.901 189 T HA 0.881 5.231 4.350 -0.000 0.000 0.293 189 T C -0.802 173.868 174.700 -0.050 0.000 1.084 189 T CA -0.337 61.619 62.100 -0.241 0.000 1.008 189 T CB 1.766 70.497 68.868 -0.228 0.000 1.170 189 T HN 0.920 nan 8.240 nan 0.000 0.509 190 Y N -1.684 118.578 120.300 -0.063 0.000 2.818 190 Y HA 0.819 5.369 4.550 -0.000 0.000 0.341 190 Y C -1.129 174.795 175.900 0.040 0.000 1.283 190 Y CA -1.347 56.722 58.100 -0.051 0.000 1.075 190 Y CB 0.507 38.875 38.460 -0.154 0.000 1.370 190 Y HN 1.168 nan 8.280 nan 0.000 0.448 194 E N 2.536 122.718 120.200 -0.031 0.000 2.539 194 E HA -0.248 4.102 4.350 -0.000 0.000 0.253 194 E C 0.860 177.447 176.600 -0.021 0.000 1.145 194 E CA 1.193 57.585 56.400 -0.015 0.000 0.738 194 E CB -1.570 28.130 29.700 0.000 0.000 1.308 194 E HN 1.808 nan 8.360 nan 0.000 0.409 195 G N -1.096 107.680 108.800 -0.039 0.000 2.157 195 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 195 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 195 G C 0.173 175.046 174.900 -0.045 0.000 0.979 195 G CA 0.491 45.568 45.100 -0.039 0.000 0.650 195 G HN 0.260 nan 8.290 nan 0.000 0.529 196 L N -0.496 120.698 121.223 -0.048 0.000 2.279 196 L HA 0.700 5.040 4.340 -0.000 0.000 0.262 196 L C 0.533 177.349 176.870 -0.090 0.000 1.019 196 L CA -1.253 53.562 54.840 -0.042 0.000 0.823 196 L CB 1.847 43.913 42.059 0.012 0.000 1.358 196 L HN 0.053 nan 8.230 nan 0.000 0.432 197 L N 0.794 121.943 121.223 -0.122 0.000 2.290 197 L HA 0.353 4.693 4.340 -0.000 0.000 0.284 197 L C 0.529 177.342 176.870 -0.095 0.000 1.078 197 L CA 0.082 54.743 54.840 -0.298 0.000 0.815 197 L CB 1.626 43.252 42.059 -0.721 0.000 1.162 197 L HN 0.894 nan 8.230 nan 0.000 0.435 198 A N 5.968 128.776 122.820 -0.020 0.000 1.970 198 A HA 0.207 4.527 4.320 -0.000 0.000 0.204 198 A C 0.560 178.342 177.584 0.330 0.000 1.325 198 A CA 0.092 52.256 52.037 0.211 0.000 0.767 198 A CB 0.337 19.463 19.000 0.210 0.000 0.949 198 A HN 0.784 nan 8.150 nan 0.000 0.481 199 R N -1.381 119.257 120.500 0.229 0.000 2.725 199 R HA 0.792 5.131 4.340 -0.000 0.000 0.277 199 R C -1.731 174.661 176.300 0.153 0.000 0.987 199 R CA -0.661 55.606 56.100 0.279 0.000 0.901 199 R CB 1.498 31.940 30.300 0.236 0.000 1.207 199 R HN 0.223 nan 8.270 nan 0.000 0.463 200 L N 1.197 122.527 121.223 0.179 0.000 2.464 200 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 200 L C -1.955 174.986 176.870 0.118 0.000 0.965 200 L CA -0.188 54.641 54.840 -0.018 0.000 0.833 200 L CB 2.547 44.364 42.059 -0.403 0.000 1.296 200 L HN 0.810 nan 8.230 nan 0.000 0.405 201 D N 3.355 123.835 120.400 0.134 0.000 2.696 201 D HA 0.626 5.266 4.640 -0.000 0.000 0.251 201 D C -1.265 175.175 176.300 0.234 0.000 1.188 201 D CA 0.004 54.182 54.000 0.297 0.000 0.876 201 D CB 2.544 43.518 40.800 0.290 0.000 1.334 201 D HN 0.288 nan 8.370 nan 0.000 0.540 202 V N 3.057 123.225 119.914 0.422 0.000 2.409 202 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 202 V C -0.528 175.775 176.094 0.348 0.000 1.020 202 V CA -0.533 61.999 62.300 0.388 0.000 0.848 202 V CB 1.618 33.778 31.823 0.561 0.000 0.990 202 V HN 0.470 nan 8.190 nan 0.000 0.430 203 Q N 4.531 124.480 119.800 0.248 0.000 2.331 203 Q HA 0.633 4.973 4.340 -0.000 0.000 0.272 203 Q C -1.859 174.335 176.000 0.324 0.000 1.062 203 Q CA -0.705 55.159 55.803 0.102 0.000 0.806 203 Q CB 2.812 31.433 28.738 -0.195 0.000 1.312 203 Q HN 0.826 nan 8.270 nan 0.000 0.431 204 W N 1.851 123.171 121.300 0.034 0.000 3.066 204 W HA 0.460 5.120 4.660 -0.000 0.000 0.330 204 W C -2.188 174.345 176.519 0.023 0.000 1.253 204 W CA -0.750 56.615 57.345 0.032 0.000 1.187 204 W CB 1.033 30.513 29.460 0.034 0.000 1.434 204 W HN 0.596 nan 8.180 nan 0.000 0.572 205 Q N 1.677 121.618 119.800 0.234 0.000 2.327 205 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 205 Q C -1.232 174.891 176.000 0.204 0.000 1.022 205 Q CA -0.421 55.435 55.803 0.089 0.000 0.773 205 Q CB 1.974 30.737 28.738 0.042 0.000 1.251 205 Q HN 0.497 nan 8.270 nan 0.000 0.457 206 T N 3.824 118.484 114.554 0.175 0.000 3.029 206 T HA 0.556 4.906 4.350 -0.000 0.000 0.346 206 T C 0.386 175.140 174.700 0.091 0.000 1.211 206 T CA 0.535 62.747 62.100 0.187 0.000 1.009 206 T CB 0.712 69.741 68.868 0.269 0.000 1.084 206 T HN 0.988 nan 8.240 nan 0.000 0.536 207 G N 3.813 112.656 108.800 0.071 0.000 2.650 207 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 207 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 207 G C 0.017 174.935 174.900 0.029 0.000 1.263 207 G CA -0.020 45.107 45.100 0.045 0.000 0.960 207 G HN 0.568 nan 8.290 nan 0.000 0.548 208 D N 1.736 122.147 120.400 0.019 0.000 2.501 208 D HA 0.346 4.986 4.640 -0.000 0.000 0.226 208 D C 0.108 176.400 176.300 -0.013 0.000 1.198 208 D CA 0.717 54.721 54.000 0.007 0.000 0.830 208 D CB 0.575 41.383 40.800 0.013 0.000 1.014 208 D HN 0.322 nan 8.370 nan 0.000 0.496 209 T N 1.408 115.948 114.554 -0.023 0.000 2.815 209 T HA 0.287 4.637 4.350 -0.000 0.000 0.289 209 T C -0.300 174.336 174.700 -0.107 0.000 1.000 209 T CA -0.588 61.473 62.100 -0.065 0.000 0.958 209 T CB 1.939 70.767 68.868 -0.066 0.000 0.944 209 T HN -0.078 nan 8.240 nan 0.000 0.442 210 L N 5.603 126.755 121.223 -0.118 0.000 2.268 210 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 210 L C -0.985 175.748 176.870 -0.229 0.000 1.064 210 L CA -0.280 54.467 54.840 -0.155 0.000 0.824 210 L CB -0.212 41.797 42.059 -0.084 0.000 1.202 210 L HN 0.575 nan 8.230 nan 0.000 0.433 211 L N 5.966 126.914 121.223 -0.458 0.000 2.275 211 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 211 L C -0.457 176.128 176.870 -0.474 0.000 1.046 211 L CA -0.441 54.060 54.840 -0.566 0.000 0.805 211 L CB 1.046 42.510 42.059 -0.992 0.000 1.193 211 L HN 0.657 nan 8.230 nan 0.000 0.426 212 H N 2.855 121.745 119.070 -0.299 0.000 2.924 212 H HA 0.646 5.202 4.556 -0.000 0.000 0.333 212 H C -1.256 174.069 175.328 -0.004 0.000 0.979 212 H CA -0.788 55.191 56.048 -0.116 0.000 1.326 212 H CB 1.643 31.386 29.762 -0.031 0.000 1.600 212 H HN 0.744 nan 8.280 nan 0.000 0.520 213 A N 4.075 127.128 122.820 0.390 0.000 2.287 213 A HA 0.538 4.858 4.320 -0.000 0.000 0.317 213 A C -0.422 177.439 177.584 0.461 0.000 1.220 213 A CA -0.165 52.010 52.037 0.230 0.000 0.835 213 A CB 0.959 19.964 19.000 0.008 0.000 1.180 213 A HN 0.706 nan 8.150 nan 0.000 0.500 217 R N 1.338 122.017 120.500 0.299 0.000 2.541 217 R HA 0.113 4.453 4.340 -0.000 0.000 0.245 217 R C 0.304 176.722 176.300 0.196 0.000 1.154 217 R CA 0.427 56.650 56.100 0.205 0.000 1.179 217 R CB 0.194 30.551 30.300 0.095 0.000 1.189 217 R HN 0.469 nan 8.270 nan 0.000 0.526 218 Q N -0.079 119.852 119.800 0.218 0.000 2.147 218 Q HA 0.151 4.491 4.340 -0.000 0.000 0.287 218 Q C -1.184 174.923 176.000 0.179 0.000 0.863 218 Q CA -0.315 55.576 55.803 0.146 0.000 1.073 218 Q CB 0.402 29.228 28.738 0.147 0.000 1.298 218 Q HN 0.095 nan 8.270 nan 0.000 0.411 219 F N -1.424 118.556 119.950 0.049 0.000 2.362 219 F HA 0.542 5.069 4.527 -0.000 0.000 0.311 219 F C 1.521 177.413 175.800 0.153 0.000 1.161 219 F CA 0.628 58.649 58.000 0.035 0.000 1.085 219 F CB 1.029 40.028 39.000 -0.001 0.000 1.311 219 F HN 0.103 nan 8.300 nan 0.000 0.524 220 G N 1.271 109.835 108.800 -0.393 0.000 2.572 220 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 220 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 220 G C 0.015 174.941 174.900 0.044 0.000 1.133 220 G CA 0.598 45.622 45.100 -0.127 0.000 0.791 220 G HN 0.487 nan 8.290 nan 0.000 0.538 221 I N -1.499 119.212 120.570 0.234 0.000 3.093 221 I HA 0.362 4.532 4.170 -0.000 0.000 0.308 221 I C -1.239 175.085 176.117 0.346 0.000 1.303 221 I CA -0.765 60.665 61.300 0.218 0.000 0.975 221 I CB 2.282 40.370 38.000 0.147 0.000 1.286 221 I HN -0.188 nan 8.210 nan 0.000 0.459 222 T N 3.231 117.912 114.554 0.211 0.000 2.733 222 T HA 0.598 4.948 4.350 -0.000 0.000 0.294 222 T C -0.778 173.970 174.700 0.080 0.000 0.956 222 T CA -0.113 62.084 62.100 0.162 0.000 0.987 222 T CB 0.706 69.651 68.868 0.129 0.000 0.920 222 T HN 0.643 nan 8.240 nan 0.000 0.470 223 T N 2.708 117.259 114.554 -0.004 0.000 2.830 223 T HA 0.396 4.746 4.350 -0.000 0.000 0.322 223 T C -1.497 173.007 174.700 -0.326 0.000 1.501 223 T CA -0.843 61.172 62.100 -0.141 0.000 1.036 223 T CB 2.408 71.174 68.868 -0.171 0.000 1.379 223 T HN 0.591 nan 8.240 nan 0.000 0.493 224 E N 0.700 120.691 120.200 -0.349 0.000 2.246 224 E HA 0.463 4.813 4.350 -0.000 0.000 0.266 224 E C -1.464 174.948 176.600 -0.313 0.000 0.880 224 E CA -0.576 55.603 56.400 -0.368 0.000 0.762 224 E CB 1.056 30.624 29.700 -0.220 0.000 1.180 224 E HN 0.709 nan 8.360 nan 0.000 0.416 225 H N 1.584 120.440 119.070 -0.356 0.000 2.572 225 H HA 0.542 5.098 4.556 -0.000 0.000 0.359 225 H C -0.991 174.033 175.328 -0.506 0.000 1.134 225 H CA -1.305 54.535 56.048 -0.348 0.000 1.187 225 H CB 2.155 31.781 29.762 -0.226 0.000 1.597 225 H HN 0.141 nan 8.280 nan 0.000 0.524 226 V N 2.862 122.534 119.914 -0.403 0.000 2.531 226 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 226 V C -0.206 175.722 176.094 -0.278 0.000 1.034 226 V CA -0.616 61.325 62.300 -0.599 0.000 0.865 226 V CB 1.780 32.908 31.823 -1.158 0.000 0.995 226 V HN 0.833 nan 8.190 nan 0.000 0.424 227 T N 3.652 118.095 114.554 -0.185 0.000 2.841 227 T HA 0.829 5.179 4.350 -0.000 0.000 0.283 227 T C -0.333 174.345 174.700 -0.036 0.000 1.000 227 T CA -0.443 61.618 62.100 -0.064 0.000 0.977 227 T CB 1.820 70.683 68.868 -0.008 0.000 0.979 227 T HN 1.006 nan 8.240 nan 0.000 0.446 228 A N 2.254 125.096 122.820 0.036 0.000 2.408 228 A HA 0.767 5.087 4.320 -0.000 0.000 0.295 228 A C -0.269 177.361 177.584 0.077 0.000 1.040 228 A CA -0.883 51.159 52.037 0.007 0.000 0.707 228 A CB 1.248 20.250 19.000 0.004 0.000 1.235 228 A HN 0.867 nan 8.150 nan 0.000 0.418 229 S N 1.791 117.465 115.700 -0.044 0.000 2.502 229 S HA 0.853 5.323 4.470 -0.000 0.000 0.304 229 S C -0.834 173.709 174.600 -0.094 0.000 1.097 229 S CA -0.460 57.763 58.200 0.038 0.000 1.045 229 S CB 0.737 63.967 63.200 0.050 0.000 1.019 229 S HN 0.552 nan 8.310 nan 0.000 0.481 230 Y N 0.395 120.762 120.300 0.111 0.000 2.782 230 Y HA 0.463 5.013 4.550 -0.000 0.000 0.329 230 Y C 0.368 176.306 175.900 0.063 0.000 1.192 230 Y CA -1.161 56.992 58.100 0.088 0.000 1.216 230 Y CB 0.476 39.004 38.460 0.114 0.000 1.447 230 Y HN 0.545 nan 8.280 nan 0.000 0.616 231 D N 1.864 122.412 120.400 0.246 0.000 2.339 231 D HA 0.058 4.698 4.640 -0.000 0.000 0.256 231 D C -0.308 176.064 176.300 0.118 0.000 1.214 231 D CA 0.476 54.557 54.000 0.135 0.000 0.877 231 D CB 0.089 40.949 40.800 0.100 0.000 1.111 231 D HN 0.505 nan 8.370 nan 0.000 0.478 232 N N 0.949 119.701 118.700 0.087 0.000 2.714 232 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 232 N C -0.934 174.622 175.510 0.077 0.000 1.117 232 N CA 0.564 53.650 53.050 0.061 0.000 0.719 232 N CB -0.898 37.613 38.487 0.039 0.000 1.081 232 N HN 0.207 nan 8.380 nan 0.000 0.557 233 V N -0.935 119.061 119.914 0.137 0.000 2.932 233 V HA 0.917 5.037 4.120 -0.000 0.000 0.307 233 V C -0.359 175.888 176.094 0.255 0.000 1.147 233 V CA -0.463 61.926 62.300 0.148 0.000 0.951 233 V CB 2.301 34.205 31.823 0.135 0.000 1.031 233 V HN 0.346 nan 8.190 nan 0.000 0.426 234 A N 3.094 126.018 122.820 0.173 0.000 2.594 234 A HA 0.950 5.270 4.320 -0.000 0.000 0.295 234 A C -2.248 175.322 177.584 -0.023 0.000 1.071 234 A CA -0.492 51.713 52.037 0.281 0.000 0.685 234 A CB 1.776 20.998 19.000 0.370 0.000 1.285 234 A HN 0.718 nan 8.150 nan 0.000 0.405 235 Y N -0.342 119.951 120.300 -0.012 0.000 2.512 235 Y HA 0.737 5.287 4.550 -0.000 0.000 0.348 235 Y C -0.407 175.183 175.900 -0.517 0.000 0.990 235 Y CA -0.906 56.945 58.100 -0.414 0.000 1.033 235 Y CB 2.421 40.682 38.460 -0.332 0.000 1.259 235 Y HN 0.664 nan 8.280 nan 0.000 0.461 236 L N 3.810 124.560 121.223 -0.788 0.000 2.491 236 L HA 0.520 4.860 4.340 -0.000 0.000 0.267 236 L C -2.030 174.391 176.870 -0.749 0.000 0.971 236 L CA -0.497 53.982 54.840 -0.601 0.000 0.857 236 L CB 0.875 42.621 42.059 -0.521 0.000 1.226 236 L HN 0.583 nan 8.230 nan 0.000 0.408 237 F N 3.339 123.082 119.950 -0.346 0.000 2.388 237 F HA 0.272 4.799 4.527 -0.000 0.000 0.358 237 F C 1.211 176.847 175.800 -0.273 0.000 1.122 237 F CA -0.676 57.154 58.000 -0.284 0.000 1.056 237 F CB 1.265 40.069 39.000 -0.327 0.000 1.155 237 F HN 0.502 nan 8.300 nan 0.000 0.461 238 D N -0.124 120.224 120.400 -0.087 0.000 2.350 238 D HA 0.043 4.683 4.640 -0.000 0.000 0.213 238 D C 0.507 176.839 176.300 0.053 0.000 1.031 238 D CA 0.442 54.378 54.000 -0.107 0.000 0.861 238 D CB 0.309 40.984 40.800 -0.208 0.000 0.926 238 D HN 0.431 nan 8.370 nan 0.000 0.520 239 S N -1.595 114.124 115.700 0.031 0.000 2.790 239 S HA 0.461 4.931 4.470 -0.000 0.000 0.292 239 S C -0.351 174.228 174.600 -0.035 0.000 1.197 239 S CA -0.843 57.320 58.200 -0.061 0.000 0.851 239 S CB -0.101 63.112 63.200 0.022 0.000 1.217 239 S HN -0.058 nan 8.310 nan 0.000 0.526 240 F N 1.067 121.068 119.950 0.085 0.000 2.727 240 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 240 F C 2.268 178.036 175.800 -0.053 0.000 1.097 240 F CA 0.502 58.454 58.000 -0.080 0.000 1.330 240 F CB 0.756 39.668 39.000 -0.146 0.000 1.084 240 F HN 0.846 nan 8.300 nan 0.000 0.578 241 T N -3.439 111.236 114.554 0.201 0.000 3.004 241 T HA 0.214 4.564 4.350 -0.000 0.000 0.266 241 T C 0.248 175.051 174.700 0.173 0.000 0.986 241 T CA -0.171 62.022 62.100 0.155 0.000 0.902 241 T CB 0.358 69.290 68.868 0.108 0.000 1.118 241 T HN 0.179 nan 8.240 nan 0.000 0.522 242 Q N -0.702 119.223 119.800 0.207 0.000 2.416 242 Q HA 0.643 4.983 4.340 -0.000 0.000 0.281 242 Q C -1.148 174.964 176.000 0.186 0.000 1.067 242 Q CA -0.766 55.132 55.803 0.158 0.000 0.809 242 Q CB 1.993 30.770 28.738 0.064 0.000 1.418 242 Q HN 0.462 nan 8.270 nan 0.000 0.411 243 G N 1.389 110.182 108.800 -0.012 0.000 2.548 243 G HA2 0.477 4.437 3.960 -0.000 0.000 0.301 243 G HA3 0.477 4.437 3.960 -0.000 0.000 0.301 243 G C -1.736 172.868 174.900 -0.492 0.000 1.349 243 G CA -0.645 44.249 45.100 -0.343 0.000 0.792 243 G HN 0.459 nan 8.290 nan 0.000 0.481 247 R N 3.001 123.517 120.500 0.028 0.000 2.566 247 R HA 0.352 4.692 4.340 -0.000 0.000 0.271 247 R C -0.065 176.236 176.300 0.002 0.000 1.071 247 R CA -0.328 55.764 56.100 -0.014 0.000 0.915 247 R CB 1.149 31.406 30.300 -0.072 0.000 1.228 247 R HN 0.385 nan 8.270 nan 0.000 0.449 248 D N 2.779 123.180 120.400 0.002 0.000 2.837 248 D HA -0.225 4.415 4.640 -0.000 0.000 0.230 248 D C -0.339 175.959 176.300 -0.002 0.000 1.152 248 D CA 1.625 55.624 54.000 -0.002 0.000 0.736 248 D CB -0.862 39.936 40.800 -0.004 0.000 1.084 248 D HN 0.903 nan 8.370 nan 0.000 0.429 249 N N -0.523 118.176 118.700 -0.002 0.000 2.741 249 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 249 N C -0.792 174.722 175.510 0.006 0.000 1.115 249 N CA 1.662 54.703 53.050 -0.015 0.000 0.724 249 N CB -0.343 38.127 38.487 -0.028 0.000 1.090 249 N HN 0.599 nan 8.380 nan 0.000 0.558 250 Q N -0.133 119.688 119.800 0.035 0.000 2.413 250 Q HA 0.447 4.787 4.340 -0.000 0.000 0.276 250 Q C -0.820 175.240 176.000 0.101 0.000 1.099 250 Q CA -0.817 55.012 55.803 0.044 0.000 0.814 250 Q CB 2.245 30.989 28.738 0.011 0.000 1.379 250 Q HN 0.321 nan 8.270 nan 0.000 0.436 251 E N 1.164 121.424 120.200 0.100 0.000 2.187 251 E HA 0.518 4.868 4.350 -0.000 0.000 0.268 251 E C -1.426 175.137 176.600 -0.061 0.000 0.896 251 E CA -0.422 56.026 56.400 0.080 0.000 0.766 251 E CB 1.297 31.124 29.700 0.212 0.000 1.142 251 E HN 0.646 nan 8.360 nan 0.000 0.408 252 S N 3.572 119.167 115.700 -0.175 0.000 2.595 252 S HA 0.518 4.988 4.470 -0.000 0.000 0.281 252 S C -0.727 173.732 174.600 -0.235 0.000 1.117 252 S CA -1.158 56.946 58.200 -0.159 0.000 0.873 252 S CB 1.641 64.768 63.200 -0.121 0.000 1.108 252 S HN 0.629 nan 8.310 nan 0.000 0.477 253 R N 0.876 121.276 120.500 -0.168 0.000 2.312 253 R HA 0.664 5.004 4.340 -0.000 0.000 0.311 253 R C -0.773 175.446 176.300 -0.135 0.000 1.004 253 R CA -0.661 55.334 56.100 -0.174 0.000 0.902 253 R CB 0.921 31.156 30.300 -0.109 0.000 1.073 253 R HN 0.777 nan 8.270 nan 0.000 0.457 254 V N 1.066 120.882 119.914 -0.164 0.000 2.555 254 V HA 0.983 5.103 4.120 -0.000 0.000 0.302 254 V C -0.532 175.594 176.094 0.054 0.000 1.038 254 V CA -0.518 61.735 62.300 -0.079 0.000 0.887 254 V CB 1.172 32.802 31.823 -0.322 0.000 0.991 254 V HN 1.014 nan 8.190 nan 0.000 0.434 255 A N 3.840 126.745 122.820 0.141 0.000 2.588 255 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 255 A C -1.521 176.166 177.584 0.171 0.000 1.136 255 A CA -0.822 51.310 52.037 0.158 0.000 0.681 255 A CB 1.468 20.522 19.000 0.090 0.000 1.282 255 A HN 0.952 nan 8.150 nan 0.000 0.421 256 L N 1.090 122.396 121.223 0.138 0.000 2.350 256 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 256 L C 0.588 177.513 176.870 0.092 0.000 1.099 256 L CA 0.111 55.017 54.840 0.110 0.000 0.808 256 L CB 0.677 42.788 42.059 0.087 0.000 1.149 256 L HN 0.694 nan 8.230 nan 0.000 0.442 257 K N 1.766 122.220 120.400 0.089 0.000 2.485 257 K HA -0.032 4.287 4.320 -0.000 0.000 0.277 257 K C -0.326 176.338 176.600 0.107 0.000 0.990 257 K CA -0.107 56.236 56.287 0.094 0.000 0.994 257 K CB 0.225 32.779 32.500 0.090 0.000 0.906 257 K HN 0.559 nan 8.250 nan 0.000 0.488 258 D N 0.817 121.291 120.400 0.123 0.000 2.390 258 D HA -0.131 4.509 4.640 -0.000 0.000 0.236 258 D C -0.180 176.272 176.300 0.254 0.000 1.189 258 D CA 0.603 54.676 54.000 0.122 0.000 0.887 258 D CB 0.297 41.182 40.800 0.142 0.000 1.198 258 D HN 0.574 nan 8.370 nan 0.000 0.444 259 W N -0.441 120.864 121.300 0.008 0.000 2.560 259 W HA -0.233 4.427 4.660 -0.000 0.000 0.279 259 W C 0.108 176.626 176.519 -0.002 0.000 1.090 259 W CA 0.603 57.948 57.345 0.001 0.000 0.535 259 W CB -2.351 27.107 29.460 -0.004 0.000 2.121 259 W HN 0.270 nan 8.180 nan 0.000 1.314 260 T N 2.215 116.847 114.554 0.131 0.000 2.737 260 T HA 0.288 4.638 4.350 -0.000 0.000 0.296 260 T C -0.446 174.284 174.700 0.051 0.000 0.922 260 T CA -0.814 61.340 62.100 0.090 0.000 1.079 260 T CB 0.803 69.709 68.868 0.063 0.000 0.892 260 T HN -0.077 nan 8.240 nan 0.000 0.514 264 A N 0.788 123.634 122.820 0.043 0.000 1.897 264 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 264 A C 2.333 179.906 177.584 -0.018 0.000 1.181 264 A CA 1.998 54.052 52.037 0.029 0.000 0.620 264 A CB -0.438 18.574 19.000 0.021 0.000 0.821 264 A HN 0.483 nan 8.150 nan 0.000 0.443 265 S N 0.373 116.056 115.700 -0.028 0.000 2.382 265 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 265 S C 1.564 176.018 174.600 -0.243 0.000 1.027 265 S CA 1.425 59.578 58.200 -0.078 0.000 0.991 265 S CB -0.443 62.755 63.200 -0.004 0.000 0.823 265 S HN 0.569 nan 8.310 nan 0.000 0.469 266 K N 1.134 121.398 120.400 -0.227 0.000 2.551 266 K HA 0.190 4.510 4.320 -0.000 0.000 0.192 266 K C 1.287 177.599 176.600 -0.481 0.000 1.027 266 K CA 0.407 56.400 56.287 -0.492 0.000 1.059 266 K CB -0.474 31.959 32.500 -0.111 0.000 0.831 266 K HN 0.634 nan 8.250 nan 0.000 0.508 267 G N 0.884 109.510 108.800 -0.291 0.000 2.159 267 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 267 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 267 G C 0.643 175.419 174.900 -0.207 0.000 0.977 267 G CA 0.072 45.033 45.100 -0.232 0.000 0.652 267 G HN 0.306 nan 8.290 nan 0.000 0.531 268 F N 1.033 120.927 119.950 -0.092 0.000 2.186 268 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 268 F C 2.459 178.247 175.800 -0.020 0.000 1.090 268 F CA 1.664 59.605 58.000 -0.099 0.000 1.307 268 F CB -0.165 38.698 39.000 -0.228 0.000 1.019 268 F HN 0.133 nan 8.300 nan 0.000 0.489 269 D N 0.527 121.027 120.400 0.167 0.000 2.084 269 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 269 D C 1.557 177.959 176.300 0.170 0.000 0.990 269 D CA 1.268 55.381 54.000 0.189 0.000 0.826 269 D CB -0.779 40.092 40.800 0.119 0.000 0.971 269 D HN 0.164 nan 8.370 nan 0.000 0.453 273 Q N 1.664 121.474 119.800 0.017 0.000 2.062 273 Q HA -0.286 4.054 4.340 -0.000 0.000 0.209 273 Q C 1.738 177.689 176.000 -0.082 0.000 0.996 273 Q CA 2.934 58.763 55.803 0.043 0.000 0.859 273 Q CB -0.505 28.348 28.738 0.192 0.000 0.920 273 Q HN 0.692 nan 8.270 nan 0.000 0.415 274 D N -0.801 119.550 120.400 -0.081 0.000 2.087 274 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 274 D C 1.616 177.836 176.300 -0.133 0.000 0.993 274 D CA 1.499 55.467 54.000 -0.054 0.000 0.828 274 D CB -0.761 40.020 40.800 -0.032 0.000 0.968 274 D HN 0.595 nan 8.370 nan 0.000 0.448 275 W N 1.471 122.427 121.300 -0.572 0.000 2.290 275 W HA -0.281 4.379 4.660 -0.000 0.000 0.311 275 W C 1.884 178.147 176.519 -0.426 0.000 1.238 275 W CA 0.886 57.760 57.345 -0.785 0.000 1.255 275 W CB -0.388 28.626 29.460 -0.744 0.000 1.145 275 W HN 0.038 nan 8.180 nan 0.000 0.506 276 L N 0.608 121.434 121.223 -0.662 0.000 2.027 276 L HA -0.239 4.101 4.340 -0.000 0.000 0.206 276 L C 2.787 179.368 176.870 -0.481 0.000 1.074 276 L CA 1.511 55.885 54.840 -0.777 0.000 0.745 276 L CB -1.201 40.443 42.059 -0.691 0.000 0.898 276 L HN 0.026 nan 8.230 nan 0.000 0.433 277 Q N -0.568 119.064 119.800 -0.279 0.000 2.364 277 Q HA -0.148 4.192 4.340 -0.000 0.000 0.209 277 Q C 2.164 178.095 176.000 -0.114 0.000 0.977 277 Q CA 1.026 56.742 55.803 -0.145 0.000 0.885 277 Q CB 0.015 28.723 28.738 -0.049 0.000 0.941 277 Q HN 0.406 nan 8.270 nan 0.000 0.464 278 V N -0.175 119.655 119.914 -0.140 0.000 2.685 278 V HA -0.054 4.066 4.120 -0.000 0.000 0.244 278 V C 2.076 178.085 176.094 -0.142 0.000 1.054 278 V CA 1.312 63.595 62.300 -0.028 0.000 1.076 278 V CB -0.400 31.538 31.823 0.192 0.000 0.725 278 V HN 0.309 nan 8.190 nan 0.000 0.467 279 A N 0.425 122.974 122.820 -0.450 0.000 1.873 279 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 279 A C 2.395 179.801 177.584 -0.295 0.000 1.186 279 A CA 2.033 53.756 52.037 -0.524 0.000 0.616 279 A CB -0.739 17.616 19.000 -1.075 0.000 0.823 279 A HN 0.524 nan 8.150 nan 0.000 0.442 280 A N -0.175 122.472 122.820 -0.288 0.000 1.873 280 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 280 A C 2.432 179.955 177.584 -0.102 0.000 1.186 280 A CA 1.969 53.900 52.037 -0.177 0.000 0.616 280 A CB -0.953 17.947 19.000 -0.167 0.000 0.823 280 A HN 1.092 nan 8.150 nan 0.000 0.442 281 A N -1.895 120.875 122.820 -0.083 0.000 2.119 281 A HA 0.336 4.656 4.320 -0.000 0.000 0.217 281 A C 2.192 179.771 177.584 -0.009 0.000 1.153 281 A CA 1.453 53.471 52.037 -0.031 0.000 0.692 281 A CB -1.085 17.911 19.000 -0.007 0.000 0.799 281 A HN 1.875 nan 8.150 nan 0.000 0.458 282 G N -0.933 107.856 108.800 -0.017 0.000 2.270 282 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.268 282 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.268 282 G C 0.332 175.270 174.900 0.063 0.000 0.982 282 G CA 1.126 46.239 45.100 0.021 0.000 0.628 282 G HN 0.641 nan 8.290 nan 0.000 0.544 283 K N -0.406 120.032 120.400 0.063 0.000 2.221 283 K HA 0.708 5.028 4.320 -0.000 0.000 0.258 283 K C -0.966 175.704 176.600 0.117 0.000 0.944 283 K CA -0.999 55.341 56.287 0.088 0.000 0.823 283 K CB 2.428 34.969 32.500 0.068 0.000 1.113 283 K HN 0.116 nan 8.250 nan 0.000 0.431 284 L N 4.940 126.245 121.223 0.136 0.000 2.319 284 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 284 L C -2.357 174.574 176.870 0.101 0.000 1.005 284 L CA -1.992 52.940 54.840 0.153 0.000 0.828 284 L CB 0.811 42.985 42.059 0.192 0.000 1.227 284 L HN 0.485 nan 8.230 nan 0.000 0.415 285 P HA -0.014 nan 4.420 nan 0.000 0.264 285 P C 0.434 177.742 177.300 0.014 0.000 1.173 285 P CA 0.151 63.304 63.100 0.088 0.000 0.761 285 P CB 0.427 32.222 31.700 0.158 0.000 0.794 286 T N 1.814 116.424 114.554 0.094 0.000 2.607 286 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 286 T C 1.721 176.429 174.700 0.014 0.000 1.049 286 T CA 2.066 64.202 62.100 0.059 0.000 1.162 286 T CB -1.020 67.902 68.868 0.090 0.000 0.863 286 T HN 0.680 nan 8.240 nan 0.000 0.424 287 H N 1.374 120.448 119.070 0.007 0.000 2.426 287 H HA -0.036 4.520 4.556 -0.000 0.000 0.298 287 H C 2.196 177.513 175.328 -0.017 0.000 1.107 287 H CA 1.376 57.421 56.048 -0.005 0.000 1.298 287 H CB -1.000 28.767 29.762 0.009 0.000 1.377 287 H HN 0.387 nan 8.280 nan 0.000 0.519 288 I N 0.812 120.974 120.570 -0.679 0.000 2.252 288 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 288 I C 2.692 178.673 176.117 -0.228 0.000 1.102 288 I CA 1.070 62.111 61.300 -0.433 0.000 1.385 288 I CB -0.184 37.583 38.000 -0.389 0.000 1.064 288 I HN 0.158 nan 8.210 nan 0.000 0.414 289 I N 0.633 121.084 120.570 -0.199 0.000 2.252 289 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 289 I C 2.389 178.319 176.117 -0.311 0.000 1.102 289 I CA 1.372 62.509 61.300 -0.272 0.000 1.385 289 I CB -0.406 37.466 38.000 -0.213 0.000 1.064 289 I HN 0.236 nan 8.210 nan 0.000 0.414 290 E N 0.580 120.672 120.200 -0.180 0.000 2.110 290 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 290 E C 2.237 178.770 176.600 -0.112 0.000 0.988 290 E CA 0.891 57.212 56.400 -0.132 0.000 0.804 290 E CB -0.162 29.506 29.700 -0.053 0.000 0.745 290 E HN 0.401 nan 8.360 nan 0.000 0.458 291 R N 1.015 121.456 120.500 -0.099 0.000 2.062 291 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 291 R C 2.018 178.278 176.300 -0.066 0.000 1.136 291 R CA 1.465 57.517 56.100 -0.079 0.000 0.948 291 R CB -0.010 30.241 30.300 -0.082 0.000 0.845 291 R HN 0.090 nan 8.270 nan 0.000 0.430 292 N N 1.024 119.698 118.700 -0.044 0.000 2.069 292 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 292 N C 1.787 177.403 175.510 0.175 0.000 1.031 292 N CA 1.163 54.289 53.050 0.128 0.000 0.852 292 N CB -0.476 38.090 38.487 0.131 0.000 1.018 292 N HN 0.145 nan 8.380 nan 0.000 0.423 293 L N 1.368 122.550 121.223 -0.068 0.000 1.970 293 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 293 L C 2.299 179.195 176.870 0.042 0.000 1.071 293 L CA 1.824 56.638 54.840 -0.042 0.000 0.751 293 L CB -1.131 40.813 42.059 -0.191 0.000 0.889 293 L HN 0.181 nan 8.230 nan 0.000 0.432 294 A N -1.605 121.198 122.820 -0.028 0.000 1.915 294 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 294 A C 2.432 179.987 177.584 -0.048 0.000 1.198 294 A CA 2.570 54.579 52.037 -0.046 0.000 0.647 294 A CB -1.200 17.757 19.000 -0.072 0.000 0.825 294 A HN 0.540 nan 8.150 nan 0.000 0.456 295 S N -1.223 114.445 115.700 -0.053 0.000 2.382 295 S HA -0.165 4.304 4.470 -0.000 0.000 0.228 295 S C 1.783 176.296 174.600 -0.145 0.000 1.027 295 S CA 1.711 59.825 58.200 -0.143 0.000 0.991 295 S CB -0.489 62.559 63.200 -0.254 0.000 0.823 295 S HN 0.809 nan 8.310 nan 0.000 0.469 296 H N 1.168 120.243 119.070 0.007 0.000 2.462 296 H HA 0.099 4.655 4.556 -0.000 0.000 0.292 296 H C 2.374 177.739 175.328 0.061 0.000 1.049 296 H CA 1.054 57.144 56.048 0.071 0.000 1.334 296 H CB -0.005 29.864 29.762 0.179 0.000 1.404 296 H HN 0.431 nan 8.280 nan 0.000 0.544 297 Q N 0.057 119.934 119.800 0.129 0.000 2.049 297 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 297 Q C 2.199 178.201 176.000 0.003 0.000 0.971 297 Q CA 0.836 56.681 55.803 0.071 0.000 0.833 297 Q CB -0.015 28.737 28.738 0.024 0.000 0.896 297 Q HN 0.436 nan 8.270 nan 0.000 0.434 298 L N 0.495 121.682 121.223 -0.059 0.000 2.083 298 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 298 L C 2.309 179.119 176.870 -0.100 0.000 1.083 298 L CA 0.972 55.751 54.840 -0.102 0.000 0.752 298 L CB -0.365 41.602 42.059 -0.153 0.000 0.899 298 L HN 0.232 nan 8.230 nan 0.000 0.433 299 A N -0.480 122.236 122.820 -0.174 0.000 1.865 299 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 299 A C 2.128 179.545 177.584 -0.278 0.000 1.191 299 A CA 1.677 53.485 52.037 -0.383 0.000 0.623 299 A CB -0.576 17.895 19.000 -0.882 0.000 0.826 299 A HN 0.409 nan 8.150 nan 0.000 0.444 300 E N -0.165 120.027 120.200 -0.012 0.000 2.049 300 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 300 E C 2.432 179.085 176.600 0.089 0.000 1.007 300 E CA 1.359 57.906 56.400 0.246 0.000 0.809 300 E CB -0.659 29.213 29.700 0.287 0.000 0.749 300 E HN 0.527 nan 8.360 nan 0.000 0.450 301 A N 1.376 124.214 122.820 0.030 0.000 1.884 301 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 301 A C 2.372 179.946 177.584 -0.016 0.000 1.197 301 A CA 1.884 53.921 52.037 0.000 0.000 0.637 301 A CB -0.917 18.067 19.000 -0.028 0.000 0.827 301 A HN 0.264 nan 8.150 nan 0.000 0.450 302 I N -0.963 119.584 120.570 -0.038 0.000 2.361 302 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 302 I C 2.551 178.615 176.117 -0.090 0.000 1.133 302 I CA 0.980 62.242 61.300 -0.064 0.000 1.413 302 I CB -0.506 37.452 38.000 -0.071 0.000 1.073 302 I HN 0.430 nan 8.210 nan 0.000 0.424 303 C N 0.389 119.666 119.300 -0.039 0.000 2.541 303 C HA -0.142 4.318 4.460 -0.000 0.000 0.282 303 C C 2.900 177.871 174.990 -0.031 0.000 1.263 303 C CA 0.776 59.785 59.018 -0.014 0.000 1.709 303 C CB -0.947 26.881 27.740 0.148 0.000 2.097 303 C HN 0.497 nan 8.230 nan 0.000 0.480 304 Q N 0.147 119.953 119.800 0.011 0.000 2.096 304 Q HA -0.299 4.041 4.340 -0.000 0.000 0.204 304 Q C 2.154 178.139 176.000 -0.025 0.000 0.982 304 Q CA 1.991 57.793 55.803 -0.002 0.000 0.850 304 Q CB -0.372 28.376 28.738 0.017 0.000 0.901 304 Q HN 0.644 nan 8.270 nan 0.000 0.422 305 Q N 1.153 120.937 119.800 -0.027 0.000 2.061 305 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 305 Q C 1.753 177.726 176.000 -0.045 0.000 0.984 305 Q CA 1.701 57.491 55.803 -0.022 0.000 0.846 305 Q CB -0.267 28.463 28.738 -0.013 0.000 0.902 305 Q HN 0.455 nan 8.270 nan 0.000 0.421 306 I N -0.368 120.119 120.570 -0.138 0.000 2.163 306 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 306 I C 2.042 178.039 176.117 -0.200 0.000 1.081 306 I CA 1.573 62.693 61.300 -0.300 0.000 1.353 306 I CB -0.648 36.998 38.000 -0.590 0.000 1.054 306 I HN 0.231 nan 8.210 nan 0.000 0.407 307 T N 0.116 114.581 114.554 -0.148 0.000 2.778 307 T HA -0.296 4.054 4.350 -0.000 0.000 0.269 307 T C 1.804 176.471 174.700 -0.055 0.000 1.050 307 T CA 1.502 63.545 62.100 -0.095 0.000 1.137 307 T CB -0.299 68.533 68.868 -0.060 0.000 0.860 307 T HN 0.417 nan 8.240 nan 0.000 0.468 308 Q N 0.543 120.321 119.800 -0.037 0.000 2.020 308 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 308 Q C 2.497 178.498 176.000 0.001 0.000 0.974 308 Q CA 1.167 56.962 55.803 -0.013 0.000 0.829 308 Q CB -0.059 28.676 28.738 -0.004 0.000 0.894 308 Q HN 0.620 nan 8.270 nan 0.000 0.433 309 Q N -0.395 119.416 119.800 0.020 0.000 2.084 309 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 309 Q C 2.117 178.145 176.000 0.047 0.000 0.978 309 Q CA 1.594 57.429 55.803 0.054 0.000 0.844 309 Q CB -0.018 28.797 28.738 0.127 0.000 0.898 309 Q HN 0.258 nan 8.270 nan 0.000 0.426 310 V N 0.646 120.575 119.914 0.024 0.000 2.759 310 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 310 V C 1.871 177.961 176.094 -0.006 0.000 1.080 310 V CA 1.876 64.180 62.300 0.007 0.000 1.101 310 V CB -0.437 31.358 31.823 -0.048 0.000 0.698 310 V HN 0.398 nan 8.190 nan 0.000 0.477 311 T N -1.435 113.113 114.554 -0.009 0.000 3.031 311 T HA 0.075 4.425 4.350 -0.000 0.000 0.254 311 T C 1.049 175.748 174.700 -0.002 0.000 1.060 311 T CA 0.297 62.391 62.100 -0.009 0.000 1.135 311 T CB 0.207 69.067 68.868 -0.013 0.000 0.896 311 T HN 0.414 nan 8.240 nan 0.000 0.472 312 K N 0.000 120.402 120.400 0.004 0.000 2.780 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 312 K CA 0.000 56.291 56.287 0.006 0.000 0.838 312 K CB 0.000 32.506 32.500 0.010 0.000 1.064 312 K HN 0.000 nan 8.250 nan 0.000 0.543