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 3b8w_1_D DATA FIRST_RESID 3 DATA SEQUENCE AATVVINRRA LRHNLQRLRE LAPASKMVAV VKANAYGHGL LETARTLPDA DATA SEQUENCE DAFGVARLEE ALRLRAGGIT KPVLLLEGFF DARDLPTISA QHFHTAVHNE DATA SEQUENCE EQLAALEEAS LDEPVTVWMX LDTGMHRLGV RPEQAEAFYH RLTQCKNVRQ DATA SEQUENCE PVNIVSHFAR ADEPKCGATE KQLAIFNTFC EGKPGQRSIA ASGGILLWPQ DATA SEQUENCE SHFDWVRPGI ILYGVSPLPD RSTGADFGCQ PVMSLTSSLI AVREHKAGEP DATA SEQUENCE VGYGGTWVSE RDTRLGVVAM GYGDGYPRAA PSGTPVLVNG REVPIVGRVA DATA SEQUENCE MDMICVDLGP QAQDKAGDPV ILWGEGLPVE RIXXXXKVSA YELITRLTSR DATA SEQUENCE VAMKYVD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.529 177.584 -0.091 0.000 1.274 3 A CA 0.000 51.992 52.037 -0.076 0.000 0.836 3 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 4 A N 1.832 124.595 122.820 -0.095 0.000 2.553 4 A HA 0.544 4.864 4.320 -0.000 0.000 0.258 4 A C 0.464 177.984 177.584 -0.106 0.000 1.069 4 A CA 1.348 53.319 52.037 -0.111 0.000 0.767 4 A CB -0.683 18.259 19.000 -0.096 0.000 0.997 4 A HN 1.344 nan 8.150 nan 0.000 0.512 5 T N 1.839 116.314 114.554 -0.131 0.000 2.956 5 T HA 0.455 4.804 4.350 -0.000 0.000 0.312 5 T C -0.908 173.693 174.700 -0.165 0.000 1.151 5 T CA -0.447 61.577 62.100 -0.128 0.000 1.024 5 T CB 1.676 70.479 68.868 -0.109 0.000 1.140 5 T HN 0.434 nan 8.240 nan 0.000 0.473 6 V N 3.036 122.852 119.914 -0.164 0.000 2.357 6 V HA 0.465 4.585 4.120 -0.000 0.000 0.284 6 V C -0.318 175.656 176.094 -0.200 0.000 1.018 6 V CA -0.596 61.592 62.300 -0.186 0.000 0.841 6 V CB 1.653 33.370 31.823 -0.177 0.000 0.991 6 V HN 0.741 nan 8.190 nan 0.000 0.437 7 V N 6.610 126.428 119.914 -0.161 0.000 2.370 7 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 7 V C -0.069 175.955 176.094 -0.116 0.000 1.029 7 V CA -0.508 61.701 62.300 -0.151 0.000 0.870 7 V CB 1.529 33.300 31.823 -0.087 0.000 0.984 7 V HN 0.555 nan 8.190 nan 0.000 0.451 8 I N 4.484 124.936 120.570 -0.196 0.000 2.330 8 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 8 I C 0.244 176.412 176.117 0.083 0.000 1.001 8 I CA -0.405 60.874 61.300 -0.035 0.000 1.193 8 I CB 1.326 39.257 38.000 -0.117 0.000 1.345 8 I HN 0.541 nan 8.210 nan 0.000 0.461 9 N N 6.678 125.455 118.700 0.128 0.000 2.415 9 N HA 0.166 4.906 4.740 -0.000 0.000 0.246 9 N C 1.070 176.670 175.510 0.149 0.000 1.078 9 N CA -0.087 53.035 53.050 0.120 0.000 0.942 9 N CB 0.833 39.377 38.487 0.094 0.000 1.140 9 N HN 0.448 nan 8.380 nan 0.000 0.501 10 R N 2.322 122.918 120.500 0.159 0.000 2.115 10 R HA -0.040 4.299 4.340 -0.000 0.000 0.230 10 R C 1.889 178.251 176.300 0.104 0.000 1.111 10 R CA 0.668 56.858 56.100 0.149 0.000 0.976 10 R CB 0.095 30.481 30.300 0.142 0.000 0.870 10 R HN 0.516 nan 8.270 nan 0.000 0.445 11 R N 1.229 121.782 120.500 0.089 0.000 2.081 11 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 11 R C 2.049 178.401 176.300 0.088 0.000 1.131 11 R CA 1.583 57.728 56.100 0.075 0.000 0.960 11 R CB -0.202 30.131 30.300 0.055 0.000 0.856 11 R HN 0.218 nan 8.270 nan 0.000 0.436 12 A N 1.108 123.976 122.820 0.080 0.000 1.969 12 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 12 A C 2.000 179.646 177.584 0.104 0.000 1.169 12 A CA 0.779 52.866 52.037 0.084 0.000 0.635 12 A CB -0.395 18.645 19.000 0.067 0.000 0.810 12 A HN 0.332 nan 8.150 nan 0.000 0.445 13 L N 0.034 121.305 121.223 0.080 0.000 2.027 13 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 13 L C 2.505 179.383 176.870 0.014 0.000 1.074 13 L CA 1.833 56.688 54.840 0.026 0.000 0.745 13 L CB -0.698 41.394 42.059 0.055 0.000 0.898 13 L HN 0.359 nan 8.230 nan 0.000 0.433 14 R N -1.826 118.702 120.500 0.048 0.000 2.092 14 R HA -0.205 4.135 4.340 -0.000 0.000 0.231 14 R C 2.246 178.563 176.300 0.028 0.000 1.119 14 R CA 1.372 57.490 56.100 0.031 0.000 0.970 14 R CB -0.698 29.628 30.300 0.044 0.000 0.864 14 R HN 0.523 nan 8.270 nan 0.000 0.440 15 H N 1.287 120.349 119.070 -0.013 0.000 2.353 15 H HA -0.053 4.502 4.556 -0.000 0.000 0.300 15 H C 1.638 176.949 175.328 -0.028 0.000 1.090 15 H CA 1.885 57.926 56.048 -0.013 0.000 1.327 15 H CB 0.033 29.794 29.762 -0.000 0.000 1.383 15 H HN 0.098 nan 8.280 nan 0.000 0.508 16 N N 0.422 119.125 118.700 0.005 0.000 2.188 16 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 16 N C 2.142 177.566 175.510 -0.144 0.000 1.018 16 N CA 0.940 53.948 53.050 -0.070 0.000 0.858 16 N CB -0.361 38.101 38.487 -0.040 0.000 0.989 16 N HN 0.401 nan 8.380 nan 0.000 0.426 17 L N 0.775 121.919 121.223 -0.132 0.000 2.056 17 L HA -0.204 4.135 4.340 -0.000 0.000 0.207 17 L C 2.352 179.137 176.870 -0.142 0.000 1.078 17 L CA 1.491 56.249 54.840 -0.137 0.000 0.749 17 L CB -0.154 41.839 42.059 -0.109 0.000 0.901 17 L HN 0.149 nan 8.230 nan 0.000 0.433 18 Q N -0.138 119.572 119.800 -0.150 0.000 2.079 18 Q HA -0.269 4.071 4.340 -0.000 0.000 0.200 18 Q C 2.172 178.058 176.000 -0.190 0.000 0.974 18 Q CA 1.612 57.320 55.803 -0.157 0.000 0.840 18 Q CB -0.081 28.572 28.738 -0.142 0.000 0.898 18 Q HN 0.201 nan 8.270 nan 0.000 0.430 19 R N -0.100 120.234 120.500 -0.277 0.000 2.096 19 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 19 R C 1.788 178.007 176.300 -0.136 0.000 1.127 19 R CA 1.428 57.383 56.100 -0.242 0.000 0.968 19 R CB -0.559 29.548 30.300 -0.322 0.000 0.861 19 R HN 0.413 nan 8.270 nan 0.000 0.440 20 L N -0.103 121.038 121.223 -0.137 0.000 2.217 20 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 20 L C 2.324 179.116 176.870 -0.130 0.000 1.107 20 L CA 1.130 55.896 54.840 -0.124 0.000 0.783 20 L CB -0.246 41.730 42.059 -0.137 0.000 0.919 20 L HN 0.168 nan 8.230 nan 0.000 0.442 21 R N -0.142 120.281 120.500 -0.128 0.000 2.148 21 R HA -0.117 4.222 4.340 -0.000 0.000 0.223 21 R C 1.940 178.183 176.300 -0.095 0.000 1.088 21 R CA 0.859 56.887 56.100 -0.120 0.000 0.985 21 R CB -0.148 30.084 30.300 -0.114 0.000 0.880 21 R HN 0.457 nan 8.270 nan 0.000 0.451 22 E N 0.792 120.941 120.200 -0.084 0.000 2.072 22 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 22 E C 1.954 178.535 176.600 -0.031 0.000 0.985 22 E CA 0.957 57.324 56.400 -0.055 0.000 0.801 22 E CB 0.061 29.728 29.700 -0.055 0.000 0.750 22 E HN 0.278 nan 8.360 nan 0.000 0.452 23 L N -0.211 120.991 121.223 -0.036 0.000 2.162 23 L HA 0.061 4.400 4.340 -0.000 0.000 0.205 23 L C 1.428 178.286 176.870 -0.020 0.000 1.086 23 L CA 0.424 55.263 54.840 -0.000 0.000 0.778 23 L CB 0.023 42.081 42.059 -0.002 0.000 0.928 23 L HN -0.025 nan 8.230 nan 0.000 0.446 24 A N 0.369 123.107 122.820 -0.137 0.000 3.232 24 A HA 0.327 4.647 4.320 -0.000 0.000 0.312 24 A C -1.473 176.045 177.584 -0.109 0.000 1.185 24 A CA -1.085 50.810 52.037 -0.235 0.000 1.011 24 A CB -0.388 18.338 19.000 -0.456 0.000 1.096 24 A HN 0.036 nan 8.150 nan 0.000 0.543 25 P HA -0.146 nan 4.420 nan 0.000 0.221 25 P C 0.857 178.132 177.300 -0.042 0.000 1.145 25 P CA 1.758 64.835 63.100 -0.038 0.000 0.795 25 P CB 0.305 31.997 31.700 -0.013 0.000 0.775 26 A N -1.201 121.608 122.820 -0.018 0.000 2.535 26 A HA 0.395 4.715 4.320 -0.000 0.000 0.273 26 A C 0.503 178.056 177.584 -0.051 0.000 1.267 26 A CA -0.065 51.959 52.037 -0.022 0.000 0.940 26 A CB 0.070 19.082 19.000 0.019 0.000 1.101 26 A HN 0.078 nan 8.150 nan 0.000 0.521 27 S N -0.019 115.618 115.700 -0.104 0.000 2.542 27 S HA 0.478 4.948 4.470 -0.000 0.000 0.293 27 S C -0.351 174.068 174.600 -0.303 0.000 1.089 27 S CA -0.710 57.391 58.200 -0.166 0.000 0.961 27 S CB 1.795 64.939 63.200 -0.095 0.000 1.062 27 S HN 0.428 nan 8.310 nan 0.000 0.483 28 K N 0.801 120.858 120.400 -0.572 0.000 2.102 28 K HA 0.446 4.766 4.320 -0.000 0.000 0.244 28 K C -0.660 175.687 176.600 -0.421 0.000 1.021 28 K CA -0.433 55.395 56.287 -0.766 0.000 0.913 28 K CB 0.370 31.879 32.500 -1.653 0.000 1.062 28 K HN 0.371 nan 8.250 nan 0.000 0.485 29 M N 1.588 121.025 119.600 -0.272 0.000 2.227 29 M HA 0.220 4.700 4.480 -0.000 0.000 0.335 29 M C -1.494 174.875 176.300 0.116 0.000 1.053 29 M CA -0.479 54.788 55.300 -0.056 0.000 0.973 29 M CB 1.801 34.325 32.600 -0.125 0.000 1.623 29 M HN 0.181 nan 8.290 nan 0.000 0.434 30 V N 4.641 124.658 119.914 0.170 0.000 2.259 30 V HA 0.549 4.669 4.120 -0.000 0.000 0.267 30 V C 0.142 176.232 176.094 -0.007 0.000 1.051 30 V CA -1.060 61.304 62.300 0.107 0.000 0.830 30 V CB 0.459 32.345 31.823 0.105 0.000 1.080 30 V HN 0.940 nan 8.190 nan 0.000 0.467 31 A N 5.125 127.886 122.820 -0.098 0.000 2.476 31 A HA 0.429 4.749 4.320 -0.000 0.000 0.275 31 A C 0.111 177.750 177.584 0.092 0.000 1.133 31 A CA -0.014 51.994 52.037 -0.048 0.000 0.797 31 A CB -0.002 18.956 19.000 -0.071 0.000 1.081 31 A HN 0.627 nan 8.150 nan 0.000 0.510 32 V N 4.706 124.652 119.914 0.055 0.000 2.405 32 V HA 0.206 4.325 4.120 -0.000 0.000 0.264 32 V C 0.915 177.139 176.094 0.217 0.000 1.048 32 V CA 0.437 62.815 62.300 0.129 0.000 0.966 32 V CB 0.902 32.801 31.823 0.127 0.000 1.015 32 V HN 0.969 nan 8.190 nan 0.000 0.477 33 V N 2.531 122.604 119.914 0.265 0.000 2.988 33 V HA 0.322 4.442 4.120 -0.000 0.000 0.356 33 V C 0.642 176.887 176.094 0.253 0.000 1.380 33 V CA -0.672 61.808 62.300 0.300 0.000 1.184 33 V CB -0.480 31.465 31.823 0.203 0.000 1.204 33 V HN 0.833 nan 8.190 nan 0.000 0.530 34 K N 0.937 121.501 120.400 0.273 0.000 2.180 34 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 34 K C 0.646 177.323 176.600 0.129 0.000 1.014 34 K CA 0.272 56.653 56.287 0.156 0.000 0.913 34 K CB 0.760 33.330 32.500 0.117 0.000 1.008 34 K HN 1.309 nan 8.250 nan 0.000 0.490 35 A N 1.677 124.524 122.820 0.044 0.000 2.667 35 A HA -0.229 4.091 4.320 -0.000 0.000 0.298 35 A C 0.347 177.955 177.584 0.040 0.000 1.483 35 A CA 0.989 53.028 52.037 0.003 0.000 0.738 35 A CB -2.464 16.481 19.000 -0.091 0.000 1.067 35 A HN 1.093 nan 8.150 nan 0.000 0.451 36 N N -2.207 116.531 118.700 0.063 0.000 2.740 36 N HA 0.049 4.788 4.740 -0.000 0.000 0.248 36 N C 0.517 176.109 175.510 0.137 0.000 1.062 36 N CA 2.428 55.526 53.050 0.081 0.000 0.704 36 N CB -1.542 36.981 38.487 0.059 0.000 0.968 36 N HN 2.417 nan 8.380 nan 0.000 0.547 37 A N -0.358 122.577 122.820 0.192 0.000 2.739 37 A HA -0.215 4.105 4.320 -0.000 0.000 0.296 37 A C 0.691 178.395 177.584 0.200 0.000 1.488 37 A CA 1.376 53.579 52.037 0.277 0.000 0.746 37 A CB -2.382 16.784 19.000 0.277 0.000 1.047 37 A HN 1.361 nan 8.150 nan 0.000 0.477 38 Y N -3.216 117.034 120.300 -0.084 0.000 3.929 38 Y HA -0.119 4.431 4.550 -0.000 0.000 0.225 38 Y C 1.983 177.851 175.900 -0.054 0.000 1.200 38 Y CA 1.961 59.979 58.100 -0.136 0.000 1.791 38 Y CB -1.690 36.487 38.460 -0.471 0.000 1.561 38 Y HN 2.414 nan 8.280 nan 0.000 0.657 39 G N -1.675 107.170 108.800 0.075 0.000 2.176 39 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.253 39 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.253 39 G C 0.470 175.307 174.900 -0.105 0.000 0.979 39 G CA 0.541 45.624 45.100 -0.027 0.000 0.641 39 G HN 0.634 nan 8.290 nan 0.000 0.530 40 H N 0.058 119.126 119.070 -0.002 0.000 2.592 40 H HA 0.476 5.032 4.556 -0.000 0.000 0.265 40 H C 1.505 176.945 175.328 0.186 0.000 0.955 40 H CA 1.176 57.270 56.048 0.077 0.000 1.175 40 H CB 0.830 30.660 29.762 0.113 0.000 1.433 40 H HN 1.475 nan 8.280 nan 0.000 0.537 41 G N 0.661 109.614 108.800 0.255 0.000 3.373 41 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.685 41 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.685 41 G C 0.346 175.350 174.900 0.174 0.000 1.166 41 G CA -0.093 45.147 45.100 0.235 0.000 1.063 41 G HN 0.255 nan 8.290 nan 0.000 0.481 42 L N 2.910 124.195 121.223 0.103 0.000 1.963 42 L HA -0.044 4.296 4.340 -0.000 0.000 0.220 42 L C 2.668 179.516 176.870 -0.036 0.000 1.076 42 L CA 3.203 58.068 54.840 0.041 0.000 0.772 42 L CB -0.551 41.516 42.059 0.013 0.000 0.892 42 L HN 0.835 nan 8.230 nan 0.000 0.435 43 L N -0.686 120.508 121.223 -0.048 0.000 2.056 43 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 43 L C 2.478 179.274 176.870 -0.124 0.000 1.078 43 L CA 1.614 56.392 54.840 -0.103 0.000 0.749 43 L CB -0.856 41.157 42.059 -0.076 0.000 0.901 43 L HN 0.325 nan 8.230 nan 0.000 0.433 44 E N -0.842 119.284 120.200 -0.123 0.000 2.110 44 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 44 E C 2.114 178.654 176.600 -0.099 0.000 0.988 44 E CA 1.630 57.879 56.400 -0.252 0.000 0.804 44 E CB -0.537 28.759 29.700 -0.673 0.000 0.745 44 E HN 0.484 nan 8.360 nan 0.000 0.458 45 T N 0.993 115.571 114.554 0.039 0.000 2.867 45 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 45 T C 1.864 176.590 174.700 0.044 0.000 1.057 45 T CA 1.222 63.393 62.100 0.119 0.000 1.136 45 T CB -0.070 68.939 68.868 0.234 0.000 0.874 45 T HN 0.259 nan 8.240 nan 0.000 0.466 46 A N 1.880 124.624 122.820 -0.127 0.000 1.897 46 A HA -0.027 4.292 4.320 -0.000 0.000 0.215 46 A C 2.322 179.869 177.584 -0.062 0.000 1.181 46 A CA 0.905 52.725 52.037 -0.362 0.000 0.620 46 A CB -0.366 18.124 19.000 -0.850 0.000 0.821 46 A HN 0.356 nan 8.150 nan 0.000 0.443 47 R N -0.606 119.847 120.500 -0.079 0.000 2.237 47 R HA -0.057 4.283 4.340 -0.000 0.000 0.219 47 R C 1.516 177.825 176.300 0.014 0.000 1.080 47 R CA 1.509 57.592 56.100 -0.029 0.000 0.995 47 R CB -0.494 29.761 30.300 -0.075 0.000 0.875 47 R HN 0.478 nan 8.270 nan 0.000 0.462 48 T N 0.640 115.212 114.554 0.030 0.000 3.067 48 T HA 0.130 4.479 4.350 -0.000 0.000 0.261 48 T C 0.929 175.677 174.700 0.080 0.000 1.110 48 T CA 0.634 62.765 62.100 0.052 0.000 1.113 48 T CB 0.224 69.134 68.868 0.070 0.000 0.917 48 T HN 0.092 nan 8.240 nan 0.000 0.499 49 L N 2.394 123.699 121.223 0.137 0.000 2.784 49 L HA 0.262 4.602 4.340 -0.000 0.000 0.241 49 L C -1.665 175.314 176.870 0.181 0.000 1.352 49 L CA -1.404 53.522 54.840 0.144 0.000 0.911 49 L CB 1.023 43.178 42.059 0.160 0.000 1.227 49 L HN -0.070 nan 8.230 nan 0.000 0.501 50 P HA -0.128 nan 4.420 nan 0.000 0.239 50 P C 0.642 177.972 177.300 0.050 0.000 1.184 50 P CA 0.891 64.062 63.100 0.117 0.000 0.760 50 P CB 0.420 32.166 31.700 0.077 0.000 0.884 51 D N -0.031 120.377 120.400 0.013 0.000 2.348 51 D HA 0.106 4.746 4.640 -0.000 0.000 0.211 51 D C 0.615 176.863 176.300 -0.087 0.000 0.998 51 D CA -0.066 53.916 54.000 -0.031 0.000 0.873 51 D CB -0.201 40.579 40.800 -0.033 0.000 0.925 51 D HN -0.010 nan 8.370 nan 0.000 0.524 52 A N 0.555 123.283 122.820 -0.153 0.000 2.511 52 A HA 0.034 4.354 4.320 -0.000 0.000 0.242 52 A C 1.106 178.536 177.584 -0.256 0.000 1.069 52 A CA -0.002 51.855 52.037 -0.301 0.000 0.763 52 A CB 0.267 18.866 19.000 -0.669 0.000 1.001 52 A HN 0.207 nan 8.150 nan 0.000 0.498 53 D N 0.894 121.205 120.400 -0.148 0.000 2.178 53 D HA 0.163 4.803 4.640 -0.000 0.000 0.202 53 D C 0.807 177.162 176.300 0.091 0.000 0.974 53 D CA 1.990 56.001 54.000 0.018 0.000 0.841 53 D CB 0.147 40.962 40.800 0.026 0.000 0.953 53 D HN 0.765 nan 8.370 nan 0.000 0.478 54 A N -0.655 122.119 122.820 -0.077 0.000 2.586 54 A HA 0.579 4.899 4.320 -0.000 0.000 0.290 54 A C -1.852 175.480 177.584 -0.420 0.000 1.086 54 A CA -0.718 51.230 52.037 -0.149 0.000 0.665 54 A CB 0.739 19.747 19.000 0.013 0.000 1.279 54 A HN -0.014 nan 8.150 nan 0.000 0.423 55 F N -0.045 119.893 119.950 -0.021 0.000 2.540 55 F HA 0.627 5.154 4.527 -0.000 0.000 0.317 55 F C 0.866 176.612 175.800 -0.090 0.000 1.104 55 F CA -0.216 57.762 58.000 -0.036 0.000 0.913 55 F CB 2.777 41.761 39.000 -0.028 0.000 1.170 55 F HN 0.814 nan 8.300 nan 0.000 0.450 56 G N 1.559 110.432 108.800 0.122 0.000 2.379 56 G HA2 0.642 4.601 3.960 -0.000 0.000 0.327 56 G HA3 0.642 4.601 3.960 -0.000 0.000 0.327 56 G C -1.334 173.585 174.900 0.031 0.000 1.145 56 G CA -0.763 44.339 45.100 0.004 0.000 0.905 56 G HN 0.696 nan 8.290 nan 0.000 0.466 57 V N -0.750 119.140 119.914 -0.041 0.000 3.078 57 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 57 V C 0.786 176.852 176.094 -0.047 0.000 1.138 57 V CA -0.244 62.035 62.300 -0.035 0.000 1.007 57 V CB 1.319 33.084 31.823 -0.096 0.000 1.045 57 V HN 1.006 nan 8.190 nan 0.000 0.432 58 A N 1.781 124.594 122.820 -0.012 0.000 1.903 58 A HA 0.355 4.674 4.320 -0.000 0.000 0.213 58 A C 1.139 178.729 177.584 0.010 0.000 1.185 58 A CA 0.673 52.719 52.037 0.015 0.000 0.628 58 A CB -0.075 18.951 19.000 0.044 0.000 0.830 58 A HN 0.857 nan 8.150 nan 0.000 0.446 59 R N -1.583 118.898 120.500 -0.032 0.000 2.744 59 R HA 0.533 4.873 4.340 -0.000 0.000 0.279 59 R C 0.105 176.302 176.300 -0.173 0.000 0.977 59 R CA -0.771 55.278 56.100 -0.085 0.000 0.906 59 R CB 1.326 31.674 30.300 0.079 0.000 1.197 59 R HN 0.155 nan 8.270 nan 0.000 0.463 60 L N 1.580 122.653 121.223 -0.250 0.000 2.064 60 L HA -0.312 4.027 4.340 -0.000 0.000 0.216 60 L C 1.662 178.445 176.870 -0.145 0.000 1.077 60 L CA 1.963 56.675 54.840 -0.213 0.000 0.766 60 L CB -0.110 41.860 42.059 -0.148 0.000 0.890 60 L HN 0.678 nan 8.230 nan 0.000 0.435 61 E N -0.528 119.626 120.200 -0.077 0.000 2.110 61 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 61 E C 2.039 178.612 176.600 -0.046 0.000 0.988 61 E CA 1.399 57.783 56.400 -0.027 0.000 0.804 61 E CB -0.114 29.590 29.700 0.008 0.000 0.745 61 E HN 0.548 nan 8.360 nan 0.000 0.458 62 E N 0.411 120.566 120.200 -0.075 0.000 2.107 62 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 62 E C 2.092 178.611 176.600 -0.134 0.000 0.982 62 E CA 0.847 57.200 56.400 -0.078 0.000 0.809 62 E CB -0.135 29.527 29.700 -0.064 0.000 0.756 62 E HN 0.284 nan 8.360 nan 0.000 0.459 63 A N 1.421 124.086 122.820 -0.257 0.000 1.873 63 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 63 A C 2.213 179.685 177.584 -0.187 0.000 1.186 63 A CA 0.946 52.711 52.037 -0.454 0.000 0.616 63 A CB -0.642 17.686 19.000 -1.119 0.000 0.823 63 A HN 0.116 nan 8.150 nan 0.000 0.442 64 L N -1.109 120.092 121.223 -0.037 0.000 2.083 64 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 64 L C 2.778 179.704 176.870 0.093 0.000 1.083 64 L CA 1.700 56.650 54.840 0.183 0.000 0.752 64 L CB -0.396 41.747 42.059 0.139 0.000 0.899 64 L HN 0.443 nan 8.230 nan 0.000 0.433 65 R N 0.261 120.775 120.500 0.023 0.000 2.115 65 R HA -0.131 4.208 4.340 -0.000 0.000 0.230 65 R C 2.249 178.547 176.300 -0.004 0.000 1.111 65 R CA 1.035 57.139 56.100 0.008 0.000 0.976 65 R CB -0.052 30.242 30.300 -0.009 0.000 0.870 65 R HN 0.325 nan 8.270 nan 0.000 0.445 66 L N -0.004 121.207 121.223 -0.020 0.000 2.044 66 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 66 L C 2.579 179.459 176.870 0.017 0.000 1.075 66 L CA 0.944 55.755 54.840 -0.047 0.000 0.747 66 L CB -0.367 41.633 42.059 -0.099 0.000 0.903 66 L HN 0.120 nan 8.230 nan 0.000 0.435 67 R N 0.255 120.817 120.500 0.103 0.000 2.096 67 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 67 R C 2.252 178.588 176.300 0.060 0.000 1.127 67 R CA 1.427 57.597 56.100 0.117 0.000 0.968 67 R CB -0.859 29.551 30.300 0.184 0.000 0.861 67 R HN 0.350 nan 8.270 nan 0.000 0.440 68 A N 0.385 123.235 122.820 0.051 0.000 1.972 68 A HA -0.054 4.265 4.320 -0.000 0.000 0.219 68 A C 2.213 179.804 177.584 0.012 0.000 1.169 68 A CA 1.713 53.767 52.037 0.029 0.000 0.635 68 A CB -0.720 18.296 19.000 0.027 0.000 0.810 68 A HN 0.418 nan 8.150 nan 0.000 0.446 69 G N -2.197 106.603 108.800 0.000 0.000 2.920 69 G HA2 0.361 4.321 3.960 -0.000 0.000 0.208 69 G HA3 0.361 4.321 3.960 -0.000 0.000 0.208 69 G C 1.086 175.977 174.900 -0.015 0.000 1.159 69 G CA 0.556 45.646 45.100 -0.016 0.000 0.784 69 G HN 1.653 nan 8.290 nan 0.000 0.535 70 G N -0.578 108.221 108.800 -0.000 0.000 2.159 70 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 70 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 70 G C 0.130 175.037 174.900 0.012 0.000 0.986 70 G CA -0.155 44.948 45.100 0.006 0.000 0.651 70 G HN 0.287 nan 8.290 nan 0.000 0.523 71 I N 2.046 122.619 120.570 0.005 0.000 2.471 71 I HA 0.363 4.532 4.170 -0.000 0.000 0.286 71 I C 1.700 177.864 176.117 0.078 0.000 1.079 71 I CA 1.059 62.371 61.300 0.020 0.000 1.398 71 I CB 1.422 39.382 38.000 -0.068 0.000 1.403 71 I HN 0.117 nan 8.210 nan 0.000 0.530 72 T N 3.623 118.235 114.554 0.097 0.000 3.040 72 T HA 0.108 4.458 4.350 -0.000 0.000 0.252 72 T C 1.073 175.846 174.700 0.122 0.000 1.064 72 T CA -0.185 61.969 62.100 0.091 0.000 1.110 72 T CB -0.000 68.900 68.868 0.054 0.000 0.921 72 T HN 0.231 nan 8.240 nan 0.000 0.480 73 K N 2.419 122.928 120.400 0.182 0.000 2.443 73 K HA 0.071 4.391 4.320 -0.000 0.000 0.268 73 K C -2.662 174.031 176.600 0.154 0.000 0.971 73 K CA -1.310 55.086 56.287 0.181 0.000 0.902 73 K CB -0.431 32.231 32.500 0.271 0.000 0.950 73 K HN 0.079 nan 8.250 nan 0.000 0.525 74 P HA 0.164 nan 4.420 nan 0.000 0.279 74 P C -1.103 176.168 177.300 -0.047 0.000 1.239 74 P CA -0.352 62.686 63.100 -0.103 0.000 0.789 74 P CB 0.938 32.457 31.700 -0.303 0.000 0.933 75 V N 4.398 124.296 119.914 -0.026 0.000 2.487 75 V HA 0.298 4.418 4.120 -0.000 0.000 0.298 75 V C -0.249 175.754 176.094 -0.153 0.000 1.028 75 V CA -0.716 61.567 62.300 -0.029 0.000 0.860 75 V CB 1.715 33.504 31.823 -0.056 0.000 0.991 75 V HN 0.348 nan 8.190 nan 0.000 0.427 76 L N 6.386 127.486 121.223 -0.206 0.000 2.257 76 L HA 0.504 4.844 4.340 -0.000 0.000 0.290 76 L C -0.307 176.415 176.870 -0.246 0.000 1.044 76 L CA 0.124 54.786 54.840 -0.296 0.000 0.810 76 L CB 0.843 42.603 42.059 -0.498 0.000 1.193 76 L HN 0.555 nan 8.230 nan 0.000 0.425 77 L N 7.062 128.164 121.223 -0.202 0.000 2.385 77 L HA 0.119 4.458 4.340 -0.000 0.000 0.285 77 L C 1.264 178.051 176.870 -0.137 0.000 1.125 77 L CA -0.158 54.582 54.840 -0.167 0.000 0.890 77 L CB 0.350 42.340 42.059 -0.114 0.000 1.251 77 L HN 0.792 nan 8.230 nan 0.000 0.445 78 L N 2.015 123.158 121.223 -0.133 0.000 2.187 78 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 78 L C 1.608 178.469 176.870 -0.015 0.000 1.100 78 L CA 1.483 56.258 54.840 -0.108 0.000 0.765 78 L CB -0.161 41.834 42.059 -0.106 0.000 0.904 78 L HN 0.668 nan 8.230 nan 0.000 0.437 79 E N -0.782 119.444 120.200 0.043 0.000 2.498 79 E HA 0.253 4.603 4.350 -0.000 0.000 0.203 79 E C 0.953 177.698 176.600 0.241 0.000 1.013 79 E CA 0.306 56.825 56.400 0.198 0.000 0.927 79 E CB 0.644 30.529 29.700 0.308 0.000 1.012 79 E HN 0.420 nan 8.360 nan 0.000 0.482 80 G N 1.952 110.783 108.800 0.052 0.000 2.642 80 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.231 80 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.231 80 G C -0.367 174.459 174.900 -0.123 0.000 1.338 80 G CA -0.257 44.831 45.100 -0.019 0.000 0.883 80 G HN 0.264 nan 8.290 nan 0.000 0.570 81 F N -1.872 117.974 119.950 -0.172 0.000 2.458 81 F HA 0.805 5.331 4.527 -0.000 0.000 0.330 81 F C 0.647 176.412 175.800 -0.058 0.000 1.082 81 F CA -1.461 56.379 58.000 -0.267 0.000 0.995 81 F CB 1.001 39.930 39.000 -0.118 0.000 1.170 81 F HN 0.198 nan 8.300 nan 0.000 0.478 82 F N -0.320 119.702 119.950 0.121 0.000 2.776 82 F HA 0.235 4.762 4.527 -0.000 0.000 0.300 82 F C 0.415 176.270 175.800 0.092 0.000 1.116 82 F CA -0.323 57.702 58.000 0.041 0.000 1.375 82 F CB -0.204 38.825 39.000 0.048 0.000 1.109 82 F HN 0.522 nan 8.300 nan 0.000 0.585 83 D N -0.643 119.966 120.400 0.348 0.000 2.964 83 D HA 0.427 5.067 4.640 -0.000 0.000 0.234 83 D C 0.719 177.223 176.300 0.340 0.000 1.223 83 D CA -0.063 54.102 54.000 0.274 0.000 0.889 83 D CB 2.536 43.447 40.800 0.185 0.000 1.609 83 D HN -0.009 nan 8.370 nan 0.000 0.523 84 A N 3.785 126.767 122.820 0.270 0.000 2.019 84 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 84 A C 1.731 179.352 177.584 0.061 0.000 1.164 84 A CA 1.043 53.211 52.037 0.219 0.000 0.644 84 A CB -0.167 18.929 19.000 0.160 0.000 0.805 84 A HN 0.619 nan 8.150 nan 0.000 0.449 85 R N -0.167 120.370 120.500 0.062 0.000 2.339 85 R HA -0.025 4.315 4.340 -0.000 0.000 0.199 85 R C 0.341 176.633 176.300 -0.014 0.000 1.018 85 R CA 0.836 56.945 56.100 0.016 0.000 1.036 85 R CB -0.098 30.220 30.300 0.030 0.000 0.899 85 R HN 0.440 nan 8.270 nan 0.000 0.473 86 D N 0.547 120.935 120.400 -0.021 0.000 2.333 86 D HA -0.004 4.636 4.640 -0.000 0.000 0.208 86 D C 1.835 178.027 176.300 -0.180 0.000 0.984 86 D CA 0.370 54.335 54.000 -0.059 0.000 0.873 86 D CB 0.150 40.952 40.800 0.004 0.000 0.935 86 D HN 0.159 nan 8.370 nan 0.000 0.521 87 L N 0.988 122.026 121.223 -0.309 0.000 2.081 87 L HA -0.169 4.170 4.340 -0.000 0.000 0.212 87 L C -0.467 176.266 176.870 -0.229 0.000 1.080 87 L CA 1.534 56.144 54.840 -0.384 0.000 0.754 87 L CB -1.415 40.413 42.059 -0.385 0.000 0.893 87 L HN 0.050 nan 8.230 nan 0.000 0.433 88 P HA -0.168 nan 4.420 nan 0.000 0.216 88 P C 1.769 178.983 177.300 -0.143 0.000 1.153 88 P CA 1.608 64.628 63.100 -0.132 0.000 0.848 88 P CB -0.015 31.629 31.700 -0.094 0.000 0.787 89 T N -1.665 112.817 114.554 -0.121 0.000 2.857 89 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 89 T C 1.730 176.314 174.700 -0.194 0.000 1.048 89 T CA 0.858 62.883 62.100 -0.125 0.000 1.139 89 T CB -0.841 67.998 68.868 -0.049 0.000 0.874 89 T HN -0.103 nan 8.240 nan 0.000 0.455 90 I N 1.041 121.531 120.570 -0.132 0.000 2.315 90 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 90 I C 2.852 178.840 176.117 -0.216 0.000 1.117 90 I CA 1.287 62.537 61.300 -0.084 0.000 1.404 90 I CB -0.452 37.528 38.000 -0.034 0.000 1.071 90 I HN 0.326 nan 8.210 nan 0.000 0.419 91 S N 0.735 116.297 115.700 -0.231 0.000 2.355 91 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 91 S C 2.232 176.574 174.600 -0.429 0.000 1.031 91 S CA 1.317 59.361 58.200 -0.260 0.000 0.993 91 S CB -0.168 62.910 63.200 -0.204 0.000 0.859 91 S HN 0.437 nan 8.310 nan 0.000 0.453 92 A N 0.955 123.550 122.820 -0.376 0.000 1.930 92 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 92 A C 2.152 179.440 177.584 -0.493 0.000 1.175 92 A CA 1.228 53.029 52.037 -0.393 0.000 0.627 92 A CB -0.533 18.331 19.000 -0.226 0.000 0.815 92 A HN 0.599 nan 8.150 nan 0.000 0.443 93 Q N -1.014 118.453 119.800 -0.555 0.000 2.444 93 Q HA -0.011 4.329 4.340 -0.000 0.000 0.206 93 Q C -0.625 175.047 176.000 -0.547 0.000 0.948 93 Q CA 0.555 55.943 55.803 -0.693 0.000 0.946 93 Q CB -0.214 27.647 28.738 -1.461 0.000 1.027 93 Q HN 0.878 nan 8.270 nan 0.000 0.513 94 H N -1.330 117.538 119.070 -0.335 0.000 2.756 94 H HA -0.159 4.396 4.556 -0.000 0.000 0.315 94 H C -0.935 174.449 175.328 0.094 0.000 1.210 94 H CA 0.374 56.381 56.048 -0.068 0.000 1.150 94 H CB -2.554 27.203 29.762 -0.008 0.000 1.463 94 H HN 0.204 nan 8.280 nan 0.000 0.427 95 F N 0.334 120.361 119.950 0.128 0.000 2.394 95 F HA 0.305 4.832 4.527 -0.000 0.000 0.340 95 F C 1.386 177.332 175.800 0.244 0.000 1.105 95 F CA -0.813 57.247 58.000 0.101 0.000 1.124 95 F CB 0.897 39.909 39.000 0.020 0.000 1.145 95 F HN 0.263 nan 8.300 nan 0.000 0.505 96 H N 0.820 120.027 119.070 0.227 0.000 2.487 96 H HA 0.320 4.875 4.556 -0.000 0.000 0.333 96 H C -0.252 175.109 175.328 0.056 0.000 1.114 96 H CA -0.688 55.465 56.048 0.174 0.000 1.310 96 H CB 2.156 32.039 29.762 0.202 0.000 1.462 96 H HN 0.450 nan 8.280 nan 0.000 0.516 97 T N 0.829 115.526 114.554 0.239 0.000 2.906 97 T HA 0.579 4.928 4.350 -0.000 0.000 0.295 97 T C -0.817 173.986 174.700 0.172 0.000 1.075 97 T CA -0.594 61.599 62.100 0.156 0.000 1.005 97 T CB 1.182 70.207 68.868 0.261 0.000 1.136 97 T HN 0.716 nan 8.240 nan 0.000 0.498 98 A N 1.988 124.865 122.820 0.096 0.000 2.279 98 A HA 0.769 5.089 4.320 -0.000 0.000 0.303 98 A C -0.841 176.820 177.584 0.129 0.000 1.108 98 A CA -0.465 51.651 52.037 0.132 0.000 0.830 98 A CB 0.742 19.794 19.000 0.085 0.000 1.106 98 A HN 0.740 nan 8.150 nan 0.000 0.493 99 V N 2.127 122.130 119.914 0.149 0.000 2.488 99 V HA 0.336 4.456 4.120 -0.000 0.000 0.293 99 V C -0.159 175.994 176.094 0.098 0.000 1.027 99 V CA -0.160 62.197 62.300 0.095 0.000 0.862 99 V CB 1.098 33.075 31.823 0.258 0.000 1.008 99 V HN 1.166 nan 8.190 nan 0.000 0.428 100 H N 1.950 121.040 119.070 0.034 0.000 3.241 100 H HA 0.389 4.945 4.556 -0.000 0.000 0.260 100 H C 0.307 175.564 175.328 -0.118 0.000 1.084 100 H CA -0.010 55.972 56.048 -0.111 0.000 1.203 100 H CB 0.310 30.022 29.762 -0.083 0.000 1.524 100 H HN 0.606 nan 8.280 nan 0.000 0.521 101 N N -0.577 118.150 118.700 0.045 0.000 2.629 101 N HA 0.109 4.849 4.740 -0.000 0.000 0.279 101 N C 0.816 176.509 175.510 0.305 0.000 1.344 101 N CA -0.571 52.589 53.050 0.184 0.000 0.789 101 N CB 1.494 40.064 38.487 0.138 0.000 1.508 101 N HN -0.001 nan 8.380 nan 0.000 0.516 102 E N -0.052 120.296 120.200 0.246 0.000 2.033 102 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 102 E C 0.818 177.452 176.600 0.057 0.000 1.011 102 E CA 1.914 58.414 56.400 0.166 0.000 0.815 102 E CB -0.101 29.663 29.700 0.106 0.000 0.755 102 E HN 0.636 nan 8.360 nan 0.000 0.451 103 E N -0.076 120.146 120.200 0.036 0.000 2.299 103 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 103 E C 2.143 178.753 176.600 0.016 0.000 0.998 103 E CA 0.370 56.785 56.400 0.025 0.000 0.851 103 E CB -0.059 29.660 29.700 0.031 0.000 0.795 103 E HN 0.481 nan 8.360 nan 0.000 0.492 104 Q N 0.429 120.167 119.800 -0.103 0.000 2.096 104 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 104 Q C 2.223 178.280 176.000 0.096 0.000 0.982 104 Q CA 1.093 56.773 55.803 -0.205 0.000 0.850 104 Q CB -0.093 28.301 28.738 -0.574 0.000 0.901 104 Q HN 0.139 nan 8.270 nan 0.000 0.422 105 L N 0.194 121.423 121.223 0.010 0.000 2.044 105 L HA -0.009 4.330 4.340 -0.000 0.000 0.205 105 L C 2.107 178.939 176.870 -0.064 0.000 1.075 105 L CA 2.018 56.797 54.840 -0.102 0.000 0.747 105 L CB -0.821 40.967 42.059 -0.451 0.000 0.903 105 L HN 0.086 nan 8.230 nan 0.000 0.435 106 A N -0.361 122.437 122.820 -0.036 0.000 1.972 106 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 106 A C 2.428 180.026 177.584 0.024 0.000 1.169 106 A CA 1.710 53.737 52.037 -0.016 0.000 0.635 106 A CB -1.099 17.901 19.000 -0.000 0.000 0.810 106 A HN 0.584 nan 8.150 nan 0.000 0.446 107 A N -0.281 122.590 122.820 0.084 0.000 1.898 107 A HA 0.004 4.323 4.320 -0.000 0.000 0.216 107 A C 2.088 179.713 177.584 0.069 0.000 1.181 107 A CA 1.433 53.541 52.037 0.118 0.000 0.620 107 A CB -0.542 18.619 19.000 0.268 0.000 0.819 107 A HN 0.463 nan 8.150 nan 0.000 0.442 108 L N -0.638 120.638 121.223 0.089 0.000 2.291 108 L HA -0.132 4.208 4.340 -0.000 0.000 0.214 108 L C 2.355 179.210 176.870 -0.025 0.000 1.120 108 L CA 1.113 55.965 54.840 0.019 0.000 0.799 108 L CB -0.411 41.678 42.059 0.050 0.000 0.925 108 L HN 0.455 nan 8.230 nan 0.000 0.446 109 E N 0.246 120.427 120.200 -0.030 0.000 2.152 109 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 109 E C 1.367 177.946 176.600 -0.035 0.000 0.983 109 E CA 1.156 57.528 56.400 -0.046 0.000 0.818 109 E CB 0.139 29.804 29.700 -0.059 0.000 0.758 109 E HN 0.606 nan 8.360 nan 0.000 0.467 110 E N 0.327 120.513 120.200 -0.022 0.000 2.583 110 E HA 0.318 4.668 4.350 -0.000 0.000 0.213 110 E C 0.307 176.893 176.600 -0.023 0.000 0.989 110 E CA -0.241 56.147 56.400 -0.020 0.000 0.991 110 E CB 0.640 30.334 29.700 -0.011 0.000 1.040 110 E HN 0.010 nan 8.360 nan 0.000 0.481 111 A N 1.827 124.629 122.820 -0.030 0.000 2.327 111 A HA 0.415 4.735 4.320 -0.000 0.000 0.255 111 A C 0.311 177.867 177.584 -0.046 0.000 1.099 111 A CA -0.069 51.943 52.037 -0.042 0.000 0.801 111 A CB 0.499 19.460 19.000 -0.065 0.000 1.062 111 A HN 0.284 nan 8.150 nan 0.000 0.496 112 S N 0.215 115.885 115.700 -0.050 0.000 2.774 112 S HA 0.657 5.127 4.470 -0.000 0.000 0.297 112 S C -0.826 173.739 174.600 -0.059 0.000 1.143 112 S CA -0.550 57.621 58.200 -0.048 0.000 1.090 112 S CB 0.143 63.320 63.200 -0.038 0.000 1.019 112 S HN 0.559 nan 8.310 nan 0.000 0.482 113 L N 2.120 123.304 121.223 -0.066 0.000 2.354 113 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 113 L C 0.229 177.058 176.870 -0.069 0.000 1.005 113 L CA -1.050 53.742 54.840 -0.079 0.000 0.819 113 L CB 1.523 43.522 42.059 -0.099 0.000 1.311 113 L HN 0.446 nan 8.230 nan 0.000 0.423 114 D N 0.510 120.866 120.400 -0.073 0.000 2.264 114 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 114 D C -0.003 176.262 176.300 -0.059 0.000 0.966 114 D CA 1.278 55.242 54.000 -0.060 0.000 0.864 114 D CB 0.437 41.201 40.800 -0.059 0.000 0.933 114 D HN 0.541 nan 8.370 nan 0.000 0.499 115 E N -0.122 120.030 120.200 -0.079 0.000 2.356 115 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 115 E C -2.527 174.025 176.600 -0.079 0.000 0.904 115 E CA -1.875 54.483 56.400 -0.070 0.000 0.757 115 E CB 3.115 32.766 29.700 -0.083 0.000 1.232 115 E HN -0.098 nan 8.360 nan 0.000 0.442 116 P HA 0.096 nan 4.420 nan 0.000 0.274 116 P C -0.579 176.682 177.300 -0.064 0.000 1.246 116 P CA -0.419 62.642 63.100 -0.064 0.000 0.795 116 P CB 0.816 32.483 31.700 -0.055 0.000 1.006 117 V N -2.842 117.035 119.914 -0.062 0.000 2.628 117 V HA 0.502 4.621 4.120 -0.000 0.000 0.306 117 V C -0.002 176.066 176.094 -0.042 0.000 1.045 117 V CA -0.600 61.676 62.300 -0.041 0.000 0.905 117 V CB 1.196 32.997 31.823 -0.036 0.000 0.997 117 V HN 0.426 nan 8.190 nan 0.000 0.436 118 T N 3.902 118.408 114.554 -0.079 0.000 2.814 118 T HA 0.525 4.875 4.350 -0.000 0.000 0.297 118 T C -0.148 174.588 174.700 0.059 0.000 0.956 118 T CA 0.150 62.146 62.100 -0.173 0.000 1.123 118 T CB 0.884 69.374 68.868 -0.629 0.000 0.902 118 T HN 0.702 nan 8.240 nan 0.000 0.528 119 V N 3.969 123.921 119.914 0.064 0.000 2.864 119 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 119 V C -1.329 174.955 176.094 0.316 0.000 1.073 119 V CA -0.927 61.541 62.300 0.281 0.000 0.956 119 V CB 2.101 34.010 31.823 0.144 0.000 1.023 119 V HN 0.883 nan 8.190 nan 0.000 0.435 120 W N 3.831 125.153 121.300 0.036 0.000 2.463 120 W HA 0.645 5.304 4.660 -0.000 0.000 0.316 120 W C 0.065 176.646 176.519 0.103 0.000 1.004 120 W CA -1.282 56.096 57.345 0.056 0.000 1.309 120 W CB 1.106 30.580 29.460 0.023 0.000 1.288 120 W HN 0.479 nan 8.180 nan 0.000 0.423 124 D N 2.161 122.483 120.400 -0.130 0.000 2.365 124 D HA 0.414 5.054 4.640 -0.000 0.000 0.237 124 D C 0.784 177.011 176.300 -0.120 0.000 1.190 124 D CA 0.655 54.585 54.000 -0.118 0.000 0.867 124 D CB 1.169 41.913 40.800 -0.093 0.000 1.050 124 D HN 0.654 nan 8.370 nan 0.000 0.491 125 T N 0.381 114.870 114.554 -0.109 0.000 3.092 125 T HA 0.457 4.806 4.350 -0.000 0.000 0.258 125 T C 1.182 175.804 174.700 -0.131 0.000 1.031 125 T CA 0.141 62.202 62.100 -0.066 0.000 0.925 125 T CB 0.582 69.473 68.868 0.038 0.000 1.036 125 T HN 0.452 nan 8.240 nan 0.000 0.544 126 G N 1.141 109.748 108.800 -0.322 0.000 3.465 126 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 126 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 126 G C 0.709 175.281 174.900 -0.548 0.000 0.984 126 G CA 0.215 45.053 45.100 -0.436 0.000 0.864 126 G HN 0.320 nan 8.290 nan 0.000 0.485 127 M N 0.862 120.255 119.600 -0.345 0.000 2.229 127 M HA 0.168 4.648 4.480 -0.000 0.000 0.264 127 M C 1.150 177.359 176.300 -0.151 0.000 1.063 127 M CA 1.858 57.042 55.300 -0.192 0.000 1.114 127 M CB -0.453 32.090 32.600 -0.095 0.000 1.387 127 M HN 0.352 nan 8.290 nan 0.000 0.420 128 H N -0.401 118.649 119.070 -0.033 0.000 2.770 128 H HA -0.211 4.345 4.556 -0.000 0.000 0.309 128 H C 0.944 176.240 175.328 -0.054 0.000 1.206 128 H CA 1.291 57.312 56.048 -0.044 0.000 1.147 128 H CB -1.604 28.136 29.762 -0.037 0.000 1.422 128 H HN 0.606 nan 8.280 nan 0.000 0.420 129 R N -0.368 120.127 120.500 -0.007 0.000 2.055 129 R HA 0.378 4.718 4.340 -0.000 0.000 0.190 129 R C 0.185 176.423 176.300 -0.103 0.000 1.443 129 R CA 0.008 56.084 56.100 -0.041 0.000 1.188 129 R CB 0.882 31.159 30.300 -0.038 0.000 1.068 129 R HN 0.132 nan 8.270 nan 0.000 0.475 130 L N 0.808 121.947 121.223 -0.140 0.000 2.346 130 L HA 0.614 4.953 4.340 -0.000 0.000 0.276 130 L C -1.094 175.673 176.870 -0.172 0.000 1.006 130 L CA -0.656 54.027 54.840 -0.262 0.000 0.817 130 L CB 2.281 44.134 42.059 -0.344 0.000 1.272 130 L HN 0.664 nan 8.230 nan 0.000 0.421 131 G N 2.563 111.268 108.800 -0.157 0.000 1.882 131 G HA2 0.182 4.142 3.960 -0.000 0.000 0.256 131 G HA3 0.182 4.142 3.960 -0.000 0.000 0.256 131 G C -1.258 173.560 174.900 -0.136 0.000 2.065 131 G CA -0.612 44.419 45.100 -0.115 0.000 0.882 131 G HN 0.259 nan 8.290 nan 0.000 0.574 132 V N 3.667 123.439 119.914 -0.238 0.000 2.400 132 V HA 0.112 4.231 4.120 -0.000 0.000 0.263 132 V C 1.370 177.318 176.094 -0.243 0.000 1.026 132 V CA 0.019 62.119 62.300 -0.334 0.000 1.077 132 V CB -0.368 31.049 31.823 -0.677 0.000 1.054 132 V HN 0.655 nan 8.190 nan 0.000 0.477 133 R N 5.781 126.195 120.500 -0.144 0.000 2.679 133 R HA 0.075 4.415 4.340 -0.000 0.000 0.268 133 R C -1.355 174.874 176.300 -0.118 0.000 1.044 133 R CA -1.130 54.918 56.100 -0.087 0.000 1.105 133 R CB 0.040 30.326 30.300 -0.024 0.000 0.989 133 R HN 0.393 nan 8.270 nan 0.000 0.447 134 P HA -0.286 nan 4.420 nan 0.000 0.217 134 P C 0.638 177.907 177.300 -0.051 0.000 1.162 134 P CA 1.444 64.481 63.100 -0.106 0.000 0.901 134 P CB 0.133 31.809 31.700 -0.041 0.000 0.793 135 E N -0.704 119.488 120.200 -0.014 0.000 2.147 135 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 135 E C 1.810 178.426 176.600 0.028 0.000 1.005 135 E CA 1.516 57.923 56.400 0.012 0.000 0.810 135 E CB -0.488 29.220 29.700 0.013 0.000 0.736 135 E HN 0.409 nan 8.360 nan 0.000 0.460 136 Q N -0.921 118.887 119.800 0.013 0.000 2.352 136 Q HA 0.244 4.584 4.340 -0.000 0.000 0.212 136 Q C 1.697 177.749 176.000 0.086 0.000 0.888 136 Q CA 0.668 56.504 55.803 0.055 0.000 0.934 136 Q CB 0.403 29.167 28.738 0.042 0.000 1.093 136 Q HN 0.253 nan 8.270 nan 0.000 0.523 137 A N 0.508 123.322 122.820 -0.010 0.000 1.933 137 A HA -0.209 4.110 4.320 -0.000 0.000 0.218 137 A C 1.969 179.729 177.584 0.294 0.000 1.175 137 A CA 1.715 53.723 52.037 -0.048 0.000 0.628 137 A CB -0.226 18.455 19.000 -0.531 0.000 0.814 137 A HN 0.266 nan 8.150 nan 0.000 0.444 138 E N 0.063 120.455 120.200 0.320 0.000 2.072 138 E HA 0.008 4.357 4.350 -0.000 0.000 0.191 138 E C 2.048 178.871 176.600 0.373 0.000 0.985 138 E CA 1.381 58.018 56.400 0.395 0.000 0.801 138 E CB -0.385 29.457 29.700 0.236 0.000 0.750 138 E HN 0.474 nan 8.360 nan 0.000 0.452 139 A N -0.287 122.704 122.820 0.284 0.000 1.897 139 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 139 A C 2.145 179.905 177.584 0.293 0.000 1.181 139 A CA 1.182 53.367 52.037 0.247 0.000 0.620 139 A CB -0.873 18.229 19.000 0.168 0.000 0.821 139 A HN 0.415 nan 8.150 nan 0.000 0.443 140 F N -0.852 119.200 119.950 0.170 0.000 2.102 140 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 140 F C 2.160 178.061 175.800 0.168 0.000 1.105 140 F CA 1.947 60.029 58.000 0.137 0.000 1.239 140 F CB -0.580 38.483 39.000 0.105 0.000 0.991 140 F HN 0.396 nan 8.300 nan 0.000 0.474 141 Y N -0.115 120.461 120.300 0.460 0.000 2.128 141 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 141 Y C 2.752 178.754 175.900 0.169 0.000 1.154 141 Y CA 2.431 60.748 58.100 0.361 0.000 1.149 141 Y CB -1.089 37.644 38.460 0.455 0.000 0.976 141 Y HN 0.269 nan 8.280 nan 0.000 0.505 142 H N 0.162 119.380 119.070 0.247 0.000 2.422 142 H HA -0.092 4.463 4.556 -0.000 0.000 0.298 142 H C 2.200 177.491 175.328 -0.060 0.000 1.098 142 H CA 1.923 58.022 56.048 0.085 0.000 1.315 142 H CB -0.046 29.795 29.762 0.131 0.000 1.382 142 H HN 0.273 nan 8.280 nan 0.000 0.523 143 R N -0.368 120.074 120.500 -0.097 0.000 2.115 143 R HA -0.055 4.284 4.340 -0.000 0.000 0.230 143 R C 2.256 178.393 176.300 -0.272 0.000 1.111 143 R CA 1.182 57.170 56.100 -0.186 0.000 0.976 143 R CB -0.093 30.099 30.300 -0.180 0.000 0.870 143 R HN 0.375 nan 8.270 nan 0.000 0.445 144 L N 0.283 121.323 121.223 -0.306 0.000 2.156 144 L HA -0.099 4.240 4.340 -0.000 0.000 0.208 144 L C 2.228 178.904 176.870 -0.323 0.000 1.095 144 L CA 1.390 56.057 54.840 -0.287 0.000 0.770 144 L CB -0.485 41.424 42.059 -0.249 0.000 0.914 144 L HN 0.293 nan 8.230 nan 0.000 0.439 145 T N -4.083 110.207 114.554 -0.440 0.000 3.118 145 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 145 T C 1.551 176.072 174.700 -0.298 0.000 1.139 145 T CA 0.404 62.281 62.100 -0.373 0.000 1.085 145 T CB 0.015 68.651 68.868 -0.386 0.000 0.934 145 T HN 0.188 nan 8.240 nan 0.000 0.518 146 Q N -0.133 119.480 119.800 -0.312 0.000 2.282 146 Q HA 0.297 4.636 4.340 -0.000 0.000 0.206 146 Q C 0.385 176.295 176.000 -0.150 0.000 0.878 146 Q CA -0.172 55.499 55.803 -0.220 0.000 0.944 146 Q CB -0.155 28.451 28.738 -0.221 0.000 1.100 146 Q HN 0.520 nan 8.270 nan 0.000 0.509 147 C N 2.088 121.295 119.300 -0.154 0.000 2.527 147 C HA 0.214 4.673 4.460 -0.000 0.000 0.396 147 C C 1.704 176.636 174.990 -0.096 0.000 1.289 147 C CA -0.485 58.464 59.018 -0.115 0.000 2.047 147 C CB 0.585 28.257 27.740 -0.113 0.000 2.568 147 C HN 0.266 nan 8.230 nan 0.000 0.573 148 K N 2.094 122.448 120.400 -0.076 0.000 2.305 148 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 148 K C 1.154 177.715 176.600 -0.065 0.000 1.047 148 K CA 0.829 57.077 56.287 -0.065 0.000 0.976 148 K CB -0.069 32.399 32.500 -0.054 0.000 0.765 148 K HN 0.603 nan 8.250 nan 0.000 0.474 149 N N 0.707 119.366 118.700 -0.068 0.000 2.412 149 N HA -0.019 4.721 4.740 -0.000 0.000 0.184 149 N C -0.116 175.353 175.510 -0.069 0.000 1.101 149 N CA 0.194 53.203 53.050 -0.068 0.000 0.881 149 N CB 0.629 39.074 38.487 -0.070 0.000 0.969 149 N HN -0.126 nan 8.380 nan 0.000 0.459 150 V N 1.539 121.408 119.914 -0.074 0.000 2.398 150 V HA 0.237 4.356 4.120 -0.000 0.000 0.286 150 V C 0.585 176.628 176.094 -0.085 0.000 1.026 150 V CA -0.926 61.329 62.300 -0.075 0.000 0.868 150 V CB 2.083 33.853 31.823 -0.088 0.000 0.982 150 V HN 0.015 nan 8.190 nan 0.000 0.443 151 R N 4.439 124.889 120.500 -0.084 0.000 2.288 151 R HA 0.192 4.532 4.340 -0.000 0.000 0.330 151 R C -0.061 176.175 176.300 -0.108 0.000 1.069 151 R CA -0.498 55.551 56.100 -0.086 0.000 0.941 151 R CB 0.386 30.637 30.300 -0.082 0.000 0.998 151 R HN 0.649 nan 8.270 nan 0.000 0.452 152 Q N 4.436 124.177 119.800 -0.098 0.000 2.373 152 Q HA 0.208 4.547 4.340 -0.000 0.000 0.255 152 Q C -1.770 174.171 176.000 -0.098 0.000 0.980 152 Q CA -1.299 54.441 55.803 -0.105 0.000 0.882 152 Q CB 0.548 29.232 28.738 -0.090 0.000 1.249 152 Q HN 0.608 nan 8.270 nan 0.000 0.438 153 P HA 0.241 nan 4.420 nan 0.000 0.278 153 P C -0.655 176.557 177.300 -0.147 0.000 1.258 153 P CA -0.556 62.481 63.100 -0.105 0.000 0.811 153 P CB 0.805 32.464 31.700 -0.069 0.000 1.063 154 V N 2.879 122.711 119.914 -0.137 0.000 2.508 154 V HA 0.073 4.193 4.120 -0.000 0.000 0.281 154 V C 0.877 176.928 176.094 -0.071 0.000 1.041 154 V CA -0.249 61.968 62.300 -0.139 0.000 1.016 154 V CB -0.364 31.303 31.823 -0.260 0.000 0.984 154 V HN 0.526 nan 8.190 nan 0.000 0.478 155 N N 4.618 123.195 118.700 -0.204 0.000 2.493 155 N HA 0.575 5.315 4.740 -0.000 0.000 0.275 155 N C -0.604 174.921 175.510 0.025 0.000 1.186 155 N CA -0.374 52.517 53.050 -0.264 0.000 0.978 155 N CB 2.079 40.032 38.487 -0.890 0.000 1.184 155 N HN 0.476 nan 8.380 nan 0.000 0.487 156 I N 0.688 121.317 120.570 0.098 0.000 2.436 156 I HA 0.336 4.505 4.170 -0.000 0.000 0.289 156 I C -0.332 176.015 176.117 0.382 0.000 1.010 156 I CA -0.838 60.608 61.300 0.242 0.000 1.098 156 I CB 2.061 40.134 38.000 0.120 0.000 1.266 156 I HN 0.021 nan 8.210 nan 0.000 0.434 157 V N 5.009 125.166 119.914 0.406 0.000 2.914 157 V HA 0.816 4.936 4.120 -0.000 0.000 0.314 157 V C -0.697 175.562 176.094 0.274 0.000 1.084 157 V CA 0.016 62.536 62.300 0.366 0.000 0.963 157 V CB 2.393 34.393 31.823 0.296 0.000 1.025 157 V HN 0.839 nan 8.190 nan 0.000 0.432 158 S N 2.636 118.397 115.700 0.102 0.000 2.615 158 S HA 0.682 5.151 4.470 -0.000 0.000 0.269 158 S C -2.059 172.461 174.600 -0.132 0.000 1.161 158 S CA -0.458 57.731 58.200 -0.019 0.000 0.817 158 S CB 1.655 64.844 63.200 -0.017 0.000 1.131 158 S HN 1.099 nan 8.310 nan 0.000 0.467 159 H N 0.248 119.150 119.070 -0.281 0.000 2.894 159 H HA 0.582 5.138 4.556 -0.000 0.000 0.367 159 H C -1.475 173.699 175.328 -0.257 0.000 1.144 159 H CA -0.588 55.283 56.048 -0.295 0.000 1.180 159 H CB 0.820 30.503 29.762 -0.131 0.000 1.758 159 H HN 0.505 nan 8.280 nan 0.000 0.541 160 F N 2.239 121.915 119.950 -0.457 0.000 2.399 160 F HA 0.372 4.898 4.527 -0.000 0.000 0.342 160 F C 1.277 176.823 175.800 -0.422 0.000 1.106 160 F CA 0.109 57.868 58.000 -0.401 0.000 1.196 160 F CB 1.385 40.168 39.000 -0.361 0.000 1.163 160 F HN 0.729 nan 8.300 nan 0.000 0.547 161 A N 2.917 125.713 122.820 -0.040 0.000 2.115 161 A HA 0.222 4.542 4.320 -0.000 0.000 0.211 161 A C 1.019 178.564 177.584 -0.065 0.000 1.169 161 A CA 0.168 52.159 52.037 -0.078 0.000 0.787 161 A CB 0.142 19.105 19.000 -0.061 0.000 0.858 161 A HN 0.809 nan 8.150 nan 0.000 0.474 162 R N -1.157 119.300 120.500 -0.071 0.000 2.579 162 R HA 0.329 4.668 4.340 -0.000 0.000 0.386 162 R C 0.781 177.044 176.300 -0.061 0.000 1.065 162 R CA 0.468 56.536 56.100 -0.054 0.000 1.143 162 R CB 0.412 30.686 30.300 -0.044 0.000 1.357 162 R HN 0.257 nan 8.270 nan 0.000 0.644 163 A N 1.281 124.055 122.820 -0.076 0.000 2.121 163 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 163 A C 1.473 179.210 177.584 0.255 0.000 1.154 163 A CA 1.432 53.466 52.037 -0.004 0.000 0.679 163 A CB -0.109 18.866 19.000 -0.040 0.000 0.795 163 A HN 0.438 nan 8.150 nan 0.000 0.458 164 D N -0.154 120.325 120.400 0.132 0.000 2.328 164 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 164 D C -0.020 176.336 176.300 0.093 0.000 1.066 164 D CA 0.264 54.334 54.000 0.117 0.000 0.861 164 D CB -0.249 40.608 40.800 0.096 0.000 0.912 164 D HN 0.539 nan 8.370 nan 0.000 0.521 165 E N 1.373 121.636 120.200 0.105 0.000 3.303 165 E HA 0.134 4.484 4.350 -0.000 0.000 0.215 165 E C -1.807 174.870 176.600 0.128 0.000 1.181 165 E CA -1.605 54.843 56.400 0.081 0.000 0.998 165 E CB 1.484 31.214 29.700 0.049 0.000 1.312 165 E HN 0.068 nan 8.360 nan 0.000 0.412 166 P HA -0.216 nan 4.420 nan 0.000 0.220 166 P C 0.734 178.086 177.300 0.087 0.000 1.144 166 P CA 1.123 64.281 63.100 0.095 0.000 0.800 166 P CB 0.319 31.930 31.700 -0.150 0.000 0.772 167 K N -0.531 119.900 120.400 0.053 0.000 2.296 167 K HA 0.014 4.334 4.320 -0.000 0.000 0.200 167 K C 1.267 177.897 176.600 0.050 0.000 1.048 167 K CA 0.500 56.810 56.287 0.039 0.000 0.966 167 K CB -0.319 32.193 32.500 0.019 0.000 0.754 167 K HN 0.348 nan 8.250 nan 0.000 0.466 168 C N -0.771 118.564 119.300 0.058 0.000 2.405 168 C HA 0.574 5.034 4.460 -0.000 0.000 0.365 168 C C 1.493 176.512 174.990 0.048 0.000 1.233 168 C CA -1.130 57.912 59.018 0.040 0.000 2.230 168 C CB 0.656 28.410 27.740 0.023 0.000 2.443 168 C HN 0.398 nan 8.230 nan 0.000 0.556 169 G N 1.087 109.904 108.800 0.028 0.000 3.332 169 G HA2 0.374 4.334 3.960 -0.000 0.000 0.242 169 G HA3 0.374 4.334 3.960 -0.000 0.000 0.242 169 G C 1.138 176.016 174.900 -0.037 0.000 1.276 169 G CA 0.586 45.696 45.100 0.016 0.000 0.988 169 G HN 1.295 nan 8.290 nan 0.000 0.517 170 A N 0.512 123.297 122.820 -0.059 0.000 1.858 170 A HA -0.057 4.262 4.320 -0.000 0.000 0.216 170 A C 2.523 179.983 177.584 -0.207 0.000 1.190 170 A CA 2.308 54.285 52.037 -0.100 0.000 0.617 170 A CB -0.800 18.147 19.000 -0.088 0.000 0.827 170 A HN 0.291 nan 8.150 nan 0.000 0.443 171 T N 0.083 114.384 114.554 -0.420 0.000 2.746 171 T HA -0.119 4.230 4.350 -0.000 0.000 0.267 171 T C 1.769 176.095 174.700 -0.624 0.000 1.039 171 T CA 1.839 63.408 62.100 -0.884 0.000 1.142 171 T CB -0.306 67.433 68.868 -1.882 0.000 0.866 171 T HN 0.606 nan 8.240 nan 0.000 0.444 172 E N 1.065 121.030 120.200 -0.392 0.000 2.153 172 E HA -0.044 4.305 4.350 -0.000 0.000 0.194 172 E C 2.221 178.789 176.600 -0.053 0.000 0.988 172 E CA 0.902 57.212 56.400 -0.150 0.000 0.811 172 E CB -0.108 29.584 29.700 -0.013 0.000 0.746 172 E HN 0.444 nan 8.360 nan 0.000 0.466 173 K N 0.370 120.738 120.400 -0.054 0.000 2.062 173 K HA -0.091 4.228 4.320 -0.000 0.000 0.205 173 K C 2.210 178.827 176.600 0.029 0.000 1.051 173 K CA 1.094 57.380 56.287 -0.002 0.000 0.941 173 K CB -0.039 32.458 32.500 -0.006 0.000 0.719 173 K HN 0.162 nan 8.250 nan 0.000 0.440 174 Q N 0.390 120.205 119.800 0.024 0.000 2.079 174 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 174 Q C 2.038 178.152 176.000 0.190 0.000 0.974 174 Q CA 0.822 56.685 55.803 0.101 0.000 0.840 174 Q CB -0.056 28.788 28.738 0.176 0.000 0.898 174 Q HN 0.132 nan 8.270 nan 0.000 0.430 175 L N 0.695 122.034 121.223 0.193 0.000 2.083 175 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 175 L C 2.256 179.280 176.870 0.255 0.000 1.083 175 L CA 1.837 56.840 54.840 0.272 0.000 0.752 175 L CB -1.225 40.941 42.059 0.178 0.000 0.899 175 L HN 0.138 nan 8.230 nan 0.000 0.433 176 A N -0.545 122.369 122.820 0.157 0.000 1.902 176 A HA -0.188 4.131 4.320 -0.000 0.000 0.217 176 A C 2.291 179.955 177.584 0.134 0.000 1.181 176 A CA 1.903 54.017 52.037 0.129 0.000 0.623 176 A CB -0.646 18.403 19.000 0.082 0.000 0.818 176 A HN 0.415 nan 8.150 nan 0.000 0.443 177 I N -2.167 118.483 120.570 0.133 0.000 2.315 177 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 177 I C 2.332 178.547 176.117 0.163 0.000 1.117 177 I CA 1.231 62.602 61.300 0.118 0.000 1.404 177 I CB -0.321 37.729 38.000 0.083 0.000 1.071 177 I HN 0.408 nan 8.210 nan 0.000 0.419 178 F N 2.299 122.282 119.950 0.054 0.000 2.102 178 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 178 F C 2.411 178.238 175.800 0.045 0.000 1.105 178 F CA 1.713 59.740 58.000 0.045 0.000 1.239 178 F CB -0.409 38.605 39.000 0.023 0.000 0.991 178 F HN 0.068 nan 8.300 nan 0.000 0.474 179 N N -0.250 118.559 118.700 0.182 0.000 2.120 179 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 179 N C 1.804 177.304 175.510 -0.017 0.000 1.024 179 N CA 2.053 55.143 53.050 0.067 0.000 0.852 179 N CB -0.863 37.733 38.487 0.182 0.000 1.003 179 N HN 0.307 nan 8.380 nan 0.000 0.424 180 T N 0.804 115.377 114.554 0.032 0.000 2.746 180 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 180 T C 1.667 176.358 174.700 -0.015 0.000 1.039 180 T CA 0.796 62.905 62.100 0.015 0.000 1.142 180 T CB -0.399 68.498 68.868 0.050 0.000 0.866 180 T HN 0.273 nan 8.240 nan 0.000 0.444 181 F N 0.822 120.666 119.950 -0.176 0.000 2.259 181 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 181 F C 2.079 177.678 175.800 -0.336 0.000 1.088 181 F CA 0.608 58.466 58.000 -0.237 0.000 1.358 181 F CB -0.194 38.663 39.000 -0.238 0.000 1.040 181 F HN 0.129 nan 8.300 nan 0.000 0.505 182 C N 1.033 120.048 119.300 -0.476 0.000 2.481 182 C HA 0.007 4.467 4.460 -0.000 0.000 0.275 182 C C 0.780 175.517 174.990 -0.421 0.000 1.419 182 C CA -0.250 58.415 59.018 -0.587 0.000 1.773 182 C CB -1.667 25.714 27.740 -0.599 0.000 1.862 182 C HN 0.313 nan 8.230 nan 0.000 0.530 183 E N 0.595 120.615 120.200 -0.299 0.000 2.558 183 E HA 0.275 4.625 4.350 -0.000 0.000 0.255 183 E C 1.298 177.762 176.600 -0.227 0.000 0.968 183 E CA 0.859 57.141 56.400 -0.197 0.000 0.939 183 E CB 0.004 29.625 29.700 -0.131 0.000 0.921 183 E HN 0.566 nan 8.360 nan 0.000 0.477 184 G N 3.224 111.925 108.800 -0.165 0.000 2.189 184 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.267 184 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.267 184 G C 0.021 174.817 174.900 -0.173 0.000 0.975 184 G CA 0.409 45.422 45.100 -0.145 0.000 0.644 184 G HN 0.437 nan 8.290 nan 0.000 0.537 185 K N 1.196 121.449 120.400 -0.245 0.000 2.138 185 K HA 0.535 4.855 4.320 -0.000 0.000 0.263 185 K C -1.648 174.869 176.600 -0.138 0.000 0.965 185 K CA -1.501 54.642 56.287 -0.239 0.000 0.868 185 K CB 2.127 34.342 32.500 -0.474 0.000 1.083 185 K HN 0.163 nan 8.250 nan 0.000 0.443 186 P HA 0.281 nan 4.420 nan 0.000 0.312 186 P C -0.216 177.059 177.300 -0.041 0.000 1.308 186 P CA -0.217 62.858 63.100 -0.041 0.000 0.743 186 P CB 0.315 32.003 31.700 -0.020 0.000 1.364 187 G N -0.661 108.113 108.800 -0.044 0.000 2.767 187 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 187 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 187 G C -0.506 174.353 174.900 -0.067 0.000 1.213 187 G CA -0.762 44.291 45.100 -0.079 0.000 0.803 187 G HN 0.619 nan 8.290 nan 0.000 0.603 188 Q N 0.775 120.513 119.800 -0.103 0.000 2.432 188 Q HA 0.326 4.665 4.340 -0.000 0.000 0.264 188 Q C 0.943 176.967 176.000 0.040 0.000 1.035 188 Q CA 0.483 56.290 55.803 0.008 0.000 0.908 188 Q CB 0.688 29.395 28.738 -0.051 0.000 1.280 188 Q HN 0.639 nan 8.270 nan 0.000 0.455 189 R N 0.312 120.927 120.500 0.192 0.000 2.599 189 R HA 0.593 4.933 4.340 -0.000 0.000 0.295 189 R C -0.734 175.821 176.300 0.425 0.000 0.963 189 R CA -0.497 55.751 56.100 0.246 0.000 0.883 189 R CB 1.996 32.306 30.300 0.017 0.000 1.171 189 R HN 0.525 nan 8.270 nan 0.000 0.450 190 S N 2.606 118.582 115.700 0.460 0.000 2.603 190 S HA 0.422 4.891 4.470 -0.000 0.000 0.274 190 S C -0.551 174.079 174.600 0.049 0.000 1.168 190 S CA -0.585 57.828 58.200 0.356 0.000 0.963 190 S CB 1.137 64.601 63.200 0.441 0.000 1.078 190 S HN 0.785 nan 8.310 nan 0.000 0.477 191 I N 3.310 123.803 120.570 -0.127 0.000 4.983 191 I HA 0.496 4.666 4.170 -0.000 0.000 0.346 191 I C 0.328 176.177 176.117 -0.446 0.000 1.261 191 I CA -0.030 60.959 61.300 -0.517 0.000 1.406 191 I CB 0.378 37.678 38.000 -1.165 0.000 1.529 191 I HN 0.683 nan 8.210 nan 0.000 0.524 192 A N 1.700 124.463 122.820 -0.094 0.000 2.301 192 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 192 A C 0.137 177.807 177.584 0.143 0.000 1.185 192 A CA 0.336 52.421 52.037 0.081 0.000 0.830 192 A CB 0.602 19.750 19.000 0.247 0.000 1.112 192 A HN 0.390 nan 8.150 nan 0.000 0.508 193 A N 1.563 124.506 122.820 0.205 0.000 3.200 193 A HA 0.683 5.003 4.320 -0.000 0.000 0.208 193 A C 1.557 179.243 177.584 0.171 0.000 1.360 193 A CA 0.481 52.647 52.037 0.214 0.000 0.892 193 A CB -0.457 18.767 19.000 0.373 0.000 1.600 193 A HN 0.817 nan 8.150 nan 0.000 0.501 194 S N -0.331 115.459 115.700 0.151 0.000 2.368 194 S HA -0.159 4.310 4.470 -0.000 0.000 0.226 194 S C 1.986 176.624 174.600 0.063 0.000 1.044 194 S CA 2.116 60.356 58.200 0.067 0.000 1.062 194 S CB -0.806 62.431 63.200 0.062 0.000 0.931 194 S HN 1.020 nan 8.310 nan 0.000 0.440 195 G N 0.947 109.834 108.800 0.144 0.000 2.433 195 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.216 195 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.216 195 G C 1.481 176.559 174.900 0.296 0.000 1.186 195 G CA 0.988 46.189 45.100 0.168 0.000 0.779 195 G HN 0.583 nan 8.290 nan 0.000 0.543 196 G N 0.891 109.934 108.800 0.405 0.000 2.442 196 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 196 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 196 G C 1.775 176.945 174.900 0.451 0.000 1.141 196 G CA 0.835 46.269 45.100 0.557 0.000 0.763 196 G HN 0.457 nan 8.290 nan 0.000 0.554 197 I N 0.146 120.885 120.570 0.282 0.000 2.179 197 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 197 I C 2.646 178.893 176.117 0.218 0.000 1.088 197 I CA 0.888 62.303 61.300 0.192 0.000 1.357 197 I CB -0.182 37.806 38.000 -0.022 0.000 1.051 197 I HN 0.137 nan 8.210 nan 0.000 0.409 198 L N -0.249 120.998 121.223 0.041 0.000 2.131 198 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 198 L C 2.135 178.986 176.870 -0.032 0.000 1.087 198 L CA 0.941 55.740 54.840 -0.068 0.000 0.767 198 L CB -0.227 41.577 42.059 -0.425 0.000 0.917 198 L HN 0.232 nan 8.230 nan 0.000 0.441 199 L N -2.597 118.587 121.223 -0.065 0.000 2.609 199 L HA 0.081 4.420 4.340 -0.000 0.000 0.230 199 L C -0.182 176.327 176.870 -0.602 0.000 1.087 199 L CA -0.010 54.624 54.840 -0.343 0.000 0.874 199 L CB 0.193 41.962 42.059 -0.485 0.000 1.114 199 L HN 0.243 nan 8.230 nan 0.000 0.488 200 W N 1.032 122.306 121.300 -0.043 0.000 2.433 200 W HA 0.363 5.022 4.660 -0.001 0.000 0.288 200 W C -1.874 174.508 176.519 -0.228 0.000 0.986 200 W CA -1.573 55.708 57.345 -0.107 0.000 1.680 200 W CB 0.265 29.662 29.460 -0.106 0.000 1.615 200 W HN -0.229 nan 8.180 nan 0.000 0.416 201 P HA -0.169 nan 4.420 nan 0.000 0.230 201 P C 0.618 177.467 177.300 -0.753 0.000 1.158 201 P CA 1.379 63.961 63.100 -0.864 0.000 0.769 201 P CB 0.470 31.936 31.700 -0.389 0.000 0.807 202 Q N -0.173 119.437 119.800 -0.318 0.000 2.425 202 Q HA 0.052 4.392 4.340 -0.000 0.000 0.204 202 Q C 1.731 177.474 176.000 -0.428 0.000 0.933 202 Q CA 0.821 56.467 55.803 -0.262 0.000 0.939 202 Q CB -0.335 28.359 28.738 -0.073 0.000 1.044 202 Q HN 0.279 nan 8.270 nan 0.000 0.513 203 S N -1.448 114.084 115.700 -0.281 0.000 2.577 203 S HA 0.120 4.590 4.470 -0.000 0.000 0.219 203 S C 1.017 175.487 174.600 -0.218 0.000 0.962 203 S CA -0.322 57.719 58.200 -0.266 0.000 0.921 203 S CB -0.297 63.082 63.200 0.299 0.000 0.789 203 S HN 0.415 nan 8.310 nan 0.000 0.497 204 H N 0.945 119.827 119.070 -0.314 0.000 2.326 204 H HA 0.054 4.609 4.556 -0.000 0.000 0.301 204 H C 0.467 175.817 175.328 0.037 0.000 1.081 204 H CA 0.894 56.888 56.048 -0.090 0.000 1.334 204 H CB -0.176 29.546 29.762 -0.066 0.000 1.385 204 H HN 0.338 nan 8.280 nan 0.000 0.504 205 F N 0.053 120.158 119.950 0.258 0.000 1.897 205 F HA -0.456 4.071 4.527 -0.000 0.000 0.219 205 F C 1.736 177.644 175.800 0.179 0.000 0.336 205 F CA 1.081 59.211 58.000 0.217 0.000 0.735 205 F CB -0.719 38.440 39.000 0.265 0.000 2.719 205 F HN 0.212 nan 8.300 nan 0.000 0.502 206 D N -1.753 118.934 120.400 0.478 0.000 2.162 206 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 206 D C -0.124 176.259 176.300 0.138 0.000 0.964 206 D CA 1.608 55.786 54.000 0.296 0.000 0.847 206 D CB 0.004 41.059 40.800 0.425 0.000 0.988 206 D HN 0.206 nan 8.370 nan 0.000 0.480 207 W N 0.894 122.335 121.300 0.235 0.000 2.883 207 W HA 0.399 5.058 4.660 -0.001 0.000 0.335 207 W C -0.491 176.124 176.519 0.161 0.000 1.083 207 W CA -0.942 56.520 57.345 0.196 0.000 1.233 207 W CB 1.332 30.966 29.460 0.291 0.000 1.412 207 W HN -0.345 nan 8.180 nan 0.000 0.490 208 V N 0.545 120.615 119.914 0.261 0.000 2.769 208 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 208 V C -0.270 175.911 176.094 0.145 0.000 1.058 208 V CA -1.670 60.719 62.300 0.149 0.000 0.952 208 V CB 1.982 33.794 31.823 -0.018 0.000 1.019 208 V HN 0.596 nan 8.190 nan 0.000 0.445 209 R N 3.000 123.565 120.500 0.109 0.000 2.505 209 R HA 0.398 4.737 4.340 -0.000 0.000 0.284 209 R C -2.788 173.539 176.300 0.044 0.000 1.324 209 R CA -1.551 54.594 56.100 0.076 0.000 1.432 209 R CB 1.174 31.510 30.300 0.061 0.000 1.107 209 R HN 0.613 nan 8.270 nan 0.000 0.587 210 P HA 0.067 nan 4.420 nan 0.000 0.276 210 P C -0.231 177.012 177.300 -0.095 0.000 1.243 210 P CA 0.217 63.282 63.100 -0.058 0.000 0.768 210 P CB 1.965 33.594 31.700 -0.119 0.000 0.856 211 G N 2.760 111.510 108.800 -0.083 0.000 2.560 211 G HA2 0.042 4.002 3.960 -0.000 0.000 0.212 211 G HA3 0.042 4.002 3.960 -0.000 0.000 0.212 211 G C 1.161 175.849 174.900 -0.354 0.000 2.038 211 G CA -0.217 44.764 45.100 -0.200 0.000 0.728 211 G HN 0.441 nan 8.290 nan 0.000 0.784 212 I N 0.775 121.223 120.570 -0.203 0.000 2.151 212 I HA -0.135 4.034 4.170 -0.000 0.000 0.243 212 I C 2.455 178.518 176.117 -0.091 0.000 1.080 212 I CA 1.190 62.407 61.300 -0.138 0.000 1.339 212 I CB 0.069 37.870 38.000 -0.333 0.000 1.039 212 I HN 0.259 nan 8.210 nan 0.000 0.409 213 I N 0.455 120.950 120.570 -0.125 0.000 2.756 213 I HA -0.260 3.910 4.170 -0.000 0.000 0.262 213 I C 2.182 178.193 176.117 -0.176 0.000 1.225 213 I CA 0.930 62.158 61.300 -0.120 0.000 1.472 213 I CB -0.047 37.867 38.000 -0.144 0.000 1.094 213 I HN 0.372 nan 8.210 nan 0.000 0.454 214 L N 0.139 121.162 121.223 -0.333 0.000 2.191 214 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 214 L C 1.359 177.853 176.870 -0.627 0.000 1.103 214 L CA 1.667 56.198 54.840 -0.516 0.000 0.769 214 L CB -0.384 41.225 42.059 -0.751 0.000 0.908 214 L HN 0.298 nan 8.230 nan 0.000 0.438 215 Y N -0.565 119.602 120.300 -0.221 0.000 2.493 215 Y HA 0.285 4.835 4.550 -0.000 0.000 0.275 215 Y C 1.567 177.434 175.900 -0.055 0.000 1.183 215 Y CA 0.337 58.304 58.100 -0.221 0.000 1.258 215 Y CB -0.029 38.185 38.460 -0.409 0.000 1.108 215 Y HN 0.284 nan 8.280 nan 0.000 0.521 216 G N 0.635 109.453 108.800 0.029 0.000 2.176 216 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 216 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 216 G C -0.485 174.469 174.900 0.091 0.000 1.024 216 G CA 0.250 45.396 45.100 0.077 0.000 0.755 216 G HN 0.176 nan 8.290 nan 0.000 0.507 217 V N 0.012 119.965 119.914 0.065 0.000 2.604 217 V HA 0.732 4.852 4.120 -0.000 0.000 0.305 217 V C 0.721 176.825 176.094 0.016 0.000 1.043 217 V CA -0.192 62.130 62.300 0.037 0.000 0.888 217 V CB 1.868 33.692 31.823 0.000 0.000 0.995 217 V HN 0.564 nan 8.190 nan 0.000 0.429 218 S N 5.370 121.110 115.700 0.066 0.000 2.548 218 S HA 0.315 4.785 4.470 -0.000 0.000 0.277 218 S C -1.232 173.396 174.600 0.047 0.000 1.315 218 S CA -0.970 57.291 58.200 0.102 0.000 1.050 218 S CB 1.099 64.441 63.200 0.237 0.000 0.918 218 S HN 0.717 nan 8.310 nan 0.000 0.497 219 P HA 0.174 nan 4.420 nan 0.000 0.249 219 P C -0.116 177.328 177.300 0.239 0.000 1.229 219 P CA 0.151 63.371 63.100 0.200 0.000 0.788 219 P CB 0.170 31.991 31.700 0.202 0.000 1.072 220 L N 0.622 121.941 121.223 0.161 0.000 2.344 220 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 220 L C -1.605 175.339 176.870 0.123 0.000 1.035 220 L CA -1.976 52.949 54.840 0.142 0.000 0.807 220 L CB 1.980 44.137 42.059 0.163 0.000 1.237 220 L HN -0.285 nan 8.230 nan 0.000 0.442 221 P HA 0.084 nan 4.420 nan 0.000 0.268 221 P C -1.221 176.111 177.300 0.054 0.000 1.329 221 P CA -0.062 63.081 63.100 0.071 0.000 0.899 221 P CB 0.262 31.997 31.700 0.057 0.000 1.378 222 D N -1.945 118.490 120.400 0.059 0.000 2.494 222 D HA 0.207 4.846 4.640 -0.000 0.000 0.259 222 D C 0.787 177.111 176.300 0.039 0.000 1.109 222 D CA -0.850 53.175 54.000 0.042 0.000 1.040 222 D CB 0.599 41.421 40.800 0.036 0.000 1.175 222 D HN -0.314 nan 8.370 nan 0.000 0.584 223 R N -0.075 120.439 120.500 0.023 0.000 2.389 223 R HA 0.065 4.405 4.340 -0.000 0.000 0.210 223 R C 0.114 176.422 176.300 0.012 0.000 1.157 223 R CA 0.071 56.180 56.100 0.015 0.000 1.169 223 R CB -1.606 28.697 30.300 0.005 0.000 1.004 223 R HN 0.567 nan 8.270 nan 0.000 0.482 224 S N -0.325 115.393 115.700 0.031 0.000 2.584 224 S HA 0.374 4.844 4.470 -0.000 0.000 0.273 224 S C 0.594 175.235 174.600 0.069 0.000 1.311 224 S CA -0.631 57.586 58.200 0.029 0.000 1.034 224 S CB 1.966 65.210 63.200 0.073 0.000 0.939 224 S HN 0.271 nan 8.310 nan 0.000 0.513 225 T N -1.417 113.164 114.554 0.045 0.000 2.807 225 T HA 0.675 5.024 4.350 -0.000 0.000 0.277 225 T C 1.346 176.140 174.700 0.157 0.000 1.006 225 T CA -0.367 61.781 62.100 0.080 0.000 1.006 225 T CB 0.748 69.637 68.868 0.035 0.000 1.274 225 T HN 0.660 nan 8.240 nan 0.000 0.569 226 G N -0.276 108.617 108.800 0.155 0.000 2.448 226 G HA2 0.101 4.060 3.960 -0.000 0.000 0.219 226 G HA3 0.101 4.060 3.960 -0.000 0.000 0.219 226 G C 1.571 176.582 174.900 0.185 0.000 1.127 226 G CA 0.652 45.884 45.100 0.221 0.000 0.766 226 G HN 1.102 nan 8.290 nan 0.000 0.552 227 A N 0.704 123.568 122.820 0.074 0.000 2.121 227 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 227 A C 1.865 179.404 177.584 -0.075 0.000 1.154 227 A CA 1.690 53.738 52.037 0.017 0.000 0.679 227 A CB -0.211 18.788 19.000 -0.002 0.000 0.795 227 A HN 0.291 nan 8.150 nan 0.000 0.458 228 D N -1.343 118.930 120.400 -0.212 0.000 2.312 228 D HA -0.013 4.627 4.640 -0.000 0.000 0.211 228 D C 0.506 176.341 176.300 -0.774 0.000 0.964 228 D CA 1.075 54.749 54.000 -0.544 0.000 0.877 228 D CB -0.122 40.181 40.800 -0.828 0.000 0.924 228 D HN 0.588 nan 8.370 nan 0.000 0.515 229 F N -1.651 118.308 119.950 0.015 0.000 2.688 229 F HA 0.349 4.875 4.527 -0.001 0.000 0.310 229 F C 1.614 177.431 175.800 0.029 0.000 1.098 229 F CA -0.228 57.780 58.000 0.014 0.000 1.228 229 F CB 0.831 39.837 39.000 0.009 0.000 1.042 229 F HN -0.077 nan 8.300 nan 0.000 0.557 230 G N 0.363 109.242 108.800 0.132 0.000 2.136 230 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 230 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 230 G C -0.120 174.936 174.900 0.260 0.000 0.989 230 G CA -0.090 45.108 45.100 0.163 0.000 0.682 230 G HN 0.346 nan 8.290 nan 0.000 0.522 231 C N 0.800 120.230 119.300 0.216 0.000 2.341 231 C HA 0.672 5.132 4.460 -0.000 0.000 0.338 231 C C 0.577 175.656 174.990 0.150 0.000 1.257 231 C CA -0.661 58.484 59.018 0.211 0.000 1.883 231 C CB 1.177 29.006 27.740 0.148 0.000 2.334 231 C HN 0.589 nan 8.230 nan 0.000 0.524 232 Q N 4.089 123.971 119.800 0.137 0.000 2.257 232 Q HA 0.325 4.665 4.340 -0.000 0.000 0.255 232 Q C -2.315 173.733 176.000 0.079 0.000 0.920 232 Q CA -1.537 54.295 55.803 0.048 0.000 0.927 232 Q CB 1.332 30.034 28.738 -0.060 0.000 1.229 232 Q HN 0.514 nan 8.270 nan 0.000 0.433 233 P HA -0.074 nan 4.420 nan 0.000 0.267 233 P C -0.011 177.380 177.300 0.152 0.000 1.205 233 P CA 0.243 63.420 63.100 0.129 0.000 0.765 233 P CB 1.075 32.849 31.700 0.123 0.000 0.828 234 V N 3.639 123.686 119.914 0.221 0.000 2.685 234 V HA 0.041 4.160 4.120 -0.000 0.000 0.244 234 V C 1.495 177.767 176.094 0.296 0.000 1.054 234 V CA 1.197 63.649 62.300 0.254 0.000 1.076 234 V CB -0.374 31.620 31.823 0.286 0.000 0.725 234 V HN 0.555 nan 8.190 nan 0.000 0.467 235 M N 0.391 120.208 119.600 0.362 0.000 2.318 235 M HA 0.418 4.898 4.480 -0.000 0.000 0.347 235 M C -0.871 175.563 176.300 0.223 0.000 1.175 235 M CA 0.270 55.712 55.300 0.237 0.000 1.075 235 M CB 1.500 34.177 32.600 0.128 0.000 1.614 235 M HN 0.140 nan 8.290 nan 0.000 0.456 236 S N 4.815 120.561 115.700 0.077 0.000 2.707 236 S HA 0.455 4.924 4.470 -0.000 0.000 0.303 236 S C -1.202 173.275 174.600 -0.204 0.000 1.132 236 S CA -0.685 57.516 58.200 0.000 0.000 1.046 236 S CB 1.368 64.563 63.200 -0.008 0.000 1.004 236 S HN 0.697 nan 8.310 nan 0.000 0.483 237 L N 5.481 126.389 121.223 -0.525 0.000 2.261 237 L HA 0.604 4.943 4.340 -0.000 0.000 0.289 237 L C 0.306 176.913 176.870 -0.439 0.000 1.059 237 L CA 0.450 54.884 54.840 -0.677 0.000 0.816 237 L CB 0.202 41.392 42.059 -1.450 0.000 1.191 237 L HN 0.743 nan 8.230 nan 0.000 0.431 238 T N 1.226 115.608 114.554 -0.286 0.000 2.926 238 T HA 0.892 5.242 4.350 -0.000 0.000 0.289 238 T C -0.218 174.374 174.700 -0.180 0.000 1.054 238 T CA -0.336 61.642 62.100 -0.203 0.000 1.015 238 T CB 1.877 70.660 68.868 -0.142 0.000 1.167 238 T HN 0.628 nan 8.240 nan 0.000 0.526 239 S N -0.514 115.097 115.700 -0.150 0.000 2.862 239 S HA 0.762 5.232 4.470 -0.000 0.000 0.300 239 S C -1.609 172.926 174.600 -0.108 0.000 1.240 239 S CA -0.617 57.504 58.200 -0.132 0.000 1.025 239 S CB 0.868 63.975 63.200 -0.155 0.000 1.340 239 S HN 1.066 nan 8.310 nan 0.000 0.544 240 S N 0.139 115.778 115.700 -0.102 0.000 2.607 240 S HA 0.622 5.092 4.470 -0.000 0.000 0.273 240 S C -1.526 173.021 174.600 -0.088 0.000 1.148 240 S CA -0.699 57.450 58.200 -0.085 0.000 0.833 240 S CB 1.177 64.335 63.200 -0.069 0.000 1.130 240 S HN 0.617 nan 8.310 nan 0.000 0.470 241 L N 2.263 123.440 121.223 -0.077 0.000 2.371 241 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 241 L C 0.851 177.682 176.870 -0.066 0.000 1.124 241 L CA -0.184 54.610 54.840 -0.077 0.000 0.816 241 L CB 0.496 42.515 42.059 -0.068 0.000 1.129 241 L HN 0.764 nan 8.230 nan 0.000 0.448 242 I N -0.354 120.176 120.570 -0.067 0.000 4.082 242 I HA 0.611 4.781 4.170 -0.000 0.000 0.337 242 I C 0.278 176.365 176.117 -0.050 0.000 1.352 242 I CA -0.177 61.089 61.300 -0.057 0.000 1.097 242 I CB 0.578 38.543 38.000 -0.060 0.000 1.048 242 I HN 0.498 nan 8.210 nan 0.000 0.393 243 A N 0.488 123.277 122.820 -0.052 0.000 2.590 243 A HA 0.688 5.008 4.320 -0.000 0.000 0.296 243 A C -1.534 176.023 177.584 -0.046 0.000 1.050 243 A CA -0.412 51.598 52.037 -0.044 0.000 0.697 243 A CB 1.518 20.492 19.000 -0.043 0.000 1.277 243 A HN -0.046 nan 8.150 nan 0.000 0.411 244 V N 2.848 122.742 119.914 -0.033 0.000 2.447 244 V HA 0.561 4.681 4.120 -0.000 0.000 0.292 244 V C -0.142 175.944 176.094 -0.014 0.000 1.021 244 V CA -0.332 61.950 62.300 -0.029 0.000 0.850 244 V CB 1.521 33.329 31.823 -0.025 0.000 1.005 244 V HN 0.931 nan 8.190 nan 0.000 0.426 245 R N 2.678 123.174 120.500 -0.007 0.000 2.854 245 R HA 0.645 4.985 4.340 -0.000 0.000 0.271 245 R C -0.817 175.511 176.300 0.046 0.000 0.996 245 R CA -1.024 55.086 56.100 0.016 0.000 0.961 245 R CB 2.001 32.312 30.300 0.018 0.000 1.182 245 R HN 0.499 nan 8.270 nan 0.000 0.479 246 E N 1.329 121.565 120.200 0.060 0.000 2.373 246 E HA 0.136 4.486 4.350 -0.000 0.000 0.263 246 E C -0.770 175.927 176.600 0.160 0.000 1.073 246 E CA 0.032 56.482 56.400 0.084 0.000 0.894 246 E CB 1.014 30.744 29.700 0.051 0.000 1.008 246 E HN 0.414 nan 8.360 nan 0.000 0.420 247 H N 0.074 119.167 119.070 0.038 0.000 3.012 247 H HA 0.409 4.964 4.556 -0.000 0.000 0.367 247 H C -1.091 174.263 175.328 0.044 0.000 1.211 247 H CA -0.585 55.495 56.048 0.054 0.000 1.139 247 H CB 1.266 31.088 29.762 0.100 0.000 1.838 247 H HN 0.207 nan 8.280 nan 0.000 0.550 248 K N 1.735 121.901 120.400 -0.390 0.000 2.340 248 K HA 0.706 5.026 4.320 -0.000 0.000 0.244 248 K C -0.776 175.671 176.600 -0.255 0.000 0.973 248 K CA -1.078 55.074 56.287 -0.226 0.000 0.828 248 K CB 2.315 34.722 32.500 -0.155 0.000 1.226 248 K HN 0.699 nan 8.250 nan 0.000 0.437 249 A N 0.461 123.207 122.820 -0.123 0.000 2.587 249 A HA 0.324 4.643 4.320 -0.000 0.000 0.233 249 A C 1.223 178.720 177.584 -0.144 0.000 1.049 249 A CA 1.412 53.383 52.037 -0.110 0.000 0.754 249 A CB -0.889 18.071 19.000 -0.067 0.000 0.977 249 A HN 0.981 nan 8.150 nan 0.000 0.509 250 G N 1.258 109.964 108.800 -0.157 0.000 2.234 250 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 250 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 250 G C 0.073 174.881 174.900 -0.154 0.000 0.987 250 G CA 0.629 45.642 45.100 -0.146 0.000 0.625 250 G HN 0.924 nan 8.290 nan 0.000 0.532 251 E N 2.286 122.364 120.200 -0.203 0.000 2.259 251 E HA 0.413 4.762 4.350 -0.000 0.000 0.281 251 E C -2.099 174.516 176.600 0.026 0.000 1.027 251 E CA -1.693 54.609 56.400 -0.163 0.000 0.838 251 E CB 1.766 31.219 29.700 -0.412 0.000 1.066 251 E HN 0.293 nan 8.360 nan 0.000 0.401 252 P HA 0.182 nan 4.420 nan 0.000 0.278 252 P C -0.728 176.735 177.300 0.272 0.000 1.266 252 P CA -0.394 62.783 63.100 0.129 0.000 0.807 252 P CB 1.149 32.892 31.700 0.071 0.000 1.094 253 V N -0.350 119.736 119.914 0.286 0.000 2.760 253 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 253 V C 0.496 176.661 176.094 0.119 0.000 1.077 253 V CA 0.251 62.674 62.300 0.205 0.000 0.910 253 V CB 0.922 32.879 31.823 0.224 0.000 1.008 253 V HN 1.140 nan 8.190 nan 0.000 0.424 254 G N 3.020 111.820 108.800 -0.000 0.000 2.796 254 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 254 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 254 G C -0.771 174.112 174.900 -0.029 0.000 1.381 254 G CA -0.478 44.569 45.100 -0.089 0.000 0.867 254 G HN 0.759 nan 8.290 nan 0.000 0.552 255 Y N 0.857 121.200 120.300 0.072 0.000 2.597 255 Y HA 0.315 4.864 4.550 -0.001 0.000 0.336 255 Y C 1.969 177.912 175.900 0.071 0.000 1.216 255 Y CA 1.597 59.738 58.100 0.068 0.000 1.463 255 Y CB 0.637 39.139 38.460 0.071 0.000 1.303 255 Y HN 2.112 nan 8.280 nan 0.000 0.576 256 G N 1.224 110.166 108.800 0.237 0.000 2.189 256 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.267 256 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.267 256 G C 1.061 176.034 174.900 0.121 0.000 0.975 256 G CA 0.512 45.702 45.100 0.149 0.000 0.644 256 G HN 1.842 nan 8.290 nan 0.000 0.537 257 G N -1.147 107.728 108.800 0.124 0.000 2.321 257 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.287 257 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.287 257 G C 1.207 176.177 174.900 0.116 0.000 1.018 257 G CA 1.568 46.731 45.100 0.106 0.000 0.855 257 G HN 1.446 nan 8.290 nan 0.000 0.507 258 T N -1.730 112.914 114.554 0.149 0.000 2.721 258 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 258 T C 0.825 175.660 174.700 0.226 0.000 1.038 258 T CA 1.853 64.053 62.100 0.167 0.000 1.145 258 T CB 0.037 69.010 68.868 0.175 0.000 0.858 258 T HN 0.645 nan 8.240 nan 0.000 0.459 259 W N 0.831 122.155 121.300 0.040 0.000 2.785 259 W HA 0.550 5.210 4.660 0.000 0.000 0.333 259 W C -1.937 174.613 176.519 0.053 0.000 1.062 259 W CA -1.013 56.355 57.345 0.038 0.000 1.233 259 W CB 1.365 30.838 29.460 0.023 0.000 1.413 259 W HN -0.317 nan 8.180 nan 0.000 0.489 260 V N 4.995 124.460 119.914 -0.749 0.000 2.540 260 V HA 0.373 4.493 4.120 -0.000 0.000 0.302 260 V C -0.008 175.348 176.094 -1.229 0.000 1.035 260 V CA -0.956 60.925 62.300 -0.698 0.000 0.873 260 V CB 1.430 33.047 31.823 -0.342 0.000 0.992 260 V HN 0.534 nan 8.190 nan 0.000 0.428 261 S N 2.322 117.416 115.700 -1.010 0.000 2.548 261 S HA 0.233 4.703 4.470 -0.000 0.000 0.277 261 S C 0.870 175.278 174.600 -0.320 0.000 1.315 261 S CA -0.329 57.421 58.200 -0.750 0.000 1.050 261 S CB 0.735 63.865 63.200 -0.117 0.000 0.918 261 S HN 0.828 nan 8.310 nan 0.000 0.497 262 E N 2.090 122.180 120.200 -0.183 0.000 2.479 262 E HA 0.089 4.439 4.350 -0.000 0.000 0.193 262 E C -0.093 176.487 176.600 -0.033 0.000 1.049 262 E CA 0.034 56.378 56.400 -0.094 0.000 0.870 262 E CB 0.348 30.016 29.700 -0.054 0.000 0.944 262 E HN 0.578 nan 8.360 nan 0.000 0.492 263 R N -0.459 120.044 120.500 0.005 0.000 2.710 263 R HA 0.321 4.660 4.340 -0.000 0.000 0.270 263 R C -1.460 174.875 176.300 0.059 0.000 1.021 263 R CA -0.910 55.209 56.100 0.031 0.000 0.889 263 R CB 0.153 30.485 30.300 0.052 0.000 1.243 263 R HN -0.308 nan 8.270 nan 0.000 0.464 264 D N 0.369 120.791 120.400 0.038 0.000 2.424 264 D HA 0.402 5.042 4.640 -0.000 0.000 0.244 264 D C -0.292 176.064 176.300 0.092 0.000 1.134 264 D CA 0.689 54.717 54.000 0.046 0.000 0.881 264 D CB 1.383 42.196 40.800 0.022 0.000 1.191 264 D HN 0.568 nan 8.370 nan 0.000 0.445 265 T N 1.199 115.836 114.554 0.138 0.000 2.648 265 T HA 0.504 4.854 4.350 -0.000 0.000 0.304 265 T C -1.372 173.409 174.700 0.134 0.000 1.312 265 T CA -0.718 61.465 62.100 0.138 0.000 1.023 265 T CB 0.933 69.914 68.868 0.188 0.000 1.612 265 T HN 0.275 nan 8.240 nan 0.000 0.487 266 R N 1.139 121.692 120.500 0.089 0.000 2.534 266 R HA 0.671 5.011 4.340 -0.000 0.000 0.301 266 R C -1.008 175.301 176.300 0.014 0.000 0.961 266 R CA -0.718 55.416 56.100 0.057 0.000 0.871 266 R CB 1.602 31.919 30.300 0.028 0.000 1.170 266 R HN 0.425 nan 8.270 nan 0.000 0.446 267 L N 1.521 122.736 121.223 -0.013 0.000 2.317 267 L HA 0.595 4.934 4.340 -0.000 0.000 0.281 267 L C 0.662 177.483 176.870 -0.082 0.000 1.024 267 L CA -0.832 53.955 54.840 -0.089 0.000 0.810 267 L CB 1.956 43.918 42.059 -0.161 0.000 1.240 267 L HN 0.710 nan 8.230 nan 0.000 0.427 268 G N 1.797 110.534 108.800 -0.105 0.000 2.400 268 G HA2 0.586 4.546 3.960 -0.000 0.000 0.333 268 G HA3 0.586 4.546 3.960 -0.000 0.000 0.333 268 G C -1.000 173.831 174.900 -0.115 0.000 1.143 268 G CA -0.353 44.690 45.100 -0.095 0.000 0.914 268 G HN 0.290 nan 8.290 nan 0.000 0.480 269 V N 1.974 121.827 119.914 -0.101 0.000 2.409 269 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 269 V C -0.008 176.019 176.094 -0.112 0.000 1.020 269 V CA -0.655 61.579 62.300 -0.110 0.000 0.848 269 V CB 1.464 33.231 31.823 -0.094 0.000 0.990 269 V HN 0.558 nan 8.190 nan 0.000 0.430 270 V N 3.442 123.276 119.914 -0.134 0.000 2.539 270 V HA 0.561 4.681 4.120 -0.000 0.000 0.292 270 V C 0.818 176.829 176.094 -0.140 0.000 1.045 270 V CA -0.521 61.692 62.300 -0.144 0.000 0.945 270 V CB 1.705 33.415 31.823 -0.188 0.000 0.993 270 V HN 0.969 nan 8.190 nan 0.000 0.464 271 A N 5.552 128.296 122.820 -0.126 0.000 3.063 271 A HA 0.636 4.956 4.320 -0.000 0.000 0.263 271 A C -0.139 177.365 177.584 -0.134 0.000 1.736 271 A CA 0.100 52.068 52.037 -0.115 0.000 1.408 271 A CB -0.834 18.109 19.000 -0.095 0.000 1.108 271 A HN 0.827 nan 8.150 nan 0.000 0.621 272 M N 0.743 120.249 119.600 -0.157 0.000 2.365 272 M HA 0.635 5.115 4.480 -0.000 0.000 0.288 272 M C -0.397 175.807 176.300 -0.160 0.000 1.152 272 M CA 0.138 55.334 55.300 -0.173 0.000 0.948 272 M CB 1.609 34.053 32.600 -0.261 0.000 1.729 272 M HN 0.541 nan 8.290 nan 0.000 0.487 273 G N 2.110 110.852 108.800 -0.096 0.000 2.706 273 G HA2 0.381 4.341 3.960 -0.000 0.000 0.307 273 G HA3 0.381 4.341 3.960 -0.000 0.000 0.307 273 G C -0.827 174.098 174.900 0.041 0.000 1.307 273 G CA -0.082 44.972 45.100 -0.076 0.000 0.790 273 G HN 0.961 nan 8.290 nan 0.000 0.503 274 Y N -0.848 119.525 120.300 0.121 0.000 2.529 274 Y HA 0.332 4.882 4.550 -0.001 0.000 0.290 274 Y C 1.974 177.914 175.900 0.067 0.000 1.177 274 Y CA 0.542 58.708 58.100 0.110 0.000 1.305 274 Y CB -0.015 38.500 38.460 0.093 0.000 1.047 274 Y HN 0.443 nan 8.280 nan 0.000 0.522 275 G N 0.213 108.945 108.800 -0.112 0.000 2.744 275 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.211 275 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.211 275 G C 1.049 175.956 174.900 0.012 0.000 1.143 275 G CA 0.682 45.763 45.100 -0.032 0.000 0.788 275 G HN 0.438 nan 8.290 nan 0.000 0.534 276 D N -0.625 119.790 120.400 0.024 0.000 2.423 276 D HA 0.168 4.808 4.640 -0.000 0.000 0.212 276 D C 1.851 178.189 176.300 0.064 0.000 1.060 276 D CA 0.925 54.939 54.000 0.022 0.000 0.872 276 D CB 0.991 41.785 40.800 -0.011 0.000 1.012 276 D HN 0.373 nan 8.370 nan 0.000 0.503 277 G N 0.834 109.709 108.800 0.126 0.000 2.227 277 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.168 277 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.168 277 G C -0.129 174.885 174.900 0.190 0.000 1.006 277 G CA -0.526 44.660 45.100 0.143 0.000 0.684 277 G HN 0.275 nan 8.290 nan 0.000 0.489 278 Y N 4.054 124.425 120.300 0.118 0.000 2.465 278 Y HA 0.464 5.013 4.550 -0.001 0.000 0.331 278 Y C -1.572 174.444 175.900 0.193 0.000 1.102 278 Y CA -1.538 56.653 58.100 0.152 0.000 1.358 278 Y CB 0.867 39.369 38.460 0.070 0.000 1.213 278 Y HN 0.078 nan 8.280 nan 0.000 0.525 279 P HA -0.080 nan 4.420 nan 0.000 0.260 279 P C 0.033 177.402 177.300 0.114 0.000 1.185 279 P CA 0.358 63.417 63.100 -0.069 0.000 0.763 279 P CB 0.677 32.267 31.700 -0.184 0.000 0.776 280 R N 3.851 124.423 120.500 0.122 0.000 2.189 280 R HA -0.068 4.272 4.340 -0.000 0.000 0.223 280 R C 1.860 178.217 176.300 0.094 0.000 1.092 280 R CA 1.271 57.461 56.100 0.150 0.000 0.989 280 R CB -0.410 29.814 30.300 -0.127 0.000 0.876 280 R HN 0.504 nan 8.270 nan 0.000 0.457 281 A N 0.748 123.592 122.820 0.039 0.000 2.168 281 A HA 0.212 4.532 4.320 -0.000 0.000 0.215 281 A C 0.958 178.576 177.584 0.057 0.000 1.152 281 A CA 0.593 52.648 52.037 0.030 0.000 0.716 281 A CB -0.251 18.747 19.000 -0.004 0.000 0.794 281 A HN 0.402 nan 8.150 nan 0.000 0.465 282 A N 2.060 124.935 122.820 0.091 0.000 2.553 282 A HA 0.415 4.734 4.320 -0.000 0.000 0.258 282 A C -1.911 175.742 177.584 0.115 0.000 1.069 282 A CA -0.609 51.503 52.037 0.126 0.000 0.767 282 A CB -0.400 18.772 19.000 0.286 0.000 0.997 282 A HN 0.392 nan 8.150 nan 0.000 0.512 283 P HA 0.176 nan 4.420 nan 0.000 0.277 283 P C -0.027 177.307 177.300 0.057 0.000 1.240 283 P CA -0.381 62.763 63.100 0.073 0.000 0.798 283 P CB 0.916 32.654 31.700 0.063 0.000 0.979 284 S N 0.375 116.103 115.700 0.047 0.000 2.558 284 S HA 0.326 4.796 4.470 -0.000 0.000 0.288 284 S C 1.467 176.065 174.600 -0.003 0.000 1.318 284 S CA 1.483 59.669 58.200 -0.024 0.000 1.056 284 S CB -0.533 62.665 63.200 -0.004 0.000 0.853 284 S HN 0.915 nan 8.310 nan 0.000 0.505 285 G N 2.702 111.470 108.800 -0.052 0.000 2.475 285 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.209 285 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.209 285 G C 0.280 175.183 174.900 0.004 0.000 1.127 285 G CA -0.078 45.015 45.100 -0.011 0.000 0.681 285 G HN 0.808 nan 8.290 nan 0.000 0.517 286 T N 5.465 120.037 114.554 0.030 0.000 2.891 286 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 286 T C -1.954 172.782 174.700 0.060 0.000 1.025 286 T CA 0.778 62.918 62.100 0.066 0.000 1.149 286 T CB 1.252 70.191 68.868 0.117 0.000 1.007 286 T HN 0.410 nan 8.240 nan 0.000 0.528 287 P HA 0.514 nan 4.420 nan 0.000 0.282 287 P C -0.987 176.352 177.300 0.065 0.000 1.249 287 P CA -0.504 62.627 63.100 0.051 0.000 0.806 287 P CB 1.321 33.054 31.700 0.056 0.000 0.984 288 V N 3.615 123.541 119.914 0.020 0.000 2.891 288 V HA 0.367 4.486 4.120 -0.000 0.000 0.304 288 V C -1.490 174.594 176.094 -0.016 0.000 1.171 288 V CA -0.960 61.340 62.300 0.000 0.000 0.943 288 V CB 1.963 33.748 31.823 -0.064 0.000 1.037 288 V HN 0.276 nan 8.190 nan 0.000 0.427 289 L N 6.334 127.549 121.223 -0.013 0.000 2.265 289 L HA 0.631 4.970 4.340 -0.000 0.000 0.288 289 L C -0.646 176.200 176.870 -0.040 0.000 1.058 289 L CA -0.672 54.158 54.840 -0.018 0.000 0.809 289 L CB 1.624 43.681 42.059 -0.003 0.000 1.179 289 L HN 0.471 nan 8.230 nan 0.000 0.429 290 V N 3.852 123.742 119.914 -0.040 0.000 2.378 290 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 290 V C 0.209 176.282 176.094 -0.035 0.000 1.016 290 V CA -0.696 61.575 62.300 -0.047 0.000 0.840 290 V CB 1.308 33.098 31.823 -0.055 0.000 0.994 290 V HN 0.879 nan 8.190 nan 0.000 0.431 291 N N 4.047 122.727 118.700 -0.034 0.000 2.727 291 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 291 N C 1.179 176.678 175.510 -0.019 0.000 1.048 291 N CA 1.344 54.378 53.050 -0.026 0.000 0.714 291 N CB -0.871 37.602 38.487 -0.024 0.000 0.959 291 N HN 1.529 nan 8.380 nan 0.000 0.544 292 G N -0.517 108.273 108.800 -0.018 0.000 2.168 292 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 292 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 292 G C -0.018 174.878 174.900 -0.007 0.000 0.997 292 G CA 0.773 45.867 45.100 -0.010 0.000 0.708 292 G HN 0.668 nan 8.290 nan 0.000 0.520 293 R N 0.542 121.036 120.500 -0.011 0.000 2.561 293 R HA 0.448 4.788 4.340 -0.000 0.000 0.297 293 R C -0.520 175.774 176.300 -0.011 0.000 0.969 293 R CA -0.660 55.435 56.100 -0.009 0.000 0.879 293 R CB 1.164 31.457 30.300 -0.011 0.000 1.178 293 R HN 0.360 nan 8.270 nan 0.000 0.445 294 E N 3.769 123.966 120.200 -0.005 0.000 2.324 294 E HA 0.221 4.571 4.350 -0.000 0.000 0.271 294 E C -0.630 175.962 176.600 -0.014 0.000 1.028 294 E CA -0.420 55.977 56.400 -0.005 0.000 0.890 294 E CB 0.825 30.529 29.700 0.007 0.000 1.004 294 E HN 0.420 nan 8.360 nan 0.000 0.431 295 V N 2.175 122.072 119.914 -0.028 0.000 2.962 295 V HA 0.712 4.832 4.120 -0.000 0.000 0.313 295 V C -2.665 173.393 176.094 -0.062 0.000 1.099 295 V CA -2.390 59.882 62.300 -0.047 0.000 0.971 295 V CB 1.680 33.466 31.823 -0.063 0.000 1.028 295 V HN 0.618 nan 8.190 nan 0.000 0.430 296 P HA 0.509 nan 4.420 nan 0.000 0.286 296 P C -0.455 176.734 177.300 -0.185 0.000 1.261 296 P CA -0.547 62.489 63.100 -0.107 0.000 0.821 296 P CB 1.675 33.314 31.700 -0.101 0.000 1.013 297 I N 2.189 122.664 120.570 -0.158 0.000 2.496 297 I HA 0.120 4.290 4.170 -0.000 0.000 0.285 297 I C 0.533 176.448 176.117 -0.337 0.000 1.080 297 I CA -0.363 60.819 61.300 -0.197 0.000 1.404 297 I CB 0.998 38.947 38.000 -0.085 0.000 1.403 297 I HN 0.150 nan 8.210 nan 0.000 0.539 298 V N 3.234 122.855 119.914 -0.488 0.000 2.483 298 V HA 0.993 5.113 4.120 -0.000 0.000 0.297 298 V C 0.061 175.921 176.094 -0.389 0.000 1.027 298 V CA -0.284 61.503 62.300 -0.855 0.000 0.855 298 V CB 0.682 31.413 31.823 -1.820 0.000 0.995 298 V HN 1.128 nan 8.190 nan 0.000 0.424 299 G N 3.181 111.914 108.800 -0.111 0.000 2.712 299 G HA2 0.029 3.989 3.960 -0.000 0.000 0.683 299 G HA3 0.029 3.989 3.960 -0.000 0.000 0.683 299 G C -0.567 174.368 174.900 0.058 0.000 1.320 299 G CA -0.289 44.855 45.100 0.073 0.000 0.847 299 G HN 1.532 nan 8.290 nan 0.000 0.553 300 R N -0.626 119.942 120.500 0.112 0.000 2.491 300 R HA 0.480 4.820 4.340 -0.000 0.000 0.283 300 R C 0.564 176.954 176.300 0.149 0.000 1.072 300 R CA -0.083 56.107 56.100 0.149 0.000 1.048 300 R CB 0.629 31.056 30.300 0.211 0.000 0.983 300 R HN 0.844 nan 8.270 nan 0.000 0.450 301 V N 5.335 125.357 119.914 0.181 0.000 2.479 301 V HA 0.310 4.429 4.120 -0.000 0.000 0.281 301 V C 0.778 177.048 176.094 0.293 0.000 1.031 301 V CA 0.436 62.856 62.300 0.201 0.000 1.038 301 V CB 0.398 32.399 31.823 0.297 0.000 0.981 301 V HN 0.975 nan 8.190 nan 0.000 0.478 302 A N 5.110 128.034 122.820 0.172 0.000 2.274 302 A HA 0.561 4.880 4.320 -0.000 0.000 0.297 302 A C 1.223 178.631 177.584 -0.293 0.000 1.191 302 A CA -0.393 51.743 52.037 0.166 0.000 0.889 302 A CB 0.547 19.636 19.000 0.149 0.000 1.294 302 A HN 0.859 nan 8.150 nan 0.000 0.506 303 M N -0.845 118.398 119.600 -0.594 0.000 2.159 303 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 303 M C 0.106 176.101 176.300 -0.509 0.000 1.063 303 M CA 2.235 56.867 55.300 -1.112 0.000 1.110 303 M CB -0.100 32.154 32.600 -0.577 0.000 1.374 303 M HN 0.740 nan 8.290 nan 0.000 0.411 304 D N -1.127 119.118 120.400 -0.259 0.000 2.500 304 D HA 0.243 4.883 4.640 -0.000 0.000 0.218 304 D C 0.136 176.357 176.300 -0.131 0.000 1.140 304 D CA 0.308 54.210 54.000 -0.163 0.000 0.830 304 D CB 0.800 41.533 40.800 -0.111 0.000 1.055 304 D HN 0.366 nan 8.370 nan 0.000 0.512 305 M N 0.624 120.151 119.600 -0.122 0.000 2.593 305 M HA 0.514 4.994 4.480 -0.000 0.000 0.290 305 M C -1.295 174.937 176.300 -0.115 0.000 1.244 305 M CA -0.622 54.608 55.300 -0.117 0.000 0.857 305 M CB 3.491 36.028 32.600 -0.105 0.000 1.738 305 M HN -0.309 nan 8.290 nan 0.000 0.461 306 I N 0.530 121.014 120.570 -0.144 0.000 2.607 306 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 306 I C -1.253 174.765 176.117 -0.164 0.000 1.129 306 I CA -0.647 60.559 61.300 -0.156 0.000 1.042 306 I CB 2.196 40.051 38.000 -0.242 0.000 1.242 306 I HN 0.673 nan 8.210 nan 0.000 0.421 307 C N 5.656 124.857 119.300 -0.165 0.000 2.358 307 C HA 0.768 5.228 4.460 -0.000 0.000 0.342 307 C C 0.209 175.056 174.990 -0.238 0.000 1.234 307 C CA -0.546 58.356 59.018 -0.193 0.000 1.969 307 C CB 1.087 28.706 27.740 -0.201 0.000 2.346 307 C HN 0.548 nan 8.230 nan 0.000 0.525 308 V N -0.118 119.656 119.914 -0.233 0.000 2.962 308 V HA 0.619 4.738 4.120 -0.000 0.000 0.313 308 V C -1.002 174.944 176.094 -0.248 0.000 1.099 308 V CA -0.467 61.687 62.300 -0.243 0.000 0.971 308 V CB 1.960 33.678 31.823 -0.174 0.000 1.028 308 V HN 0.730 nan 8.190 nan 0.000 0.430 309 D N 2.064 122.305 120.400 -0.266 0.000 2.347 309 D HA 0.468 5.108 4.640 -0.000 0.000 0.235 309 D C 0.658 176.901 176.300 -0.094 0.000 1.149 309 D CA -0.072 53.813 54.000 -0.191 0.000 0.850 309 D CB 1.458 42.135 40.800 -0.205 0.000 1.061 309 D HN 0.640 nan 8.370 nan 0.000 0.487 310 L N 2.560 123.749 121.223 -0.058 0.000 2.298 310 L HA 0.362 4.702 4.340 -0.000 0.000 0.209 310 L C 1.302 178.170 176.870 -0.004 0.000 1.084 310 L CA 0.324 55.144 54.840 -0.034 0.000 0.816 310 L CB -0.185 41.854 42.059 -0.033 0.000 0.967 310 L HN 0.604 nan 8.230 nan 0.000 0.460 311 G N -0.547 108.263 108.800 0.017 0.000 2.528 311 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.681 311 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.681 311 G C -2.452 172.470 174.900 0.038 0.000 1.340 311 G CA -0.419 44.701 45.100 0.034 0.000 0.855 311 G HN -0.172 nan 8.290 nan 0.000 0.649 312 P HA -0.156 nan 4.420 nan 0.000 0.217 312 P C 0.778 178.094 177.300 0.028 0.000 1.148 312 P CA 1.567 64.692 63.100 0.042 0.000 0.834 312 P CB 0.255 31.979 31.700 0.040 0.000 0.783 313 Q N -1.034 118.779 119.800 0.021 0.000 2.233 313 Q HA 0.473 4.813 4.340 -0.000 0.000 0.340 313 Q C -0.207 175.798 176.000 0.009 0.000 0.899 313 Q CA -0.374 55.437 55.803 0.013 0.000 1.139 313 Q CB 0.472 29.216 28.738 0.011 0.000 1.273 313 Q HN 0.136 nan 8.270 nan 0.000 0.431 314 A N 0.337 123.162 122.820 0.008 0.000 2.407 314 A HA 0.159 4.478 4.320 -0.000 0.000 0.248 314 A C 0.558 178.141 177.584 -0.002 0.000 1.082 314 A CA 0.062 52.099 52.037 0.001 0.000 0.785 314 A CB 0.490 19.489 19.000 -0.002 0.000 1.020 314 A HN 0.465 nan 8.150 nan 0.000 0.489 315 Q N 0.170 119.967 119.800 -0.006 0.000 2.217 315 Q HA 0.056 4.396 4.340 -0.000 0.000 0.217 315 Q C -0.653 175.340 176.000 -0.012 0.000 0.844 315 Q CA -0.211 55.588 55.803 -0.007 0.000 0.957 315 Q CB 0.407 29.142 28.738 -0.006 0.000 1.127 315 Q HN 0.786 nan 8.270 nan 0.000 0.503 316 D N 2.019 122.409 120.400 -0.016 0.000 2.382 316 D HA 0.116 4.756 4.640 -0.000 0.000 0.240 316 D C 0.057 176.343 176.300 -0.023 0.000 1.146 316 D CA 0.798 54.785 54.000 -0.022 0.000 0.897 316 D CB 0.947 41.729 40.800 -0.030 0.000 1.197 316 D HN -0.066 nan 8.370 nan 0.000 0.432 317 K N -0.022 120.363 120.400 -0.026 0.000 2.482 317 K HA 0.535 4.854 4.320 -0.000 0.000 0.257 317 K C -0.834 175.748 176.600 -0.031 0.000 0.969 317 K CA -0.998 55.274 56.287 -0.025 0.000 0.842 317 K CB 2.185 34.673 32.500 -0.020 0.000 1.359 317 K HN 0.440 nan 8.250 nan 0.000 0.441 318 A N 0.374 123.175 122.820 -0.031 0.000 2.584 318 A HA 0.337 4.656 4.320 -0.000 0.000 0.239 318 A C 1.190 178.753 177.584 -0.035 0.000 1.043 318 A CA 1.635 53.650 52.037 -0.036 0.000 0.756 318 A CB -0.917 18.064 19.000 -0.032 0.000 0.963 318 A HN 1.010 nan 8.150 nan 0.000 0.511 319 G N 2.011 110.787 108.800 -0.040 0.000 2.232 319 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.226 319 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.226 319 G C -0.044 174.832 174.900 -0.040 0.000 0.996 319 G CA 0.222 45.299 45.100 -0.038 0.000 0.626 319 G HN 0.830 nan 8.290 nan 0.000 0.509 320 D N 3.073 123.448 120.400 -0.041 0.000 2.414 320 D HA 0.410 5.049 4.640 -0.000 0.000 0.242 320 D C -1.707 174.564 176.300 -0.049 0.000 1.129 320 D CA -0.772 53.204 54.000 -0.040 0.000 0.885 320 D CB 1.032 41.809 40.800 -0.038 0.000 1.198 320 D HN 0.260 nan 8.370 nan 0.000 0.437 321 P HA 0.011 nan 4.420 nan 0.000 0.268 321 P C -0.673 176.590 177.300 -0.062 0.000 1.204 321 P CA -0.119 62.949 63.100 -0.054 0.000 0.768 321 P CB 0.742 32.416 31.700 -0.044 0.000 0.842 322 V N 5.144 125.011 119.914 -0.078 0.000 2.638 322 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 322 V C 0.254 176.289 176.094 -0.099 0.000 1.052 322 V CA -0.817 61.429 62.300 -0.089 0.000 0.885 322 V CB 2.416 34.172 31.823 -0.112 0.000 0.999 322 V HN 0.532 nan 8.190 nan 0.000 0.424 323 I N 5.424 125.946 120.570 -0.080 0.000 2.362 323 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 323 I C 0.164 176.238 176.117 -0.070 0.000 0.994 323 I CA -0.389 60.861 61.300 -0.083 0.000 1.158 323 I CB 1.857 39.834 38.000 -0.040 0.000 1.315 323 I HN 0.464 nan 8.210 nan 0.000 0.451 324 L N 7.207 128.349 121.223 -0.135 0.000 2.131 324 L HA 0.080 4.420 4.340 -0.000 0.000 0.206 324 L C -0.093 176.904 176.870 0.211 0.000 1.087 324 L CA 1.253 56.065 54.840 -0.047 0.000 0.767 324 L CB -1.158 40.773 42.059 -0.214 0.000 0.917 324 L HN 0.832 nan 8.230 nan 0.000 0.441 325 W N -2.757 118.580 121.300 0.062 0.000 3.499 325 W HA 0.538 5.198 4.660 -0.001 0.000 0.288 325 W C -0.276 176.263 176.519 0.032 0.000 1.258 325 W CA -0.452 56.925 57.345 0.052 0.000 1.203 325 W CB -0.006 29.492 29.460 0.064 0.000 1.325 325 W HN 0.092 nan 8.180 nan 0.000 0.564 326 G N 0.304 109.313 108.800 0.349 0.000 2.251 326 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.058 326 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.058 326 G C 0.485 175.469 174.900 0.140 0.000 0.922 326 G CA 0.276 45.515 45.100 0.231 0.000 1.133 326 G HN 0.877 nan 8.290 nan 0.000 0.410 327 E N 0.207 120.459 120.200 0.086 0.000 2.019 327 E HA -0.038 4.312 4.350 -0.000 0.000 0.208 327 E C 2.105 178.737 176.600 0.053 0.000 1.030 327 E CA 2.062 58.496 56.400 0.058 0.000 0.856 327 E CB -0.730 28.990 29.700 0.034 0.000 0.781 327 E HN 0.665 nan 8.360 nan 0.000 0.471 328 G N -0.156 108.672 108.800 0.047 0.000 3.383 328 G HA2 0.276 4.236 3.960 -0.000 0.000 0.251 328 G HA3 0.276 4.236 3.960 -0.000 0.000 0.251 328 G C -0.347 174.586 174.900 0.056 0.000 1.203 328 G CA -0.227 44.898 45.100 0.041 0.000 0.852 328 G HN 0.184 nan 8.290 nan 0.000 0.531 329 L N 0.201 121.475 121.223 0.084 0.000 2.564 329 L HA 0.423 4.762 4.340 -0.000 0.000 0.259 329 L C -2.696 174.259 176.870 0.143 0.000 1.101 329 L CA -1.685 53.220 54.840 0.108 0.000 0.900 329 L CB 1.998 44.133 42.059 0.127 0.000 1.110 329 L HN -0.217 nan 8.230 nan 0.000 0.468 330 P HA 0.002 nan 4.420 nan 0.000 0.265 330 P C 1.034 178.343 177.300 0.015 0.000 1.187 330 P CA 0.205 63.345 63.100 0.065 0.000 0.766 330 P CB 1.007 32.729 31.700 0.036 0.000 0.820 331 V N 2.923 122.773 119.914 -0.106 0.000 2.720 331 V HA -0.250 3.870 4.120 -0.000 0.000 0.256 331 V C 1.564 177.504 176.094 -0.257 0.000 1.082 331 V CA 2.067 64.121 62.300 -0.410 0.000 1.101 331 V CB -0.893 30.441 31.823 -0.816 0.000 0.693 331 V HN 0.506 nan 8.190 nan 0.000 0.479 332 E N -0.085 120.042 120.200 -0.122 0.000 2.204 332 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 332 E C 2.245 178.822 176.600 -0.038 0.000 0.989 332 E CA 1.058 57.418 56.400 -0.066 0.000 0.824 332 E CB -0.262 29.430 29.700 -0.014 0.000 0.756 332 E HN 0.480 nan 8.360 nan 0.000 0.477 333 R N 0.638 121.127 120.500 -0.018 0.000 2.073 333 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 333 R C 0.669 176.975 176.300 0.011 0.000 1.120 333 R CA 0.758 56.863 56.100 0.009 0.000 0.967 333 R CB -0.202 30.118 30.300 0.034 0.000 0.862 333 R HN 0.003 nan 8.270 nan 0.000 0.436 340 V N 1.398 121.289 119.914 -0.037 0.000 2.483 340 V HA 0.268 4.387 4.120 -0.000 0.000 0.295 340 V C 0.495 176.562 176.094 -0.045 0.000 1.035 340 V CA -0.626 61.646 62.300 -0.047 0.000 0.896 340 V CB 1.731 33.509 31.823 -0.076 0.000 0.986 340 V HN 0.269 nan 8.190 nan 0.000 0.447 341 S N 3.426 119.116 115.700 -0.017 0.000 2.549 341 S HA 0.219 4.689 4.470 -0.000 0.000 0.286 341 S C 1.471 176.080 174.600 0.016 0.000 1.314 341 S CA 0.112 58.331 58.200 0.031 0.000 1.062 341 S CB 1.022 64.260 63.200 0.062 0.000 0.865 341 S HN 1.042 nan 8.310 nan 0.000 0.498 342 A N 5.116 127.949 122.820 0.021 0.000 2.024 342 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 342 A C 1.598 179.156 177.584 -0.043 0.000 1.164 342 A CA 1.500 53.481 52.037 -0.092 0.000 0.643 342 A CB -0.894 18.045 19.000 -0.102 0.000 0.806 342 A HN 0.962 nan 8.150 nan 0.000 0.451 343 Y N -0.413 119.868 120.300 -0.033 0.000 2.181 343 Y HA -0.181 4.369 4.550 -0.001 0.000 0.288 343 Y C 2.504 178.363 175.900 -0.069 0.000 1.146 343 Y CA 1.858 59.954 58.100 -0.006 0.000 1.164 343 Y CB -0.228 38.232 38.460 -0.000 0.000 0.982 343 Y HN 0.531 nan 8.280 nan 0.000 0.515 344 E N 0.078 120.335 120.200 0.094 0.000 2.076 344 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 344 E C 2.099 178.686 176.600 -0.022 0.000 0.979 344 E CA 0.655 57.062 56.400 0.012 0.000 0.807 344 E CB -0.227 29.470 29.700 -0.005 0.000 0.761 344 E HN 0.407 nan 8.360 nan 0.000 0.454 345 L N 1.345 122.516 121.223 -0.088 0.000 1.990 345 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 345 L C 2.758 179.608 176.870 -0.034 0.000 1.072 345 L CA 1.747 56.488 54.840 -0.166 0.000 0.755 345 L CB -0.658 41.095 42.059 -0.511 0.000 0.889 345 L HN 0.409 nan 8.230 nan 0.000 0.432 346 I N -4.235 116.283 120.570 -0.087 0.000 2.761 346 I HA -0.122 4.047 4.170 -0.000 0.000 0.261 346 I C 2.018 178.161 176.117 0.044 0.000 1.198 346 I CA 1.245 62.579 61.300 0.057 0.000 1.482 346 I CB -0.487 37.522 38.000 0.014 0.000 1.100 346 I HN 0.088 nan 8.210 nan 0.000 0.445 347 T N 0.156 114.715 114.554 0.009 0.000 2.983 347 T HA 0.092 4.441 4.350 -0.000 0.000 0.250 347 T C 1.396 176.095 174.700 -0.002 0.000 1.037 347 T CA 0.235 62.320 62.100 -0.025 0.000 1.142 347 T CB -0.108 68.693 68.868 -0.113 0.000 0.876 347 T HN 0.219 nan 8.240 nan 0.000 0.455 348 R N 1.995 122.504 120.500 0.015 0.000 4.556 348 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 348 R C -0.937 175.395 176.300 0.055 0.000 1.791 348 R CA -0.027 56.087 56.100 0.024 0.000 1.526 348 R CB -0.878 29.432 30.300 0.015 0.000 1.410 348 R HN 0.368 nan 8.270 nan 0.000 0.826 349 L N 0.583 121.837 121.223 0.051 0.000 2.334 349 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 349 L C 0.889 177.781 176.870 0.037 0.000 1.020 349 L CA -0.886 53.987 54.840 0.056 0.000 0.812 349 L CB 1.968 44.054 42.059 0.044 0.000 1.264 349 L HN 0.270 nan 8.230 nan 0.000 0.439 350 T N -2.917 111.659 114.554 0.036 0.000 2.862 350 T HA 0.147 4.496 4.350 -0.000 0.000 0.276 350 T C 1.034 175.743 174.700 0.015 0.000 0.974 350 T CA -0.157 61.960 62.100 0.029 0.000 0.966 350 T CB 1.392 70.281 68.868 0.035 0.000 1.072 350 T HN 0.661 nan 8.240 nan 0.000 0.538 351 S N -0.685 115.024 115.700 0.015 0.000 2.603 351 S HA -0.031 4.438 4.470 -0.000 0.000 0.229 351 S C 1.758 176.359 174.600 0.003 0.000 0.972 351 S CA 0.032 58.238 58.200 0.011 0.000 0.935 351 S CB -0.577 62.631 63.200 0.014 0.000 0.769 351 S HN 0.777 nan 8.310 nan 0.000 0.536 352 R N 1.049 121.548 120.500 -0.002 0.000 2.153 352 R HA 0.123 4.463 4.340 -0.000 0.000 0.218 352 R C -0.207 176.079 176.300 -0.024 0.000 1.072 352 R CA 0.389 56.481 56.100 -0.012 0.000 0.990 352 R CB -0.100 30.191 30.300 -0.015 0.000 0.889 352 R HN 0.345 nan 8.270 nan 0.000 0.452 353 V N 2.628 122.526 119.914 -0.027 0.000 2.470 353 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 353 V C 0.614 176.682 176.094 -0.043 0.000 1.040 353 V CA -0.285 61.987 62.300 -0.046 0.000 1.008 353 V CB 0.773 32.563 31.823 -0.055 0.000 0.990 353 V HN 0.330 nan 8.190 nan 0.000 0.477 354 A N 7.616 130.405 122.820 -0.051 0.000 2.406 354 A HA 0.647 4.967 4.320 -0.000 0.000 0.243 354 A C 0.006 177.551 177.584 -0.065 0.000 1.082 354 A CA -0.235 51.777 52.037 -0.043 0.000 0.786 354 A CB 0.240 19.213 19.000 -0.044 0.000 1.029 354 A HN 0.721 nan 8.150 nan 0.000 0.495 355 M N 1.698 121.268 119.600 -0.049 0.000 2.085 355 M HA 0.353 4.832 4.480 -0.000 0.000 0.309 355 M C -0.492 175.717 176.300 -0.152 0.000 0.947 355 M CA -0.052 55.178 55.300 -0.118 0.000 0.918 355 M CB 1.102 33.695 32.600 -0.012 0.000 1.504 355 M HN 0.693 nan 8.290 nan 0.000 0.420 356 K N 1.903 122.144 120.400 -0.265 0.000 2.123 356 K HA 0.677 4.996 4.320 -0.000 0.000 0.248 356 K C -1.597 174.697 176.600 -0.510 0.000 0.969 356 K CA -0.435 55.722 56.287 -0.217 0.000 0.882 356 K CB 1.797 34.230 32.500 -0.111 0.000 1.080 356 K HN 0.438 nan 8.250 nan 0.000 0.441 357 Y N 0.406 120.724 120.300 0.031 0.000 2.373 357 Y HA 0.310 4.860 4.550 -0.000 0.000 0.336 357 Y C -0.543 175.378 175.900 0.036 0.000 0.979 357 Y CA -1.062 57.064 58.100 0.043 0.000 1.080 357 Y CB 1.845 40.331 38.460 0.045 0.000 1.190 357 Y HN 0.209 nan 8.280 nan 0.000 0.446 358 V N -0.160 119.842 119.914 0.147 0.000 2.769 358 V HA 0.785 4.905 4.120 -0.000 0.000 0.312 358 V C -0.680 175.475 176.094 0.102 0.000 1.061 358 V CA -0.902 61.457 62.300 0.098 0.000 0.931 358 V CB 1.797 33.652 31.823 0.053 0.000 1.010 358 V HN 0.855 nan 8.190 nan 0.000 0.433 359 D N 0.000 120.446 120.400 0.077 0.000 6.856 359 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 359 D CA 0.000 54.039 54.000 0.066 0.000 0.868 359 D CB 0.000 40.837 40.800 0.061 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683