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 1iz0_1_A DATA FIRST_RESID 2 DATA SEQUENCE KAWVLKRLGG PLELVDLPEP EAEEGEVVLR VEAVGLNFAD HLXRLGAYLT DATA SEQUENCE RLHPPFIPGX EVVGVVEGRR YAALVPQGGL AERVAVPKGA LLPLPEGLSP DATA SEQUENCE EEAAAFPVSF LTAYLALKRA QARPGEKVLV QAAAGALGTA AVQVARAXGL DATA SEQUENCE RVLAAASRPE KLALPLALGA EEAATYAEVP ERAKAWGGLD LVLEVRGKEV DATA SEQUENCE EESLGLLAHG GRLVYIXXXX XXXAPIPPLR LXRRNLAVLG FWLTPLLREG DATA SEQUENCE ALVEEALGFL LPRLGRELRP VVGPVFPFAE AEAAFRALLD RGHTGKVVVR DATA SEQUENCE L 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.641 176.600 0.068 0.000 0.988 2 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 2 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 3 A N 1.242 124.098 122.820 0.060 0.000 2.599 3 A HA 0.626 4.946 4.320 -0.001 0.000 0.294 3 A C -2.382 175.168 177.584 -0.055 0.000 1.055 3 A CA -1.012 51.119 52.037 0.156 0.000 0.683 3 A CB 0.815 19.895 19.000 0.134 0.000 1.278 3 A HN 0.603 nan 8.150 nan 0.000 0.412 4 W N 1.111 122.478 121.300 0.112 0.000 2.361 4 W HA 0.576 5.235 4.660 -0.002 0.000 0.309 4 W C -0.350 176.163 176.519 -0.011 0.000 1.122 4 W CA -0.244 57.092 57.345 -0.014 0.000 1.208 4 W CB 1.981 31.389 29.460 -0.086 0.000 1.246 4 W HN 0.492 nan 8.180 nan 0.000 0.490 5 V N 5.477 125.493 119.914 0.171 0.000 2.656 5 V HA 0.372 4.491 4.120 -0.001 0.000 0.307 5 V C -0.598 175.451 176.094 -0.075 0.000 1.051 5 V CA -1.229 61.089 62.300 0.030 0.000 0.893 5 V CB 1.951 33.776 31.823 0.004 0.000 0.999 5 V HN 0.340 nan 8.190 nan 0.000 0.426 6 L N 4.757 125.812 121.223 -0.280 0.000 2.277 6 L HA 0.495 4.834 4.340 -0.001 0.000 0.284 6 L C 0.779 177.431 176.870 -0.364 0.000 1.028 6 L CA -0.040 54.559 54.840 -0.401 0.000 0.835 6 L CB 1.278 42.910 42.059 -0.712 0.000 1.215 6 L HN 0.748 nan 8.230 nan 0.000 0.425 7 K N 4.063 124.341 120.400 -0.204 0.000 2.361 7 K HA 0.177 4.496 4.320 -0.001 0.000 0.196 7 K C -0.079 176.451 176.600 -0.117 0.000 1.039 7 K CA 0.416 56.623 56.287 -0.133 0.000 1.001 7 K CB 0.559 33.012 32.500 -0.078 0.000 0.795 7 K HN 0.512 nan 8.250 nan 0.000 0.495 8 R N 0.773 121.189 120.500 -0.140 0.000 2.584 8 R HA 0.242 4.582 4.340 -0.001 0.000 0.276 8 R C -1.366 174.864 176.300 -0.118 0.000 1.046 8 R CA -0.983 55.057 56.100 -0.100 0.000 0.906 8 R CB 1.416 31.671 30.300 -0.075 0.000 1.215 8 R HN -0.137 nan 8.270 nan 0.000 0.449 9 L N 1.792 122.972 121.223 -0.071 0.000 2.490 9 L HA 0.125 4.464 4.340 -0.001 0.000 0.274 9 L C 1.530 178.349 176.870 -0.086 0.000 1.201 9 L CA 1.796 56.598 54.840 -0.063 0.000 0.869 9 L CB 0.388 42.444 42.059 -0.006 0.000 1.123 9 L HN 1.024 nan 8.230 nan 0.000 0.484 10 G N 2.091 110.819 108.800 -0.120 0.000 2.184 10 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.264 10 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.264 10 G C 0.598 175.429 174.900 -0.115 0.000 0.975 10 G CA 0.284 45.315 45.100 -0.115 0.000 0.642 10 G HN 1.100 nan 8.290 nan 0.000 0.536 11 G N -0.017 108.705 108.800 -0.131 0.000 2.557 11 G HA2 0.777 4.736 3.960 -0.001 0.000 0.302 11 G HA3 0.777 4.736 3.960 -0.001 0.000 0.302 11 G C -1.808 173.001 174.900 -0.151 0.000 1.311 11 G CA -0.392 44.636 45.100 -0.120 0.000 1.030 11 G HN 0.348 nan 8.290 nan 0.000 0.509 12 P HA 0.409 nan 4.420 nan 0.000 0.280 12 P C -0.521 176.702 177.300 -0.128 0.000 1.272 12 P CA -0.549 62.474 63.100 -0.127 0.000 0.819 12 P CB 1.584 33.242 31.700 -0.070 0.000 1.122 13 L N 0.198 121.347 121.223 -0.122 0.000 2.421 13 L HA 0.442 4.782 4.340 -0.001 0.000 0.263 13 L C 0.882 177.883 176.870 0.218 0.000 1.122 13 L CA -0.327 54.503 54.840 -0.016 0.000 0.804 13 L CB 0.540 42.515 42.059 -0.141 0.000 1.150 13 L HN 0.465 nan 8.230 nan 0.000 0.457 14 E N 2.067 122.442 120.200 0.292 0.000 2.246 14 E HA 0.233 4.582 4.350 -0.001 0.000 0.266 14 E C -1.520 175.036 176.600 -0.073 0.000 0.880 14 E CA -0.797 55.700 56.400 0.163 0.000 0.762 14 E CB 2.029 31.745 29.700 0.027 0.000 1.180 14 E HN 0.348 nan 8.360 nan 0.000 0.416 15 L N 6.036 126.965 121.223 -0.489 0.000 2.369 15 L HA 0.367 4.706 4.340 -0.001 0.000 0.279 15 L C -1.226 175.412 176.870 -0.386 0.000 1.108 15 L CA 0.207 54.491 54.840 -0.926 0.000 0.852 15 L CB 0.590 42.015 42.059 -1.056 0.000 1.169 15 L HN 0.425 nan 8.230 nan 0.000 0.452 16 V N 4.497 124.241 119.914 -0.284 0.000 3.102 16 V HA 0.466 4.585 4.120 -0.001 0.000 0.312 16 V C -0.606 175.431 176.094 -0.094 0.000 1.135 16 V CA -1.060 61.156 62.300 -0.139 0.000 1.022 16 V CB 2.657 34.431 31.823 -0.082 0.000 1.056 16 V HN 0.613 nan 8.190 nan 0.000 0.436 17 D N 2.393 122.758 120.400 -0.059 0.000 2.232 17 D HA 0.634 5.274 4.640 -0.001 0.000 0.242 17 D C -0.804 175.484 176.300 -0.020 0.000 1.093 17 D CA 0.044 54.022 54.000 -0.037 0.000 0.845 17 D CB 1.979 42.760 40.800 -0.032 0.000 1.124 17 D HN 0.232 nan 8.370 nan 0.000 0.467 18 L N 2.115 123.333 121.223 -0.008 0.000 2.327 18 L HA 0.453 4.792 4.340 -0.001 0.000 0.258 18 L C -2.199 174.674 176.870 0.006 0.000 1.024 18 L CA -1.883 52.960 54.840 0.005 0.000 0.825 18 L CB 1.743 43.814 42.059 0.020 0.000 1.386 18 L HN 0.096 nan 8.230 nan 0.000 0.417 19 P HA 0.126 nan 4.420 nan 0.000 0.272 19 P C -0.922 176.385 177.300 0.012 0.000 1.223 19 P CA -0.507 62.598 63.100 0.009 0.000 0.784 19 P CB 0.409 32.115 31.700 0.011 0.000 0.923 20 E N 2.424 122.628 120.200 0.008 0.000 2.414 20 E HA 0.095 4.444 4.350 -0.001 0.000 0.263 20 E C -1.913 174.695 176.600 0.014 0.000 1.000 20 E CA -1.147 55.259 56.400 0.009 0.000 0.914 20 E CB -0.587 29.116 29.700 0.004 0.000 0.948 20 E HN 0.327 nan 8.360 nan 0.000 0.444 21 P HA 0.111 nan 4.420 nan 0.000 0.268 21 P C -0.512 176.797 177.300 0.015 0.000 1.205 21 P CA 0.344 63.456 63.100 0.021 0.000 0.771 21 P CB 0.449 32.164 31.700 0.026 0.000 0.858 22 E N 1.367 121.575 120.200 0.014 0.000 2.129 22 E HA 0.585 4.934 4.350 -0.001 0.000 0.268 22 E C -0.257 176.348 176.600 0.009 0.000 0.900 22 E CA -0.954 55.452 56.400 0.010 0.000 0.755 22 E CB 1.174 30.880 29.700 0.010 0.000 1.117 22 E HN 0.616 nan 8.360 nan 0.000 0.410 23 A N 2.483 125.306 122.820 0.006 0.000 2.444 23 A HA 0.592 4.912 4.320 -0.001 0.000 0.273 23 A C 0.782 178.366 177.584 0.001 0.000 1.136 23 A CA 0.424 52.462 52.037 0.002 0.000 0.799 23 A CB -0.620 18.379 19.000 -0.001 0.000 1.081 23 A HN 1.145 nan 8.150 nan 0.000 0.509 24 E N 1.813 122.013 120.200 -0.000 0.000 2.376 24 E HA 0.497 4.846 4.350 -0.001 0.000 0.254 24 E C 0.534 177.131 176.600 -0.004 0.000 1.213 24 E CA 0.053 56.453 56.400 -0.001 0.000 0.945 24 E CB -0.161 29.539 29.700 -0.000 0.000 1.057 24 E HN 1.544 nan 8.360 nan 0.000 0.479 25 E N -0.524 119.673 120.200 -0.004 0.000 2.480 25 E HA 0.407 4.756 4.350 -0.001 0.000 0.258 25 E C 1.321 177.915 176.600 -0.010 0.000 0.984 25 E CA 0.679 57.076 56.400 -0.006 0.000 0.930 25 E CB -0.539 29.158 29.700 -0.005 0.000 0.936 25 E HN 2.274 nan 8.360 nan 0.000 0.466 26 G N 2.023 110.816 108.800 -0.013 0.000 2.175 26 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.244 26 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.244 26 G C 0.255 175.140 174.900 -0.026 0.000 0.982 26 G CA 0.376 45.465 45.100 -0.019 0.000 0.641 26 G HN 0.727 nan 8.290 nan 0.000 0.527 27 E N -0.469 119.717 120.200 -0.022 0.000 2.235 27 E HA 0.674 5.023 4.350 -0.001 0.000 0.265 27 E C 0.053 176.637 176.600 -0.027 0.000 0.940 27 E CA -0.550 55.834 56.400 -0.026 0.000 0.819 27 E CB 2.762 32.453 29.700 -0.015 0.000 1.206 27 E HN 0.744 nan 8.360 nan 0.000 0.409 28 V N -1.849 118.044 119.914 -0.035 0.000 3.001 28 V HA 0.596 4.715 4.120 -0.001 0.000 0.314 28 V C -0.560 175.525 176.094 -0.015 0.000 1.099 28 V CA -0.979 61.304 62.300 -0.029 0.000 0.989 28 V CB 1.768 33.559 31.823 -0.053 0.000 1.040 28 V HN 0.382 nan 8.190 nan 0.000 0.434 29 V N 4.167 124.080 119.914 -0.001 0.000 2.347 29 V HA 0.499 4.618 4.120 -0.001 0.000 0.280 29 V C -0.160 175.946 176.094 0.020 0.000 1.021 29 V CA -0.331 61.975 62.300 0.010 0.000 0.847 29 V CB 0.836 32.666 31.823 0.012 0.000 0.990 29 V HN 0.950 nan 8.190 nan 0.000 0.444 30 L N 4.523 125.762 121.223 0.028 0.000 2.309 30 L HA 0.735 5.074 4.340 -0.001 0.000 0.282 30 L C 0.215 177.111 176.870 0.042 0.000 1.036 30 L CA -0.696 54.172 54.840 0.048 0.000 0.806 30 L CB 1.134 43.233 42.059 0.067 0.000 1.220 30 L HN 0.726 nan 8.230 nan 0.000 0.429 31 R N 2.801 123.325 120.500 0.039 0.000 2.248 31 R HA 0.558 4.898 4.340 -0.001 0.000 0.328 31 R C -0.878 175.439 176.300 0.029 0.000 1.067 31 R CA -0.798 55.315 56.100 0.021 0.000 0.924 31 R CB 0.389 30.694 30.300 0.009 0.000 1.013 31 R HN 0.534 nan 8.270 nan 0.000 0.454 32 V N 3.720 123.650 119.914 0.025 0.000 2.585 32 V HA -0.034 4.085 4.120 -0.001 0.000 0.296 32 V C 1.005 177.114 176.094 0.026 0.000 1.035 32 V CA 0.362 62.686 62.300 0.041 0.000 1.084 32 V CB 0.833 32.691 31.823 0.059 0.000 0.953 32 V HN 0.929 nan 8.190 nan 0.000 0.483 33 E N 2.585 122.813 120.200 0.047 0.000 2.332 33 E HA 0.470 4.819 4.350 -0.001 0.000 0.202 33 E C 0.395 177.035 176.600 0.068 0.000 0.877 33 E CA 0.616 57.041 56.400 0.042 0.000 0.979 33 E CB 1.049 30.770 29.700 0.035 0.000 0.969 33 E HN 0.807 nan 8.360 nan 0.000 0.495 34 A N 0.695 123.565 122.820 0.084 0.000 2.587 34 A HA 0.627 4.946 4.320 -0.001 0.000 0.293 34 A C -1.387 176.264 177.584 0.112 0.000 1.087 34 A CA -0.546 51.552 52.037 0.102 0.000 0.692 34 A CB 1.892 20.944 19.000 0.085 0.000 1.291 34 A HN -0.036 nan 8.150 nan 0.000 0.407 35 V N 0.673 120.658 119.914 0.117 0.000 2.623 35 V HA 0.675 4.794 4.120 -0.001 0.000 0.304 35 V C 0.556 176.690 176.094 0.067 0.000 1.054 35 V CA -0.168 62.194 62.300 0.102 0.000 0.882 35 V CB 1.823 33.721 31.823 0.124 0.000 1.002 35 V HN 1.393 nan 8.190 nan 0.000 0.424 36 G N 4.487 113.324 108.800 0.061 0.000 2.338 36 G HA2 0.654 4.613 3.960 -0.001 0.000 0.298 36 G HA3 0.654 4.613 3.960 -0.001 0.000 0.298 36 G C -0.692 174.204 174.900 -0.008 0.000 1.140 36 G CA -0.469 44.658 45.100 0.045 0.000 0.860 36 G HN 0.583 nan 8.290 nan 0.000 0.470 37 L N 2.353 123.535 121.223 -0.069 0.000 2.343 37 L HA 0.474 4.813 4.340 -0.001 0.000 0.275 37 L C -0.060 176.765 176.870 -0.074 0.000 1.056 37 L CA -0.972 53.769 54.840 -0.166 0.000 0.804 37 L CB 1.388 43.213 42.059 -0.391 0.000 1.203 37 L HN 0.457 nan 8.230 nan 0.000 0.440 38 N N 0.687 119.351 118.700 -0.060 0.000 2.312 38 N HA 0.213 4.952 4.740 -0.001 0.000 0.296 38 N C 0.315 175.864 175.510 0.065 0.000 1.193 38 N CA -0.621 52.448 53.050 0.032 0.000 0.773 38 N CB 2.147 40.659 38.487 0.041 0.000 1.435 38 N HN 0.520 nan 8.380 nan 0.000 0.484 39 F N 2.052 122.003 119.950 0.001 0.000 2.202 39 F HA -0.194 4.333 4.527 -0.001 0.000 0.301 39 F C 2.184 177.997 175.800 0.021 0.000 1.082 39 F CA 1.732 59.753 58.000 0.035 0.000 1.313 39 F CB 0.167 39.192 39.000 0.041 0.000 1.024 39 F HN 0.696 nan 8.300 nan 0.000 0.495 40 A N 0.001 122.783 122.820 -0.064 0.000 1.948 40 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 40 A C 1.990 179.318 177.584 -0.426 0.000 1.177 40 A CA 2.115 53.861 52.037 -0.486 0.000 0.636 40 A CB -0.920 17.734 19.000 -0.577 0.000 0.815 40 A HN 0.469 nan 8.150 nan 0.000 0.449 41 D N -1.540 118.768 120.400 -0.152 0.000 2.144 41 D HA -0.159 4.480 4.640 -0.001 0.000 0.200 41 D C 1.765 178.150 176.300 0.141 0.000 0.978 41 D CA 1.421 55.448 54.000 0.045 0.000 0.833 41 D CB -0.481 40.394 40.800 0.126 0.000 0.961 41 D HN 0.739 nan 8.370 nan 0.000 0.470 42 H N 0.948 119.988 119.070 -0.051 0.000 2.357 42 H HA -0.006 4.549 4.556 -0.001 0.000 0.301 42 H C 1.159 176.341 175.328 -0.244 0.000 1.082 42 H CA 0.480 56.459 56.048 -0.115 0.000 1.342 42 H CB -0.025 29.557 29.762 -0.300 0.000 1.389 42 H HN 0.055 nan 8.280 nan 0.000 0.511 46 L N 0.345 121.471 121.223 -0.161 0.000 2.607 46 L HA 0.338 4.677 4.340 -0.001 0.000 0.228 46 L C 0.969 177.815 176.870 -0.040 0.000 1.123 46 L CA 0.743 55.503 54.840 -0.133 0.000 0.890 46 L CB 0.683 42.619 42.059 -0.205 0.000 1.103 46 L HN 0.463 nan 8.230 nan 0.000 0.468 47 G N 1.032 109.840 108.800 0.013 0.000 2.176 47 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 47 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 47 G C 0.561 175.484 174.900 0.039 0.000 1.024 47 G CA 0.353 45.486 45.100 0.055 0.000 0.755 47 G HN 0.484 nan 8.290 nan 0.000 0.507 48 A N -0.853 121.987 122.820 0.033 0.000 2.574 48 A HA 0.672 4.991 4.320 -0.001 0.000 0.283 48 A C 0.178 177.824 177.584 0.103 0.000 1.270 48 A CA -0.012 52.050 52.037 0.041 0.000 0.945 48 A CB 0.219 19.233 19.000 0.023 0.000 1.127 48 A HN 0.913 nan 8.150 nan 0.000 0.522 49 Y N -0.457 119.811 120.300 -0.054 0.000 2.534 49 Y HA 0.367 4.917 4.550 -0.001 0.000 0.329 49 Y C 1.074 176.896 175.900 -0.130 0.000 1.154 49 Y CA -1.287 56.771 58.100 -0.069 0.000 1.192 49 Y CB 0.815 39.259 38.460 -0.027 0.000 1.275 49 Y HN 0.055 nan 8.280 nan 0.000 0.491 50 L N 1.073 121.646 121.223 -1.083 0.000 2.013 50 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 50 L C 1.170 177.716 176.870 -0.539 0.000 1.073 50 L CA 1.857 56.060 54.840 -1.060 0.000 0.753 50 L CB -2.055 38.723 42.059 -2.136 0.000 0.890 50 L HN 0.727 nan 8.230 nan 0.000 0.432 51 T N -1.579 112.812 114.554 -0.272 0.000 2.806 51 T HA 0.580 4.929 4.350 -0.001 0.000 0.290 51 T C 0.193 174.934 174.700 0.068 0.000 0.966 51 T CA -0.649 61.506 62.100 0.092 0.000 1.060 51 T CB 1.347 70.393 68.868 0.296 0.000 0.927 51 T HN 0.350 nan 8.240 nan 0.000 0.485 52 R N 3.720 124.221 120.500 0.000 0.000 2.272 52 R HA 0.584 4.924 4.340 -0.001 0.000 0.323 52 R C -0.480 175.757 176.300 -0.104 0.000 1.002 52 R CA -0.856 55.242 56.100 -0.003 0.000 0.900 52 R CB 0.124 30.440 30.300 0.027 0.000 1.151 52 R HN 0.740 nan 8.270 nan 0.000 0.507 53 L N 3.132 124.278 121.223 -0.127 0.000 2.305 53 L HA 0.347 4.686 4.340 -0.001 0.000 0.281 53 L C -0.057 176.839 176.870 0.044 0.000 1.085 53 L CA -0.482 54.200 54.840 -0.263 0.000 0.813 53 L CB 1.011 42.613 42.059 -0.761 0.000 1.157 53 L HN 0.788 nan 8.230 nan 0.000 0.436 54 H N 4.877 123.990 119.070 0.071 0.000 2.604 54 H HA 0.250 4.805 4.556 -0.001 0.000 0.306 54 H C -1.925 173.575 175.328 0.287 0.000 1.075 54 H CA -1.846 54.295 56.048 0.154 0.000 1.357 54 H CB 1.001 30.816 29.762 0.087 0.000 1.426 54 H HN 0.458 nan 8.280 nan 0.000 0.470 55 P HA 0.001 nan 4.420 nan 0.000 0.270 55 P C -2.252 175.145 177.300 0.162 0.000 1.223 55 P CA -0.997 62.257 63.100 0.257 0.000 0.785 55 P CB 0.241 31.970 31.700 0.049 0.000 0.923 56 P HA 0.368 nan 4.420 nan 0.000 0.281 56 P C -1.222 176.176 177.300 0.164 0.000 1.249 56 P CA -0.134 62.984 63.100 0.030 0.000 0.810 56 P CB 0.590 32.291 31.700 0.001 0.000 1.008 57 F N -1.145 118.834 119.950 0.047 0.000 2.693 57 F HA 0.558 5.084 4.527 -0.002 0.000 0.309 57 F C -1.333 174.509 175.800 0.070 0.000 1.129 57 F CA -1.417 56.618 58.000 0.057 0.000 0.948 57 F CB 0.782 39.816 39.000 0.057 0.000 1.315 57 F HN 0.017 nan 8.300 nan 0.000 0.447 58 I N 3.436 124.238 120.570 0.388 0.000 2.301 58 I HA 0.331 4.500 4.170 -0.001 0.000 0.292 58 I C -2.253 174.126 176.117 0.437 0.000 1.046 58 I CA -1.842 59.643 61.300 0.308 0.000 1.282 58 I CB 0.924 39.072 38.000 0.245 0.000 1.409 58 I HN 0.338 nan 8.210 nan 0.000 0.484 59 P HA 0.251 nan 4.420 nan 0.000 0.271 59 P C 0.221 177.716 177.300 0.325 0.000 1.244 59 P CA 0.245 63.612 63.100 0.445 0.000 0.793 59 P CB 0.594 32.542 31.700 0.413 0.000 0.984 63 V N 3.164 123.136 119.914 0.096 0.000 2.815 63 V HA 0.663 4.782 4.120 -0.001 0.000 0.314 63 V C -0.428 175.730 176.094 0.108 0.000 1.064 63 V CA -0.704 61.657 62.300 0.102 0.000 0.952 63 V CB 2.082 33.964 31.823 0.098 0.000 1.020 63 V HN 0.447 nan 8.190 nan 0.000 0.439 64 V N 2.147 122.122 119.914 0.103 0.000 2.686 64 V HA 0.981 5.100 4.120 -0.001 0.000 0.306 64 V C 0.268 176.415 176.094 0.089 0.000 1.065 64 V CA 0.264 62.623 62.300 0.099 0.000 0.894 64 V CB 1.506 33.380 31.823 0.085 0.000 1.004 64 V HN 1.142 nan 8.190 nan 0.000 0.424 65 G N 2.768 111.627 108.800 0.099 0.000 2.548 65 G HA2 0.610 4.570 3.960 -0.001 0.000 0.301 65 G HA3 0.610 4.570 3.960 -0.001 0.000 0.301 65 G C -1.921 173.040 174.900 0.102 0.000 1.349 65 G CA -0.476 44.675 45.100 0.085 0.000 0.792 65 G HN 0.527 nan 8.290 nan 0.000 0.481 66 V N -0.237 119.727 119.914 0.083 0.000 2.547 66 V HA 0.687 4.806 4.120 -0.001 0.000 0.299 66 V C -0.382 175.784 176.094 0.121 0.000 1.040 66 V CA -0.611 61.742 62.300 0.088 0.000 0.913 66 V CB 1.581 33.427 31.823 0.038 0.000 0.992 66 V HN 0.617 nan 8.190 nan 0.000 0.449 67 V N 3.201 123.223 119.914 0.181 0.000 2.462 67 V HA 0.619 4.738 4.120 -0.001 0.000 0.288 67 V C 0.320 176.502 176.094 0.147 0.000 1.020 67 V CA 0.074 62.473 62.300 0.165 0.000 0.857 67 V CB 1.012 32.950 31.823 0.192 0.000 1.013 67 V HN 1.183 nan 8.190 nan 0.000 0.431 68 E N 2.759 123.008 120.200 0.081 0.000 2.230 68 E HA -0.073 4.276 4.350 -0.001 0.000 0.206 68 E C 1.662 178.290 176.600 0.047 0.000 1.309 68 E CA 1.417 57.852 56.400 0.058 0.000 0.697 68 E CB -1.764 27.973 29.700 0.063 0.000 1.146 68 E HN 2.632 nan 8.360 nan 0.000 0.363 69 G N -1.289 107.529 108.800 0.030 0.000 2.245 69 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.264 69 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.264 69 G C 0.548 175.433 174.900 -0.024 0.000 0.985 69 G CA 1.181 46.283 45.100 0.003 0.000 0.625 69 G HN 1.428 nan 8.290 nan 0.000 0.536 70 R N 0.337 120.823 120.500 -0.023 0.000 2.514 70 R HA 0.601 4.940 4.340 -0.001 0.000 0.301 70 R C 0.290 176.446 176.300 -0.241 0.000 0.962 70 R CA -0.886 55.117 56.100 -0.162 0.000 0.882 70 R CB 0.717 30.880 30.300 -0.229 0.000 1.143 70 R HN 0.275 nan 8.270 nan 0.000 0.452 71 R N 3.431 123.751 120.500 -0.300 0.000 2.308 71 R HA 0.219 4.558 4.340 -0.001 0.000 0.305 71 R C -1.394 174.681 176.300 -0.374 0.000 1.053 71 R CA 0.016 55.989 56.100 -0.212 0.000 0.957 71 R CB 0.546 30.773 30.300 -0.121 0.000 1.022 71 R HN 0.532 nan 8.270 nan 0.000 0.461 72 Y N 1.176 121.479 120.300 0.005 0.000 2.605 72 Y HA 0.606 5.155 4.550 -0.001 0.000 0.343 72 Y C -0.140 175.777 175.900 0.029 0.000 1.036 72 Y CA -0.862 57.245 58.100 0.012 0.000 1.065 72 Y CB 2.288 40.758 38.460 0.016 0.000 1.288 72 Y HN 0.701 nan 8.280 nan 0.000 0.481 73 A N 1.004 123.962 122.820 0.231 0.000 2.337 73 A HA 0.986 5.305 4.320 -0.001 0.000 0.331 73 A C -1.146 176.534 177.584 0.160 0.000 1.137 73 A CA -0.183 51.959 52.037 0.174 0.000 0.807 73 A CB 1.033 20.143 19.000 0.185 0.000 1.250 73 A HN 1.095 nan 8.150 nan 0.000 0.468 74 A N 0.865 123.760 122.820 0.126 0.000 2.604 74 A HA 0.643 4.963 4.320 -0.001 0.000 0.295 74 A C -1.525 176.105 177.584 0.078 0.000 1.067 74 A CA -0.409 51.682 52.037 0.090 0.000 0.683 74 A CB 0.814 19.851 19.000 0.060 0.000 1.281 74 A HN 0.815 nan 8.150 nan 0.000 0.407 75 L N 2.083 123.340 121.223 0.058 0.000 2.287 75 L HA 0.629 4.969 4.340 -0.001 0.000 0.287 75 L C -0.705 176.186 176.870 0.034 0.000 1.022 75 L CA -0.745 54.124 54.840 0.048 0.000 0.814 75 L CB 1.475 43.555 42.059 0.035 0.000 1.217 75 L HN 0.533 nan 8.230 nan 0.000 0.420 76 V N 4.136 124.074 119.914 0.040 0.000 3.046 76 V HA 0.404 4.523 4.120 -0.001 0.000 0.316 76 V C -1.690 174.420 176.094 0.028 0.000 1.104 76 V CA -0.929 61.390 62.300 0.032 0.000 1.006 76 V CB 1.918 33.769 31.823 0.046 0.000 1.058 76 V HN 0.618 nan 8.190 nan 0.000 0.440 77 P HA 0.079 nan 4.420 nan 0.000 0.227 77 P C -0.160 177.134 177.300 -0.011 0.000 1.161 77 P CA 0.481 63.580 63.100 -0.003 0.000 0.788 77 P CB 0.264 31.952 31.700 -0.021 0.000 0.822 78 Q N -4.444 115.372 119.800 0.025 0.000 2.907 78 Q HA 0.458 4.798 4.340 -0.001 0.000 0.310 78 Q C -0.199 175.867 176.000 0.110 0.000 0.861 78 Q CA -0.414 55.428 55.803 0.066 0.000 0.769 78 Q CB 0.158 28.918 28.738 0.036 0.000 1.465 78 Q HN -0.029 nan 8.270 nan 0.000 0.449 79 G N -0.883 108.017 108.800 0.167 0.000 2.157 79 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.248 79 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.248 79 G C 0.640 175.641 174.900 0.167 0.000 0.979 79 G CA 0.583 45.779 45.100 0.160 0.000 0.650 79 G HN 1.224 nan 8.290 nan 0.000 0.529 80 G N 0.472 109.378 108.800 0.176 0.000 2.453 80 G HA2 0.036 3.995 3.960 -0.001 0.000 0.215 80 G HA3 0.036 3.995 3.960 -0.001 0.000 0.215 80 G C 1.175 176.218 174.900 0.239 0.000 1.201 80 G CA 0.762 45.968 45.100 0.177 0.000 0.784 80 G HN 0.783 nan 8.290 nan 0.000 0.545 81 L N 1.730 123.134 121.223 0.302 0.000 2.544 81 L HA 0.462 4.801 4.340 -0.001 0.000 0.240 81 L C 0.548 177.758 176.870 0.566 0.000 1.421 81 L CA -0.422 54.693 54.840 0.459 0.000 1.206 81 L CB -0.771 41.542 42.059 0.423 0.000 1.463 81 L HN 0.325 nan 8.230 nan 0.000 0.437 82 A N 0.030 123.102 122.820 0.419 0.000 2.602 82 A HA 0.423 4.742 4.320 -0.001 0.000 0.290 82 A C 0.550 178.182 177.584 0.081 0.000 1.114 82 A CA -0.603 51.600 52.037 0.276 0.000 0.683 82 A CB 1.136 20.248 19.000 0.187 0.000 1.281 82 A HN 0.377 nan 8.150 nan 0.000 0.416 83 E N -0.217 119.958 120.200 -0.041 0.000 2.150 83 E HA -0.048 4.301 4.350 -0.001 0.000 0.193 83 E C 0.112 176.695 176.600 -0.028 0.000 0.985 83 E CA 0.927 57.263 56.400 -0.107 0.000 0.814 83 E CB 0.129 29.751 29.700 -0.131 0.000 0.752 83 E HN 0.454 nan 8.360 nan 0.000 0.466 84 R N -0.399 120.107 120.500 0.010 0.000 2.698 84 R HA 0.467 4.806 4.340 -0.001 0.000 0.275 84 R C -1.496 174.830 176.300 0.045 0.000 1.001 84 R CA -0.603 55.511 56.100 0.024 0.000 0.896 84 R CB 2.640 32.947 30.300 0.012 0.000 1.218 84 R HN -0.178 nan 8.270 nan 0.000 0.462 85 V N 0.361 120.302 119.914 0.046 0.000 2.808 85 V HA 0.664 4.783 4.120 -0.001 0.000 0.308 85 V C -0.428 175.687 176.094 0.035 0.000 1.099 85 V CA -1.256 61.074 62.300 0.051 0.000 0.920 85 V CB 1.891 33.753 31.823 0.065 0.000 1.014 85 V HN 0.929 nan 8.190 nan 0.000 0.425 86 A N 3.309 126.147 122.820 0.030 0.000 2.366 86 A HA 0.805 5.125 4.320 -0.001 0.000 0.272 86 A C -0.445 177.145 177.584 0.010 0.000 1.135 86 A CA -0.321 51.725 52.037 0.016 0.000 0.804 86 A CB 0.678 19.687 19.000 0.015 0.000 1.064 86 A HN 1.010 nan 8.150 nan 0.000 0.499 87 V N 4.257 124.168 119.914 -0.005 0.000 2.760 87 V HA 0.361 4.480 4.120 -0.001 0.000 0.309 87 V C -2.640 173.432 176.094 -0.036 0.000 1.077 87 V CA -1.731 60.559 62.300 -0.016 0.000 0.910 87 V CB 2.172 33.984 31.823 -0.020 0.000 1.008 87 V HN 0.763 nan 8.190 nan 0.000 0.424 88 P HA 0.237 nan 4.420 nan 0.000 0.267 88 P C 0.891 178.153 177.300 -0.065 0.000 1.209 88 P CA 0.236 63.312 63.100 -0.040 0.000 0.763 88 P CB 0.644 32.327 31.700 -0.029 0.000 0.816 89 K N 3.495 123.850 120.400 -0.075 0.000 2.127 89 K HA -0.190 4.130 4.320 -0.001 0.000 0.208 89 K C 2.238 178.778 176.600 -0.100 0.000 1.047 89 K CA 2.398 58.619 56.287 -0.110 0.000 0.927 89 K CB -2.015 30.434 32.500 -0.084 0.000 0.716 89 K HN 0.676 nan 8.250 nan 0.000 0.450 90 G N -0.254 108.510 108.800 -0.060 0.000 2.470 90 G HA2 0.111 4.070 3.960 -0.001 0.000 0.220 90 G HA3 0.111 4.070 3.960 -0.001 0.000 0.220 90 G C 1.760 176.639 174.900 -0.035 0.000 1.121 90 G CA 1.127 46.203 45.100 -0.041 0.000 0.766 90 G HN 0.890 nan 8.290 nan 0.000 0.553 91 A N -0.186 122.609 122.820 -0.042 0.000 2.195 91 A HA 0.483 4.802 4.320 -0.001 0.000 0.210 91 A C 1.080 178.651 177.584 -0.022 0.000 1.165 91 A CA -0.355 51.669 52.037 -0.022 0.000 0.806 91 A CB -0.045 18.945 19.000 -0.016 0.000 0.847 91 A HN 0.286 nan 8.150 nan 0.000 0.482 92 L N 1.069 122.242 121.223 -0.084 0.000 2.490 92 L HA 0.102 4.442 4.340 -0.001 0.000 0.274 92 L C -0.006 176.880 176.870 0.028 0.000 1.201 92 L CA 0.001 54.765 54.840 -0.127 0.000 0.869 92 L CB 0.549 42.318 42.059 -0.484 0.000 1.123 92 L HN 0.231 nan 8.230 nan 0.000 0.484 93 L N 6.604 127.923 121.223 0.160 0.000 2.316 93 L HA 0.505 4.844 4.340 -0.001 0.000 0.280 93 L C -2.385 174.651 176.870 0.278 0.000 1.006 93 L CA -1.772 53.188 54.840 0.198 0.000 0.836 93 L CB 1.706 43.877 42.059 0.185 0.000 1.221 93 L HN 0.299 nan 8.230 nan 0.000 0.418 94 P HA 0.238 nan 4.420 nan 0.000 0.268 94 P C -0.799 176.479 177.300 -0.036 0.000 1.205 94 P CA 0.062 63.222 63.100 0.099 0.000 0.771 94 P CB 0.794 32.543 31.700 0.082 0.000 0.858 95 L N 4.573 125.719 121.223 -0.128 0.000 2.330 95 L HA 0.574 4.913 4.340 -0.001 0.000 0.271 95 L C -2.097 174.677 176.870 -0.160 0.000 1.013 95 L CA -2.382 52.364 54.840 -0.157 0.000 0.816 95 L CB 1.226 43.196 42.059 -0.149 0.000 1.287 95 L HN 0.204 nan 8.230 nan 0.000 0.435 96 P HA 0.125 nan 4.420 nan 0.000 0.275 96 P C -0.862 176.364 177.300 -0.124 0.000 1.228 96 P CA -0.560 62.456 63.100 -0.140 0.000 0.786 96 P CB 0.434 32.042 31.700 -0.153 0.000 0.927 97 E N 1.207 121.345 120.200 -0.104 0.000 2.452 97 E HA 0.155 4.504 4.350 -0.001 0.000 0.261 97 E C 1.478 178.029 176.600 -0.082 0.000 0.987 97 E CA 1.403 57.749 56.400 -0.090 0.000 0.926 97 E CB -0.013 29.642 29.700 -0.074 0.000 0.934 97 E HN 0.811 nan 8.360 nan 0.000 0.452 98 G N 2.666 111.422 108.800 -0.074 0.000 2.225 98 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.254 98 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.254 98 G C 0.387 175.247 174.900 -0.066 0.000 0.988 98 G CA 0.039 45.102 45.100 -0.063 0.000 0.625 98 G HN 0.465 nan 8.290 nan 0.000 0.527 99 L N 2.627 123.800 121.223 -0.084 0.000 2.513 99 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 99 L C 1.567 178.400 176.870 -0.061 0.000 1.187 99 L CA 0.520 55.308 54.840 -0.087 0.000 0.895 99 L CB 0.698 42.683 42.059 -0.123 0.000 1.147 99 L HN 0.588 nan 8.230 nan 0.000 0.483 100 S N 4.324 119.998 115.700 -0.043 0.000 2.593 100 S HA 0.219 4.688 4.470 -0.001 0.000 0.269 100 S C -1.836 172.756 174.600 -0.013 0.000 1.334 100 S CA -1.118 57.068 58.200 -0.023 0.000 1.015 100 S CB 1.151 64.345 63.200 -0.011 0.000 0.912 100 S HN 0.470 nan 8.310 nan 0.000 0.541 101 P HA -0.033 nan 4.420 nan 0.000 0.217 101 P C 1.017 178.339 177.300 0.037 0.000 1.150 101 P CA 1.110 64.221 63.100 0.018 0.000 0.832 101 P CB 0.036 31.750 31.700 0.024 0.000 0.787 102 E N -0.378 119.844 120.200 0.036 0.000 2.047 102 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 102 E C 2.047 178.683 176.600 0.060 0.000 0.987 102 E CA 1.077 57.508 56.400 0.052 0.000 0.799 102 E CB -0.705 29.022 29.700 0.044 0.000 0.752 102 E HN 0.359 nan 8.360 nan 0.000 0.449 103 E N 0.015 120.239 120.200 0.040 0.000 2.110 103 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 103 E C 1.936 178.566 176.600 0.050 0.000 0.988 103 E CA 0.901 57.325 56.400 0.041 0.000 0.804 103 E CB -0.074 29.628 29.700 0.002 0.000 0.745 103 E HN 0.262 nan 8.360 nan 0.000 0.458 104 A N 1.006 123.842 122.820 0.027 0.000 1.933 104 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 104 A C 2.322 179.986 177.584 0.134 0.000 1.175 104 A CA 1.565 53.627 52.037 0.042 0.000 0.628 104 A CB -0.573 18.432 19.000 0.009 0.000 0.814 104 A HN 0.371 nan 8.150 nan 0.000 0.444 105 A N -0.639 122.250 122.820 0.115 0.000 2.067 105 A HA 0.315 4.635 4.320 -0.001 0.000 0.219 105 A C 2.051 179.726 177.584 0.153 0.000 1.158 105 A CA 1.509 53.623 52.037 0.128 0.000 0.661 105 A CB -0.531 18.531 19.000 0.103 0.000 0.801 105 A HN 1.041 nan 8.150 nan 0.000 0.452 106 A N -2.152 120.774 122.820 0.176 0.000 2.345 106 A HA 0.438 4.757 4.320 -0.001 0.000 0.225 106 A C 1.378 179.155 177.584 0.322 0.000 1.243 106 A CA 0.305 52.470 52.037 0.212 0.000 0.875 106 A CB -0.490 18.629 19.000 0.199 0.000 0.929 106 A HN 0.610 nan 8.150 nan 0.000 0.502 107 F N 0.994 121.021 119.950 0.127 0.000 2.298 107 F HA 0.189 4.715 4.527 -0.001 0.000 0.282 107 F C -1.100 174.843 175.800 0.238 0.000 1.045 107 F CA 0.489 58.560 58.000 0.119 0.000 1.280 107 F CB -0.600 38.311 39.000 -0.147 0.000 1.114 107 F HN 0.089 nan 8.300 nan 0.000 0.546 108 P HA -0.260 nan 4.420 nan 0.000 0.210 108 P C 1.965 179.167 177.300 -0.162 0.000 1.151 108 P CA 2.709 65.674 63.100 -0.225 0.000 0.949 108 P CB -0.281 31.450 31.700 0.051 0.000 0.786 109 V N -0.494 119.412 119.914 -0.013 0.000 2.255 109 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 109 V C 2.436 178.543 176.094 0.022 0.000 1.051 109 V CA 2.635 64.954 62.300 0.032 0.000 1.018 109 V CB -1.555 30.311 31.823 0.072 0.000 0.641 109 V HN 0.168 nan 8.190 nan 0.000 0.445 110 S N -0.131 115.586 115.700 0.029 0.000 2.353 110 S HA -0.171 4.298 4.470 -0.001 0.000 0.222 110 S C 1.795 176.296 174.600 -0.167 0.000 1.035 110 S CA 1.929 60.099 58.200 -0.050 0.000 1.025 110 S CB -0.546 62.630 63.200 -0.039 0.000 0.902 110 S HN 0.521 nan 8.310 nan 0.000 0.440 111 F N 1.332 121.168 119.950 -0.190 0.000 2.186 111 F HA 0.062 4.589 4.527 -0.001 0.000 0.299 111 F C 2.094 177.833 175.800 -0.102 0.000 1.090 111 F CA 0.623 58.525 58.000 -0.164 0.000 1.307 111 F CB -0.408 38.407 39.000 -0.310 0.000 1.019 111 F HN 0.098 nan 8.300 nan 0.000 0.489 112 L N -0.767 120.446 121.223 -0.016 0.000 2.093 112 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 112 L C 2.393 179.347 176.870 0.140 0.000 1.085 112 L CA 1.382 56.265 54.840 0.072 0.000 0.755 112 L CB -0.884 41.192 42.059 0.028 0.000 0.904 112 L HN 0.124 nan 8.230 nan 0.000 0.435 113 T N -0.222 114.380 114.554 0.079 0.000 2.708 113 T HA -0.165 4.184 4.350 -0.001 0.000 0.266 113 T C 1.970 176.553 174.700 -0.194 0.000 1.037 113 T CA 1.355 63.469 62.100 0.025 0.000 1.146 113 T CB -0.184 68.695 68.868 0.019 0.000 0.865 113 T HN 0.444 nan 8.240 nan 0.000 0.435 114 A N 0.410 123.144 122.820 -0.143 0.000 1.877 114 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 114 A C 2.113 179.637 177.584 -0.099 0.000 1.186 114 A CA 1.622 53.557 52.037 -0.170 0.000 0.620 114 A CB -1.078 17.812 19.000 -0.183 0.000 0.822 114 A HN 0.600 nan 8.150 nan 0.000 0.443 115 Y N 0.401 120.654 120.300 -0.079 0.000 2.114 115 Y HA -0.133 4.416 4.550 -0.001 0.000 0.284 115 Y C 1.984 177.850 175.900 -0.056 0.000 1.143 115 Y CA 1.942 60.011 58.100 -0.053 0.000 1.135 115 Y CB -0.276 38.203 38.460 0.031 0.000 0.980 115 Y HN 0.194 nan 8.280 nan 0.000 0.499 116 L N -0.304 120.989 121.223 0.117 0.000 2.191 116 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 116 L C 2.693 179.584 176.870 0.035 0.000 1.103 116 L CA 0.939 55.860 54.840 0.134 0.000 0.769 116 L CB -0.803 41.489 42.059 0.389 0.000 0.908 116 L HN 0.375 nan 8.230 nan 0.000 0.438 117 A N 0.147 122.811 122.820 -0.261 0.000 1.872 117 A HA -0.112 4.207 4.320 -0.001 0.000 0.214 117 A C 2.212 179.661 177.584 -0.226 0.000 1.187 117 A CA 1.190 52.968 52.037 -0.432 0.000 0.614 117 A CB -0.555 18.003 19.000 -0.737 0.000 0.826 117 A HN 0.318 nan 8.150 nan 0.000 0.442 118 L N -0.413 120.655 121.223 -0.258 0.000 2.056 118 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 118 L C 3.193 179.904 176.870 -0.266 0.000 1.078 118 L CA 1.656 56.356 54.840 -0.234 0.000 0.749 118 L CB -0.586 41.329 42.059 -0.240 0.000 0.901 118 L HN 0.483 nan 8.230 nan 0.000 0.433 119 K N 0.502 120.656 120.400 -0.411 0.000 2.063 119 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 119 K C 2.175 178.673 176.600 -0.170 0.000 1.048 119 K CA 1.842 57.891 56.287 -0.396 0.000 0.928 119 K CB -0.921 31.230 32.500 -0.581 0.000 0.713 119 K HN 0.311 nan 8.250 nan 0.000 0.442 120 R N -0.331 120.118 120.500 -0.086 0.000 2.115 120 R HA 0.077 4.416 4.340 -0.001 0.000 0.226 120 R C 2.183 178.476 176.300 -0.011 0.000 1.100 120 R CA 1.086 57.185 56.100 -0.002 0.000 0.980 120 R CB -0.251 30.109 30.300 0.100 0.000 0.875 120 R HN 0.417 nan 8.270 nan 0.000 0.445 121 A N 0.623 123.420 122.820 -0.038 0.000 2.276 121 A HA 0.027 4.346 4.320 -0.001 0.000 0.212 121 A C 0.058 177.616 177.584 -0.043 0.000 1.230 121 A CA -0.033 51.986 52.037 -0.030 0.000 0.844 121 A CB -0.082 18.895 19.000 -0.039 0.000 0.860 121 A HN 0.512 nan 8.150 nan 0.000 0.486 122 Q N -1.384 118.380 119.800 -0.061 0.000 2.439 122 Q HA -0.224 4.115 4.340 -0.001 0.000 0.325 122 Q C 0.302 176.266 176.000 -0.060 0.000 1.372 122 Q CA 0.181 55.948 55.803 -0.060 0.000 0.909 122 Q CB -2.044 26.675 28.738 -0.032 0.000 1.167 122 Q HN 0.889 nan 8.270 nan 0.000 0.418 123 A N 1.105 123.873 122.820 -0.087 0.000 2.492 123 A HA 0.408 4.727 4.320 -0.001 0.000 0.254 123 A C 0.265 177.816 177.584 -0.054 0.000 1.091 123 A CA 0.182 52.178 52.037 -0.068 0.000 0.768 123 A CB 0.444 19.389 19.000 -0.091 0.000 1.028 123 A HN 0.361 nan 8.150 nan 0.000 0.498 124 R N 2.190 122.675 120.500 -0.024 0.000 2.732 124 R HA 0.550 4.889 4.340 -0.001 0.000 0.278 124 R C -2.834 173.469 176.300 0.005 0.000 0.976 124 R CA -2.026 54.067 56.100 -0.010 0.000 0.963 124 R CB 1.082 31.380 30.300 -0.003 0.000 1.150 124 R HN 0.407 nan 8.270 nan 0.000 0.478 125 P HA 0.022 nan 4.420 nan 0.000 0.263 125 P C 0.157 177.471 177.300 0.022 0.000 1.175 125 P CA 1.335 64.451 63.100 0.027 0.000 0.761 125 P CB 0.622 32.342 31.700 0.033 0.000 0.794 126 G N 1.437 110.252 108.800 0.025 0.000 2.225 126 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.254 126 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.254 126 G C 0.148 175.063 174.900 0.026 0.000 0.988 126 G CA -0.239 44.870 45.100 0.016 0.000 0.625 126 G HN 0.563 nan 8.290 nan 0.000 0.527 127 E N 0.775 120.996 120.200 0.035 0.000 2.390 127 E HA 0.367 4.716 4.350 -0.001 0.000 0.261 127 E C 0.118 176.775 176.600 0.095 0.000 1.076 127 E CA -0.023 56.408 56.400 0.050 0.000 0.905 127 E CB 0.533 30.252 29.700 0.032 0.000 0.984 127 E HN 0.323 nan 8.360 nan 0.000 0.427 128 K N 1.437 121.920 120.400 0.138 0.000 2.248 128 K HA 0.321 4.640 4.320 -0.001 0.000 0.281 128 K C -0.825 175.864 176.600 0.148 0.000 1.054 128 K CA -0.352 56.092 56.287 0.261 0.000 0.903 128 K CB 1.557 34.293 32.500 0.394 0.000 1.077 128 K HN 0.120 nan 8.250 nan 0.000 0.474 129 V N 5.389 125.373 119.914 0.117 0.000 2.588 129 V HA 0.348 4.468 4.120 -0.001 0.000 0.304 129 V C -1.251 174.799 176.094 -0.073 0.000 1.042 129 V CA -1.043 61.262 62.300 0.008 0.000 0.877 129 V CB 1.701 33.525 31.823 0.001 0.000 0.996 129 V HN 0.632 nan 8.190 nan 0.000 0.425 130 L N 7.856 129.014 121.223 -0.108 0.000 2.275 130 L HA 0.650 4.990 4.340 -0.001 0.000 0.288 130 L C -1.005 175.801 176.870 -0.106 0.000 1.046 130 L CA 0.027 54.776 54.840 -0.151 0.000 0.805 130 L CB 1.593 43.561 42.059 -0.151 0.000 1.193 130 L HN 0.550 nan 8.230 nan 0.000 0.426 131 V N 6.083 125.936 119.914 -0.102 0.000 2.409 131 V HA 0.405 4.524 4.120 -0.001 0.000 0.291 131 V C 0.155 176.213 176.094 -0.060 0.000 1.020 131 V CA -0.651 61.599 62.300 -0.084 0.000 0.848 131 V CB 1.762 33.537 31.823 -0.080 0.000 0.990 131 V HN 0.819 nan 8.190 nan 0.000 0.430 132 Q N 2.692 122.471 119.800 -0.036 0.000 2.185 132 Q HA 0.682 5.021 4.340 -0.001 0.000 0.225 132 Q C 0.882 176.897 176.000 0.025 0.000 0.983 132 Q CA -0.249 55.587 55.803 0.054 0.000 0.950 132 Q CB 1.087 29.854 28.738 0.048 0.000 1.176 132 Q HN 1.044 nan 8.270 nan 0.000 0.510 133 A N 0.180 123.069 122.820 0.115 0.000 2.624 133 A HA -0.278 4.041 4.320 -0.001 0.000 0.302 133 A C 1.172 178.724 177.584 -0.053 0.000 1.504 133 A CA 0.888 52.940 52.037 0.025 0.000 0.804 133 A CB -1.905 17.083 19.000 -0.020 0.000 1.020 133 A HN 0.809 nan 8.150 nan 0.000 0.444 134 A N -1.196 121.582 122.820 -0.071 0.000 2.225 134 A HA 0.296 4.615 4.320 -0.001 0.000 0.215 134 A C 1.934 179.470 177.584 -0.081 0.000 1.164 134 A CA 1.868 53.856 52.037 -0.082 0.000 0.710 134 A CB -0.403 18.544 19.000 -0.089 0.000 0.780 134 A HN 2.148 nan 8.150 nan 0.000 0.473 135 A N -1.074 121.691 122.820 -0.092 0.000 2.430 135 A HA 0.548 4.868 4.320 -0.001 0.000 0.243 135 A C 1.193 178.715 177.584 -0.103 0.000 1.254 135 A CA 0.557 52.541 52.037 -0.088 0.000 0.914 135 A CB -0.323 18.619 19.000 -0.097 0.000 0.998 135 A HN 0.615 nan 8.150 nan 0.000 0.515 136 G N -2.076 106.659 108.800 -0.108 0.000 2.532 136 G HA2 0.468 4.427 3.960 -0.001 0.000 0.291 136 G HA3 0.468 4.427 3.960 -0.001 0.000 0.291 136 G C 1.142 176.010 174.900 -0.053 0.000 1.349 136 G CA 0.155 45.184 45.100 -0.118 0.000 1.038 136 G HN 0.441 nan 8.290 nan 0.000 0.518 137 A N -0.729 122.087 122.820 -0.007 0.000 1.851 137 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 137 A C 2.337 179.900 177.584 -0.035 0.000 1.195 137 A CA 1.661 53.716 52.037 0.029 0.000 0.622 137 A CB -0.844 18.205 19.000 0.081 0.000 0.831 137 A HN 0.544 nan 8.150 nan 0.000 0.444 138 L N -0.772 120.420 121.223 -0.053 0.000 2.017 138 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 138 L C 2.614 179.395 176.870 -0.149 0.000 1.073 138 L CA 1.538 56.312 54.840 -0.111 0.000 0.745 138 L CB -0.802 41.207 42.059 -0.082 0.000 0.894 138 L HN 0.481 nan 8.230 nan 0.000 0.432 139 G N -0.624 108.110 108.800 -0.110 0.000 2.514 139 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.217 139 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.217 139 G C 1.546 176.381 174.900 -0.109 0.000 1.198 139 G CA 1.568 46.605 45.100 -0.106 0.000 0.780 139 G HN 0.509 nan 8.290 nan 0.000 0.565 140 T N -0.236 114.265 114.554 -0.088 0.000 2.759 140 T HA 0.089 4.438 4.350 -0.001 0.000 0.269 140 T C 2.543 177.174 174.700 -0.115 0.000 1.042 140 T CA 1.950 64.016 62.100 -0.057 0.000 1.140 140 T CB -0.439 68.428 68.868 -0.001 0.000 0.864 140 T HN 0.413 nan 8.240 nan 0.000 0.455 141 A N 1.929 124.579 122.820 -0.284 0.000 1.898 141 A HA 0.388 4.708 4.320 -0.001 0.000 0.216 141 A C 2.851 180.149 177.584 -0.476 0.000 1.181 141 A CA 1.753 53.334 52.037 -0.760 0.000 0.620 141 A CB -1.394 16.876 19.000 -1.216 0.000 0.819 141 A HN 0.736 nan 8.150 nan 0.000 0.442 142 A N -0.440 122.205 122.820 -0.291 0.000 1.902 142 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 142 A C 2.232 179.762 177.584 -0.090 0.000 1.181 142 A CA 1.863 53.794 52.037 -0.177 0.000 0.623 142 A CB -0.992 17.917 19.000 -0.151 0.000 0.818 142 A HN 0.395 nan 8.150 nan 0.000 0.443 143 V N 0.005 119.878 119.914 -0.069 0.000 2.295 143 V HA -0.338 3.781 4.120 -0.001 0.000 0.246 143 V C 2.667 178.780 176.094 0.033 0.000 1.049 143 V CA 2.331 64.623 62.300 -0.012 0.000 1.024 143 V CB -0.979 30.839 31.823 -0.007 0.000 0.648 143 V HN 0.648 nan 8.190 nan 0.000 0.447 144 Q N -0.584 119.243 119.800 0.045 0.000 2.084 144 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 144 Q C 2.360 178.466 176.000 0.177 0.000 0.978 144 Q CA 1.792 57.672 55.803 0.129 0.000 0.844 144 Q CB -0.309 28.560 28.738 0.220 0.000 0.898 144 Q HN 0.556 nan 8.270 nan 0.000 0.426 145 V N 0.981 120.990 119.914 0.158 0.000 2.358 145 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 145 V C 2.294 178.506 176.094 0.198 0.000 1.047 145 V CA 1.766 64.218 62.300 0.252 0.000 1.035 145 V CB -1.003 30.942 31.823 0.204 0.000 0.658 145 V HN 0.385 nan 8.190 nan 0.000 0.452 146 A N -0.154 122.722 122.820 0.094 0.000 1.908 146 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 146 A C 2.387 180.033 177.584 0.103 0.000 1.181 146 A CA 1.570 53.647 52.037 0.066 0.000 0.627 146 A CB -0.474 18.544 19.000 0.029 0.000 0.818 146 A HN 0.399 nan 8.150 nan 0.000 0.445 147 R N 0.047 120.614 120.500 0.113 0.000 2.073 147 R HA -0.015 4.324 4.340 -0.001 0.000 0.234 147 R C 1.582 177.969 176.300 0.145 0.000 1.134 147 R CA 0.993 57.160 56.100 0.113 0.000 0.952 147 R CB -1.226 29.134 30.300 0.101 0.000 0.850 147 R HN 0.538 nan 8.270 nan 0.000 0.433 151 L N 0.446 121.711 121.223 0.070 0.000 2.421 151 L HA 0.606 4.946 4.340 -0.001 0.000 0.263 151 L C 0.578 177.501 176.870 0.087 0.000 1.122 151 L CA -0.955 53.925 54.840 0.066 0.000 0.804 151 L CB 1.002 43.094 42.059 0.055 0.000 1.150 151 L HN -0.059 nan 8.230 nan 0.000 0.457 152 R N 0.987 121.556 120.500 0.116 0.000 2.202 152 R HA 0.446 4.786 4.340 -0.001 0.000 0.334 152 R C -1.093 175.397 176.300 0.318 0.000 1.036 152 R CA -0.504 55.700 56.100 0.174 0.000 0.878 152 R CB 1.344 31.705 30.300 0.102 0.000 1.067 152 R HN 0.308 nan 8.270 nan 0.000 0.457 153 V N 5.197 125.286 119.914 0.293 0.000 2.427 153 V HA 0.306 4.425 4.120 -0.001 0.000 0.286 153 V C -0.020 176.185 176.094 0.184 0.000 1.034 153 V CA -0.735 61.684 62.300 0.198 0.000 0.893 153 V CB 1.750 33.630 31.823 0.095 0.000 0.982 153 V HN 0.611 nan 8.190 nan 0.000 0.452 154 L N 4.788 125.927 121.223 -0.140 0.000 2.295 154 L HA 0.763 5.102 4.340 -0.001 0.000 0.281 154 L C 0.209 176.945 176.870 -0.224 0.000 1.018 154 L CA -0.378 54.219 54.840 -0.404 0.000 0.841 154 L CB 1.180 42.641 42.059 -0.996 0.000 1.218 154 L HN 0.799 nan 8.230 nan 0.000 0.424 155 A N 4.329 127.067 122.820 -0.136 0.000 2.306 155 A HA 0.866 5.185 4.320 -0.001 0.000 0.314 155 A C -0.447 177.048 177.584 -0.148 0.000 1.164 155 A CA -0.206 51.762 52.037 -0.115 0.000 0.822 155 A CB 1.342 20.297 19.000 -0.076 0.000 1.130 155 A HN 0.834 nan 8.150 nan 0.000 0.496 156 A N 0.564 123.292 122.820 -0.153 0.000 2.475 156 A HA 0.934 5.254 4.320 -0.001 0.000 0.301 156 A C -0.253 177.092 177.584 -0.399 0.000 1.059 156 A CA 0.081 51.968 52.037 -0.250 0.000 0.710 156 A CB 1.466 20.385 19.000 -0.136 0.000 1.288 156 A HN 2.499 nan 8.150 nan 0.000 0.408 157 A N -0.044 122.355 122.820 -0.701 0.000 2.588 157 A HA 0.756 5.075 4.320 -0.001 0.000 0.290 157 A C 0.912 177.901 177.584 -0.992 0.000 1.136 157 A CA 0.340 51.945 52.037 -0.720 0.000 0.681 157 A CB 0.207 19.015 19.000 -0.321 0.000 1.282 157 A HN 1.928 nan 8.150 nan 0.000 0.421 158 S N -0.382 115.018 115.700 -0.500 0.000 2.377 158 S HA 0.119 4.589 4.470 -0.001 0.000 0.223 158 S C 0.929 175.444 174.600 -0.142 0.000 1.030 158 S CA 0.608 58.686 58.200 -0.204 0.000 0.970 158 S CB -0.082 63.156 63.200 0.064 0.000 0.830 158 S HN 0.628 nan 8.310 nan 0.000 0.473 159 R N 1.271 121.693 120.500 -0.129 0.000 2.589 159 R HA 0.394 4.733 4.340 -0.001 0.000 0.293 159 R C -2.363 173.878 176.300 -0.098 0.000 0.963 159 R CA -2.306 53.742 56.100 -0.087 0.000 0.905 159 R CB 1.249 31.516 30.300 -0.055 0.000 1.144 159 R HN 0.044 nan 8.270 nan 0.000 0.459 160 P HA -0.194 nan 4.420 nan 0.000 0.217 160 P C 0.580 177.844 177.300 -0.059 0.000 1.148 160 P CA 1.301 64.360 63.100 -0.068 0.000 0.828 160 P CB 0.172 31.844 31.700 -0.047 0.000 0.783 161 E N 0.266 120.436 120.200 -0.050 0.000 2.472 161 E HA -0.143 4.206 4.350 -0.001 0.000 0.200 161 E C 1.245 177.816 176.600 -0.049 0.000 1.046 161 E CA 0.856 57.232 56.400 -0.041 0.000 0.871 161 E CB -0.487 29.195 29.700 -0.030 0.000 0.806 161 E HN 0.246 nan 8.360 nan 0.000 0.533 162 K N 0.334 120.692 120.400 -0.070 0.000 2.374 162 K HA 0.192 4.511 4.320 -0.001 0.000 0.196 162 K C 1.614 178.163 176.600 -0.085 0.000 1.023 162 K CA -0.058 56.181 56.287 -0.081 0.000 1.103 162 K CB 0.358 32.795 32.500 -0.106 0.000 0.848 162 K HN 0.189 nan 8.250 nan 0.000 0.528 163 L N 0.091 121.265 121.223 -0.082 0.000 2.341 163 L HA 0.040 4.379 4.340 -0.001 0.000 0.214 163 L C 2.420 179.261 176.870 -0.048 0.000 1.115 163 L CA 0.430 55.224 54.840 -0.076 0.000 0.820 163 L CB -0.428 41.583 42.059 -0.079 0.000 0.944 163 L HN 0.111 nan 8.230 nan 0.000 0.452 164 A N 0.540 123.338 122.820 -0.036 0.000 1.908 164 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 164 A C 2.311 179.886 177.584 -0.016 0.000 1.181 164 A CA 1.439 53.463 52.037 -0.021 0.000 0.627 164 A CB -0.603 18.386 19.000 -0.017 0.000 0.818 164 A HN 0.345 nan 8.150 nan 0.000 0.445 165 L N -0.489 120.722 121.223 -0.020 0.000 1.994 165 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 165 L C -0.494 176.371 176.870 -0.008 0.000 1.071 165 L CA 1.889 56.722 54.840 -0.011 0.000 0.745 165 L CB -1.109 40.940 42.059 -0.016 0.000 0.892 165 L HN 0.244 nan 8.230 nan 0.000 0.431 166 P HA -0.217 nan 4.420 nan 0.000 0.215 166 P C 1.930 179.230 177.300 -0.001 0.000 1.153 166 P CA 1.227 64.316 63.100 -0.019 0.000 0.853 166 P CB 0.028 31.702 31.700 -0.043 0.000 0.788 167 L N -0.720 120.501 121.223 -0.003 0.000 2.046 167 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 167 L C 2.109 178.990 176.870 0.018 0.000 1.077 167 L CA 2.204 57.051 54.840 0.012 0.000 0.747 167 L CB -1.123 40.940 42.059 0.006 0.000 0.896 167 L HN -0.024 nan 8.230 nan 0.000 0.432 168 A N -0.285 122.543 122.820 0.013 0.000 1.930 168 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 168 A C 2.096 179.695 177.584 0.026 0.000 1.175 168 A CA 1.093 53.140 52.037 0.017 0.000 0.627 168 A CB -0.562 18.447 19.000 0.013 0.000 0.815 168 A HN 0.486 nan 8.150 nan 0.000 0.443 169 L N -1.576 119.663 121.223 0.028 0.000 2.551 169 L HA 0.082 4.421 4.340 -0.001 0.000 0.228 169 L C 1.726 178.624 176.870 0.047 0.000 1.153 169 L CA 0.769 55.634 54.840 0.041 0.000 0.851 169 L CB -0.073 42.010 42.059 0.040 0.000 0.959 169 L HN 0.618 nan 8.230 nan 0.000 0.451 170 G N -1.334 107.491 108.800 0.043 0.000 2.273 170 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.162 170 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.162 170 G C 0.346 175.283 174.900 0.062 0.000 1.006 170 G CA -0.264 44.866 45.100 0.051 0.000 0.704 170 G HN 0.373 nan 8.290 nan 0.000 0.487 171 A N 0.603 123.459 122.820 0.059 0.000 2.498 171 A HA 0.559 4.878 4.320 -0.001 0.000 0.239 171 A C 1.188 178.842 177.584 0.117 0.000 1.068 171 A CA 1.339 53.426 52.037 0.084 0.000 0.766 171 A CB 0.370 19.399 19.000 0.048 0.000 1.003 171 A HN 0.600 nan 8.150 nan 0.000 0.497 172 E N 1.121 121.442 120.200 0.203 0.000 2.106 172 E HA -0.088 4.261 4.350 -0.001 0.000 0.192 172 E C 0.153 176.898 176.600 0.242 0.000 0.984 172 E CA 1.282 57.810 56.400 0.212 0.000 0.806 172 E CB 0.109 29.959 29.700 0.252 0.000 0.750 172 E HN 0.807 nan 8.360 nan 0.000 0.458 173 E N -1.278 119.097 120.200 0.292 0.000 2.392 173 E HA 0.577 4.926 4.350 -0.001 0.000 0.279 173 E C -1.760 174.877 176.600 0.061 0.000 0.964 173 E CA -0.679 55.836 56.400 0.192 0.000 0.777 173 E CB 2.137 32.019 29.700 0.304 0.000 1.249 173 E HN 0.115 nan 8.360 nan 0.000 0.449 174 A N 1.040 123.866 122.820 0.010 0.000 2.371 174 A HA 0.909 5.229 4.320 -0.001 0.000 0.311 174 A C -1.278 176.261 177.584 -0.075 0.000 1.068 174 A CA -0.257 51.749 52.037 -0.051 0.000 0.744 174 A CB 1.624 20.597 19.000 -0.045 0.000 1.239 174 A HN 0.571 nan 8.150 nan 0.000 0.435 175 A N 0.937 123.681 122.820 -0.125 0.000 2.587 175 A HA 0.866 5.185 4.320 -0.001 0.000 0.293 175 A C 0.065 177.527 177.584 -0.202 0.000 1.087 175 A CA 0.047 52.005 52.037 -0.131 0.000 0.692 175 A CB 0.720 19.652 19.000 -0.113 0.000 1.291 175 A HN 1.814 nan 8.150 nan 0.000 0.407 176 T N -1.154 113.292 114.554 -0.179 0.000 2.868 176 T HA 0.391 4.740 4.350 -0.001 0.000 0.292 176 T C 0.783 175.366 174.700 -0.195 0.000 1.028 176 T CA 0.114 62.064 62.100 -0.250 0.000 1.059 176 T CB 0.081 68.865 68.868 -0.141 0.000 0.991 176 T HN 0.441 nan 8.240 nan 0.000 0.531 177 Y N 1.117 121.380 120.300 -0.062 0.000 2.193 177 Y HA -0.052 4.497 4.550 -0.001 0.000 0.285 177 Y C 2.931 178.798 175.900 -0.056 0.000 1.166 177 Y CA 1.312 59.373 58.100 -0.066 0.000 1.181 177 Y CB -1.439 36.983 38.460 -0.063 0.000 0.976 177 Y HN 0.856 nan 8.280 nan 0.000 0.520 178 A N 0.495 123.372 122.820 0.094 0.000 1.972 178 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 178 A C 1.951 179.543 177.584 0.015 0.000 1.169 178 A CA 1.821 53.884 52.037 0.044 0.000 0.635 178 A CB -0.622 18.393 19.000 0.026 0.000 0.810 178 A HN 0.666 nan 8.150 nan 0.000 0.446 179 E N -0.492 119.704 120.200 -0.006 0.000 2.474 179 E HA 0.133 4.482 4.350 -0.001 0.000 0.195 179 E C 1.288 177.868 176.600 -0.034 0.000 1.039 179 E CA 0.448 56.836 56.400 -0.019 0.000 0.881 179 E CB -0.183 29.501 29.700 -0.028 0.000 0.970 179 E HN 0.246 nan 8.360 nan 0.000 0.486 180 V N 2.139 122.033 119.914 -0.032 0.000 2.332 180 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 180 V C -0.494 175.562 176.094 -0.064 0.000 1.055 180 V CA 2.152 64.414 62.300 -0.064 0.000 1.038 180 V CB -1.143 30.665 31.823 -0.026 0.000 0.651 180 V HN 0.226 nan 8.190 nan 0.000 0.450 181 P HA -0.155 nan 4.420 nan 0.000 0.216 181 P C 1.707 178.996 177.300 -0.018 0.000 1.153 181 P CA 2.441 65.527 63.100 -0.024 0.000 0.858 181 P CB -0.045 31.648 31.700 -0.010 0.000 0.789 182 E N -0.024 120.169 120.200 -0.011 0.000 2.152 182 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 182 E C 2.021 178.629 176.600 0.014 0.000 0.983 182 E CA 1.043 57.446 56.400 0.006 0.000 0.818 182 E CB -1.015 28.690 29.700 0.009 0.000 0.758 182 E HN 0.097 nan 8.360 nan 0.000 0.467 183 R N 0.021 120.506 120.500 -0.025 0.000 2.073 183 R HA 0.182 4.522 4.340 -0.001 0.000 0.229 183 R C 2.670 178.923 176.300 -0.079 0.000 1.120 183 R CA 1.341 57.416 56.100 -0.042 0.000 0.967 183 R CB -1.189 29.015 30.300 -0.161 0.000 0.862 183 R HN 0.479 nan 8.270 nan 0.000 0.436 184 A N 1.695 124.439 122.820 -0.127 0.000 1.908 184 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 184 A C 2.515 180.134 177.584 0.057 0.000 1.181 184 A CA 2.841 54.826 52.037 -0.086 0.000 0.627 184 A CB -0.656 18.296 19.000 -0.080 0.000 0.818 184 A HN 0.384 nan 8.150 nan 0.000 0.445 185 K N -0.593 119.837 120.400 0.051 0.000 2.057 185 K HA 0.202 4.521 4.320 -0.001 0.000 0.207 185 K C 2.351 179.022 176.600 0.118 0.000 1.049 185 K CA 1.877 58.206 56.287 0.071 0.000 0.931 185 K CB -1.406 31.120 32.500 0.044 0.000 0.714 185 K HN 0.971 nan 8.250 nan 0.000 0.440 186 A N -0.728 122.185 122.820 0.155 0.000 2.019 186 A HA -0.011 4.308 4.320 -0.001 0.000 0.219 186 A C 2.000 179.746 177.584 0.270 0.000 1.164 186 A CA 1.312 53.465 52.037 0.192 0.000 0.644 186 A CB -0.580 18.549 19.000 0.215 0.000 0.805 186 A HN 0.765 nan 8.150 nan 0.000 0.449 187 W N -1.031 120.268 121.300 -0.002 0.000 3.139 187 W HA 0.366 5.026 4.660 -0.001 0.000 0.260 187 W C 1.582 178.100 176.519 -0.002 0.000 1.312 187 W CA 0.404 57.747 57.345 -0.002 0.000 1.606 187 W CB -0.284 29.174 29.460 -0.003 0.000 1.118 187 W HN 0.565 nan 8.180 nan 0.000 0.675 188 G N 0.319 109.237 108.800 0.198 0.000 2.137 188 G HA2 0.135 4.094 3.960 -0.001 0.000 0.237 188 G HA3 0.135 4.094 3.960 -0.001 0.000 0.237 188 G C 0.647 175.615 174.900 0.113 0.000 1.002 188 G CA 0.074 45.243 45.100 0.114 0.000 0.702 188 G HN 0.995 nan 8.290 nan 0.000 0.515 189 G N -1.739 107.141 108.800 0.133 0.000 2.705 189 G HA2 0.172 4.131 3.960 -0.001 0.000 0.686 189 G HA3 0.172 4.131 3.960 -0.001 0.000 0.686 189 G C -0.250 174.717 174.900 0.112 0.000 1.285 189 G CA -0.260 44.894 45.100 0.090 0.000 0.800 189 G HN 1.250 nan 8.290 nan 0.000 0.611 190 L N 1.016 122.276 121.223 0.062 0.000 2.360 190 L HA 0.472 4.811 4.340 -0.001 0.000 0.271 190 L C 0.936 177.835 176.870 0.048 0.000 1.057 190 L CA -1.047 53.830 54.840 0.061 0.000 0.803 190 L CB 1.231 43.284 42.059 -0.011 0.000 1.207 190 L HN 0.639 nan 8.230 nan 0.000 0.445 191 D N 1.191 121.625 120.400 0.057 0.000 2.216 191 D HA 0.172 4.812 4.640 -0.001 0.000 0.208 191 D C -0.042 176.268 176.300 0.016 0.000 0.960 191 D CA 1.233 55.255 54.000 0.037 0.000 0.861 191 D CB 0.566 41.391 40.800 0.042 0.000 0.985 191 D HN 0.125 nan 8.370 nan 0.000 0.493 192 L N -0.166 121.062 121.223 0.008 0.000 2.393 192 L HA 0.434 4.773 4.340 -0.001 0.000 0.260 192 L C -0.795 176.056 176.870 -0.032 0.000 1.002 192 L CA -0.821 54.011 54.840 -0.014 0.000 0.818 192 L CB 2.969 45.014 42.059 -0.023 0.000 1.369 192 L HN -0.374 nan 8.230 nan 0.000 0.412 193 V N 2.763 122.653 119.914 -0.039 0.000 2.623 193 V HA 0.436 4.556 4.120 -0.001 0.000 0.304 193 V C -0.650 175.404 176.094 -0.066 0.000 1.054 193 V CA -0.487 61.780 62.300 -0.055 0.000 0.882 193 V CB 2.177 33.972 31.823 -0.046 0.000 1.002 193 V HN 0.489 nan 8.190 nan 0.000 0.424 194 L N 4.357 125.526 121.223 -0.090 0.000 2.272 194 L HA 0.481 4.820 4.340 -0.001 0.000 0.284 194 L C 0.240 177.033 176.870 -0.128 0.000 1.045 194 L CA -0.318 54.452 54.840 -0.117 0.000 0.842 194 L CB 0.856 42.833 42.059 -0.135 0.000 1.224 194 L HN 0.565 nan 8.230 nan 0.000 0.430 195 E N 2.840 122.954 120.200 -0.144 0.000 2.152 195 E HA 0.114 4.463 4.350 -0.001 0.000 0.285 195 E C 0.568 176.979 176.600 -0.315 0.000 1.043 195 E CA 0.003 56.274 56.400 -0.215 0.000 0.839 195 E CB 1.884 31.452 29.700 -0.220 0.000 1.069 195 E HN 0.495 nan 8.360 nan 0.000 0.399 196 V N 1.668 121.419 119.914 -0.272 0.000 3.562 196 V HA 0.177 4.297 4.120 -0.001 0.000 0.270 196 V C 1.629 177.551 176.094 -0.287 0.000 1.418 196 V CA -0.202 61.936 62.300 -0.271 0.000 1.033 196 V CB 0.278 31.990 31.823 -0.185 0.000 0.820 196 V HN 0.312 nan 8.190 nan 0.000 0.441 197 R N 1.863 122.193 120.500 -0.282 0.000 2.062 197 R HA 0.129 4.468 4.340 -0.001 0.000 0.229 197 R C 2.259 178.417 176.300 -0.237 0.000 1.128 197 R CA 1.472 57.405 56.100 -0.280 0.000 0.960 197 R CB -0.952 29.141 30.300 -0.345 0.000 0.855 197 R HN 0.849 nan 8.270 nan 0.000 0.432 198 G N 0.069 108.715 108.800 -0.256 0.000 2.257 198 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.267 198 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.267 198 G C 1.150 176.060 174.900 0.017 0.000 0.984 198 G CA 1.709 46.725 45.100 -0.140 0.000 0.626 198 G HN 0.629 nan 8.290 nan 0.000 0.540 199 K N -0.239 120.127 120.400 -0.056 0.000 1.993 199 K HA 0.551 4.870 4.320 -0.001 0.000 0.222 199 K C 1.819 178.411 176.600 -0.014 0.000 1.021 199 K CA 2.372 58.638 56.287 -0.035 0.000 1.023 199 K CB -1.496 30.957 32.500 -0.079 0.000 0.799 199 K HN 1.856 nan 8.250 nan 0.000 0.444 200 E N 1.400 121.576 120.200 -0.041 0.000 2.467 200 E HA 0.414 4.763 4.350 -0.001 0.000 0.321 200 E C 1.197 177.788 176.600 -0.015 0.000 1.388 200 E CA 0.286 56.670 56.400 -0.026 0.000 1.508 200 E CB -1.002 28.675 29.700 -0.039 0.000 1.250 200 E HN 0.395 nan 8.360 nan 0.000 0.500 201 V N 0.904 120.830 119.914 0.020 0.000 2.469 201 V HA -0.247 3.872 4.120 -0.001 0.000 0.251 201 V C 3.052 179.160 176.094 0.023 0.000 1.064 201 V CA 2.485 64.813 62.300 0.046 0.000 1.066 201 V CB -0.860 31.044 31.823 0.135 0.000 0.667 201 V HN 0.852 nan 8.190 nan 0.000 0.461 202 E N -0.078 120.129 120.200 0.012 0.000 2.153 202 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 202 E C 1.990 178.588 176.600 -0.003 0.000 0.988 202 E CA 1.380 57.782 56.400 0.004 0.000 0.811 202 E CB -0.376 29.323 29.700 -0.001 0.000 0.746 202 E HN 0.714 nan 8.360 nan 0.000 0.466 203 E N 0.385 120.579 120.200 -0.010 0.000 2.107 203 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 203 E C 2.422 179.011 176.600 -0.019 0.000 0.982 203 E CA 1.206 57.596 56.400 -0.017 0.000 0.809 203 E CB -0.286 29.399 29.700 -0.026 0.000 0.756 203 E HN 0.480 nan 8.360 nan 0.000 0.459 204 S N 1.190 116.876 115.700 -0.022 0.000 2.382 204 S HA -0.047 4.422 4.470 -0.001 0.000 0.228 204 S C 2.114 176.706 174.600 -0.014 0.000 1.027 204 S CA 0.592 58.776 58.200 -0.026 0.000 0.991 204 S CB -0.168 63.015 63.200 -0.029 0.000 0.823 204 S HN 0.174 nan 8.310 nan 0.000 0.469 205 L N 0.915 122.137 121.223 -0.002 0.000 2.201 205 L HA -0.043 4.296 4.340 -0.001 0.000 0.212 205 L C 2.558 179.427 176.870 -0.001 0.000 1.105 205 L CA 1.004 55.845 54.840 0.002 0.000 0.775 205 L CB -0.750 41.314 42.059 0.008 0.000 0.913 205 L HN 0.407 nan 8.230 nan 0.000 0.440 206 G N -0.352 108.446 108.800 -0.004 0.000 2.598 206 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.215 206 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.215 206 G C 1.475 176.373 174.900 -0.004 0.000 1.131 206 G CA 0.149 45.247 45.100 -0.003 0.000 0.785 206 G HN 0.300 nan 8.290 nan 0.000 0.539 207 L N -0.217 120.999 121.223 -0.011 0.000 2.446 207 L HA 0.313 4.652 4.340 -0.001 0.000 0.219 207 L C 0.870 177.736 176.870 -0.006 0.000 1.116 207 L CA -0.223 54.607 54.840 -0.017 0.000 0.844 207 L CB -0.178 41.858 42.059 -0.038 0.000 0.970 207 L HN 0.067 nan 8.230 nan 0.000 0.457 208 L N 0.385 121.607 121.223 -0.001 0.000 2.417 208 L HA 0.374 4.713 4.340 -0.001 0.000 0.268 208 L C 0.626 177.507 176.870 0.017 0.000 1.158 208 L CA -0.360 54.485 54.840 0.008 0.000 0.819 208 L CB 0.872 42.935 42.059 0.006 0.000 1.112 208 L HN 0.018 nan 8.230 nan 0.000 0.458 209 A N 0.661 123.496 122.820 0.026 0.000 2.242 209 A HA 0.592 4.911 4.320 -0.001 0.000 0.304 209 A C 0.258 177.855 177.584 0.021 0.000 1.100 209 A CA -0.021 52.033 52.037 0.028 0.000 0.860 209 A CB -0.010 19.014 19.000 0.040 0.000 1.168 209 A HN 0.884 nan 8.150 nan 0.000 0.503 210 H N -1.332 117.749 119.070 0.019 0.000 3.140 210 H HA 0.418 4.973 4.556 -0.001 0.000 0.316 210 H C 1.775 177.111 175.328 0.014 0.000 0.986 210 H CA 0.617 56.674 56.048 0.015 0.000 1.397 210 H CB -0.294 29.476 29.762 0.013 0.000 1.377 210 H HN 2.534 nan 8.280 nan 0.000 0.585 211 G N 1.316 110.123 108.800 0.011 0.000 2.162 211 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.260 211 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.260 211 G C 1.114 176.020 174.900 0.011 0.000 0.976 211 G CA 0.857 45.963 45.100 0.010 0.000 0.655 211 G HN 1.906 nan 8.290 nan 0.000 0.533 212 G N 0.034 108.841 108.800 0.012 0.000 2.544 212 G HA2 0.556 4.515 3.960 -0.001 0.000 0.242 212 G HA3 0.556 4.515 3.960 -0.001 0.000 0.242 212 G C 0.265 175.170 174.900 0.009 0.000 1.247 212 G CA 0.187 45.294 45.100 0.012 0.000 0.840 212 G HN 0.980 nan 8.290 nan 0.000 0.578 213 R N 1.411 121.915 120.500 0.006 0.000 2.574 213 R HA 0.488 4.827 4.340 -0.001 0.000 0.288 213 R C -1.728 174.576 176.300 0.006 0.000 1.004 213 R CA -0.996 55.109 56.100 0.008 0.000 0.895 213 R CB 1.691 31.995 30.300 0.007 0.000 1.191 213 R HN 0.444 nan 8.270 nan 0.000 0.444 214 L N 2.455 123.690 121.223 0.020 0.000 2.296 214 L HA 0.456 4.795 4.340 -0.001 0.000 0.286 214 L C -0.994 175.908 176.870 0.052 0.000 1.023 214 L CA -0.908 53.948 54.840 0.027 0.000 0.812 214 L CB 1.782 43.867 42.059 0.043 0.000 1.223 214 L HN 0.464 nan 8.230 nan 0.000 0.421 215 V N 5.356 125.288 119.914 0.031 0.000 2.333 215 V HA 0.162 4.281 4.120 -0.001 0.000 0.274 215 V C -0.687 175.459 176.094 0.087 0.000 1.028 215 V CA -0.448 61.887 62.300 0.057 0.000 0.851 215 V CB 0.913 32.716 31.823 -0.033 0.000 1.000 215 V HN 0.575 nan 8.190 nan 0.000 0.456 216 Y N 6.527 126.856 120.300 0.049 0.000 2.556 216 Y HA 0.526 5.076 4.550 -0.001 0.000 0.352 216 Y C 0.177 176.141 175.900 0.106 0.000 1.006 216 Y CA -0.005 58.125 58.100 0.049 0.000 1.277 216 Y CB 0.221 38.706 38.460 0.042 0.000 1.136 216 Y HN 0.537 nan 8.280 nan 0.000 0.523 226 P HA 0.376 nan 4.420 nan 0.000 0.271 226 P C -0.397 176.884 177.300 -0.031 0.000 1.233 226 P CA 0.063 63.139 63.100 -0.039 0.000 0.795 226 P CB 0.443 32.123 31.700 -0.034 0.000 0.936 227 I N 1.648 122.194 120.570 -0.040 0.000 2.382 227 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 227 I C -2.241 173.862 176.117 -0.023 0.000 1.007 227 I CA -2.182 59.101 61.300 -0.027 0.000 1.142 227 I CB 1.623 39.603 38.000 -0.034 0.000 1.289 227 I HN 0.161 nan 8.210 nan 0.000 0.453 228 P HA 0.190 nan 4.420 nan 0.000 0.269 228 P C -2.437 174.856 177.300 -0.012 0.000 1.252 228 P CA -1.020 62.072 63.100 -0.013 0.000 0.780 228 P CB -0.059 31.635 31.700 -0.010 0.000 0.829 229 P HA 0.165 nan 4.420 nan 0.000 0.249 229 P C 0.438 177.734 177.300 -0.008 0.000 1.737 229 P CA 0.697 63.790 63.100 -0.011 0.000 1.128 229 P CB -0.262 31.430 31.700 -0.013 0.000 1.942 230 L N 0.529 121.748 121.223 -0.006 0.000 3.003 230 L HA 0.191 4.530 4.340 -0.001 0.000 0.335 230 L C 2.143 179.011 176.870 -0.002 0.000 1.038 230 L CA 0.536 55.374 54.840 -0.004 0.000 1.555 230 L CB -1.061 40.995 42.059 -0.004 0.000 2.586 230 L HN 0.119 nan 8.230 nan 0.000 0.563 231 R N 0.533 121.032 120.500 -0.002 0.000 2.148 231 R HA 0.495 4.834 4.340 -0.001 0.000 0.223 231 R C 1.344 177.645 176.300 0.001 0.000 1.088 231 R CA 1.313 57.413 56.100 -0.001 0.000 0.985 231 R CB -0.901 29.398 30.300 -0.001 0.000 0.880 231 R HN 0.768 nan 8.270 nan 0.000 0.451 235 R N 1.052 121.555 120.500 0.005 0.000 2.507 235 R HA 0.276 4.616 4.340 -0.001 0.000 0.298 235 R C -0.503 175.801 176.300 0.007 0.000 0.999 235 R CA 0.032 56.136 56.100 0.007 0.000 1.082 235 R CB 0.230 30.535 30.300 0.008 0.000 1.246 235 R HN 0.582 nan 8.270 nan 0.000 0.553 236 N N 1.176 119.880 118.700 0.006 0.000 2.725 236 N HA -0.180 4.559 4.740 -0.001 0.000 0.251 236 N C -0.920 174.594 175.510 0.007 0.000 1.031 236 N CA 0.341 53.394 53.050 0.005 0.000 0.720 236 N CB -0.870 37.621 38.487 0.006 0.000 0.930 236 N HN 0.216 nan 8.380 nan 0.000 0.543 237 L N -0.336 120.891 121.223 0.007 0.000 2.439 237 L HA 0.754 5.093 4.340 -0.001 0.000 0.259 237 L C 0.815 177.690 176.870 0.009 0.000 1.129 237 L CA -0.678 54.167 54.840 0.008 0.000 0.803 237 L CB 1.062 43.126 42.059 0.008 0.000 1.161 237 L HN 0.226 nan 8.230 nan 0.000 0.462 238 A N 1.305 124.132 122.820 0.012 0.000 2.435 238 A HA 0.783 5.102 4.320 -0.001 0.000 0.304 238 A C -1.230 176.368 177.584 0.023 0.000 1.064 238 A CA -0.477 51.569 52.037 0.015 0.000 0.727 238 A CB 1.959 20.968 19.000 0.015 0.000 1.284 238 A HN 0.342 nan 8.150 nan 0.000 0.415 239 V N 2.252 122.181 119.914 0.025 0.000 2.444 239 V HA 0.456 4.575 4.120 -0.001 0.000 0.294 239 V C -1.219 174.905 176.094 0.050 0.000 1.022 239 V CA -0.291 62.034 62.300 0.041 0.000 0.850 239 V CB 1.112 32.950 31.823 0.025 0.000 0.992 239 V HN 0.678 nan 8.190 nan 0.000 0.426 240 L N 4.708 125.981 121.223 0.083 0.000 2.305 240 L HA 0.733 5.072 4.340 -0.001 0.000 0.284 240 L C 0.848 177.818 176.870 0.167 0.000 1.013 240 L CA 0.109 55.012 54.840 0.105 0.000 0.819 240 L CB 1.439 43.563 42.059 0.108 0.000 1.227 240 L HN 0.680 nan 8.230 nan 0.000 0.417 241 G N 1.807 110.692 108.800 0.141 0.000 2.432 241 G HA2 0.444 4.403 3.960 -0.001 0.000 0.257 241 G HA3 0.444 4.403 3.960 -0.001 0.000 0.257 241 G C -1.344 173.715 174.900 0.265 0.000 1.238 241 G CA -0.054 45.157 45.100 0.185 0.000 0.838 241 G HN 0.382 nan 8.290 nan 0.000 0.547 242 F N 2.062 122.115 119.950 0.172 0.000 2.569 242 F HA 0.679 5.206 4.527 -0.001 0.000 0.312 242 F C -1.870 174.102 175.800 0.288 0.000 1.109 242 F CA -1.539 56.569 58.000 0.180 0.000 0.919 242 F CB 2.098 41.175 39.000 0.129 0.000 1.211 242 F HN 0.483 nan 8.300 nan 0.000 0.446 243 W N 9.005 129.948 121.300 -0.595 0.000 2.934 243 W HA 0.274 4.933 4.660 -0.001 0.000 0.333 243 W C -0.570 175.632 176.519 -0.529 0.000 1.035 243 W CA -1.231 55.928 57.345 -0.310 0.000 1.256 243 W CB 1.233 30.594 29.460 -0.166 0.000 1.306 243 W HN 0.587 nan 8.180 nan 0.000 0.430 244 L N 3.890 124.946 121.223 -0.279 0.000 1.989 244 L HA -0.174 4.165 4.340 -0.001 0.000 0.211 244 L C 1.619 178.205 176.870 -0.474 0.000 1.071 244 L CA 2.831 57.509 54.840 -0.269 0.000 0.749 244 L CB -1.027 41.110 42.059 0.130 0.000 0.890 244 L HN 0.557 nan 8.230 nan 0.000 0.431 245 T N 1.129 115.226 114.554 -0.762 0.000 2.564 245 T HA -0.189 4.160 4.350 -0.001 0.000 0.264 245 T C -0.358 173.951 174.700 -0.652 0.000 1.100 245 T CA 2.524 64.170 62.100 -0.756 0.000 1.171 245 T CB -1.498 66.727 68.868 -1.072 0.000 0.863 245 T HN 0.336 nan 8.240 nan 0.000 0.430 246 P HA -0.001 nan 4.420 nan 0.000 0.218 246 P C 1.510 178.635 177.300 -0.292 0.000 1.148 246 P CA 0.892 63.716 63.100 -0.459 0.000 0.822 246 P CB -0.302 31.168 31.700 -0.383 0.000 0.784 247 L N -1.819 119.221 121.223 -0.305 0.000 2.131 247 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 247 L C 1.953 178.753 176.870 -0.117 0.000 1.092 247 L CA 0.816 55.547 54.840 -0.183 0.000 0.759 247 L CB -1.032 40.920 42.059 -0.179 0.000 0.903 247 L HN -0.020 nan 8.230 nan 0.000 0.435 248 L N -0.018 121.123 121.223 -0.137 0.000 2.261 248 L HA -0.174 4.165 4.340 -0.001 0.000 0.216 248 L C 2.476 179.305 176.870 -0.068 0.000 1.114 248 L CA 1.564 56.354 54.840 -0.082 0.000 0.777 248 L CB -1.087 40.918 42.059 -0.090 0.000 0.910 248 L HN 0.249 nan 8.230 nan 0.000 0.440 249 R N -0.117 120.329 120.500 -0.090 0.000 2.307 249 R HA 0.003 4.342 4.340 -0.001 0.000 0.199 249 R C 0.079 176.351 176.300 -0.045 0.000 1.000 249 R CA 0.134 56.193 56.100 -0.067 0.000 1.023 249 R CB 0.007 30.258 30.300 -0.081 0.000 0.908 249 R HN 0.468 nan 8.270 nan 0.000 0.473 250 E N 0.391 120.567 120.200 -0.040 0.000 1.998 250 E HA 0.111 4.461 4.350 -0.001 0.000 0.257 250 E C 0.786 177.385 176.600 -0.002 0.000 1.038 250 E CA -0.417 55.971 56.400 -0.020 0.000 0.869 250 E CB 1.232 30.920 29.700 -0.020 0.000 1.135 250 E HN 0.230 nan 8.360 nan 0.000 0.430 251 G N 2.929 111.729 108.800 -0.001 0.000 2.547 251 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.221 251 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.221 251 G C 1.508 176.421 174.900 0.022 0.000 1.140 251 G CA 1.144 46.250 45.100 0.009 0.000 0.760 251 G HN 0.555 nan 8.290 nan 0.000 0.583 252 A N 0.402 123.235 122.820 0.022 0.000 1.865 252 A HA 0.060 4.380 4.320 -0.001 0.000 0.217 252 A C 2.490 180.104 177.584 0.049 0.000 1.191 252 A CA 1.472 53.529 52.037 0.033 0.000 0.623 252 A CB -0.488 18.528 19.000 0.028 0.000 0.826 252 A HN 0.369 nan 8.150 nan 0.000 0.444 253 L N -0.542 120.710 121.223 0.050 0.000 1.970 253 L HA -0.200 4.139 4.340 -0.001 0.000 0.212 253 L C 2.640 179.566 176.870 0.094 0.000 1.071 253 L CA 1.622 56.509 54.840 0.078 0.000 0.751 253 L CB -0.688 41.410 42.059 0.065 0.000 0.889 253 L HN 0.285 nan 8.230 nan 0.000 0.432 254 V N 0.308 120.262 119.914 0.066 0.000 2.231 254 V HA -0.359 3.760 4.120 -0.001 0.000 0.248 254 V C 3.026 179.156 176.094 0.060 0.000 1.054 254 V CA 2.576 64.913 62.300 0.063 0.000 1.015 254 V CB -1.309 30.539 31.823 0.041 0.000 0.638 254 V HN 0.659 nan 8.190 nan 0.000 0.444 255 E N -0.365 119.866 120.200 0.052 0.000 2.086 255 E HA -0.357 3.992 4.350 -0.001 0.000 0.200 255 E C 2.157 178.791 176.600 0.057 0.000 1.012 255 E CA 1.728 58.157 56.400 0.049 0.000 0.812 255 E CB -0.702 29.024 29.700 0.042 0.000 0.743 255 E HN 0.642 nan 8.360 nan 0.000 0.453 256 E N 0.018 120.263 120.200 0.075 0.000 2.051 256 E HA -0.078 4.271 4.350 -0.001 0.000 0.192 256 E C 2.434 179.070 176.600 0.061 0.000 0.991 256 E CA 1.448 57.908 56.400 0.099 0.000 0.799 256 E CB -0.568 29.215 29.700 0.137 0.000 0.748 256 E HN 0.516 nan 8.360 nan 0.000 0.449 257 A N 1.139 123.979 122.820 0.033 0.000 1.877 257 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 257 A C 2.505 179.976 177.584 -0.189 0.000 1.186 257 A CA 1.416 53.292 52.037 -0.269 0.000 0.620 257 A CB -0.768 18.223 19.000 -0.014 0.000 0.822 257 A HN 0.302 nan 8.150 nan 0.000 0.443 258 L N -0.766 120.449 121.223 -0.013 0.000 2.141 258 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 258 L C 2.703 179.592 176.870 0.032 0.000 1.094 258 L CA 0.904 55.771 54.840 0.045 0.000 0.763 258 L CB -0.790 41.311 42.059 0.071 0.000 0.908 258 L HN 0.510 nan 8.230 nan 0.000 0.437 259 G N -0.643 108.178 108.800 0.035 0.000 2.471 259 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.219 259 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.219 259 G C 1.395 176.332 174.900 0.063 0.000 1.125 259 G CA 0.317 45.444 45.100 0.046 0.000 0.775 259 G HN 0.347 nan 8.290 nan 0.000 0.548 260 F N 0.134 120.010 119.950 -0.122 0.000 2.437 260 F HA 0.366 4.892 4.527 -0.001 0.000 0.288 260 F C 2.210 177.956 175.800 -0.090 0.000 1.085 260 F CA 0.251 58.182 58.000 -0.116 0.000 1.430 260 F CB 0.123 38.999 39.000 -0.207 0.000 1.120 260 F HN -0.006 nan 8.300 nan 0.000 0.556 261 L N -0.086 121.179 121.223 0.070 0.000 2.068 261 L HA -0.132 4.207 4.340 -0.001 0.000 0.204 261 L C 2.368 179.234 176.870 -0.006 0.000 1.076 261 L CA 0.905 55.816 54.840 0.117 0.000 0.753 261 L CB -0.821 41.423 42.059 0.309 0.000 0.910 261 L HN 0.153 nan 8.230 nan 0.000 0.439 262 L N 0.032 121.244 121.223 -0.018 0.000 2.013 262 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 262 L C -0.154 176.626 176.870 -0.149 0.000 1.073 262 L CA 1.593 56.365 54.840 -0.113 0.000 0.753 262 L CB -1.855 40.167 42.059 -0.061 0.000 0.890 262 L HN 0.230 nan 8.230 nan 0.000 0.432 263 P HA -0.117 nan 4.420 nan 0.000 0.228 263 P C 1.130 178.334 177.300 -0.159 0.000 1.151 263 P CA 1.226 64.245 63.100 -0.135 0.000 0.770 263 P CB 0.010 31.634 31.700 -0.126 0.000 0.786 264 R N -1.789 118.599 120.500 -0.186 0.000 2.308 264 R HA 0.217 4.556 4.340 -0.001 0.000 0.202 264 R C 0.700 176.902 176.300 -0.164 0.000 0.898 264 R CA -0.322 55.678 56.100 -0.168 0.000 1.046 264 R CB -0.039 30.147 30.300 -0.189 0.000 1.026 264 R HN 0.210 nan 8.270 nan 0.000 0.512 265 L N 1.473 122.554 121.223 -0.237 0.000 2.477 265 L HA 0.037 4.377 4.340 -0.001 0.000 0.272 265 L C 0.734 177.448 176.870 -0.259 0.000 1.157 265 L CA 0.956 55.585 54.840 -0.351 0.000 0.889 265 L CB 0.656 42.355 42.059 -0.600 0.000 1.158 265 L HN 0.601 nan 8.230 nan 0.000 0.473 266 G N 3.817 112.489 108.800 -0.214 0.000 2.195 266 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.246 266 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.246 266 G C 0.839 175.679 174.900 -0.099 0.000 0.984 266 G CA 0.512 45.523 45.100 -0.148 0.000 0.633 266 G HN 0.678 nan 8.290 nan 0.000 0.525 267 R N -0.266 120.177 120.500 -0.095 0.000 1.895 267 R HA 0.278 4.617 4.340 -0.001 0.000 0.129 267 R C 2.107 178.385 176.300 -0.036 0.000 2.021 267 R CA 0.284 56.346 56.100 -0.064 0.000 1.709 267 R CB -0.394 29.862 30.300 -0.073 0.000 1.397 267 R HN 0.247 nan 8.270 nan 0.000 0.484 268 E N 1.782 121.964 120.200 -0.031 0.000 2.358 268 E HA -0.020 4.329 4.350 -0.001 0.000 0.195 268 E C 0.297 176.927 176.600 0.051 0.000 1.010 268 E CA 0.670 57.075 56.400 0.009 0.000 0.856 268 E CB 0.193 29.899 29.700 0.009 0.000 0.795 268 E HN 0.288 nan 8.360 nan 0.000 0.504 269 L N 2.510 123.750 121.223 0.028 0.000 2.277 269 L HA 0.367 4.706 4.340 -0.001 0.000 0.284 269 L C -0.165 176.699 176.870 -0.010 0.000 1.028 269 L CA -0.543 54.352 54.840 0.092 0.000 0.835 269 L CB 0.916 43.026 42.059 0.084 0.000 1.215 269 L HN -0.226 nan 8.230 nan 0.000 0.425 270 R N 3.578 124.133 120.500 0.091 0.000 2.352 270 R HA 0.382 4.721 4.340 -0.001 0.000 0.304 270 R C -2.630 173.768 176.300 0.163 0.000 1.104 270 R CA -2.299 53.830 56.100 0.049 0.000 0.991 270 R CB 1.260 31.587 30.300 0.046 0.000 1.140 270 R HN 0.231 nan 8.270 nan 0.000 0.540 271 P HA -0.050 nan 4.420 nan 0.000 0.264 271 P C -0.153 177.278 177.300 0.218 0.000 1.183 271 P CA 0.051 63.344 63.100 0.321 0.000 0.763 271 P CB 0.575 32.399 31.700 0.208 0.000 0.807 272 V N 5.339 125.388 119.914 0.226 0.000 2.368 272 V HA 0.076 4.195 4.120 -0.001 0.000 0.266 272 V C 0.493 176.662 176.094 0.125 0.000 1.045 272 V CA -0.393 61.990 62.300 0.138 0.000 0.899 272 V CB 0.987 32.874 31.823 0.106 0.000 1.006 272 V HN 0.249 nan 8.190 nan 0.000 0.470 273 V N 5.391 125.364 119.914 0.098 0.000 2.530 273 V HA 0.566 4.685 4.120 -0.001 0.000 0.282 273 V C 1.026 177.170 176.094 0.083 0.000 1.048 273 V CA 0.595 62.950 62.300 0.091 0.000 0.997 273 V CB 0.967 32.830 31.823 0.068 0.000 0.987 273 V HN 0.937 nan 8.190 nan 0.000 0.477 274 G N 5.417 114.280 108.800 0.105 0.000 3.392 274 G HA2 0.462 4.421 3.960 -0.001 0.000 0.188 274 G HA3 0.462 4.421 3.960 -0.001 0.000 0.188 274 G C -2.632 172.312 174.900 0.074 0.000 1.485 274 G CA -0.820 44.348 45.100 0.113 0.000 0.943 274 G HN 0.599 nan 8.290 nan 0.000 0.627 275 P HA 0.344 nan 4.420 nan 0.000 0.267 275 P C -0.770 176.490 177.300 -0.066 0.000 1.205 275 P CA -0.097 62.978 63.100 -0.042 0.000 0.765 275 P CB 1.357 33.116 31.700 0.098 0.000 0.828 276 V N 5.338 125.108 119.914 -0.239 0.000 2.384 276 V HA 0.394 4.513 4.120 -0.001 0.000 0.287 276 V C -0.225 175.681 176.094 -0.312 0.000 1.020 276 V CA -0.272 61.956 62.300 -0.120 0.000 0.850 276 V CB 0.334 32.126 31.823 -0.053 0.000 0.987 276 V HN 0.371 nan 8.190 nan 0.000 0.436 277 F N 5.730 125.683 119.950 0.005 0.000 2.480 277 F HA 0.606 5.132 4.527 -0.001 0.000 0.329 277 F C -2.161 173.671 175.800 0.053 0.000 1.091 277 F CA -2.584 55.422 58.000 0.010 0.000 0.972 277 F CB 1.803 40.784 39.000 -0.032 0.000 1.150 277 F HN 0.309 nan 8.300 nan 0.000 0.467 278 P HA 0.107 nan 4.420 nan 0.000 0.274 278 P C 0.701 178.186 177.300 0.309 0.000 1.237 278 P CA -0.211 63.027 63.100 0.231 0.000 0.793 278 P CB 0.654 32.464 31.700 0.183 0.000 0.977 279 F N 2.449 122.516 119.950 0.195 0.000 2.087 279 F HA -0.346 4.180 4.527 -0.001 0.000 0.299 279 F C 2.101 178.150 175.800 0.415 0.000 1.100 279 F CA 2.248 60.418 58.000 0.283 0.000 1.226 279 F CB -0.461 38.687 39.000 0.246 0.000 0.983 279 F HN 0.333 nan 8.300 nan 0.000 0.479 280 A N -0.482 122.574 122.820 0.393 0.000 2.024 280 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 280 A C 1.670 179.403 177.584 0.247 0.000 1.164 280 A CA 1.806 54.053 52.037 0.350 0.000 0.643 280 A CB -0.726 18.436 19.000 0.270 0.000 0.806 280 A HN 0.611 nan 8.150 nan 0.000 0.451 281 E N -0.375 119.910 120.200 0.141 0.000 2.349 281 E HA 0.404 4.753 4.350 -0.001 0.000 0.201 281 E C 1.543 178.028 176.600 -0.191 0.000 1.087 281 E CA 0.105 56.531 56.400 0.044 0.000 1.128 281 E CB 0.057 29.886 29.700 0.215 0.000 1.188 281 E HN 0.586 nan 8.360 nan 0.000 0.445 282 A N 1.514 124.064 122.820 -0.449 0.000 1.903 282 A HA -0.286 4.033 4.320 -0.001 0.000 0.219 282 A C 2.021 179.313 177.584 -0.488 0.000 1.191 282 A CA 1.440 53.064 52.037 -0.688 0.000 0.638 282 A CB -0.167 17.877 19.000 -1.592 0.000 0.823 282 A HN 0.198 nan 8.150 nan 0.000 0.451 283 E N -0.378 119.501 120.200 -0.535 0.000 2.085 283 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 283 E C 2.403 178.860 176.600 -0.239 0.000 0.994 283 E CA 1.273 57.485 56.400 -0.314 0.000 0.801 283 E CB -0.591 28.943 29.700 -0.277 0.000 0.743 283 E HN 0.611 nan 8.360 nan 0.000 0.453 284 A N 1.557 124.205 122.820 -0.287 0.000 1.908 284 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 284 A C 2.455 179.577 177.584 -0.769 0.000 1.181 284 A CA 2.206 54.041 52.037 -0.337 0.000 0.627 284 A CB -0.634 18.283 19.000 -0.139 0.000 0.818 284 A HN 0.283 nan 8.150 nan 0.000 0.445 285 A N -1.380 120.756 122.820 -1.141 0.000 1.908 285 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 285 A C 1.964 179.122 177.584 -0.709 0.000 1.181 285 A CA 1.570 52.769 52.037 -1.396 0.000 0.627 285 A CB -0.754 17.690 19.000 -0.927 0.000 0.818 285 A HN 0.469 nan 8.150 nan 0.000 0.445 286 F N -0.116 119.552 119.950 -0.471 0.000 2.171 286 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 286 F C 2.580 178.240 175.800 -0.234 0.000 1.090 286 F CA 1.651 59.481 58.000 -0.284 0.000 1.293 286 F CB -0.131 38.729 39.000 -0.233 0.000 1.013 286 F HN 0.129 nan 8.300 nan 0.000 0.486 287 R N -0.444 120.003 120.500 -0.088 0.000 2.115 287 R HA -0.037 4.302 4.340 -0.001 0.000 0.226 287 R C 2.358 178.582 176.300 -0.127 0.000 1.100 287 R CA 0.920 56.972 56.100 -0.081 0.000 0.980 287 R CB -0.630 29.625 30.300 -0.075 0.000 0.875 287 R HN 0.235 nan 8.270 nan 0.000 0.445 288 A N 1.183 123.860 122.820 -0.239 0.000 2.070 288 A HA -0.108 4.212 4.320 -0.001 0.000 0.220 288 A C 2.054 179.404 177.584 -0.390 0.000 1.159 288 A CA 1.029 52.918 52.037 -0.247 0.000 0.656 288 A CB -0.418 18.442 19.000 -0.235 0.000 0.800 288 A HN 0.189 nan 8.150 nan 0.000 0.453 289 L N -0.867 120.185 121.223 -0.285 0.000 2.201 289 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 289 L C 2.017 178.900 176.870 0.023 0.000 1.105 289 L CA 0.717 55.467 54.840 -0.150 0.000 0.775 289 L CB -0.291 41.728 42.059 -0.068 0.000 0.913 289 L HN 0.388 nan 8.230 nan 0.000 0.440 290 L N -1.241 119.964 121.223 -0.031 0.000 2.529 290 L HA 0.056 4.396 4.340 -0.001 0.000 0.223 290 L C 0.487 177.392 176.870 0.058 0.000 1.113 290 L CA -0.127 54.716 54.840 0.006 0.000 0.861 290 L CB -0.246 41.776 42.059 -0.061 0.000 1.012 290 L HN 0.108 nan 8.230 nan 0.000 0.461 291 D N 1.309 121.758 120.400 0.082 0.000 2.374 291 D HA 0.150 4.789 4.640 -0.001 0.000 0.240 291 D C 1.452 177.903 176.300 0.252 0.000 1.229 291 D CA 0.187 54.270 54.000 0.137 0.000 0.895 291 D CB 1.087 41.960 40.800 0.121 0.000 1.046 291 D HN 0.058 nan 8.370 nan 0.000 0.498 292 R N 3.061 123.634 120.500 0.121 0.000 2.200 292 R HA -0.068 4.272 4.340 -0.001 0.000 0.234 292 R C 2.116 178.426 176.300 0.016 0.000 1.127 292 R CA 1.739 57.870 56.100 0.052 0.000 0.989 292 R CB -1.509 28.802 30.300 0.018 0.000 0.869 292 R HN 0.569 nan 8.270 nan 0.000 0.459 293 G N 1.389 110.228 108.800 0.065 0.000 2.448 293 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 293 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 293 G C 0.918 175.846 174.900 0.047 0.000 1.127 293 G CA 0.642 45.768 45.100 0.043 0.000 0.766 293 G HN 0.965 nan 8.290 nan 0.000 0.552 294 H N 0.756 119.841 119.070 0.025 0.000 2.771 294 H HA 0.363 4.918 4.556 -0.001 0.000 0.364 294 H C -0.389 174.952 175.328 0.022 0.000 1.133 294 H CA 0.693 56.761 56.048 0.034 0.000 1.423 294 H CB 0.421 30.220 29.762 0.061 0.000 1.425 294 H HN 0.088 nan 8.280 nan 0.000 0.606 295 T N -0.285 114.225 114.554 -0.073 0.000 2.908 295 T HA 0.583 4.932 4.350 -0.001 0.000 0.290 295 T C 0.523 175.226 174.700 0.006 0.000 1.034 295 T CA -0.088 61.934 62.100 -0.130 0.000 1.010 295 T CB 1.684 70.517 68.868 -0.057 0.000 1.068 295 T HN 1.238 nan 8.240 nan 0.000 0.481 296 G N 1.430 110.225 108.800 -0.009 0.000 2.693 296 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.226 296 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.226 296 G C -0.610 174.386 174.900 0.161 0.000 1.354 296 G CA -0.140 45.006 45.100 0.076 0.000 0.873 296 G HN 0.998 nan 8.290 nan 0.000 0.562 297 K N -0.650 119.846 120.400 0.159 0.000 2.249 297 K HA 0.574 4.893 4.320 -0.001 0.000 0.280 297 K C 0.278 176.973 176.600 0.158 0.000 1.033 297 K CA -0.365 56.020 56.287 0.164 0.000 0.946 297 K CB 1.268 33.854 32.500 0.144 0.000 1.005 297 K HN 0.698 nan 8.250 nan 0.000 0.469 298 V N 5.307 125.290 119.914 0.116 0.000 2.432 298 V HA 0.269 4.388 4.120 -0.001 0.000 0.271 298 V C -0.429 175.706 176.094 0.068 0.000 1.046 298 V CA -0.595 61.749 62.300 0.074 0.000 0.945 298 V CB 1.128 32.899 31.823 -0.088 0.000 0.992 298 V HN 0.507 nan 8.190 nan 0.000 0.471 299 V N 5.660 125.652 119.914 0.130 0.000 2.656 299 V HA 0.479 4.599 4.120 -0.001 0.000 0.307 299 V C -0.284 175.903 176.094 0.156 0.000 1.051 299 V CA -0.685 61.680 62.300 0.109 0.000 0.893 299 V CB 2.342 34.225 31.823 0.100 0.000 0.999 299 V HN 0.559 nan 8.190 nan 0.000 0.426 300 V N 4.924 124.910 119.914 0.120 0.000 2.398 300 V HA 0.557 4.676 4.120 -0.001 0.000 0.286 300 V C 0.106 176.308 176.094 0.180 0.000 1.026 300 V CA -0.694 61.705 62.300 0.165 0.000 0.868 300 V CB 1.599 33.495 31.823 0.122 0.000 0.982 300 V HN 0.685 nan 8.190 nan 0.000 0.443 301 R N 3.615 124.229 120.500 0.189 0.000 2.393 301 R HA 0.615 4.954 4.340 -0.001 0.000 0.310 301 R C -0.921 175.494 176.300 0.191 0.000 0.968 301 R CA -0.608 55.584 56.100 0.155 0.000 0.867 301 R CB 1.566 31.930 30.300 0.107 0.000 1.124 301 R HN 0.512 nan 8.270 nan 0.000 0.450 302 L N 0.000 121.307 121.223 0.140 0.000 2.949 302 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 302 L CA 0.000 54.887 54.840 0.078 0.000 0.813 302 L CB 0.000 42.031 42.059 -0.048 0.000 0.961 302 L HN 0.000 nan 8.230 nan 0.000 0.502