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 1z28_1_A DATA FIRST_RESID 7 DATA SEQUENCE TSRPPLEYVK GVPLIKYFAE ALGPLQSFQA RPDDLLISTY PKSGTTWVSQ DATA SEQUENCE ILDMIYQGGD LEKCHRAPIF MRVPFLEFKA PGIPSGMETL KDTPAPRLLK DATA SEQUENCE THLPLALLPQ TLLDQKVKVV YVARNAKDVA VSYYHFYHMA KVHPEPGTWD DATA SEQUENCE SFLEKFMVGE VSYGSWYQHV QEWWELSRTH PVLYLFYEDM KENPKREIQK DATA SEQUENCE ILEFVGRSLP EETVDFVVQH TSFKEMKKNP MTNYTTVPQE FMDHSISPFM DATA SEQUENCE RKGMAGDWKT TFTVAQNERF DADYAEKMAG CSLSFRSEL 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.671 174.700 -0.048 0.000 1.109 7 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 7 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 8 S N 0.070 115.733 115.700 -0.063 0.000 2.503 8 S HA 0.673 5.140 4.470 -0.005 0.000 0.301 8 S C -0.068 174.475 174.600 -0.095 0.000 1.087 8 S CA -0.782 57.369 58.200 -0.082 0.000 1.042 8 S CB 1.351 64.509 63.200 -0.069 0.000 1.043 8 S HN 1.009 nan 8.310 nan 0.000 0.489 9 R N 0.558 120.985 120.500 -0.122 0.000 3.225 9 R HA -0.109 4.228 4.340 -0.005 0.000 0.245 9 R C -2.194 174.028 176.300 -0.130 0.000 0.928 9 R CA 0.581 56.600 56.100 -0.134 0.000 0.632 9 R CB -1.867 28.371 30.300 -0.103 0.000 1.038 9 R HN 0.658 nan 8.270 nan 0.000 0.461 10 P HA 0.135 nan 4.420 nan 0.000 0.272 10 P C -2.238 174.964 177.300 -0.164 0.000 1.230 10 P CA -1.078 61.921 63.100 -0.168 0.000 0.788 10 P CB 0.331 31.888 31.700 -0.239 0.000 0.949 11 P HA 0.170 nan 4.420 nan 0.000 0.274 11 P C 0.121 177.350 177.300 -0.118 0.000 1.231 11 P CA -0.083 62.967 63.100 -0.083 0.000 0.790 11 P CB 0.710 32.385 31.700 -0.042 0.000 0.951 12 L N 0.967 122.138 121.223 -0.087 0.000 2.476 12 L HA 0.178 4.515 4.340 -0.005 0.000 0.264 12 L C 1.151 177.965 176.870 -0.094 0.000 1.224 12 L CA 0.324 55.078 54.840 -0.142 0.000 0.821 12 L CB -0.109 41.861 42.059 -0.147 0.000 1.101 12 L HN 0.454 nan 8.230 nan 0.000 0.488 13 E N 0.257 120.368 120.200 -0.148 0.000 2.199 13 E HA 0.298 4.645 4.350 -0.005 0.000 0.265 13 E C -1.649 174.907 176.600 -0.074 0.000 0.882 13 E CA -0.739 55.632 56.400 -0.049 0.000 0.759 13 E CB 1.293 30.944 29.700 -0.081 0.000 1.148 13 E HN 0.274 nan 8.360 nan 0.000 0.412 14 Y N 1.990 122.277 120.300 -0.022 0.000 2.335 14 Y HA 0.295 4.843 4.550 -0.004 0.000 0.331 14 Y C -0.071 175.835 175.900 0.010 0.000 1.094 14 Y CA -0.272 57.830 58.100 0.003 0.000 1.253 14 Y CB 1.227 39.693 38.460 0.009 0.000 1.203 14 Y HN 0.179 nan 8.280 nan 0.000 0.508 15 V N 4.275 124.260 119.914 0.119 0.000 2.482 15 V HA 0.237 4.354 4.120 -0.005 0.000 0.295 15 V C -0.357 175.805 176.094 0.113 0.000 1.026 15 V CA -1.914 60.444 62.300 0.097 0.000 0.856 15 V CB 1.494 33.354 31.823 0.062 0.000 1.001 15 V HN 0.792 nan 8.190 nan 0.000 0.424 16 K N 3.690 124.155 120.400 0.109 0.000 3.077 16 K HA -0.247 4.070 4.320 -0.005 0.000 0.264 16 K C 1.128 177.804 176.600 0.127 0.000 1.008 16 K CA 0.706 57.053 56.287 0.100 0.000 0.740 16 K CB -1.384 31.166 32.500 0.084 0.000 1.273 16 K HN 1.624 nan 8.250 nan 0.000 0.477 17 G N -1.550 107.356 108.800 0.176 0.000 2.184 17 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.264 17 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.264 17 G C 0.144 175.196 174.900 0.252 0.000 0.975 17 G CA 0.190 45.425 45.100 0.224 0.000 0.642 17 G HN 0.283 nan 8.290 nan 0.000 0.536 18 V N 1.786 121.801 119.914 0.168 0.000 2.398 18 V HA 0.516 4.633 4.120 -0.005 0.000 0.286 18 V C -2.066 173.917 176.094 -0.186 0.000 1.026 18 V CA -1.833 60.512 62.300 0.075 0.000 0.868 18 V CB 1.969 33.874 31.823 0.136 0.000 0.982 18 V HN 0.078 nan 8.190 nan 0.000 0.443 19 P HA 0.439 nan 4.420 nan 0.000 0.282 19 P C -0.913 176.171 177.300 -0.360 0.000 1.274 19 P CA 0.008 62.630 63.100 -0.798 0.000 0.770 19 P CB 0.600 31.882 31.700 -0.696 0.000 0.867 20 L N 3.305 124.326 121.223 -0.336 0.000 2.333 20 L HA 0.518 4.855 4.340 -0.005 0.000 0.263 20 L C 0.368 177.040 176.870 -0.329 0.000 1.014 20 L CA -1.308 53.351 54.840 -0.301 0.000 0.820 20 L CB 1.833 43.782 42.059 -0.185 0.000 1.352 20 L HN 0.194 nan 8.230 nan 0.000 0.421 21 I N 1.810 122.109 120.570 -0.451 0.000 2.618 21 I HA -0.076 4.091 4.170 -0.005 0.000 0.284 21 I C 1.478 177.317 176.117 -0.464 0.000 1.146 21 I CA 0.334 61.289 61.300 -0.577 0.000 1.425 21 I CB 0.738 38.121 38.000 -1.029 0.000 1.383 21 I HN 0.720 nan 8.210 nan 0.000 0.562 22 K N 5.264 125.376 120.400 -0.479 0.000 2.049 22 K HA -0.286 4.031 4.320 -0.005 0.000 0.219 22 K C 1.675 178.056 176.600 -0.364 0.000 1.056 22 K CA 2.328 58.345 56.287 -0.450 0.000 0.946 22 K CB -0.163 31.967 32.500 -0.617 0.000 0.723 22 K HN 0.540 nan 8.250 nan 0.000 0.453 23 Y N -0.275 119.900 120.300 -0.209 0.000 2.165 23 Y HA -0.226 4.321 4.550 -0.004 0.000 0.286 23 Y C 2.247 178.173 175.900 0.044 0.000 1.155 23 Y CA 1.255 59.287 58.100 -0.115 0.000 1.164 23 Y CB -0.663 37.699 38.460 -0.163 0.000 0.978 23 Y HN 0.090 nan 8.280 nan 0.000 0.513 24 F N -0.547 119.341 119.950 -0.103 0.000 2.186 24 F HA -0.105 4.418 4.527 -0.006 0.000 0.299 24 F C 2.500 178.236 175.800 -0.108 0.000 1.090 24 F CA 0.456 58.368 58.000 -0.147 0.000 1.307 24 F CB -1.570 37.328 39.000 -0.170 0.000 1.019 24 F HN 0.045 nan 8.300 nan 0.000 0.489 25 A N -0.020 122.844 122.820 0.074 0.000 1.933 25 A HA -0.209 4.108 4.320 -0.005 0.000 0.218 25 A C 2.169 179.767 177.584 0.024 0.000 1.175 25 A CA 1.747 53.797 52.037 0.021 0.000 0.628 25 A CB -0.818 18.160 19.000 -0.037 0.000 0.814 25 A HN 0.401 nan 8.150 nan 0.000 0.444 26 E N -0.395 119.818 120.200 0.022 0.000 2.106 26 E HA -0.057 4.290 4.350 -0.005 0.000 0.192 26 E C 2.143 178.760 176.600 0.027 0.000 0.984 26 E CA 0.842 57.256 56.400 0.025 0.000 0.806 26 E CB -0.250 29.472 29.700 0.037 0.000 0.750 26 E HN 0.623 nan 8.360 nan 0.000 0.458 27 A N 0.780 123.616 122.820 0.025 0.000 2.121 27 A HA -0.107 4.210 4.320 -0.005 0.000 0.218 27 A C 2.000 179.583 177.584 -0.001 0.000 1.154 27 A CA 0.699 52.730 52.037 -0.010 0.000 0.679 27 A CB -0.443 18.510 19.000 -0.078 0.000 0.795 27 A HN 0.163 nan 8.150 nan 0.000 0.458 28 L N -1.037 120.198 121.223 0.020 0.000 2.275 28 L HA -0.085 4.252 4.340 -0.005 0.000 0.215 28 L C 2.691 179.585 176.870 0.040 0.000 1.119 28 L CA 0.748 55.608 54.840 0.034 0.000 0.790 28 L CB -0.753 41.335 42.059 0.049 0.000 0.919 28 L HN 0.493 nan 8.230 nan 0.000 0.443 29 G N 1.096 109.917 108.800 0.035 0.000 2.484 29 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.215 29 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.215 29 G C -0.664 174.263 174.900 0.045 0.000 1.219 29 G CA 0.608 45.731 45.100 0.038 0.000 0.791 29 G HN 0.284 nan 8.290 nan 0.000 0.550 30 P HA -0.066 nan 4.420 nan 0.000 0.215 30 P C 2.075 179.421 177.300 0.076 0.000 1.157 30 P CA 0.595 63.727 63.100 0.053 0.000 0.868 30 P CB -0.153 31.573 31.700 0.043 0.000 0.788 31 L N -0.696 120.567 121.223 0.065 0.000 2.270 31 L HA -0.268 4.069 4.340 -0.005 0.000 0.217 31 L C 2.167 179.125 176.870 0.146 0.000 1.107 31 L CA 1.515 56.410 54.840 0.091 0.000 0.772 31 L CB -0.669 41.409 42.059 0.031 0.000 0.902 31 L HN 0.139 nan 8.230 nan 0.000 0.439 32 Q N -1.481 118.384 119.800 0.107 0.000 2.437 32 Q HA -0.116 4.221 4.340 -0.005 0.000 0.210 32 Q C 1.890 177.954 176.000 0.108 0.000 0.972 32 Q CA 1.158 57.023 55.803 0.103 0.000 0.903 32 Q CB 0.076 28.857 28.738 0.071 0.000 0.967 32 Q HN 0.405 nan 8.270 nan 0.000 0.486 33 S N -0.081 115.692 115.700 0.122 0.000 2.511 33 S HA 0.071 4.538 4.470 -0.005 0.000 0.214 33 S C 0.167 174.841 174.600 0.124 0.000 0.997 33 S CA -0.536 57.724 58.200 0.099 0.000 0.908 33 S CB 0.086 63.334 63.200 0.080 0.000 0.803 33 S HN 0.352 nan 8.310 nan 0.000 0.504 34 F N 3.988 123.960 119.950 0.036 0.000 2.623 34 F HA 0.056 4.580 4.527 -0.005 0.000 0.383 34 F C 0.261 176.086 175.800 0.042 0.000 1.077 34 F CA 0.083 58.108 58.000 0.041 0.000 1.268 34 F CB 0.237 39.266 39.000 0.047 0.000 1.053 34 F HN 0.069 nan 8.300 nan 0.000 0.571 35 Q N 5.748 125.070 119.800 -0.796 0.000 2.341 35 Q HA 0.616 4.953 4.340 -0.005 0.000 0.268 35 Q C -0.544 174.865 176.000 -0.984 0.000 1.013 35 Q CA -1.032 54.386 55.803 -0.643 0.000 0.798 35 Q CB 1.710 30.268 28.738 -0.300 0.000 1.253 35 Q HN 0.830 nan 8.270 nan 0.000 0.457 36 A N 3.233 125.641 122.820 -0.686 0.000 2.340 36 A HA 0.520 4.837 4.320 -0.005 0.000 0.268 36 A C -0.267 177.226 177.584 -0.152 0.000 1.100 36 A CA -0.355 51.467 52.037 -0.359 0.000 0.803 36 A CB 0.562 19.557 19.000 -0.008 0.000 1.043 36 A HN 0.719 nan 8.150 nan 0.000 0.488 37 R N 1.721 122.191 120.500 -0.051 0.000 2.598 37 R HA 0.357 4.694 4.340 -0.005 0.000 0.279 37 R C -1.990 174.324 176.300 0.023 0.000 0.984 37 R CA -1.765 54.325 56.100 -0.016 0.000 0.999 37 R CB 0.916 31.219 30.300 0.004 0.000 1.114 37 R HN 0.415 nan 8.270 nan 0.000 0.493 38 P HA -0.186 nan 4.420 nan 0.000 0.217 38 P C 0.163 177.479 177.300 0.027 0.000 1.148 38 P CA 1.315 64.426 63.100 0.018 0.000 0.828 38 P CB 0.170 31.871 31.700 0.001 0.000 0.783 39 D N -2.395 118.024 120.400 0.032 0.000 2.358 39 D HA 0.018 4.655 4.640 -0.005 0.000 0.224 39 D C -0.021 176.333 176.300 0.090 0.000 1.123 39 D CA -0.048 53.977 54.000 0.041 0.000 0.833 39 D CB -0.615 40.197 40.800 0.022 0.000 0.946 39 D HN 0.049 nan 8.370 nan 0.000 0.505 40 D N 0.651 121.116 120.400 0.108 0.000 2.358 40 D HA 0.221 4.858 4.640 -0.005 0.000 0.244 40 D C -0.256 176.141 176.300 0.162 0.000 1.163 40 D CA -0.235 53.855 54.000 0.151 0.000 0.945 40 D CB 1.465 42.372 40.800 0.179 0.000 1.152 40 D HN 0.051 nan 8.370 nan 0.000 0.451 41 L N 2.525 123.847 121.223 0.165 0.000 2.439 41 L HA 0.366 4.703 4.340 -0.005 0.000 0.270 41 L C -1.660 175.289 176.870 0.132 0.000 0.972 41 L CA -0.763 54.173 54.840 0.161 0.000 0.836 41 L CB 1.328 43.474 42.059 0.145 0.000 1.255 41 L HN 0.217 nan 8.230 nan 0.000 0.404 42 L N 6.318 127.645 121.223 0.172 0.000 2.272 42 L HA 0.553 4.890 4.340 -0.005 0.000 0.289 42 L C -0.611 176.307 176.870 0.079 0.000 1.032 42 L CA -0.021 54.900 54.840 0.135 0.000 0.810 42 L CB 1.131 43.312 42.059 0.203 0.000 1.205 42 L HN 0.525 nan 8.230 nan 0.000 0.422 43 I N 4.407 124.967 120.570 -0.015 0.000 2.312 43 I HA 0.289 4.456 4.170 -0.005 0.000 0.291 43 I C 0.133 176.140 176.117 -0.184 0.000 1.031 43 I CA -0.014 61.227 61.300 -0.099 0.000 1.293 43 I CB 1.219 39.140 38.000 -0.131 0.000 1.403 43 I HN 0.650 nan 8.210 nan 0.000 0.484 44 S N 5.034 120.571 115.700 -0.272 0.000 2.500 44 S HA 0.830 5.297 4.470 -0.005 0.000 0.301 44 S C -0.471 173.712 174.600 -0.696 0.000 1.092 44 S CA -0.328 57.595 58.200 -0.463 0.000 1.030 44 S CB 1.302 64.057 63.200 -0.742 0.000 1.031 44 S HN 0.758 nan 8.310 nan 0.000 0.483 45 T N 1.820 116.042 114.554 -0.553 0.000 2.830 45 T HA 0.425 4.772 4.350 -0.005 0.000 0.322 45 T C -1.433 173.014 174.700 -0.422 0.000 1.501 45 T CA -0.676 61.051 62.100 -0.621 0.000 1.036 45 T CB 0.635 69.272 68.868 -0.384 0.000 1.379 45 T HN 0.595 nan 8.240 nan 0.000 0.493 46 Y N 2.374 122.254 120.300 -0.699 0.000 2.299 46 Y HA 0.524 5.071 4.550 -0.005 0.000 0.326 46 Y C -2.508 173.058 175.900 -0.557 0.000 1.164 46 Y CA -1.888 55.728 58.100 -0.807 0.000 1.234 46 Y CB 0.954 39.109 38.460 -0.508 0.000 1.219 46 Y HN 0.497 nan 8.280 nan 0.000 0.497 47 P HA -0.113 nan 4.420 nan 0.000 0.264 47 P C -0.881 176.037 177.300 -0.636 0.000 1.173 47 P CA 0.885 63.308 63.100 -1.128 0.000 0.761 47 P CB 0.311 31.255 31.700 -1.260 0.000 0.794 48 K N -0.262 119.827 120.400 -0.519 0.000 3.230 48 K HA -0.131 4.186 4.320 -0.005 0.000 0.285 48 K C 0.370 176.867 176.600 -0.172 0.000 1.196 48 K CA 0.820 56.898 56.287 -0.348 0.000 0.838 48 K CB -2.962 29.340 32.500 -0.330 0.000 1.262 48 K HN 0.417 nan 8.250 nan 0.000 0.492 49 S N -0.899 114.745 115.700 -0.093 0.000 2.539 49 S HA 0.350 4.817 4.470 -0.005 0.000 0.221 49 S C 1.123 175.826 174.600 0.173 0.000 0.987 49 S CA 0.324 58.531 58.200 0.012 0.000 0.929 49 S CB 1.156 64.368 63.200 0.020 0.000 0.832 49 S HN 0.773 nan 8.310 nan 0.000 0.492 50 G N 1.276 110.188 108.800 0.186 0.000 2.157 50 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.114 50 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.114 50 G C 0.536 175.555 174.900 0.198 0.000 1.041 50 G CA 0.153 45.477 45.100 0.373 0.000 0.714 50 G HN 0.325 nan 8.290 nan 0.000 0.492 51 T N 0.732 115.347 114.554 0.103 0.000 2.622 51 T HA -0.155 4.192 4.350 -0.005 0.000 0.266 51 T C 2.582 177.345 174.700 0.106 0.000 1.047 51 T CA 2.399 64.519 62.100 0.034 0.000 1.159 51 T CB -0.530 68.349 68.868 0.019 0.000 0.863 51 T HN 0.399 nan 8.240 nan 0.000 0.422 52 T N 0.834 115.525 114.554 0.228 0.000 2.684 52 T HA -0.153 4.194 4.350 -0.005 0.000 0.267 52 T C 1.488 176.366 174.700 0.297 0.000 1.036 52 T CA 1.327 63.595 62.100 0.280 0.000 1.148 52 T CB -0.457 68.698 68.868 0.477 0.000 0.863 52 T HN 0.436 nan 8.240 nan 0.000 0.436 53 W N 1.630 123.001 121.300 0.118 0.000 2.332 53 W HA -0.121 4.537 4.660 -0.003 0.000 0.321 53 W C 2.366 178.898 176.519 0.022 0.000 1.219 53 W CA 0.338 57.728 57.345 0.075 0.000 1.277 53 W CB -1.169 28.339 29.460 0.081 0.000 1.161 53 W HN 0.085 nan 8.180 nan 0.000 0.476 54 V N 0.614 120.588 119.914 0.098 0.000 2.809 54 V HA -0.195 3.922 4.120 -0.005 0.000 0.256 54 V C 2.352 178.429 176.094 -0.029 0.000 1.080 54 V CA 2.296 64.543 62.300 -0.087 0.000 1.102 54 V CB -0.583 31.141 31.823 -0.164 0.000 0.705 54 V HN 0.137 nan 8.190 nan 0.000 0.475 55 S N -0.383 115.324 115.700 0.012 0.000 2.368 55 S HA -0.212 4.255 4.470 -0.005 0.000 0.224 55 S C 1.836 176.427 174.600 -0.015 0.000 1.029 55 S CA 1.664 59.847 58.200 -0.029 0.000 0.988 55 S CB -0.222 62.963 63.200 -0.026 0.000 0.838 55 S HN 0.687 nan 8.310 nan 0.000 0.462 56 Q N 1.344 121.175 119.800 0.052 0.000 2.119 56 Q HA 0.065 4.402 4.340 -0.005 0.000 0.201 56 Q C 1.829 177.867 176.000 0.062 0.000 0.972 56 Q CA 1.346 57.181 55.803 0.054 0.000 0.847 56 Q CB -0.446 28.354 28.738 0.103 0.000 0.903 56 Q HN 0.548 nan 8.270 nan 0.000 0.433 57 I N -0.227 120.392 120.570 0.081 0.000 2.127 57 I HA -0.317 3.850 4.170 -0.005 0.000 0.241 57 I C 2.080 178.220 176.117 0.039 0.000 1.075 57 I CA 1.181 62.519 61.300 0.062 0.000 1.334 57 I CB -0.297 37.707 38.000 0.006 0.000 1.040 57 I HN 0.246 nan 8.210 nan 0.000 0.405 58 L N 0.156 121.372 121.223 -0.012 0.000 2.046 58 L HA -0.266 4.071 4.340 -0.005 0.000 0.208 58 L C 2.220 179.042 176.870 -0.081 0.000 1.077 58 L CA 1.604 56.410 54.840 -0.057 0.000 0.747 58 L CB -0.597 41.361 42.059 -0.168 0.000 0.896 58 L HN 0.294 nan 8.230 nan 0.000 0.432 59 D N -0.334 120.017 120.400 -0.081 0.000 2.144 59 D HA -0.192 4.445 4.640 -0.005 0.000 0.200 59 D C 2.342 178.686 176.300 0.072 0.000 0.978 59 D CA 1.217 55.195 54.000 -0.038 0.000 0.833 59 D CB 0.095 40.863 40.800 -0.053 0.000 0.961 59 D HN 0.149 nan 8.370 nan 0.000 0.470 60 M N -0.348 119.297 119.600 0.074 0.000 2.086 60 M HA -0.105 4.372 4.480 -0.005 0.000 0.261 60 M C 2.207 178.592 176.300 0.142 0.000 1.067 60 M CA 1.049 56.412 55.300 0.106 0.000 1.116 60 M CB -0.200 32.464 32.600 0.108 0.000 1.348 60 M HN 0.135 nan 8.290 nan 0.000 0.407 61 I N -1.066 119.601 120.570 0.162 0.000 2.208 61 I HA -0.327 3.841 4.170 -0.005 0.000 0.245 61 I C 2.178 178.436 176.117 0.236 0.000 1.097 61 I CA 1.462 62.876 61.300 0.190 0.000 1.363 61 I CB -0.523 37.606 38.000 0.215 0.000 1.051 61 I HN 0.210 nan 8.210 nan 0.000 0.413 62 Y N 0.901 121.220 120.300 0.031 0.000 2.352 62 Y HA -0.164 4.382 4.550 -0.005 0.000 0.292 62 Y C 2.216 178.126 175.900 0.016 0.000 1.136 62 Y CA 0.881 58.994 58.100 0.021 0.000 1.227 62 Y CB -0.273 38.198 38.460 0.018 0.000 0.991 62 Y HN 0.256 nan 8.280 nan 0.000 0.545 63 Q N -0.471 119.430 119.800 0.168 0.000 2.222 63 Q HA 0.242 4.579 4.340 -0.005 0.000 0.206 63 Q C 1.511 177.548 176.000 0.062 0.000 0.877 63 Q CA 0.540 56.398 55.803 0.091 0.000 0.958 63 Q CB -0.064 28.721 28.738 0.079 0.000 1.075 63 Q HN 0.514 nan 8.270 nan 0.000 0.483 64 G N 0.827 109.665 108.800 0.063 0.000 2.225 64 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.267 64 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.267 64 G C 0.855 175.787 174.900 0.053 0.000 1.024 64 G CA 0.635 45.760 45.100 0.041 0.000 0.784 64 G HN 0.780 nan 8.290 nan 0.000 0.507 65 G N -0.995 107.864 108.800 0.099 0.000 2.159 65 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.256 65 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.256 65 G C 0.203 175.187 174.900 0.140 0.000 0.977 65 G CA 0.902 46.098 45.100 0.160 0.000 0.652 65 G HN 1.304 nan 8.290 nan 0.000 0.531 66 D N 0.760 121.200 120.400 0.067 0.000 2.359 66 D HA 0.267 4.904 4.640 -0.005 0.000 0.250 66 D C 1.774 178.115 176.300 0.068 0.000 1.264 66 D CA -0.344 53.677 54.000 0.035 0.000 0.911 66 D CB 0.271 41.075 40.800 0.008 0.000 1.056 66 D HN 0.209 nan 8.370 nan 0.000 0.499 67 L N 3.319 124.601 121.223 0.099 0.000 2.042 67 L HA -0.173 4.165 4.340 -0.005 0.000 0.210 67 L C 2.290 179.188 176.870 0.047 0.000 1.076 67 L CA 1.221 56.094 54.840 0.055 0.000 0.749 67 L CB -0.137 41.927 42.059 0.009 0.000 0.893 67 L HN 0.562 nan 8.230 nan 0.000 0.432 68 E N 0.214 120.430 120.200 0.026 0.000 2.097 68 E HA -0.285 4.062 4.350 -0.005 0.000 0.196 68 E C 2.111 178.737 176.600 0.042 0.000 1.000 68 E CA 1.527 57.938 56.400 0.017 0.000 0.804 68 E CB 0.116 29.809 29.700 -0.012 0.000 0.740 68 E HN 0.418 nan 8.360 nan 0.000 0.454 69 K N -0.351 120.067 120.400 0.030 0.000 2.097 69 K HA -0.089 4.228 4.320 -0.005 0.000 0.205 69 K C 2.147 178.762 176.600 0.026 0.000 1.050 69 K CA 1.202 57.505 56.287 0.026 0.000 0.938 69 K CB -0.063 32.450 32.500 0.023 0.000 0.718 69 K HN 0.251 nan 8.250 nan 0.000 0.442 70 C N 0.295 119.615 119.300 0.034 0.000 2.491 70 C HA -0.025 4.432 4.460 -0.005 0.000 0.277 70 C C 2.035 177.015 174.990 -0.016 0.000 1.455 70 C CA 0.170 59.191 59.018 0.006 0.000 1.758 70 C CB -1.240 26.509 27.740 0.013 0.000 1.745 70 C HN 0.434 nan 8.230 nan 0.000 0.558 71 H N 1.133 120.167 119.070 -0.060 0.000 2.551 71 H HA 0.062 4.615 4.556 -0.006 0.000 0.271 71 H C 2.228 177.505 175.328 -0.085 0.000 0.984 71 H CA 0.208 56.211 56.048 -0.075 0.000 1.164 71 H CB 0.048 29.776 29.762 -0.056 0.000 1.437 71 H HN 0.597 nan 8.280 nan 0.000 0.550 72 R N 0.396 120.903 120.500 0.012 0.000 2.211 72 R HA 0.053 4.390 4.340 -0.005 0.000 0.240 72 R C 0.311 176.560 176.300 -0.086 0.000 1.144 72 R CA 1.061 57.151 56.100 -0.018 0.000 0.992 72 R CB 0.185 30.470 30.300 -0.026 0.000 0.869 72 R HN 0.150 nan 8.270 nan 0.000 0.462 73 A N -0.200 122.513 122.820 -0.178 0.000 2.522 73 A HA 0.462 4.779 4.320 -0.005 0.000 0.291 73 A C -2.968 174.365 177.584 -0.417 0.000 1.039 73 A CA -1.575 50.300 52.037 -0.269 0.000 0.643 73 A CB 0.910 19.767 19.000 -0.237 0.000 1.310 73 A HN -0.016 nan 8.150 nan 0.000 0.436 74 P HA 0.243 nan 4.420 nan 0.000 0.269 74 P C 1.016 177.821 177.300 -0.825 0.000 1.215 74 P CA -0.279 62.318 63.100 -0.839 0.000 0.780 74 P CB 0.445 31.321 31.700 -1.373 0.000 0.898 75 I N 2.571 122.752 120.570 -0.649 0.000 2.248 75 I HA -0.253 3.914 4.170 -0.005 0.000 0.248 75 I C 1.580 177.484 176.117 -0.355 0.000 1.107 75 I CA 1.620 62.677 61.300 -0.406 0.000 1.373 75 I CB -0.878 36.966 38.000 -0.260 0.000 1.055 75 I HN 0.358 nan 8.210 nan 0.000 0.418 76 F N -2.061 117.699 119.950 -0.317 0.000 2.699 76 F HA 0.026 4.549 4.527 -0.007 0.000 0.298 76 F C 1.908 177.599 175.800 -0.180 0.000 1.154 76 F CA 0.537 58.402 58.000 -0.225 0.000 1.457 76 F CB -1.000 37.861 39.000 -0.232 0.000 1.106 76 F HN 0.058 nan 8.300 nan 0.000 0.585 77 M N 0.616 119.904 119.600 -0.519 0.000 2.556 77 M HA 0.184 4.661 4.480 -0.005 0.000 0.264 77 M C 2.126 178.310 176.300 -0.194 0.000 1.163 77 M CA 1.210 56.321 55.300 -0.315 0.000 1.186 77 M CB -0.269 32.061 32.600 -0.450 0.000 1.321 77 M HN -0.037 nan 8.290 nan 0.000 0.485 78 R N -1.087 119.274 120.500 -0.231 0.000 2.148 78 R HA 0.109 4.446 4.340 -0.005 0.000 0.223 78 R C -0.163 176.078 176.300 -0.099 0.000 1.088 78 R CA 0.678 56.691 56.100 -0.145 0.000 0.985 78 R CB 0.110 30.316 30.300 -0.157 0.000 0.880 78 R HN 0.103 nan 8.270 nan 0.000 0.451 79 V N 2.748 122.601 119.914 -0.103 0.000 2.320 79 V HA 0.235 4.352 4.120 -0.005 0.000 0.268 79 V C -2.425 173.655 176.094 -0.023 0.000 1.021 79 V CA -2.116 60.142 62.300 -0.070 0.000 0.813 79 V CB 1.179 32.946 31.823 -0.095 0.000 1.054 79 V HN -0.048 nan 8.190 nan 0.000 0.444 80 P HA -0.062 nan 4.420 nan 0.000 0.261 80 P C -0.434 176.936 177.300 0.115 0.000 1.173 80 P CA 0.150 63.286 63.100 0.059 0.000 0.760 80 P CB 0.189 31.920 31.700 0.052 0.000 0.783 81 F N 5.677 125.595 119.950 -0.053 0.000 2.423 81 F HA 0.114 4.638 4.527 -0.005 0.000 0.356 81 F C 1.028 176.790 175.800 -0.063 0.000 1.170 81 F CA -1.146 56.813 58.000 -0.068 0.000 1.163 81 F CB -0.733 38.229 39.000 -0.063 0.000 1.318 81 F HN 0.160 nan 8.300 nan 0.000 0.569 82 L N 4.398 125.699 121.223 0.130 0.000 2.040 82 L HA -0.275 4.062 4.340 -0.005 0.000 0.228 82 L C 2.438 179.164 176.870 -0.239 0.000 1.092 82 L CA 2.511 57.276 54.840 -0.125 0.000 0.805 82 L CB -0.524 41.446 42.059 -0.149 0.000 0.905 82 L HN 0.685 nan 8.230 nan 0.000 0.443 83 E N -1.183 118.799 120.200 -0.363 0.000 2.465 83 E HA -0.096 4.251 4.350 -0.005 0.000 0.191 83 E C 0.656 176.747 176.600 -0.848 0.000 1.053 83 E CA -0.496 55.636 56.400 -0.447 0.000 0.869 83 E CB -0.699 28.850 29.700 -0.252 0.000 0.977 83 E HN 0.371 nan 8.360 nan 0.000 0.483 84 F N 2.736 121.944 119.950 -1.236 0.000 2.563 84 F HA 0.262 4.787 4.527 -0.003 0.000 0.363 84 F C 0.143 175.685 175.800 -0.430 0.000 1.123 84 F CA 0.280 57.558 58.000 -1.204 0.000 1.307 84 F CB 0.610 39.133 39.000 -0.795 0.000 1.115 84 F HN -0.157 nan 8.300 nan 0.000 0.592 85 K N 3.685 123.333 120.400 -1.255 0.000 2.578 85 K HA 0.773 5.090 4.320 -0.005 0.000 0.269 85 K C -2.098 174.075 176.600 -0.712 0.000 0.941 85 K CA -0.238 55.648 56.287 -0.668 0.000 0.847 85 K CB 1.684 34.068 32.500 -0.193 0.000 1.397 85 K HN 0.920 nan 8.250 nan 0.000 0.422 86 A N 3.145 125.713 122.820 -0.419 0.000 2.594 86 A HA 0.598 4.915 4.320 -0.005 0.000 0.296 86 A C -2.959 174.520 177.584 -0.175 0.000 1.056 86 A CA -1.260 50.556 52.037 -0.368 0.000 0.693 86 A CB 1.134 20.129 19.000 -0.008 0.000 1.278 86 A HN 0.469 nan 8.150 nan 0.000 0.408 87 P HA 0.342 nan 4.420 nan 0.000 0.263 87 P C 1.168 178.469 177.300 0.003 0.000 1.195 87 P CA 2.180 65.232 63.100 -0.079 0.000 0.762 87 P CB 0.690 32.335 31.700 -0.091 0.000 0.799 88 G N 2.667 111.477 108.800 0.018 0.000 2.212 88 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.266 88 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.266 88 G C 0.141 175.071 174.900 0.049 0.000 0.978 88 G CA -0.145 44.977 45.100 0.036 0.000 0.632 88 G HN 0.501 nan 8.290 nan 0.000 0.537 89 I N 2.715 123.323 120.570 0.064 0.000 2.493 89 I HA 0.373 4.540 4.170 -0.005 0.000 0.298 89 I C -1.817 174.364 176.117 0.106 0.000 0.998 89 I CA -2.581 58.775 61.300 0.093 0.000 1.137 89 I CB 1.996 40.084 38.000 0.148 0.000 1.310 89 I HN -0.112 nan 8.210 nan 0.000 0.445 90 P HA 0.042 nan 4.420 nan 0.000 0.268 90 P C -0.244 177.147 177.300 0.152 0.000 1.204 90 P CA -0.174 62.987 63.100 0.101 0.000 0.768 90 P CB 0.682 32.432 31.700 0.084 0.000 0.842 91 S N 1.570 117.334 115.700 0.106 0.000 2.576 91 S HA 0.135 4.602 4.470 -0.005 0.000 0.272 91 S C 1.894 176.583 174.600 0.148 0.000 1.352 91 S CA 0.070 58.334 58.200 0.106 0.000 1.021 91 S CB -0.005 63.209 63.200 0.023 0.000 0.887 91 S HN 0.608 nan 8.310 nan 0.000 0.542 92 G N 0.804 109.705 108.800 0.169 0.000 2.450 92 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.220 92 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.220 92 G C 1.256 176.186 174.900 0.050 0.000 1.130 92 G CA 0.735 45.906 45.100 0.119 0.000 0.760 92 G HN 0.664 nan 8.290 nan 0.000 0.557 93 M N -0.013 119.596 119.600 0.016 0.000 2.213 93 M HA -0.021 4.456 4.480 -0.005 0.000 0.263 93 M C 2.321 178.673 176.300 0.087 0.000 1.062 93 M CA 1.318 56.636 55.300 0.030 0.000 1.105 93 M CB -0.260 32.355 32.600 0.025 0.000 1.385 93 M HN 0.339 nan 8.290 nan 0.000 0.417 94 E N -1.036 119.211 120.200 0.077 0.000 2.051 94 E HA -0.113 4.234 4.350 -0.005 0.000 0.189 94 E C 1.671 178.318 176.600 0.078 0.000 0.979 94 E CA 1.597 58.044 56.400 0.078 0.000 0.803 94 E CB 0.095 29.837 29.700 0.070 0.000 0.761 94 E HN 0.390 nan 8.360 nan 0.000 0.451 95 T N 1.184 115.786 114.554 0.080 0.000 2.822 95 T HA -0.144 4.203 4.350 -0.005 0.000 0.270 95 T C 1.599 176.341 174.700 0.070 0.000 1.064 95 T CA 0.767 62.908 62.100 0.069 0.000 1.131 95 T CB -0.096 68.815 68.868 0.071 0.000 0.858 95 T HN 0.122 nan 8.240 nan 0.000 0.483 96 L N 0.971 122.248 121.223 0.090 0.000 2.552 96 L HA 0.016 4.353 4.340 -0.005 0.000 0.227 96 L C 2.533 179.477 176.870 0.123 0.000 1.146 96 L CA 0.729 55.642 54.840 0.121 0.000 0.858 96 L CB -0.290 41.875 42.059 0.177 0.000 0.969 96 L HN 0.416 nan 8.230 nan 0.000 0.451 97 K N -1.150 119.310 120.400 0.099 0.000 2.167 97 K HA -0.087 4.230 4.320 -0.005 0.000 0.203 97 K C 0.450 177.086 176.600 0.061 0.000 1.052 97 K CA 1.118 57.454 56.287 0.081 0.000 0.956 97 K CB 0.061 32.603 32.500 0.069 0.000 0.735 97 K HN 0.161 nan 8.250 nan 0.000 0.451 98 D N 1.394 121.826 120.400 0.054 0.000 2.424 98 D HA 0.063 4.700 4.640 -0.005 0.000 0.220 98 D C -0.544 175.779 176.300 0.038 0.000 1.150 98 D CA 0.130 54.154 54.000 0.040 0.000 0.831 98 D CB 0.957 41.776 40.800 0.031 0.000 0.981 98 D HN 0.092 nan 8.370 nan 0.000 0.500 99 T N 3.842 118.427 114.554 0.051 0.000 2.728 99 T HA 0.275 4.622 4.350 -0.005 0.000 0.296 99 T C -2.108 172.626 174.700 0.056 0.000 0.940 99 T CA -1.182 60.948 62.100 0.050 0.000 1.013 99 T CB 1.852 70.758 68.868 0.063 0.000 0.912 99 T HN 0.032 nan 8.240 nan 0.000 0.484 100 P HA 0.377 nan 4.420 nan 0.000 0.271 100 P C -0.770 176.569 177.300 0.066 0.000 1.218 100 P CA -0.542 62.586 63.100 0.047 0.000 0.780 100 P CB 0.691 32.413 31.700 0.037 0.000 0.901 101 A N 4.132 126.986 122.820 0.058 0.000 2.302 101 A HA 0.572 4.889 4.320 -0.005 0.000 0.285 101 A C -1.797 175.821 177.584 0.057 0.000 1.105 101 A CA -1.266 50.813 52.037 0.069 0.000 0.816 101 A CB -0.828 18.201 19.000 0.048 0.000 1.067 101 A HN 0.510 nan 8.150 nan 0.000 0.489 102 P HA 0.309 nan 4.420 nan 0.000 0.276 102 P C -0.877 176.572 177.300 0.248 0.000 1.230 102 P CA -0.113 63.068 63.100 0.134 0.000 0.776 102 P CB 0.680 32.425 31.700 0.076 0.000 0.888 103 R N 2.112 122.732 120.500 0.199 0.000 2.428 103 R HA 0.577 4.914 4.340 -0.005 0.000 0.294 103 R C -0.118 176.250 176.300 0.114 0.000 1.000 103 R CA -0.904 55.291 56.100 0.157 0.000 0.960 103 R CB 0.980 31.360 30.300 0.134 0.000 1.076 103 R HN 0.468 nan 8.270 nan 0.000 0.475 104 L N 4.325 125.549 121.223 0.001 0.000 2.296 104 L HA 0.504 4.841 4.340 -0.005 0.000 0.286 104 L C -0.590 176.263 176.870 -0.029 0.000 1.023 104 L CA -0.597 54.182 54.840 -0.101 0.000 0.812 104 L CB 1.043 42.936 42.059 -0.276 0.000 1.223 104 L HN 0.364 nan 8.230 nan 0.000 0.421 105 L N 3.636 124.859 121.223 -0.002 0.000 2.354 105 L HA 0.632 4.969 4.340 -0.005 0.000 0.269 105 L C -0.496 176.357 176.870 -0.028 0.000 1.005 105 L CA -0.791 54.055 54.840 0.010 0.000 0.819 105 L CB 2.307 44.398 42.059 0.054 0.000 1.311 105 L HN 0.511 nan 8.230 nan 0.000 0.423 106 K N 0.922 121.300 120.400 -0.037 0.000 2.316 106 K HA 0.761 5.078 4.320 -0.005 0.000 0.251 106 K C -1.295 175.274 176.600 -0.052 0.000 0.934 106 K CA -0.209 56.006 56.287 -0.119 0.000 0.802 106 K CB 2.491 34.851 32.500 -0.233 0.000 1.171 106 K HN 0.663 nan 8.250 nan 0.000 0.426 107 T N 0.890 115.335 114.554 -0.182 0.000 2.802 107 T HA 0.345 4.692 4.350 -0.005 0.000 0.311 107 T C -0.872 173.643 174.700 -0.308 0.000 1.405 107 T CA -0.520 61.539 62.100 -0.068 0.000 1.016 107 T CB 1.049 69.956 68.868 0.065 0.000 1.352 107 T HN 0.765 nan 8.240 nan 0.000 0.498 108 H N 1.486 120.544 119.070 -0.019 0.000 3.233 108 H HA 0.377 4.929 4.556 -0.006 0.000 0.263 108 H C 0.333 175.665 175.328 0.008 0.000 1.168 108 H CA -0.082 55.754 56.048 -0.355 0.000 1.159 108 H CB 0.365 29.410 29.762 -1.194 0.000 1.593 108 H HN 0.349 nan 8.280 nan 0.000 0.580 109 L N 3.430 124.874 121.223 0.369 0.000 2.578 109 L HA 0.033 4.370 4.340 -0.005 0.000 0.279 109 L C -1.966 175.242 176.870 0.564 0.000 1.227 109 L CA -1.244 53.905 54.840 0.515 0.000 0.900 109 L CB 0.015 42.310 42.059 0.394 0.000 1.144 109 L HN -0.155 nan 8.230 nan 0.000 0.496 110 P HA 0.027 nan 4.420 nan 0.000 0.272 110 P C 0.898 178.355 177.300 0.262 0.000 1.230 110 P CA -0.323 63.002 63.100 0.375 0.000 0.788 110 P CB 0.609 32.503 31.700 0.323 0.000 0.949 111 L N 1.186 122.436 121.223 0.046 0.000 2.189 111 L HA -0.269 4.068 4.340 -0.005 0.000 0.214 111 L C 2.134 178.975 176.870 -0.048 0.000 1.097 111 L CA 1.786 56.524 54.840 -0.170 0.000 0.764 111 L CB -0.770 41.025 42.059 -0.440 0.000 0.900 111 L HN 0.457 nan 8.230 nan 0.000 0.436 112 A N -0.484 122.348 122.820 0.019 0.000 2.067 112 A HA -0.065 4.252 4.320 -0.005 0.000 0.219 112 A C 1.996 179.622 177.584 0.071 0.000 1.158 112 A CA 1.115 53.175 52.037 0.039 0.000 0.661 112 A CB -0.248 18.788 19.000 0.060 0.000 0.801 112 A HN 0.467 nan 8.150 nan 0.000 0.452 113 L N -1.240 120.052 121.223 0.115 0.000 2.766 113 L HA 0.287 4.624 4.340 -0.005 0.000 0.242 113 L C 0.219 177.169 176.870 0.132 0.000 1.136 113 L CA -0.463 54.454 54.840 0.128 0.000 0.933 113 L CB 0.070 42.230 42.059 0.169 0.000 1.241 113 L HN 0.245 nan 8.230 nan 0.000 0.522 114 L N 2.511 123.813 121.223 0.132 0.000 2.455 114 L HA 0.220 4.557 4.340 -0.005 0.000 0.272 114 L C -1.981 174.955 176.870 0.110 0.000 1.174 114 L CA -1.127 53.798 54.840 0.142 0.000 0.869 114 L CB 0.061 42.202 42.059 0.138 0.000 1.130 114 L HN -0.187 nan 8.230 nan 0.000 0.474 115 P HA -0.008 nan 4.420 nan 0.000 0.260 115 P C -0.011 177.371 177.300 0.136 0.000 1.185 115 P CA 0.066 63.264 63.100 0.162 0.000 0.763 115 P CB 0.685 32.547 31.700 0.271 0.000 0.776 116 Q N 3.347 123.202 119.800 0.093 0.000 2.173 116 Q HA -0.234 4.103 4.340 -0.005 0.000 0.208 116 Q C 1.973 178.017 176.000 0.073 0.000 0.989 116 Q CA 2.518 58.357 55.803 0.060 0.000 0.872 116 Q CB -1.228 27.536 28.738 0.043 0.000 0.909 116 Q HN 0.461 nan 8.270 nan 0.000 0.420 117 T N -0.736 113.874 114.554 0.093 0.000 2.778 117 T HA -0.168 4.179 4.350 -0.005 0.000 0.269 117 T C 1.562 176.325 174.700 0.105 0.000 1.050 117 T CA 1.543 63.686 62.100 0.072 0.000 1.137 117 T CB -0.207 68.677 68.868 0.026 0.000 0.860 117 T HN 0.372 nan 8.240 nan 0.000 0.468 118 L N -0.028 121.295 121.223 0.167 0.000 2.141 118 L HA 0.063 4.400 4.340 -0.005 0.000 0.209 118 L C 2.526 179.496 176.870 0.166 0.000 1.094 118 L CA 0.906 55.865 54.840 0.198 0.000 0.763 118 L CB -0.327 41.876 42.059 0.241 0.000 0.908 118 L HN 0.310 nan 8.230 nan 0.000 0.437 119 L N -0.995 120.278 121.223 0.084 0.000 2.095 119 L HA -0.106 4.231 4.340 -0.005 0.000 0.204 119 L C 2.096 179.068 176.870 0.170 0.000 1.080 119 L CA 0.687 55.569 54.840 0.071 0.000 0.759 119 L CB -0.594 41.429 42.059 -0.059 0.000 0.914 119 L HN 0.222 nan 8.230 nan 0.000 0.439 120 D N -0.090 120.370 120.400 0.100 0.000 2.144 120 D HA -0.164 4.473 4.640 -0.005 0.000 0.199 120 D C 2.122 178.469 176.300 0.077 0.000 0.984 120 D CA 1.007 55.053 54.000 0.076 0.000 0.834 120 D CB -0.100 40.727 40.800 0.045 0.000 0.955 120 D HN 0.253 nan 8.370 nan 0.000 0.465 121 Q N 0.355 120.208 119.800 0.089 0.000 2.482 121 Q HA -0.008 4.329 4.340 -0.005 0.000 0.209 121 Q C 0.151 176.201 176.000 0.083 0.000 0.961 121 Q CA 0.236 56.080 55.803 0.068 0.000 0.945 121 Q CB 0.295 29.066 28.738 0.056 0.000 1.012 121 Q HN 0.148 nan 8.270 nan 0.000 0.515 122 K N -0.177 120.307 120.400 0.140 0.000 3.096 122 K HA -0.136 4.181 4.320 -0.005 0.000 0.266 122 K C -0.611 176.012 176.600 0.039 0.000 1.043 122 K CA 0.225 56.536 56.287 0.041 0.000 0.758 122 K CB -2.582 29.879 32.500 -0.064 0.000 1.260 122 K HN 0.082 nan 8.250 nan 0.000 0.481 123 V N 1.417 121.468 119.914 0.229 0.000 2.540 123 V HA -0.049 4.068 4.120 -0.005 0.000 0.297 123 V C 1.332 177.597 176.094 0.285 0.000 1.024 123 V CA 0.197 62.633 62.300 0.226 0.000 1.105 123 V CB 0.424 32.403 31.823 0.260 0.000 0.938 123 V HN 0.158 nan 8.190 nan 0.000 0.482 124 K N 3.597 124.096 120.400 0.164 0.000 2.451 124 K HA 0.259 4.577 4.320 -0.005 0.000 0.280 124 K C -0.572 176.270 176.600 0.403 0.000 1.020 124 K CA -0.074 56.340 56.287 0.211 0.000 1.008 124 K CB 0.654 33.126 32.500 -0.047 0.000 0.917 124 K HN 0.481 nan 8.250 nan 0.000 0.478 125 V N 3.808 124.055 119.914 0.554 0.000 2.495 125 V HA 0.220 4.337 4.120 -0.005 0.000 0.298 125 V C -0.328 175.957 176.094 0.319 0.000 1.031 125 V CA -0.946 61.620 62.300 0.443 0.000 0.871 125 V CB 1.897 34.017 31.823 0.495 0.000 0.988 125 V HN 0.417 nan 8.190 nan 0.000 0.432 126 V N 5.425 125.447 119.914 0.181 0.000 2.313 126 V HA 0.343 4.460 4.120 -0.005 0.000 0.278 126 V C -0.845 175.212 176.094 -0.063 0.000 1.017 126 V CA -0.600 61.700 62.300 -0.000 0.000 0.823 126 V CB 0.952 32.778 31.823 0.005 0.000 1.010 126 V HN 0.771 nan 8.190 nan 0.000 0.443 127 Y N 4.955 125.117 120.300 -0.231 0.000 2.342 127 Y HA 0.683 5.231 4.550 -0.004 0.000 0.334 127 Y C -0.286 175.326 175.900 -0.481 0.000 1.067 127 Y CA -0.458 57.415 58.100 -0.378 0.000 1.128 127 Y CB 1.730 39.939 38.460 -0.419 0.000 1.200 127 Y HN 0.382 nan 8.280 nan 0.000 0.464 128 V N 5.621 124.977 119.914 -0.929 0.000 2.487 128 V HA 0.822 4.939 4.120 -0.005 0.000 0.298 128 V C -0.420 175.292 176.094 -0.637 0.000 1.028 128 V CA -0.726 61.212 62.300 -0.603 0.000 0.860 128 V CB 1.109 32.729 31.823 -0.339 0.000 0.991 128 V HN 0.933 nan 8.190 nan 0.000 0.427 129 A N 4.867 127.504 122.820 -0.305 0.000 2.356 129 A HA 0.984 5.301 4.320 -0.005 0.000 0.323 129 A C -0.447 177.401 177.584 0.439 0.000 1.119 129 A CA -0.824 51.295 52.037 0.137 0.000 0.790 129 A CB 1.785 21.018 19.000 0.389 0.000 1.273 129 A HN 0.841 nan 8.150 nan 0.000 0.452 130 R N 0.465 121.336 120.500 0.618 0.000 2.771 130 R HA 0.354 4.691 4.340 -0.005 0.000 0.274 130 R C -0.712 175.880 176.300 0.487 0.000 0.987 130 R CA -0.607 55.804 56.100 0.518 0.000 0.908 130 R CB 1.193 31.583 30.300 0.151 0.000 1.213 130 R HN 1.005 nan 8.270 nan 0.000 0.468 131 N N 2.048 120.938 118.700 0.317 0.000 2.407 131 N HA -0.018 4.719 4.740 -0.005 0.000 0.250 131 N C 0.750 175.968 175.510 -0.487 0.000 1.236 131 N CA 0.682 53.680 53.050 -0.086 0.000 0.879 131 N CB 1.261 39.713 38.487 -0.057 0.000 1.088 131 N HN 0.669 nan 8.380 nan 0.000 0.450 132 A N 2.578 124.771 122.820 -1.045 0.000 1.940 132 A HA -0.229 4.088 4.320 -0.005 0.000 0.219 132 A C 1.897 178.976 177.584 -0.841 0.000 1.176 132 A CA 1.422 52.636 52.037 -1.372 0.000 0.631 132 A CB -0.595 17.532 19.000 -1.456 0.000 0.814 132 A HN 0.842 nan 8.150 nan 0.000 0.446 133 K N -0.548 119.295 120.400 -0.929 0.000 2.025 133 K HA -0.114 4.203 4.320 -0.005 0.000 0.207 133 K C 1.433 177.766 176.600 -0.445 0.000 1.049 133 K CA 1.345 57.015 56.287 -1.029 0.000 0.933 133 K CB -0.231 31.005 32.500 -2.107 0.000 0.714 133 K HN 0.375 nan 8.250 nan 0.000 0.438 134 D N 0.603 120.791 120.400 -0.354 0.000 2.178 134 D HA -0.094 4.544 4.640 -0.005 0.000 0.202 134 D C 1.993 178.207 176.300 -0.143 0.000 0.974 134 D CA 0.758 54.688 54.000 -0.116 0.000 0.841 134 D CB 0.007 40.748 40.800 -0.098 0.000 0.953 134 D HN -0.079 nan 8.370 nan 0.000 0.478 135 V N 1.607 121.391 119.914 -0.217 0.000 2.261 135 V HA -0.243 3.874 4.120 -0.005 0.000 0.246 135 V C 2.599 178.692 176.094 -0.001 0.000 1.047 135 V CA 1.822 64.064 62.300 -0.097 0.000 1.015 135 V CB -0.779 31.008 31.823 -0.060 0.000 0.642 135 V HN 0.159 nan 8.190 nan 0.000 0.446 136 A N -0.125 122.515 122.820 -0.300 0.000 1.873 136 A HA -0.207 4.111 4.320 -0.005 0.000 0.218 136 A C 2.390 180.164 177.584 0.317 0.000 1.193 136 A CA 2.441 54.293 52.037 -0.307 0.000 0.629 136 A CB -0.870 17.656 19.000 -0.790 0.000 0.826 136 A HN 0.338 nan 8.150 nan 0.000 0.447 137 V N -0.456 119.585 119.914 0.211 0.000 2.343 137 V HA -0.213 3.904 4.120 -0.005 0.000 0.247 137 V C 2.805 179.058 176.094 0.264 0.000 1.051 137 V CA 2.338 64.707 62.300 0.116 0.000 1.036 137 V CB -0.844 30.967 31.823 -0.021 0.000 0.654 137 V HN 0.674 nan 8.190 nan 0.000 0.451 138 S N -1.343 114.462 115.700 0.174 0.000 2.382 138 S HA -0.217 4.250 4.470 -0.005 0.000 0.228 138 S C 2.053 176.824 174.600 0.285 0.000 1.027 138 S CA 1.438 59.723 58.200 0.141 0.000 0.991 138 S CB -0.388 62.791 63.200 -0.034 0.000 0.823 138 S HN 0.613 nan 8.310 nan 0.000 0.469 139 Y N 0.767 121.197 120.300 0.217 0.000 2.242 139 Y HA -0.039 4.508 4.550 -0.005 0.000 0.291 139 Y C 2.087 178.044 175.900 0.095 0.000 1.137 139 Y CA 0.824 59.117 58.100 0.322 0.000 1.181 139 Y CB -1.302 37.486 38.460 0.546 0.000 0.989 139 Y HN 0.482 nan 8.280 nan 0.000 0.527 140 Y N 0.257 120.503 120.300 -0.089 0.000 2.128 140 Y HA -0.298 4.250 4.550 -0.004 0.000 0.284 140 Y C 2.465 178.169 175.900 -0.326 0.000 1.154 140 Y CA 2.546 60.185 58.100 -0.768 0.000 1.149 140 Y CB -0.825 37.426 38.460 -0.348 0.000 0.976 140 Y HN 0.221 nan 8.280 nan 0.000 0.505 141 H N -2.072 116.987 119.070 -0.018 0.000 2.423 141 H HA -0.106 4.447 4.556 -0.005 0.000 0.297 141 H C 1.831 177.194 175.328 0.058 0.000 1.075 141 H CA 1.694 57.731 56.048 -0.018 0.000 1.342 141 H CB -0.523 29.252 29.762 0.022 0.000 1.395 141 H HN 0.394 nan 8.280 nan 0.000 0.530 142 F N 0.052 120.048 119.950 0.077 0.000 2.146 142 F HA -0.225 4.298 4.527 -0.007 0.000 0.298 142 F C 1.731 177.512 175.800 -0.031 0.000 1.096 142 F CA 1.041 59.081 58.000 0.067 0.000 1.275 142 F CB -0.644 38.451 39.000 0.157 0.000 1.008 142 F HN 0.085 nan 8.300 nan 0.000 0.480 143 Y N 0.089 120.151 120.300 -0.396 0.000 2.207 143 Y HA -0.275 4.271 4.550 -0.005 0.000 0.287 143 Y C 2.705 178.305 175.900 -0.500 0.000 1.156 143 Y CA 2.296 60.000 58.100 -0.660 0.000 1.182 143 Y CB -0.985 37.033 38.460 -0.737 0.000 0.979 143 Y HN 0.218 nan 8.280 nan 0.000 0.521 144 H N -1.461 117.438 119.070 -0.284 0.000 2.326 144 H HA -0.176 4.377 4.556 -0.005 0.000 0.301 144 H C 2.091 177.311 175.328 -0.179 0.000 1.081 144 H CA 2.089 57.986 56.048 -0.251 0.000 1.334 144 H CB -0.146 29.439 29.762 -0.295 0.000 1.385 144 H HN 0.432 nan 8.280 nan 0.000 0.504 145 M N -0.643 118.934 119.600 -0.038 0.000 2.388 145 M HA 0.249 4.726 4.480 -0.005 0.000 0.265 145 M C 1.089 177.298 176.300 -0.151 0.000 1.088 145 M CA 1.032 56.288 55.300 -0.073 0.000 1.134 145 M CB 0.331 32.906 32.600 -0.042 0.000 1.384 145 M HN 0.011 nan 8.290 nan 0.000 0.447 146 A N 1.672 124.318 122.820 -0.290 0.000 2.650 146 A HA 0.379 4.696 4.320 -0.005 0.000 0.320 146 A C 0.742 178.237 177.584 -0.148 0.000 1.466 146 A CA -0.660 51.216 52.037 -0.268 0.000 1.099 146 A CB -0.146 18.498 19.000 -0.593 0.000 1.136 146 A HN 0.278 nan 8.150 nan 0.000 0.532 147 K N 1.432 121.749 120.400 -0.138 0.000 2.362 147 K HA -0.131 4.186 4.320 -0.005 0.000 0.202 147 K C 1.697 178.173 176.600 -0.205 0.000 1.045 147 K CA 1.170 57.365 56.287 -0.153 0.000 0.936 147 K CB -0.525 31.894 32.500 -0.135 0.000 0.747 147 K HN 0.568 nan 8.250 nan 0.000 0.467 148 V N 1.266 121.027 119.914 -0.256 0.000 2.720 148 V HA -0.197 3.920 4.120 -0.005 0.000 0.256 148 V C 0.444 176.263 176.094 -0.459 0.000 1.082 148 V CA 1.169 63.265 62.300 -0.341 0.000 1.101 148 V CB -0.387 31.215 31.823 -0.369 0.000 0.693 148 V HN 0.312 nan 8.190 nan 0.000 0.479 149 H N 1.179 119.986 119.070 -0.439 0.000 2.547 149 H HA 0.367 4.920 4.556 -0.006 0.000 0.362 149 H C -2.160 172.896 175.328 -0.453 0.000 1.181 149 H CA -1.610 54.065 56.048 -0.622 0.000 1.376 149 H CB 0.224 29.249 29.762 -1.227 0.000 1.488 149 H HN 0.240 nan 8.280 nan 0.000 0.583 150 P HA 0.008 nan 4.420 nan 0.000 0.274 150 P C -0.336 176.968 177.300 0.007 0.000 1.256 150 P CA -0.462 62.595 63.100 -0.072 0.000 0.795 150 P CB 0.715 32.421 31.700 0.010 0.000 1.038 151 E N 1.858 122.065 120.200 0.012 0.000 2.585 151 E HA -0.037 4.310 4.350 -0.005 0.000 0.252 151 E C -1.194 175.461 176.600 0.093 0.000 0.981 151 E CA -0.851 55.554 56.400 0.009 0.000 0.943 151 E CB -0.048 29.655 29.700 0.005 0.000 0.923 151 E HN 0.290 nan 8.360 nan 0.000 0.486 152 P HA 0.025 nan 4.420 nan 0.000 0.225 152 P C 0.518 177.889 177.300 0.119 0.000 1.156 152 P CA 1.058 64.174 63.100 0.028 0.000 0.787 152 P CB 0.202 31.602 31.700 -0.500 0.000 0.802 153 G N 0.390 109.230 108.800 0.067 0.000 2.645 153 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.239 153 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.239 153 G C -0.048 174.993 174.900 0.235 0.000 1.331 153 G CA -0.033 45.143 45.100 0.126 0.000 0.890 153 G HN 0.543 nan 8.290 nan 0.000 0.572 154 T N -1.484 113.178 114.554 0.180 0.000 2.813 154 T HA 0.295 4.642 4.350 -0.005 0.000 0.297 154 T C 1.385 176.169 174.700 0.139 0.000 1.036 154 T CA 0.773 62.987 62.100 0.191 0.000 1.044 154 T CB 1.148 70.065 68.868 0.082 0.000 0.993 154 T HN 1.321 nan 8.240 nan 0.000 0.535 155 W N 1.603 122.748 121.300 -0.258 0.000 2.338 155 W HA -0.211 4.447 4.660 -0.004 0.000 0.304 155 W C 1.394 177.698 176.519 -0.359 0.000 1.212 155 W CA 1.830 58.706 57.345 -0.781 0.000 1.264 155 W CB -0.465 28.481 29.460 -0.857 0.000 1.142 155 W HN 0.922 nan 8.180 nan 0.000 0.512 156 D N 0.116 120.208 120.400 -0.513 0.000 2.117 156 D HA -0.223 4.414 4.640 -0.005 0.000 0.197 156 D C 2.436 178.488 176.300 -0.414 0.000 0.987 156 D CA 2.298 55.961 54.000 -0.562 0.000 0.829 156 D CB -0.322 40.330 40.800 -0.247 0.000 0.961 156 D HN 0.036 nan 8.370 nan 0.000 0.460 157 S N -1.499 114.071 115.700 -0.216 0.000 2.368 157 S HA -0.156 4.311 4.470 -0.005 0.000 0.224 157 S C 1.795 176.318 174.600 -0.127 0.000 1.029 157 S CA 0.796 58.924 58.200 -0.120 0.000 0.988 157 S CB -0.660 62.529 63.200 -0.019 0.000 0.838 157 S HN 0.402 nan 8.310 nan 0.000 0.462 158 F N 1.954 121.747 119.950 -0.262 0.000 2.102 158 F HA -0.033 4.491 4.527 -0.004 0.000 0.298 158 F C 1.881 177.485 175.800 -0.326 0.000 1.105 158 F CA 1.501 59.362 58.000 -0.231 0.000 1.239 158 F CB -0.649 38.313 39.000 -0.062 0.000 0.991 158 F HN 0.296 nan 8.300 nan 0.000 0.474 159 L N 0.684 121.521 121.223 -0.644 0.000 2.079 159 L HA -0.206 4.131 4.340 -0.005 0.000 0.210 159 L C 2.178 178.875 176.870 -0.288 0.000 1.081 159 L CA 2.060 56.479 54.840 -0.701 0.000 0.752 159 L CB -1.032 40.299 42.059 -1.213 0.000 0.896 159 L HN 0.171 nan 8.230 nan 0.000 0.433 160 E N -0.145 119.887 120.200 -0.280 0.000 2.072 160 E HA -0.195 4.152 4.350 -0.005 0.000 0.191 160 E C 2.178 178.708 176.600 -0.117 0.000 0.985 160 E CA 1.457 57.767 56.400 -0.150 0.000 0.801 160 E CB -0.067 29.548 29.700 -0.141 0.000 0.750 160 E HN 0.468 nan 8.360 nan 0.000 0.452 161 K N -0.829 119.463 120.400 -0.181 0.000 2.155 161 K HA -0.099 4.218 4.320 -0.005 0.000 0.203 161 K C 2.042 178.542 176.600 -0.168 0.000 1.052 161 K CA 0.947 57.132 56.287 -0.170 0.000 0.948 161 K CB -0.241 32.129 32.500 -0.217 0.000 0.728 161 K HN 0.161 nan 8.250 nan 0.000 0.448 162 F N 1.733 121.444 119.950 -0.399 0.000 2.146 162 F HA -0.134 4.390 4.527 -0.005 0.000 0.298 162 F C 2.045 177.886 175.800 0.068 0.000 1.096 162 F CA 1.383 59.246 58.000 -0.228 0.000 1.275 162 F CB -0.078 38.743 39.000 -0.297 0.000 1.008 162 F HN -0.106 nan 8.300 nan 0.000 0.480 163 M N 0.111 119.840 119.600 0.215 0.000 2.279 163 M HA -0.104 4.373 4.480 -0.005 0.000 0.264 163 M C 1.631 177.906 176.300 -0.043 0.000 1.062 163 M CA 1.543 56.932 55.300 0.148 0.000 1.099 163 M CB -0.340 32.292 32.600 0.053 0.000 1.394 163 M HN 0.203 nan 8.290 nan 0.000 0.426 164 V N -3.348 116.538 119.914 -0.047 0.000 3.514 164 V HA 0.469 4.586 4.120 -0.005 0.000 0.301 164 V C 1.058 177.150 176.094 -0.003 0.000 1.346 164 V CA 0.296 62.565 62.300 -0.050 0.000 1.156 164 V CB -0.991 30.808 31.823 -0.040 0.000 1.029 164 V HN 0.638 nan 8.190 nan 0.000 0.428 165 G N 0.916 109.710 108.800 -0.009 0.000 2.179 165 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.257 165 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.257 165 G C 0.177 175.126 174.900 0.082 0.000 1.010 165 G CA 0.654 45.784 45.100 0.050 0.000 0.736 165 G HN 0.684 nan 8.290 nan 0.000 0.513 166 E N -0.093 120.129 120.200 0.037 0.000 2.354 166 E HA 0.390 4.738 4.350 -0.005 0.000 0.260 166 E C 0.809 177.432 176.600 0.037 0.000 1.405 166 E CA 0.170 56.614 56.400 0.073 0.000 1.728 166 E CB 0.261 30.003 29.700 0.070 0.000 1.471 166 E HN 0.701 nan 8.360 nan 0.000 0.441 167 V N -3.441 116.511 119.914 0.064 0.000 3.155 167 V HA 0.457 4.574 4.120 -0.005 0.000 0.313 167 V C 0.220 176.453 176.094 0.232 0.000 1.162 167 V CA -1.313 61.056 62.300 0.115 0.000 1.048 167 V CB 1.736 33.542 31.823 -0.028 0.000 1.092 167 V HN 0.029 nan 8.190 nan 0.000 0.447 168 S N 0.930 116.846 115.700 0.361 0.000 2.546 168 S HA 0.303 4.770 4.470 -0.005 0.000 0.290 168 S C -0.067 174.784 174.600 0.417 0.000 1.262 168 S CA 0.902 59.272 58.200 0.284 0.000 1.083 168 S CB -1.305 62.131 63.200 0.393 0.000 0.859 168 S HN 1.317 nan 8.310 nan 0.000 0.495 169 Y N 1.578 122.009 120.300 0.218 0.000 4.928 169 Y HA -0.187 4.359 4.550 -0.005 0.000 0.272 169 Y C 1.026 177.105 175.900 0.298 0.000 0.889 169 Y CA 1.505 59.744 58.100 0.232 0.000 1.783 169 Y CB -1.778 36.767 38.460 0.142 0.000 1.218 169 Y HN 1.469 nan 8.280 nan 0.000 0.500 170 G N 0.086 109.111 108.800 0.376 0.000 2.593 170 G HA2 -0.150 3.807 3.960 -0.005 0.000 0.237 170 G HA3 -0.150 3.807 3.960 -0.005 0.000 0.237 170 G C -0.036 175.131 174.900 0.445 0.000 1.312 170 G CA -0.153 45.157 45.100 0.351 0.000 0.896 170 G HN 1.141 nan 8.290 nan 0.000 0.574 171 S N -0.301 115.596 115.700 0.329 0.000 2.516 171 S HA 0.255 4.722 4.470 -0.005 0.000 0.282 171 S C 1.018 175.693 174.600 0.125 0.000 1.286 171 S CA 0.981 59.323 58.200 0.236 0.000 1.066 171 S CB 0.194 63.529 63.200 0.225 0.000 0.884 171 S HN 1.173 nan 8.310 nan 0.000 0.491 172 W N 6.252 127.213 121.300 -0.564 0.000 2.379 172 W HA -0.135 4.522 4.660 -0.006 0.000 0.307 172 W C 1.020 177.244 176.519 -0.492 0.000 1.200 172 W CA 1.398 58.046 57.345 -1.163 0.000 1.297 172 W CB -0.559 28.109 29.460 -1.319 0.000 1.140 172 W HN 0.970 nan 8.180 nan 0.000 0.507 173 Y N 0.800 121.093 120.300 -0.012 0.000 2.114 173 Y HA -0.337 4.210 4.550 -0.004 0.000 0.282 173 Y C 2.781 178.569 175.900 -0.186 0.000 1.165 173 Y CA 2.219 60.236 58.100 -0.139 0.000 1.148 173 Y CB -1.584 36.879 38.460 0.006 0.000 0.972 173 Y HN 0.168 nan 8.280 nan 0.000 0.504 174 Q N -0.888 118.984 119.800 0.119 0.000 2.079 174 Q HA -0.237 4.100 4.340 -0.005 0.000 0.200 174 Q C 2.284 178.353 176.000 0.115 0.000 0.974 174 Q CA 1.398 57.264 55.803 0.104 0.000 0.840 174 Q CB -0.298 28.526 28.738 0.142 0.000 0.898 174 Q HN 0.585 nan 8.270 nan 0.000 0.430 175 H N 0.236 119.342 119.070 0.059 0.000 2.267 175 H HA -0.141 4.412 4.556 -0.005 0.000 0.297 175 H C 2.166 177.608 175.328 0.189 0.000 1.080 175 H CA 2.299 58.478 56.048 0.218 0.000 1.278 175 H CB -0.239 29.690 29.762 0.279 0.000 1.365 175 H HN 0.316 nan 8.280 nan 0.000 0.489 176 V N -0.402 119.540 119.914 0.047 0.000 2.490 176 V HA -0.210 3.907 4.120 -0.005 0.000 0.250 176 V C 2.184 178.387 176.094 0.182 0.000 1.061 176 V CA 1.844 64.210 62.300 0.110 0.000 1.064 176 V CB -0.641 31.017 31.823 -0.274 0.000 0.670 176 V HN 0.332 nan 8.190 nan 0.000 0.461 177 Q N 0.922 120.759 119.800 0.063 0.000 2.049 177 Q HA -0.163 4.174 4.340 -0.005 0.000 0.198 177 Q C 2.420 178.511 176.000 0.151 0.000 0.971 177 Q CA 1.858 57.726 55.803 0.109 0.000 0.833 177 Q CB -0.197 28.569 28.738 0.047 0.000 0.896 177 Q HN 0.965 nan 8.270 nan 0.000 0.434 178 E N -0.282 119.967 120.200 0.081 0.000 2.106 178 E HA -0.202 4.145 4.350 -0.005 0.000 0.192 178 E C 1.480 178.014 176.600 -0.110 0.000 0.984 178 E CA 0.977 57.355 56.400 -0.036 0.000 0.806 178 E CB -0.445 29.182 29.700 -0.122 0.000 0.750 178 E HN 0.372 nan 8.360 nan 0.000 0.458 179 W N 0.783 121.994 121.300 -0.148 0.000 2.519 179 W HA 0.030 4.687 4.660 -0.004 0.000 0.266 179 W C 2.060 178.549 176.519 -0.050 0.000 1.253 179 W CA 0.364 57.552 57.345 -0.260 0.000 1.274 179 W CB -0.341 28.629 29.460 -0.817 0.000 1.114 179 W HN 0.262 nan 8.180 nan 0.000 0.596 180 W N 1.379 122.730 121.300 0.085 0.000 2.418 180 W HA -0.144 4.513 4.660 -0.005 0.000 0.292 180 W C 1.607 178.075 176.519 -0.084 0.000 1.213 180 W CA 1.701 59.001 57.345 -0.076 0.000 1.283 180 W CB -0.468 28.844 29.460 -0.247 0.000 1.119 180 W HN -0.008 nan 8.180 nan 0.000 0.542 181 E N 0.654 120.853 120.200 -0.003 0.000 2.208 181 E HA -0.218 4.129 4.350 -0.005 0.000 0.193 181 E C 2.271 178.776 176.600 -0.158 0.000 0.988 181 E CA 0.811 57.141 56.400 -0.117 0.000 0.828 181 E CB -0.272 29.413 29.700 -0.025 0.000 0.763 181 E HN 0.202 nan 8.360 nan 0.000 0.478 182 L N 0.835 121.968 121.223 -0.150 0.000 2.141 182 L HA -0.102 4.235 4.340 -0.005 0.000 0.209 182 L C 2.041 178.869 176.870 -0.070 0.000 1.094 182 L CA 1.798 56.544 54.840 -0.155 0.000 0.763 182 L CB -0.380 41.507 42.059 -0.287 0.000 0.908 182 L HN 0.093 nan 8.230 nan 0.000 0.437 183 S N -1.319 114.327 115.700 -0.090 0.000 2.641 183 S HA -0.049 4.418 4.470 -0.005 0.000 0.239 183 S C 1.664 176.183 174.600 -0.134 0.000 0.972 183 S CA 0.208 58.362 58.200 -0.077 0.000 0.954 183 S CB -0.545 62.558 63.200 -0.162 0.000 0.767 183 S HN 0.454 nan 8.310 nan 0.000 0.539 184 R N 0.814 121.233 120.500 -0.135 0.000 2.279 184 R HA 0.151 4.488 4.340 -0.005 0.000 0.195 184 R C 1.600 177.867 176.300 -0.056 0.000 0.905 184 R CA 1.323 57.351 56.100 -0.121 0.000 1.044 184 R CB -0.600 29.613 30.300 -0.145 0.000 1.056 184 R HN 0.717 nan 8.270 nan 0.000 0.535 185 T N -3.224 111.317 114.554 -0.021 0.000 3.091 185 T HA 0.241 4.588 4.350 -0.005 0.000 0.277 185 T C -0.259 174.489 174.700 0.080 0.000 0.996 185 T CA -0.348 61.758 62.100 0.010 0.000 0.897 185 T CB -0.066 68.801 68.868 -0.002 0.000 1.109 185 T HN 0.122 nan 8.240 nan 0.000 0.534 186 H N 1.440 120.498 119.070 -0.020 0.000 2.996 186 H HA 0.492 5.045 4.556 -0.005 0.000 0.368 186 H C -3.041 172.329 175.328 0.069 0.000 1.185 186 H CA -1.443 54.617 56.048 0.021 0.000 1.160 186 H CB 2.540 32.309 29.762 0.013 0.000 1.820 186 H HN -0.148 nan 8.280 nan 0.000 0.547 187 P HA 0.094 nan 4.420 nan 0.000 0.268 187 P C -1.076 176.432 177.300 0.345 0.000 1.282 187 P CA 0.034 63.182 63.100 0.079 0.000 0.880 187 P CB 0.452 32.139 31.700 -0.022 0.000 0.971 188 V N 5.548 125.637 119.914 0.291 0.000 2.577 188 V HA 0.216 4.333 4.120 -0.005 0.000 0.303 188 V C -0.034 176.014 176.094 -0.076 0.000 1.042 188 V CA -0.845 61.586 62.300 0.217 0.000 0.872 188 V CB 2.215 34.189 31.823 0.251 0.000 0.998 188 V HN 0.341 nan 8.190 nan 0.000 0.423 189 L N 5.694 126.615 121.223 -0.503 0.000 2.259 189 L HA 0.494 4.831 4.340 -0.005 0.000 0.288 189 L C -0.971 175.796 176.870 -0.171 0.000 1.051 189 L CA -0.071 54.400 54.840 -0.614 0.000 0.824 189 L CB 0.457 41.729 42.059 -1.311 0.000 1.206 189 L HN 0.645 nan 8.230 nan 0.000 0.429 190 Y N 5.918 126.153 120.300 -0.107 0.000 2.454 190 Y HA 0.510 5.057 4.550 -0.004 0.000 0.345 190 Y C -0.607 175.243 175.900 -0.084 0.000 0.970 190 Y CA -0.325 57.780 58.100 0.008 0.000 1.204 190 Y CB 0.485 39.027 38.460 0.137 0.000 1.122 190 Y HN 0.553 nan 8.280 nan 0.000 0.514 191 L N 5.035 126.185 121.223 -0.122 0.000 2.365 191 L HA 0.539 4.876 4.340 -0.005 0.000 0.267 191 L C -1.097 175.568 176.870 -0.341 0.000 1.033 191 L CA -0.995 53.767 54.840 -0.128 0.000 0.802 191 L CB 1.247 43.217 42.059 -0.148 0.000 1.267 191 L HN 0.391 nan 8.230 nan 0.000 0.457 192 F N -0.765 119.238 119.950 0.090 0.000 2.507 192 F HA 0.223 4.747 4.527 -0.005 0.000 0.325 192 F C 0.513 176.384 175.800 0.119 0.000 1.116 192 F CA -0.554 57.535 58.000 0.148 0.000 0.930 192 F CB 1.342 40.421 39.000 0.132 0.000 1.146 192 F HN 0.308 nan 8.300 nan 0.000 0.447 193 Y N 1.823 122.260 120.300 0.229 0.000 2.165 193 Y HA -0.248 4.298 4.550 -0.006 0.000 0.286 193 Y C 1.838 177.878 175.900 0.234 0.000 1.155 193 Y CA 2.178 60.386 58.100 0.180 0.000 1.164 193 Y CB 0.066 38.675 38.460 0.249 0.000 0.978 193 Y HN 0.639 nan 8.280 nan 0.000 0.513 194 E N 0.285 120.786 120.200 0.501 0.000 2.110 194 E HA -0.173 4.174 4.350 -0.005 0.000 0.193 194 E C 1.824 178.531 176.600 0.179 0.000 0.988 194 E CA 1.500 58.106 56.400 0.343 0.000 0.804 194 E CB -0.360 29.527 29.700 0.312 0.000 0.745 194 E HN 0.512 nan 8.360 nan 0.000 0.458 195 D N -0.095 120.411 120.400 0.177 0.000 2.117 195 D HA -0.142 4.495 4.640 -0.005 0.000 0.197 195 D C 1.857 178.176 176.300 0.031 0.000 0.987 195 D CA 1.109 55.172 54.000 0.104 0.000 0.829 195 D CB -0.201 40.688 40.800 0.148 0.000 0.961 195 D HN 0.226 nan 8.370 nan 0.000 0.460 196 M N 0.220 119.779 119.600 -0.070 0.000 2.159 196 M HA -0.124 4.353 4.480 -0.005 0.000 0.263 196 M C 2.022 178.347 176.300 0.041 0.000 1.063 196 M CA 1.113 56.282 55.300 -0.220 0.000 1.110 196 M CB -0.035 32.071 32.600 -0.823 0.000 1.374 196 M HN -0.120 nan 8.290 nan 0.000 0.411 197 K N 0.298 120.767 120.400 0.115 0.000 2.057 197 K HA -0.168 4.149 4.320 -0.005 0.000 0.206 197 K C 1.862 178.532 176.600 0.115 0.000 1.050 197 K CA 1.390 57.787 56.287 0.184 0.000 0.935 197 K CB -0.322 32.253 32.500 0.124 0.000 0.715 197 K HN 0.474 nan 8.250 nan 0.000 0.439 198 E N 0.960 121.213 120.200 0.087 0.000 2.017 198 E HA -0.168 4.179 4.350 -0.005 0.000 0.193 198 E C 0.268 176.902 176.600 0.058 0.000 0.997 198 E CA 1.111 57.550 56.400 0.064 0.000 0.804 198 E CB 0.095 29.829 29.700 0.057 0.000 0.757 198 E HN 0.165 nan 8.360 nan 0.000 0.448 199 N N -0.577 118.155 118.700 0.054 0.000 2.690 199 N HA 0.168 4.905 4.740 -0.005 0.000 0.255 199 N C -2.417 173.119 175.510 0.044 0.000 1.195 199 N CA -1.413 51.666 53.050 0.049 0.000 0.790 199 N CB 1.527 40.038 38.487 0.039 0.000 1.216 199 N HN -0.093 nan 8.380 nan 0.000 0.528 200 P HA -0.229 nan 4.420 nan 0.000 0.214 200 P C 1.117 178.443 177.300 0.043 0.000 1.163 200 P CA 1.222 64.367 63.100 0.075 0.000 0.889 200 P CB 0.304 32.097 31.700 0.154 0.000 0.790 201 K N -0.138 120.294 120.400 0.054 0.000 2.057 201 K HA -0.201 4.116 4.320 -0.005 0.000 0.207 201 K C 2.384 179.007 176.600 0.039 0.000 1.049 201 K CA 1.300 57.618 56.287 0.050 0.000 0.931 201 K CB -0.271 32.261 32.500 0.054 0.000 0.714 201 K HN -0.159 nan 8.250 nan 0.000 0.440 202 R N 0.400 120.920 120.500 0.034 0.000 2.091 202 R HA -0.152 4.185 4.340 -0.005 0.000 0.238 202 R C 1.681 177.995 176.300 0.023 0.000 1.136 202 R CA 1.771 57.890 56.100 0.032 0.000 0.959 202 R CB -0.009 30.311 30.300 0.033 0.000 0.856 202 R HN 0.221 nan 8.270 nan 0.000 0.437 203 E N 0.566 120.766 120.200 0.001 0.000 2.107 203 E HA -0.123 4.224 4.350 -0.005 0.000 0.191 203 E C 2.086 178.671 176.600 -0.026 0.000 0.982 203 E CA 0.928 57.311 56.400 -0.028 0.000 0.809 203 E CB -0.179 29.463 29.700 -0.096 0.000 0.756 203 E HN 0.471 nan 8.360 nan 0.000 0.459 204 I N 1.335 121.896 120.570 -0.015 0.000 2.361 204 I HA -0.277 3.890 4.170 -0.005 0.000 0.251 204 I C 2.364 178.506 176.117 0.042 0.000 1.133 204 I CA 1.073 62.379 61.300 0.011 0.000 1.413 204 I CB -0.207 37.814 38.000 0.035 0.000 1.073 204 I HN 0.092 nan 8.210 nan 0.000 0.424 205 Q N 0.594 120.420 119.800 0.044 0.000 2.172 205 Q HA -0.162 4.175 4.340 -0.005 0.000 0.200 205 Q C 2.101 178.140 176.000 0.065 0.000 0.964 205 Q CA 1.039 56.875 55.803 0.056 0.000 0.855 205 Q CB -0.009 28.759 28.738 0.050 0.000 0.918 205 Q HN 0.497 nan 8.270 nan 0.000 0.444 206 K N 0.617 121.051 120.400 0.057 0.000 2.057 206 K HA -0.063 4.254 4.320 -0.005 0.000 0.206 206 K C 2.008 178.673 176.600 0.107 0.000 1.050 206 K CA 0.934 57.263 56.287 0.070 0.000 0.935 206 K CB -0.010 32.516 32.500 0.044 0.000 0.715 206 K HN 0.140 nan 8.250 nan 0.000 0.439 207 I N 1.226 121.848 120.570 0.086 0.000 2.179 207 I HA -0.308 3.859 4.170 -0.005 0.000 0.242 207 I C 2.245 178.477 176.117 0.191 0.000 1.088 207 I CA 1.245 62.627 61.300 0.137 0.000 1.357 207 I CB -0.281 37.763 38.000 0.073 0.000 1.051 207 I HN 0.128 nan 8.210 nan 0.000 0.409 208 L N 0.373 121.675 121.223 0.133 0.000 2.013 208 L HA -0.277 4.060 4.340 -0.005 0.000 0.212 208 L C 2.680 179.619 176.870 0.114 0.000 1.073 208 L CA 1.651 56.562 54.840 0.117 0.000 0.753 208 L CB -0.522 41.590 42.059 0.087 0.000 0.890 208 L HN 0.327 nan 8.230 nan 0.000 0.432 209 E N -0.361 119.912 120.200 0.122 0.000 2.072 209 E HA -0.269 4.078 4.350 -0.005 0.000 0.191 209 E C 2.161 178.851 176.600 0.149 0.000 0.985 209 E CA 1.194 57.661 56.400 0.113 0.000 0.801 209 E CB -0.091 29.675 29.700 0.110 0.000 0.750 209 E HN 0.366 nan 8.360 nan 0.000 0.452 210 F N 1.312 121.288 119.950 0.044 0.000 2.126 210 F HA -0.170 4.354 4.527 -0.006 0.000 0.299 210 F C 1.970 177.803 175.800 0.055 0.000 1.096 210 F CA 1.613 59.642 58.000 0.048 0.000 1.255 210 F CB -0.233 38.800 39.000 0.056 0.000 0.997 210 F HN -0.015 nan 8.300 nan 0.000 0.479 211 V N -1.146 118.788 119.914 0.034 0.000 3.620 211 V HA 0.392 4.509 4.120 -0.005 0.000 0.286 211 V C 1.342 177.403 176.094 -0.054 0.000 1.288 211 V CA 0.321 62.593 62.300 -0.047 0.000 1.178 211 V CB -1.120 30.789 31.823 0.145 0.000 0.986 211 V HN 0.602 nan 8.190 nan 0.000 0.431 212 G N 1.223 109.996 108.800 -0.044 0.000 2.366 212 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.299 212 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.299 212 G C 0.212 175.096 174.900 -0.025 0.000 1.020 212 G CA 0.897 45.975 45.100 -0.036 0.000 1.026 212 G HN 0.719 nan 8.290 nan 0.000 0.512 213 R N -1.044 119.456 120.500 0.002 0.000 2.912 213 R HA 0.812 5.149 4.340 -0.005 0.000 0.262 213 R C -0.540 175.771 176.300 0.018 0.000 1.057 213 R CA -0.463 55.636 56.100 -0.003 0.000 0.981 213 R CB 2.112 32.409 30.300 -0.004 0.000 1.201 213 R HN 0.260 nan 8.270 nan 0.000 0.484 214 S N 0.512 116.219 115.700 0.012 0.000 2.569 214 S HA 0.738 5.205 4.470 -0.005 0.000 0.280 214 S C -1.513 173.101 174.600 0.023 0.000 1.111 214 S CA -0.652 57.561 58.200 0.021 0.000 0.887 214 S CB 1.091 64.299 63.200 0.012 0.000 1.095 214 S HN 0.413 nan 8.310 nan 0.000 0.476 215 L N 2.557 123.799 121.223 0.032 0.000 2.466 215 L HA 0.511 4.848 4.340 -0.005 0.000 0.258 215 L C -2.505 174.385 176.870 0.033 0.000 0.973 215 L CA -2.126 52.735 54.840 0.035 0.000 0.826 215 L CB 2.463 44.555 42.059 0.055 0.000 1.372 215 L HN 0.513 nan 8.230 nan 0.000 0.409 216 P HA 0.020 nan 4.420 nan 0.000 0.266 216 P C 0.325 177.648 177.300 0.038 0.000 1.195 216 P CA -0.088 63.025 63.100 0.022 0.000 0.768 216 P CB 0.823 32.528 31.700 0.008 0.000 0.838 217 E N 2.668 122.890 120.200 0.036 0.000 2.136 217 E HA -0.305 4.042 4.350 -0.005 0.000 0.202 217 E C 1.628 178.265 176.600 0.061 0.000 1.019 217 E CA 2.071 58.499 56.400 0.046 0.000 0.819 217 E CB -0.297 29.426 29.700 0.038 0.000 0.739 217 E HN 0.644 nan 8.360 nan 0.000 0.458 218 E N -1.210 119.022 120.200 0.052 0.000 2.110 218 E HA -0.169 4.178 4.350 -0.005 0.000 0.193 218 E C 1.697 178.359 176.600 0.102 0.000 0.988 218 E CA 1.680 58.120 56.400 0.066 0.000 0.804 218 E CB -0.116 29.605 29.700 0.034 0.000 0.745 218 E HN 0.299 nan 8.360 nan 0.000 0.458 219 T N 0.363 114.962 114.554 0.076 0.000 2.867 219 T HA -0.082 4.265 4.350 -0.005 0.000 0.268 219 T C 1.886 176.704 174.700 0.197 0.000 1.057 219 T CA 1.018 63.183 62.100 0.109 0.000 1.136 219 T CB -0.035 68.860 68.868 0.046 0.000 0.874 219 T HN 0.026 nan 8.240 nan 0.000 0.466 220 V N 2.150 122.147 119.914 0.139 0.000 2.295 220 V HA -0.166 3.951 4.120 -0.005 0.000 0.246 220 V C 2.324 178.508 176.094 0.150 0.000 1.049 220 V CA 1.698 64.078 62.300 0.132 0.000 1.024 220 V CB -0.502 31.377 31.823 0.093 0.000 0.648 220 V HN 0.427 nan 8.190 nan 0.000 0.447 221 D N -0.698 119.790 120.400 0.147 0.000 2.218 221 D HA -0.176 4.461 4.640 -0.005 0.000 0.204 221 D C 1.846 178.258 176.300 0.187 0.000 0.976 221 D CA 1.163 55.247 54.000 0.139 0.000 0.853 221 D CB -0.210 40.663 40.800 0.122 0.000 0.939 221 D HN 0.480 nan 8.370 nan 0.000 0.481 222 F N 1.179 121.184 119.950 0.090 0.000 2.163 222 F HA -0.157 4.365 4.527 -0.007 0.000 0.297 222 F C 2.169 178.081 175.800 0.185 0.000 1.094 222 F CA 0.803 58.886 58.000 0.138 0.000 1.290 222 F CB -0.172 38.887 39.000 0.098 0.000 1.017 222 F HN -0.232 nan 8.300 nan 0.000 0.483 223 V N -0.525 119.515 119.914 0.210 0.000 2.358 223 V HA -0.276 3.841 4.120 -0.005 0.000 0.246 223 V C 2.412 178.554 176.094 0.080 0.000 1.047 223 V CA 1.571 63.946 62.300 0.125 0.000 1.035 223 V CB -0.844 31.071 31.823 0.155 0.000 0.658 223 V HN 0.233 nan 8.190 nan 0.000 0.452 224 V N -0.218 119.748 119.914 0.088 0.000 2.252 224 V HA -0.319 3.798 4.120 -0.005 0.000 0.249 224 V C 2.668 178.779 176.094 0.029 0.000 1.056 224 V CA 2.079 64.427 62.300 0.081 0.000 1.022 224 V CB -0.725 31.144 31.823 0.076 0.000 0.641 224 V HN 0.531 nan 8.190 nan 0.000 0.445 225 Q N -0.482 119.292 119.800 -0.043 0.000 2.084 225 Q HA -0.204 4.133 4.340 -0.005 0.000 0.202 225 Q C 2.011 177.832 176.000 -0.298 0.000 0.978 225 Q CA 1.816 57.516 55.803 -0.172 0.000 0.844 225 Q CB -0.542 28.055 28.738 -0.235 0.000 0.898 225 Q HN 0.791 nan 8.270 nan 0.000 0.426 226 H N -0.556 118.372 119.070 -0.236 0.000 2.547 226 H HA 0.044 4.595 4.556 -0.008 0.000 0.266 226 H C 0.990 176.267 175.328 -0.085 0.000 0.988 226 H CA 1.245 57.168 56.048 -0.210 0.000 1.147 226 H CB 0.269 29.828 29.762 -0.339 0.000 1.365 226 H HN 0.260 nan 8.280 nan 0.000 0.589 227 T N -2.692 111.897 114.554 0.058 0.000 3.132 227 T HA 0.128 4.475 4.350 -0.005 0.000 0.274 227 T C 0.713 175.465 174.700 0.088 0.000 1.011 227 T CA -0.260 61.931 62.100 0.151 0.000 0.899 227 T CB -0.056 68.991 68.868 0.298 0.000 1.089 227 T HN 0.218 nan 8.240 nan 0.000 0.543 228 S N 0.521 116.204 115.700 -0.028 0.000 2.592 228 S HA 0.424 4.891 4.470 -0.005 0.000 0.271 228 S C 0.850 175.344 174.600 -0.176 0.000 1.326 228 S CA -0.831 57.316 58.200 -0.089 0.000 1.024 228 S CB 0.604 63.762 63.200 -0.070 0.000 0.921 228 S HN 0.177 nan 8.310 nan 0.000 0.527 229 F N 2.639 122.370 119.950 -0.366 0.000 2.065 229 F HA -0.148 4.379 4.527 0.000 0.000 0.298 229 F C 2.461 178.150 175.800 -0.185 0.000 1.112 229 F CA 2.370 60.175 58.000 -0.326 0.000 1.212 229 F CB -0.441 38.374 39.000 -0.309 0.000 0.975 229 F HN 0.857 nan 8.300 nan 0.000 0.476 230 K N -0.082 120.266 120.400 -0.088 0.000 2.044 230 K HA -0.301 4.016 4.320 -0.005 0.000 0.210 230 K C 2.118 178.587 176.600 -0.218 0.000 1.049 230 K CA 2.074 58.275 56.287 -0.143 0.000 0.927 230 K CB -0.366 32.106 32.500 -0.047 0.000 0.713 230 K HN 0.285 nan 8.250 nan 0.000 0.443 231 E N 0.373 120.453 120.200 -0.201 0.000 2.072 231 E HA -0.056 4.291 4.350 -0.005 0.000 0.190 231 E C 1.921 178.420 176.600 -0.169 0.000 0.982 231 E CA 1.468 57.756 56.400 -0.187 0.000 0.803 231 E CB 0.002 29.564 29.700 -0.231 0.000 0.755 231 E HN 0.361 nan 8.360 nan 0.000 0.453 232 M N -0.124 119.350 119.600 -0.209 0.000 2.394 232 M HA -0.072 4.405 4.480 -0.005 0.000 0.264 232 M C 2.145 178.303 176.300 -0.238 0.000 1.073 232 M CA 0.983 56.174 55.300 -0.181 0.000 1.111 232 M CB -0.043 32.462 32.600 -0.158 0.000 1.401 232 M HN -0.034 nan 8.290 nan 0.000 0.448 233 K N 1.603 121.755 120.400 -0.412 0.000 2.103 233 K HA -0.146 4.171 4.320 -0.005 0.000 0.204 233 K C 1.821 178.296 176.600 -0.209 0.000 1.052 233 K CA 1.197 57.236 56.287 -0.414 0.000 0.945 233 K CB 0.143 32.240 32.500 -0.672 0.000 0.722 233 K HN 0.365 nan 8.250 nan 0.000 0.443 234 K N -0.301 119.995 120.400 -0.173 0.000 2.361 234 K HA -0.028 4.289 4.320 -0.005 0.000 0.196 234 K C 0.342 176.902 176.600 -0.067 0.000 1.039 234 K CA 0.263 56.489 56.287 -0.101 0.000 1.001 234 K CB -0.317 32.133 32.500 -0.084 0.000 0.795 234 K HN 0.051 nan 8.250 nan 0.000 0.495 235 N N 3.260 121.917 118.700 -0.072 0.000 2.399 235 N HA 0.046 4.783 4.740 -0.005 0.000 0.259 235 N C -1.704 173.753 175.510 -0.088 0.000 1.160 235 N CA -1.545 51.477 53.050 -0.047 0.000 0.946 235 N CB 0.937 39.399 38.487 -0.041 0.000 1.156 235 N HN -0.041 nan 8.380 nan 0.000 0.489 236 P HA -0.134 nan 4.420 nan 0.000 0.228 236 P C 0.712 177.888 177.300 -0.208 0.000 1.151 236 P CA 0.922 63.953 63.100 -0.116 0.000 0.770 236 P CB 0.215 31.875 31.700 -0.068 0.000 0.786 237 M N -0.379 119.042 119.600 -0.298 0.000 2.561 237 M HA 0.074 4.551 4.480 -0.005 0.000 0.238 237 M C 1.229 177.321 176.300 -0.347 0.000 1.131 237 M CA 1.022 56.078 55.300 -0.408 0.000 1.046 237 M CB -1.067 31.183 32.600 -0.584 0.000 1.532 237 M HN 0.112 nan 8.290 nan 0.000 0.497 238 T N -4.158 110.249 114.554 -0.245 0.000 3.029 238 T HA 0.062 4.409 4.350 -0.005 0.000 0.256 238 T C 0.946 175.602 174.700 -0.073 0.000 0.914 238 T CA 0.072 62.062 62.100 -0.183 0.000 0.880 238 T CB -0.368 68.451 68.868 -0.081 0.000 1.246 238 T HN 0.247 nan 8.240 nan 0.000 0.523 239 N N 0.838 119.513 118.700 -0.042 0.000 2.398 239 N HA 0.052 4.789 4.740 -0.005 0.000 0.188 239 N C 0.117 175.760 175.510 0.221 0.000 1.122 239 N CA -0.262 52.858 53.050 0.116 0.000 0.866 239 N CB -0.844 37.651 38.487 0.013 0.000 0.970 239 N HN 0.479 nan 8.380 nan 0.000 0.462 240 Y N -1.078 119.198 120.300 -0.041 0.000 4.753 240 Y HA -0.312 4.236 4.550 -0.004 0.000 0.232 240 Y C 1.496 177.444 175.900 0.079 0.000 1.029 240 Y CA 1.116 59.238 58.100 0.037 0.000 1.996 240 Y CB -2.664 35.752 38.460 -0.073 0.000 1.602 240 Y HN 0.450 nan 8.280 nan 0.000 0.621 241 T N -4.961 109.549 114.554 -0.074 0.000 3.113 241 T HA -0.099 4.248 4.350 -0.005 0.000 0.263 241 T C 1.629 176.325 174.700 -0.006 0.000 1.143 241 T CA 1.176 63.134 62.100 -0.236 0.000 1.090 241 T CB -0.316 68.383 68.868 -0.282 0.000 0.922 241 T HN 0.605 nan 8.240 nan 0.000 0.521 242 T N 0.264 114.843 114.554 0.042 0.000 3.081 242 T HA 0.205 4.552 4.350 -0.005 0.000 0.255 242 T C 0.835 175.592 174.700 0.095 0.000 1.113 242 T CA 0.094 62.228 62.100 0.057 0.000 1.082 242 T CB -0.864 68.023 68.868 0.033 0.000 0.939 242 T HN 0.507 nan 8.240 nan 0.000 0.506 243 V N -0.120 119.871 119.914 0.128 0.000 2.775 243 V HA 0.515 4.632 4.120 -0.005 0.000 0.299 243 V C -2.644 173.510 176.094 0.100 0.000 1.062 243 V CA -2.524 59.805 62.300 0.049 0.000 1.063 243 V CB 0.072 31.894 31.823 -0.001 0.000 0.994 243 V HN 0.005 nan 8.190 nan 0.000 0.483 244 P HA 0.085 nan 4.420 nan 0.000 0.265 244 P C 0.528 177.952 177.300 0.208 0.000 1.187 244 P CA 0.286 63.472 63.100 0.143 0.000 0.766 244 P CB 0.388 32.197 31.700 0.181 0.000 0.820 245 Q N 2.901 122.802 119.800 0.167 0.000 2.291 245 Q HA -0.235 4.102 4.340 -0.005 0.000 0.206 245 Q C 1.492 177.569 176.000 0.128 0.000 0.976 245 Q CA 1.677 57.569 55.803 0.148 0.000 0.875 245 Q CB -0.601 28.205 28.738 0.112 0.000 0.927 245 Q HN 0.612 nan 8.270 nan 0.000 0.450 246 E N -0.348 119.943 120.200 0.152 0.000 2.204 246 E HA -0.173 4.174 4.350 -0.005 0.000 0.194 246 E C 1.048 177.662 176.600 0.024 0.000 0.989 246 E CA 0.841 57.287 56.400 0.077 0.000 0.824 246 E CB -0.233 29.514 29.700 0.078 0.000 0.756 246 E HN 0.474 nan 8.360 nan 0.000 0.477 247 F N 0.775 120.728 119.950 0.005 0.000 2.243 247 F HA 0.326 4.850 4.527 -0.004 0.000 0.287 247 F C 1.409 177.196 175.800 -0.021 0.000 1.067 247 F CA 0.625 58.625 58.000 0.001 0.000 1.304 247 F CB 0.385 39.404 39.000 0.032 0.000 1.087 247 F HN -0.126 nan 8.300 nan 0.000 0.513 248 M N 0.244 119.962 119.600 0.195 0.000 2.204 248 M HA 0.196 4.673 4.480 -0.005 0.000 0.293 248 M C -1.555 174.732 176.300 -0.022 0.000 0.994 248 M CA -0.493 54.822 55.300 0.025 0.000 0.925 248 M CB 1.897 34.508 32.600 0.018 0.000 1.577 248 M HN -0.210 nan 8.290 nan 0.000 0.439 249 D N 2.505 122.860 120.400 -0.074 0.000 2.473 249 D HA 0.190 4.828 4.640 -0.005 0.000 0.226 249 D C 0.812 177.083 176.300 -0.048 0.000 1.089 249 D CA -0.065 53.928 54.000 -0.011 0.000 0.883 249 D CB 0.560 41.365 40.800 0.009 0.000 1.029 249 D HN 0.616 nan 8.370 nan 0.000 0.517 250 H N 1.215 120.353 119.070 0.113 0.000 2.521 250 H HA -0.087 4.469 4.556 0.000 0.000 0.286 250 H C 1.824 177.202 175.328 0.083 0.000 1.034 250 H CA 1.004 57.123 56.048 0.119 0.000 1.278 250 H CB 0.376 30.215 29.762 0.128 0.000 1.386 250 H HN 0.377 nan 8.280 nan 0.000 0.567 251 S N 0.215 116.004 115.700 0.147 0.000 2.489 251 S HA -0.008 4.459 4.470 -0.005 0.000 0.228 251 S C 2.061 176.695 174.600 0.056 0.000 0.995 251 S CA 0.256 58.512 58.200 0.093 0.000 0.934 251 S CB -0.314 62.930 63.200 0.072 0.000 0.771 251 S HN 0.291 nan 8.310 nan 0.000 0.522 252 I N 0.529 121.125 120.570 0.043 0.000 2.400 252 I HA 0.140 4.307 4.170 -0.005 0.000 0.248 252 I C 0.954 177.083 176.117 0.019 0.000 1.109 252 I CA 0.539 61.847 61.300 0.013 0.000 1.425 252 I CB 0.133 38.137 38.000 0.006 0.000 1.094 252 I HN 0.339 nan 8.210 nan 0.000 0.425 253 S N 0.038 115.768 115.700 0.050 0.000 2.561 253 S HA 0.316 4.783 4.470 -0.005 0.000 0.292 253 S C -2.774 171.899 174.600 0.121 0.000 1.107 253 S CA -0.956 57.289 58.200 0.076 0.000 0.969 253 S CB 1.194 64.456 63.200 0.104 0.000 1.150 253 S HN -0.243 nan 8.310 nan 0.000 0.451 254 P HA 0.221 nan 4.420 nan 0.000 0.268 254 P C 0.480 177.977 177.300 0.329 0.000 1.205 254 P CA -0.381 62.914 63.100 0.325 0.000 0.771 254 P CB 0.214 32.054 31.700 0.234 0.000 0.858 255 F N 2.466 122.642 119.950 0.376 0.000 2.102 255 F HA -0.077 4.446 4.527 -0.006 0.000 0.298 255 F C 1.069 176.996 175.800 0.212 0.000 1.105 255 F CA 1.524 59.691 58.000 0.279 0.000 1.239 255 F CB 0.025 39.237 39.000 0.354 0.000 0.991 255 F HN 0.161 nan 8.300 nan 0.000 0.474 256 M N 1.815 121.612 119.600 0.328 0.000 2.725 256 M HA 0.122 4.599 4.480 -0.005 0.000 0.322 256 M C 1.216 177.686 176.300 0.284 0.000 1.393 256 M CA 0.354 55.787 55.300 0.221 0.000 1.452 256 M CB 0.131 32.721 32.600 -0.015 0.000 1.242 256 M HN 0.269 nan 8.290 nan 0.000 0.487 257 R N 2.226 122.842 120.500 0.193 0.000 2.054 257 R HA -0.013 4.324 4.340 -0.005 0.000 0.223 257 R C 1.219 177.571 176.300 0.087 0.000 1.176 257 R CA 1.582 57.733 56.100 0.085 0.000 0.934 257 R CB 0.526 30.776 30.300 -0.083 0.000 0.828 257 R HN 0.497 nan 8.270 nan 0.000 0.441 258 K N -2.846 117.475 120.400 -0.132 0.000 2.550 258 K HA 0.200 4.517 4.320 -0.005 0.000 0.205 258 K C 0.349 176.303 176.600 -1.076 0.000 1.429 258 K CA 0.564 56.602 56.287 -0.414 0.000 0.997 258 K CB 1.481 33.808 32.500 -0.287 0.000 1.328 258 K HN 0.441 nan 8.250 nan 0.000 0.546 259 G N 2.749 111.060 108.800 -0.815 0.000 2.249 259 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.273 259 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.273 259 G C -0.064 174.589 174.900 -0.411 0.000 1.036 259 G CA 0.750 45.391 45.100 -0.764 0.000 0.824 259 G HN 0.114 nan 8.290 nan 0.000 0.504 260 M N -0.244 119.215 119.600 -0.236 0.000 2.644 260 M HA 0.701 5.178 4.480 -0.005 0.000 0.316 260 M C 0.295 176.637 176.300 0.069 0.000 1.200 260 M CA -0.428 54.813 55.300 -0.098 0.000 0.944 260 M CB 2.311 34.815 32.600 -0.161 0.000 1.691 260 M HN 0.439 nan 8.290 nan 0.000 0.471 261 A N 0.736 123.631 122.820 0.125 0.000 2.288 261 A HA 0.727 5.044 4.320 -0.005 0.000 0.320 261 A C 0.701 178.326 177.584 0.070 0.000 1.217 261 A CA 0.181 52.328 52.037 0.183 0.000 0.840 261 A CB 0.327 19.492 19.000 0.275 0.000 1.179 261 A HN 1.163 nan 8.150 nan 0.000 0.504 262 G N 2.050 110.899 108.800 0.081 0.000 2.195 262 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.224 262 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.224 262 G C 0.560 175.229 174.900 -0.386 0.000 0.990 262 G CA 0.689 45.720 45.100 -0.116 0.000 0.639 262 G HN 0.801 nan 8.290 nan 0.000 0.514 263 D N 0.401 120.674 120.400 -0.211 0.000 2.363 263 D HA 0.025 4.662 4.640 -0.005 0.000 0.226 263 D C 2.239 178.396 176.300 -0.238 0.000 1.020 263 D CA 1.051 54.904 54.000 -0.246 0.000 0.892 263 D CB -0.338 40.359 40.800 -0.171 0.000 0.900 263 D HN 0.713 nan 8.370 nan 0.000 0.531 264 W N 0.647 121.853 121.300 -0.156 0.000 2.392 264 W HA -0.087 4.569 4.660 -0.005 0.000 0.279 264 W C 1.086 177.553 176.519 -0.087 0.000 1.225 264 W CA 0.231 57.498 57.345 -0.132 0.000 1.233 264 W CB -0.715 28.597 29.460 -0.247 0.000 1.122 264 W HN -0.025 nan 8.180 nan 0.000 0.561 265 K N 0.966 120.784 120.400 -0.970 0.000 2.281 265 K HA -0.124 4.193 4.320 -0.005 0.000 0.203 265 K C 2.031 178.438 176.600 -0.322 0.000 1.046 265 K CA 2.156 57.928 56.287 -0.858 0.000 0.938 265 K CB -0.355 31.523 32.500 -1.037 0.000 0.737 265 K HN 0.243 nan 8.250 nan 0.000 0.458 266 T N -3.202 111.206 114.554 -0.243 0.000 3.107 266 T HA 0.082 4.429 4.350 -0.005 0.000 0.249 266 T C 1.527 176.151 174.700 -0.127 0.000 1.096 266 T CA 0.464 62.467 62.100 -0.161 0.000 1.012 266 T CB 0.415 69.187 68.868 -0.161 0.000 0.977 266 T HN -0.078 nan 8.240 nan 0.000 0.527 267 T N 0.430 114.921 114.554 -0.106 0.000 3.085 267 T HA 0.366 4.713 4.350 -0.005 0.000 0.241 267 T C -0.004 174.634 174.700 -0.103 0.000 0.988 267 T CA -0.367 61.578 62.100 -0.259 0.000 1.117 267 T CB -0.128 68.406 68.868 -0.556 0.000 0.978 267 T HN 0.283 nan 8.240 nan 0.000 0.454 268 F N 3.717 123.679 119.950 0.019 0.000 2.529 268 F HA 0.259 4.782 4.527 -0.005 0.000 0.365 268 F C 1.566 177.464 175.800 0.163 0.000 1.102 268 F CA -0.461 57.691 58.000 0.253 0.000 1.271 268 F CB 0.359 39.573 39.000 0.356 0.000 1.120 268 F HN 0.067 nan 8.300 nan 0.000 0.579 269 T N -0.248 114.492 114.554 0.310 0.000 2.824 269 T HA 0.296 4.643 4.350 -0.005 0.000 0.277 269 T C 1.135 175.964 174.700 0.214 0.000 0.975 269 T CA -0.888 61.328 62.100 0.192 0.000 0.966 269 T CB 1.084 70.031 68.868 0.132 0.000 1.054 269 T HN 0.281 nan 8.240 nan 0.000 0.533 270 V N 1.163 121.162 119.914 0.141 0.000 2.427 270 V HA -0.067 4.050 4.120 -0.005 0.000 0.248 270 V C 3.066 179.241 176.094 0.136 0.000 1.051 270 V CA 2.136 64.515 62.300 0.131 0.000 1.048 270 V CB -1.630 30.242 31.823 0.082 0.000 0.666 270 V HN 1.057 nan 8.190 nan 0.000 0.456 271 A N -0.637 122.250 122.820 0.113 0.000 1.898 271 A HA -0.257 4.060 4.320 -0.005 0.000 0.216 271 A C 2.184 179.844 177.584 0.126 0.000 1.181 271 A CA 1.755 53.850 52.037 0.096 0.000 0.620 271 A CB -0.447 18.591 19.000 0.063 0.000 0.819 271 A HN 0.601 nan 8.150 nan 0.000 0.442 272 Q N -0.759 119.131 119.800 0.150 0.000 2.124 272 Q HA -0.200 4.137 4.340 -0.005 0.000 0.202 272 Q C 2.074 178.282 176.000 0.346 0.000 0.977 272 Q CA 1.507 57.415 55.803 0.176 0.000 0.850 272 Q CB -0.256 28.533 28.738 0.085 0.000 0.901 272 Q HN 0.715 nan 8.270 nan 0.000 0.429 273 N N 0.790 119.724 118.700 0.391 0.000 2.120 273 N HA -0.177 4.560 4.740 -0.005 0.000 0.188 273 N C 1.315 176.963 175.510 0.229 0.000 1.024 273 N CA 1.395 54.648 53.050 0.338 0.000 0.852 273 N CB 0.123 38.781 38.487 0.286 0.000 1.003 273 N HN 0.255 nan 8.380 nan 0.000 0.424 274 E N -0.280 120.028 120.200 0.180 0.000 2.106 274 E HA -0.156 4.191 4.350 -0.005 0.000 0.192 274 E C 2.025 178.706 176.600 0.135 0.000 0.984 274 E CA 0.498 56.976 56.400 0.131 0.000 0.806 274 E CB -0.055 29.703 29.700 0.096 0.000 0.750 274 E HN 0.344 nan 8.360 nan 0.000 0.458 275 R N 0.271 120.863 120.500 0.152 0.000 2.075 275 R HA -0.131 4.206 4.340 -0.005 0.000 0.232 275 R C 2.169 178.564 176.300 0.158 0.000 1.126 275 R CA 1.010 57.184 56.100 0.122 0.000 0.963 275 R CB -0.215 30.146 30.300 0.103 0.000 0.858 275 R HN 0.133 nan 8.270 nan 0.000 0.435 276 F N 1.914 121.923 119.950 0.099 0.000 2.146 276 F HA -0.186 4.338 4.527 -0.005 0.000 0.298 276 F C 1.718 177.575 175.800 0.095 0.000 1.096 276 F CA 1.741 59.816 58.000 0.125 0.000 1.275 276 F CB -0.134 38.990 39.000 0.206 0.000 1.008 276 F HN 0.057 nan 8.300 nan 0.000 0.480 277 D N 0.458 121.030 120.400 0.286 0.000 2.097 277 D HA -0.182 4.455 4.640 -0.005 0.000 0.195 277 D C 2.406 178.779 176.300 0.121 0.000 0.989 277 D CA 1.511 55.607 54.000 0.161 0.000 0.827 277 D CB -0.795 40.059 40.800 0.090 0.000 0.966 277 D HN 0.368 nan 8.370 nan 0.000 0.456 278 A N 0.979 123.849 122.820 0.083 0.000 1.865 278 A HA -0.261 4.056 4.320 -0.005 0.000 0.217 278 A C 2.029 179.618 177.584 0.010 0.000 1.191 278 A CA 2.358 54.422 52.037 0.046 0.000 0.623 278 A CB -0.936 18.084 19.000 0.032 0.000 0.826 278 A HN 0.258 nan 8.150 nan 0.000 0.444 279 D N -2.281 118.095 120.400 -0.041 0.000 2.123 279 D HA -0.234 4.403 4.640 -0.005 0.000 0.196 279 D C 1.772 177.980 176.300 -0.153 0.000 0.992 279 D CA 1.636 55.554 54.000 -0.137 0.000 0.833 279 D CB -0.284 40.384 40.800 -0.221 0.000 0.954 279 D HN 0.513 nan 8.370 nan 0.000 0.455 280 Y N 0.675 120.825 120.300 -0.251 0.000 2.165 280 Y HA -0.199 4.348 4.550 -0.005 0.000 0.286 280 Y C 2.183 178.072 175.900 -0.018 0.000 1.155 280 Y CA 1.955 59.980 58.100 -0.125 0.000 1.164 280 Y CB -0.633 37.782 38.460 -0.075 0.000 0.978 280 Y HN 0.073 nan 8.280 nan 0.000 0.513 281 A N 0.201 123.135 122.820 0.190 0.000 1.902 281 A HA -0.221 4.096 4.320 -0.005 0.000 0.217 281 A C 2.069 179.655 177.584 0.003 0.000 1.181 281 A CA 1.986 54.097 52.037 0.123 0.000 0.623 281 A CB -0.687 18.380 19.000 0.111 0.000 0.818 281 A HN 0.660 nan 8.150 nan 0.000 0.443 282 E N -0.121 120.055 120.200 -0.040 0.000 2.047 282 E HA -0.165 4.182 4.350 -0.005 0.000 0.191 282 E C 1.994 178.528 176.600 -0.110 0.000 0.987 282 E CA 1.202 57.560 56.400 -0.070 0.000 0.799 282 E CB -0.182 29.467 29.700 -0.085 0.000 0.752 282 E HN 0.531 nan 8.360 nan 0.000 0.449 283 K N 0.021 120.309 120.400 -0.186 0.000 2.148 283 K HA -0.020 4.297 4.320 -0.005 0.000 0.204 283 K C 1.658 178.169 176.600 -0.147 0.000 1.050 283 K CA 0.818 56.973 56.287 -0.220 0.000 0.942 283 K CB 0.108 32.353 32.500 -0.425 0.000 0.724 283 K HN 0.160 nan 8.250 nan 0.000 0.446 284 M N -0.316 119.175 119.600 -0.180 0.000 2.383 284 M HA 0.172 4.649 4.480 -0.005 0.000 0.247 284 M C 1.741 178.017 176.300 -0.040 0.000 1.117 284 M CA -0.034 55.189 55.300 -0.128 0.000 0.995 284 M CB -0.278 32.168 32.600 -0.256 0.000 1.480 284 M HN -0.014 nan 8.290 nan 0.000 0.485 285 A N 1.351 124.151 122.820 -0.032 0.000 1.870 285 A HA -0.150 4.167 4.320 -0.005 0.000 0.219 285 A C 1.947 179.536 177.584 0.008 0.000 1.286 285 A CA 2.329 54.364 52.037 -0.003 0.000 0.682 285 A CB -1.513 17.480 19.000 -0.011 0.000 0.844 285 A HN 0.542 nan 8.150 nan 0.000 0.460 286 G N -1.912 106.890 108.800 0.004 0.000 3.374 286 G HA2 0.305 4.262 3.960 -0.005 0.000 0.252 286 G HA3 0.305 4.262 3.960 -0.005 0.000 0.252 286 G C 0.001 174.918 174.900 0.028 0.000 1.326 286 G CA 0.551 45.661 45.100 0.017 0.000 1.133 286 G HN 0.603 nan 8.290 nan 0.000 0.528 287 C N 1.047 120.358 119.300 0.019 0.000 2.345 287 C HA 0.563 5.020 4.460 -0.005 0.000 0.323 287 C C 1.897 176.880 174.990 -0.011 0.000 1.276 287 C CA -0.151 58.873 59.018 0.011 0.000 1.543 287 C CB 0.918 28.646 27.740 -0.021 0.000 2.211 287 C HN 0.434 nan 8.230 nan 0.000 0.493 288 S N 4.747 120.456 115.700 0.016 0.000 2.561 288 S HA 0.046 4.513 4.470 -0.005 0.000 0.225 288 S C 0.611 175.093 174.600 -0.197 0.000 0.977 288 S CA 0.148 58.356 58.200 0.013 0.000 0.926 288 S CB -0.420 62.891 63.200 0.185 0.000 0.769 288 S HN 0.769 nan 8.310 nan 0.000 0.533 289 L N 2.015 122.940 121.223 -0.498 0.000 2.483 289 L HA 0.246 4.583 4.340 -0.005 0.000 0.276 289 L C 0.356 177.039 176.870 -0.311 0.000 1.213 289 L CA 0.086 54.465 54.840 -0.769 0.000 0.843 289 L CB 1.007 42.621 42.059 -0.742 0.000 1.107 289 L HN 0.239 nan 8.230 nan 0.000 0.487 290 S N 2.362 117.819 115.700 -0.405 0.000 2.720 290 S HA 0.560 5.027 4.470 -0.005 0.000 0.278 290 S C -0.811 173.566 174.600 -0.371 0.000 1.172 290 S CA -0.620 57.465 58.200 -0.192 0.000 1.019 290 S CB 0.384 63.486 63.200 -0.165 0.000 1.049 290 S HN 0.299 nan 8.310 nan 0.000 0.483 291 F N 2.657 122.597 119.950 -0.016 0.000 2.457 291 F HA 0.647 5.170 4.527 -0.005 0.000 0.330 291 F C 1.053 176.830 175.800 -0.038 0.000 1.069 291 F CA -0.902 57.093 58.000 -0.009 0.000 1.009 291 F CB 1.051 40.192 39.000 0.235 0.000 1.276 291 F HN 0.297 nan 8.300 nan 0.000 0.492 292 R N -0.054 120.562 120.500 0.194 0.000 2.439 292 R HA 0.332 4.669 4.340 -0.005 0.000 0.310 292 R C 0.085 176.477 176.300 0.152 0.000 0.955 292 R CA -0.363 55.807 56.100 0.116 0.000 0.853 292 R CB 1.748 32.086 30.300 0.063 0.000 1.171 292 R HN 0.634 nan 8.270 nan 0.000 0.449 293 S N 1.793 117.560 115.700 0.112 0.000 2.522 293 S HA -0.066 4.401 4.470 -0.005 0.000 0.227 293 S C 0.249 175.038 174.600 0.316 0.000 0.986 293 S CA 0.628 58.927 58.200 0.166 0.000 0.929 293 S CB -0.019 63.261 63.200 0.134 0.000 0.769 293 S HN 0.704 nan 8.310 nan 0.000 0.529 294 E N -0.721 119.588 120.200 0.182 0.000 2.429 294 E HA 0.546 4.893 4.350 -0.005 0.000 0.280 294 E C -1.678 174.971 176.600 0.081 0.000 1.068 294 E CA -0.976 55.494 56.400 0.116 0.000 0.837 294 E CB 0.521 30.249 29.700 0.046 0.000 1.357 294 E HN -0.114 nan 8.360 nan 0.000 0.455 295 L N 0.000 121.256 121.223 0.055 0.000 2.949 295 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 295 L CA 0.000 54.867 54.840 0.044 0.000 0.813 295 L CB 0.000 42.090 42.059 0.052 0.000 0.961 295 L HN 0.000 nan 8.230 nan 0.000 0.502