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 3ae5_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.628 174.600 0.046 0.000 1.055 10 S CA 0.000 58.233 58.200 0.055 0.000 1.107 10 S CB 0.000 63.210 63.200 0.017 0.000 0.593 11 T N 0.800 115.382 114.554 0.047 0.000 9.639 11 T HA -0.349 -3.195 4.350 -11.994 0.000 0.362 11 T C 1.349 176.046 174.700 -0.004 0.000 1.812 11 T CA 2.162 64.273 62.100 0.019 0.000 2.782 11 T CB -1.025 67.844 68.868 0.001 0.000 2.606 11 T HN 0.675 nan 8.240 nan 0.000 1.105 12 Q N 0.597 120.385 119.800 -0.020 0.000 2.049 12 Q HA 0.091 -2.766 4.340 -11.994 0.000 0.198 12 Q C 0.235 176.083 176.000 -0.253 0.000 0.971 12 Q CA 1.240 56.937 55.803 -0.176 0.000 0.833 12 Q CB 0.043 28.604 28.738 -0.296 0.000 0.896 12 Q HN 0.746 nan 8.270 nan 0.000 0.434 13 Y N 0.851 121.158 120.300 0.012 0.000 2.323 13 Y HA 0.401 -2.245 4.550 -11.993 0.000 0.331 13 Y C -1.958 173.933 175.900 -0.015 0.000 1.092 13 Y CA -3.036 55.065 58.100 0.003 0.000 1.150 13 Y CB 0.758 39.220 38.460 0.003 0.000 1.200 13 Y HN 0.116 nan 8.280 nan 0.000 0.472 14 P HA 0.086 nan 4.420 nan 0.000 0.274 14 P C -0.918 176.380 177.300 -0.003 0.000 1.291 14 P CA -0.386 62.736 63.100 0.037 0.000 0.815 14 P CB 0.174 31.884 31.700 0.017 0.000 0.897 15 V N 2.867 122.782 119.914 0.003 0.000 2.397 15 V HA 0.211 -2.865 4.120 -11.994 0.000 0.262 15 V C 0.160 176.222 176.094 -0.053 0.000 1.047 15 V CA -0.397 61.889 62.300 -0.023 0.000 1.003 15 V CB 0.389 32.213 31.823 0.001 0.000 1.037 15 V HN 0.154 nan 8.190 nan 0.000 0.480 16 V N 4.462 124.314 119.914 -0.103 0.000 2.384 16 V HA 0.442 -2.635 4.120 -11.994 0.000 0.287 16 V C -0.356 175.696 176.094 -0.070 0.000 1.020 16 V CA -0.298 61.943 62.300 -0.099 0.000 0.850 16 V CB 1.488 33.250 31.823 -0.103 0.000 0.987 16 V HN 0.935 nan 8.190 nan 0.000 0.436 17 D N 2.722 123.045 120.400 -0.128 0.000 2.163 17 D HA 0.539 -2.017 4.640 -11.994 0.000 0.248 17 D C -0.378 175.774 176.300 -0.246 0.000 1.035 17 D CA -0.199 53.748 54.000 -0.087 0.000 0.872 17 D CB 0.855 41.638 40.800 -0.029 0.000 1.183 17 D HN 0.564 nan 8.370 nan 0.000 0.445 18 H N 0.708 119.852 119.070 0.123 0.000 2.731 18 H HA 0.448 -2.192 4.556 -11.994 0.000 0.368 18 H C -0.769 174.613 175.328 0.090 0.000 1.168 18 H CA -0.665 55.470 56.048 0.145 0.000 1.181 18 H CB 1.995 31.945 29.762 0.313 0.000 1.743 18 H HN 0.388 nan 8.280 nan 0.000 0.547 19 E N 1.657 121.892 120.200 0.059 0.000 2.218 19 E HA 0.430 -2.416 4.350 -11.994 0.000 0.263 19 E C -1.549 174.875 176.600 -0.293 0.000 0.879 19 E CA -0.338 56.036 56.400 -0.043 0.000 0.762 19 E CB 1.257 30.907 29.700 -0.083 0.000 1.166 19 E HN 0.292 nan 8.360 nan 0.000 0.415 20 F N 1.372 121.357 119.950 0.059 0.000 2.664 20 F HA 0.248 -2.421 4.527 -11.993 0.000 0.317 20 F C 0.795 176.625 175.800 0.050 0.000 1.108 20 F CA -0.707 57.322 58.000 0.049 0.000 0.957 20 F CB 1.775 40.796 39.000 0.036 0.000 1.365 20 F HN 0.403 nan 8.300 nan 0.000 0.475 21 D N 0.640 121.230 120.400 0.316 0.000 2.149 21 D HA 0.240 -2.316 4.640 -11.994 0.000 0.206 21 D C 0.057 176.492 176.300 0.224 0.000 0.967 21 D CA 1.167 55.324 54.000 0.261 0.000 0.848 21 D CB 0.209 41.217 40.800 0.346 0.000 0.998 21 D HN 0.413 nan 8.370 nan 0.000 0.474 22 A N -0.000 122.921 122.820 0.170 0.000 2.520 22 A HA 0.570 -2.306 4.320 -11.994 0.000 0.298 22 A C -1.156 176.379 177.584 -0.081 0.000 1.051 22 A CA -0.562 51.479 52.037 0.006 0.000 0.690 22 A CB 1.806 20.729 19.000 -0.128 0.000 1.281 22 A HN -0.096 nan 8.150 nan 0.000 0.402 23 V N 1.757 121.603 119.914 -0.112 0.000 2.513 23 V HA 0.556 -2.520 4.120 -11.994 0.000 0.299 23 V C -0.433 175.563 176.094 -0.163 0.000 1.035 23 V CA -0.547 61.644 62.300 -0.181 0.000 0.889 23 V CB 1.699 33.428 31.823 -0.156 0.000 0.988 23 V HN 0.681 nan 8.190 nan 0.000 0.440 24 V N 5.318 125.121 119.914 -0.185 0.000 2.378 24 V HA 0.380 -2.696 4.120 -11.994 0.000 0.288 24 V C -0.184 175.841 176.094 -0.115 0.000 1.016 24 V CA -0.610 61.608 62.300 -0.137 0.000 0.840 24 V CB 1.849 33.593 31.823 -0.131 0.000 0.994 24 V HN 0.624 nan 8.190 nan 0.000 0.431 25 V N 4.188 124.046 119.914 -0.092 0.000 2.385 25 V HA 0.852 -2.224 4.120 -11.994 0.000 0.269 25 V C 0.700 176.758 176.094 -0.060 0.000 1.043 25 V CA 0.324 62.571 62.300 -0.087 0.000 0.906 25 V CB 0.513 32.277 31.823 -0.098 0.000 0.995 25 V HN 1.282 nan 8.190 nan 0.000 0.467 26 G N 3.981 112.755 108.800 -0.043 0.000 3.067 26 G HA2 0.316 -2.921 3.960 -11.994 0.000 0.686 26 G HA3 0.316 -2.921 3.960 -11.994 0.000 0.686 26 G C -0.093 174.816 174.900 0.015 0.000 1.119 26 G CA -0.173 44.917 45.100 -0.017 0.000 0.790 26 G HN 1.445 nan 8.290 nan 0.000 0.605 27 A N 1.196 124.034 122.820 0.028 0.000 2.538 27 A HA 0.753 -2.124 4.320 -11.994 0.000 0.269 27 A C 1.212 178.814 177.584 0.031 0.000 1.231 27 A CA 1.134 53.202 52.037 0.052 0.000 0.948 27 A CB 0.260 19.291 19.000 0.051 0.000 1.110 27 A HN 2.191 nan 8.150 nan 0.000 0.529 28 G N -1.257 107.563 108.800 0.033 0.000 2.322 28 G HA2 0.510 -2.726 3.960 -11.994 0.000 0.309 28 G HA3 0.510 -2.726 3.960 -11.994 0.000 0.309 28 G C 1.010 175.952 174.900 0.070 0.000 1.121 28 G CA 0.230 45.355 45.100 0.042 0.000 0.886 28 G HN 1.161 nan 8.290 nan 0.000 0.447 29 G N 2.261 111.111 108.800 0.083 0.000 3.133 29 G HA2 -0.255 -3.491 3.960 -11.994 0.000 0.357 29 G HA3 -0.255 -3.491 3.960 -11.994 0.000 0.357 29 G C 1.904 176.875 174.900 0.117 0.000 1.229 29 G CA 2.267 47.432 45.100 0.110 0.000 1.018 29 G HN 1.792 nan 8.290 nan 0.000 0.635 30 A N 0.168 123.054 122.820 0.110 0.000 1.865 30 A HA 0.186 -2.691 4.320 -11.994 0.000 0.217 30 A C 3.053 180.677 177.584 0.066 0.000 1.191 30 A CA 3.110 55.209 52.037 0.103 0.000 0.623 30 A CB -1.381 17.689 19.000 0.117 0.000 0.826 30 A HN 1.955 nan 8.150 nan 0.000 0.444 31 G N -0.506 108.327 108.800 0.055 0.000 2.446 31 G HA2 -0.170 -3.406 3.960 -11.994 0.000 0.217 31 G HA3 -0.170 -3.406 3.960 -11.994 0.000 0.217 31 G C 1.489 176.419 174.900 0.050 0.000 1.168 31 G CA 1.253 46.371 45.100 0.030 0.000 0.771 31 G HN 0.417 nan 8.290 nan 0.000 0.551 32 L N 0.481 121.764 121.223 0.101 0.000 2.046 32 L HA 0.062 -2.794 4.340 -11.994 0.000 0.208 32 L C 2.759 179.769 176.870 0.232 0.000 1.077 32 L CA 1.926 56.875 54.840 0.181 0.000 0.747 32 L CB -0.508 41.656 42.059 0.176 0.000 0.896 32 L HN 0.212 nan 8.230 nan 0.000 0.432 33 R N -0.272 120.320 120.500 0.152 0.000 2.092 33 R HA -0.025 -2.881 4.340 -11.994 0.000 0.231 33 R C 2.101 178.224 176.300 -0.294 0.000 1.119 33 R CA 1.530 57.636 56.100 0.009 0.000 0.970 33 R CB -0.710 29.633 30.300 0.072 0.000 0.864 33 R HN 0.404 nan 8.270 nan 0.000 0.440 34 A N 0.027 122.753 122.820 -0.157 0.000 1.969 34 A HA 0.062 -2.815 4.320 -11.994 0.000 0.218 34 A C 2.273 179.701 177.584 -0.260 0.000 1.169 34 A CA 1.455 53.363 52.037 -0.215 0.000 0.635 34 A CB -0.811 18.107 19.000 -0.136 0.000 0.810 34 A HN 0.468 nan 8.150 nan 0.000 0.445 35 A N 0.174 122.897 122.820 -0.160 0.000 1.832 35 A HA 0.045 -2.832 4.320 -11.994 0.000 0.214 35 A C 2.009 179.505 177.584 -0.147 0.000 1.200 35 A CA 1.606 53.568 52.037 -0.125 0.000 0.610 35 A CB -0.981 18.020 19.000 0.001 0.000 0.842 35 A HN 1.062 nan 8.150 nan 0.000 0.444 36 F N 0.348 120.213 119.950 -0.141 0.000 2.407 36 F HA 0.222 -2.447 4.527 -11.994 0.000 0.299 36 F C 1.935 177.469 175.800 -0.443 0.000 1.097 36 F CA 0.737 58.573 58.000 -0.272 0.000 1.422 36 F CB -0.985 37.917 39.000 -0.162 0.000 1.067 36 F HN 0.114 nan 8.300 nan 0.000 0.539 37 G N 1.613 109.784 108.800 -1.049 0.000 2.432 37 G HA2 -0.154 -3.391 3.960 -11.994 0.000 0.219 37 G HA3 -0.154 -3.391 3.960 -11.994 0.000 0.219 37 G C 1.681 176.321 174.900 -0.433 0.000 1.135 37 G CA 1.122 45.770 45.100 -0.753 0.000 0.767 37 G HN 0.480 nan 8.290 nan 0.000 0.550 38 L N 0.482 121.476 121.223 -0.382 0.000 2.095 38 L HA -0.012 -2.868 4.340 -11.994 0.000 0.204 38 L C 3.138 179.956 176.870 -0.087 0.000 1.080 38 L CA 1.038 55.702 54.840 -0.292 0.000 0.759 38 L CB -0.254 41.594 42.059 -0.352 0.000 0.914 38 L HN 0.143 nan 8.230 nan 0.000 0.439 39 S N -0.618 115.001 115.700 -0.135 0.000 2.399 39 S HA -0.227 -2.953 4.470 -11.994 0.000 0.231 39 S C 1.816 176.356 174.600 -0.100 0.000 1.022 39 S CA 1.174 59.344 58.200 -0.049 0.000 0.983 39 S CB -0.187 62.999 63.200 -0.023 0.000 0.803 39 S HN 0.396 nan 8.310 nan 0.000 0.480 40 E N 1.255 121.229 120.200 -0.376 0.000 2.118 40 E HA -0.144 -2.990 4.350 -11.994 0.000 0.195 40 E C 1.923 178.525 176.600 0.004 0.000 0.992 40 E CA 1.047 57.307 56.400 -0.233 0.000 0.804 40 E CB -0.179 29.337 29.700 -0.306 0.000 0.741 40 E HN 0.523 nan 8.360 nan 0.000 0.458 41 A N -0.147 122.686 122.820 0.021 0.000 2.167 41 A HA 0.191 -2.686 4.320 -11.994 0.000 0.214 41 A C 1.516 179.203 177.584 0.171 0.000 1.151 41 A CA 1.001 53.115 52.037 0.128 0.000 0.735 41 A CB -0.140 18.969 19.000 0.181 0.000 0.802 41 A HN 0.448 nan 8.150 nan 0.000 0.467 42 G N -1.990 106.903 108.800 0.156 0.000 2.226 42 G HA2 -0.146 -3.382 3.960 -11.994 0.000 0.176 42 G HA3 -0.146 -3.382 3.960 -11.994 0.000 0.176 42 G C -0.336 174.545 174.900 -0.032 0.000 1.042 42 G CA -0.298 44.835 45.100 0.055 0.000 0.732 42 G HN 0.229 nan 8.290 nan 0.000 0.494 43 F N 0.640 120.576 119.950 -0.023 0.000 2.443 43 F HA 0.427 -2.241 4.527 -11.993 0.000 0.335 43 F C 0.896 176.707 175.800 0.019 0.000 1.104 43 F CA -1.020 56.971 58.000 -0.015 0.000 1.013 43 F CB 1.464 40.435 39.000 -0.049 0.000 1.136 43 F HN 0.120 nan 8.300 nan 0.000 0.470 44 N N 2.616 121.428 118.700 0.187 0.000 2.498 44 N HA 0.029 -2.427 4.740 -11.994 0.000 0.277 44 N C -0.949 174.778 175.510 0.363 0.000 1.208 44 N CA -0.035 53.152 53.050 0.229 0.000 1.029 44 N CB 0.165 38.738 38.487 0.144 0.000 1.403 44 N HN 0.547 nan 8.380 nan 0.000 0.500 45 T N 1.618 116.297 114.554 0.208 0.000 2.837 45 T HA 0.526 -2.321 4.350 -11.994 0.000 0.285 45 T C -0.062 174.480 174.700 -0.264 0.000 0.984 45 T CA -0.646 61.456 62.100 0.004 0.000 1.049 45 T CB 1.727 70.547 68.868 -0.080 0.000 0.947 45 T HN 0.457 nan 8.240 nan 0.000 0.472 46 A N 1.208 123.673 122.820 -0.591 0.000 2.340 46 A HA 0.694 -2.182 4.320 -11.994 0.000 0.331 46 A C -0.369 176.909 177.584 -0.511 0.000 1.140 46 A CA -0.747 50.767 52.037 -0.871 0.000 0.801 46 A CB 1.029 19.075 19.000 -1.590 0.000 1.234 46 A HN 0.957 nan 8.150 nan 0.000 0.469 47 C N 2.932 121.972 119.300 -0.433 0.000 2.344 47 C HA 0.651 -2.085 4.460 -11.994 0.000 0.326 47 C C -0.728 174.213 174.990 -0.081 0.000 1.201 47 C CA -0.316 58.548 59.018 -0.258 0.000 1.410 47 C CB -0.473 27.089 27.740 -0.297 0.000 2.070 47 C HN 0.697 nan 8.230 nan 0.000 0.445 48 V N 5.592 125.450 119.914 -0.094 0.000 2.427 48 V HA 0.770 -2.306 4.120 -11.994 0.000 0.286 48 V C 0.413 176.509 176.094 0.004 0.000 1.034 48 V CA 0.003 62.271 62.300 -0.052 0.000 0.893 48 V CB 1.562 33.287 31.823 -0.163 0.000 0.982 48 V HN 0.921 nan 8.190 nan 0.000 0.452 49 T N 3.202 117.804 114.554 0.080 0.000 3.041 49 T HA 0.338 -2.509 4.350 -11.994 0.000 0.321 49 T C 0.557 175.328 174.700 0.118 0.000 1.184 49 T CA -0.499 61.644 62.100 0.072 0.000 1.050 49 T CB 1.679 70.592 68.868 0.076 0.000 1.159 49 T HN 0.869 nan 8.240 nan 0.000 0.469 50 K N 3.589 124.029 120.400 0.067 0.000 2.243 50 K HA 0.276 -2.600 4.320 -11.994 0.000 0.201 50 K C 0.388 177.066 176.600 0.131 0.000 1.051 50 K CA 0.361 56.707 56.287 0.099 0.000 0.970 50 K CB 0.079 32.628 32.500 0.082 0.000 0.755 50 K HN 0.427 nan 8.250 nan 0.000 0.465 51 L N 0.934 122.233 121.223 0.127 0.000 2.334 51 L HA 0.369 -2.488 4.340 -11.994 0.000 0.270 51 L C -0.250 176.724 176.870 0.174 0.000 1.018 51 L CA -1.523 53.415 54.840 0.164 0.000 0.811 51 L CB 0.965 43.103 42.059 0.131 0.000 1.271 51 L HN -0.069 nan 8.230 nan 0.000 0.443 52 F N 3.047 123.032 119.950 0.060 0.000 2.538 52 F HA 0.168 -2.501 4.527 -11.994 0.000 0.371 52 F C -1.499 174.250 175.800 -0.084 0.000 1.087 52 F CA -1.460 56.534 58.000 -0.010 0.000 1.250 52 F CB 0.770 39.748 39.000 -0.037 0.000 1.110 52 F HN 0.316 nan 8.300 nan 0.000 0.570 53 P HA -0.203 nan 4.420 nan 0.000 0.218 53 P C 1.361 178.362 177.300 -0.498 0.000 1.150 53 P CA 2.161 64.914 63.100 -0.578 0.000 0.841 53 P CB -0.018 31.280 31.700 -0.671 0.000 0.784 54 T N -0.774 113.402 114.554 -0.629 0.000 2.904 54 T HA -0.052 -2.898 4.350 -11.994 0.000 0.267 54 T C 1.434 176.113 174.700 -0.035 0.000 1.059 54 T CA 0.861 62.786 62.100 -0.293 0.000 1.137 54 T CB -0.338 68.412 68.868 -0.196 0.000 0.879 54 T HN 0.087 nan 8.240 nan 0.000 0.467 55 R N 1.909 122.451 120.500 0.070 0.000 2.323 55 R HA 0.286 -2.570 4.340 -11.994 0.000 0.198 55 R C 1.070 177.418 176.300 0.079 0.000 0.988 55 R CA -0.070 56.094 56.100 0.107 0.000 1.041 55 R CB -0.896 29.504 30.300 0.166 0.000 0.926 55 R HN 0.249 nan 8.270 nan 0.000 0.476 56 S N 0.501 116.221 115.700 0.033 0.000 2.598 56 S HA -0.042 -2.768 4.470 -11.994 0.000 0.256 56 S C 1.039 175.698 174.600 0.098 0.000 1.350 56 S CA -0.240 57.995 58.200 0.059 0.000 0.984 56 S CB 0.487 63.700 63.200 0.022 0.000 0.930 56 S HN 0.493 nan 8.310 nan 0.000 0.577 57 H N -0.381 118.699 119.070 0.016 0.000 2.529 57 H HA 0.154 -2.486 4.556 -11.993 0.000 0.277 57 H C 1.760 177.099 175.328 0.019 0.000 1.004 57 H CA 0.903 56.959 56.048 0.014 0.000 1.167 57 H CB -0.075 29.681 29.762 -0.009 0.000 1.445 57 H HN 0.631 nan 8.280 nan 0.000 0.554 58 T N -3.334 111.284 114.554 0.107 0.000 3.067 58 T HA -0.075 -2.921 4.350 -11.994 0.000 0.261 58 T C 1.994 176.708 174.700 0.022 0.000 1.110 58 T CA 0.703 62.859 62.100 0.092 0.000 1.113 58 T CB -0.526 68.401 68.868 0.097 0.000 0.917 58 T HN 0.187 nan 8.240 nan 0.000 0.499 59 V N 1.724 121.636 119.914 -0.004 0.000 2.469 59 V HA 0.015 -3.062 4.120 -11.994 0.000 0.251 59 V C 2.838 178.931 176.094 -0.002 0.000 1.064 59 V CA 1.752 64.063 62.300 0.019 0.000 1.066 59 V CB -1.171 30.676 31.823 0.040 0.000 0.667 59 V HN 0.689 nan 8.190 nan 0.000 0.461 60 A N -0.280 122.447 122.820 -0.154 0.000 2.168 60 A HA 0.427 -2.450 4.320 -11.994 0.000 0.215 60 A C 1.362 178.892 177.584 -0.090 0.000 1.152 60 A CA 0.775 52.694 52.037 -0.197 0.000 0.716 60 A CB -0.621 18.079 19.000 -0.499 0.000 0.794 60 A HN 0.791 nan 8.150 nan 0.000 0.465 61 A N -0.722 122.080 122.820 -0.029 0.000 2.498 61 A HA 0.405 -2.471 4.320 -11.994 0.000 0.239 61 A C 0.726 178.345 177.584 0.058 0.000 1.068 61 A CA 0.385 52.447 52.037 0.041 0.000 0.766 61 A CB 0.248 19.288 19.000 0.068 0.000 1.003 61 A HN 0.581 nan 8.150 nan 0.000 0.497 62 Q N 1.762 121.612 119.800 0.082 0.000 2.599 62 Q HA 0.121 -2.735 4.340 -11.994 0.000 0.229 62 Q C 2.103 178.188 176.000 0.141 0.000 0.800 62 Q CA 0.495 56.356 55.803 0.096 0.000 0.937 62 Q CB 0.110 28.901 28.738 0.087 0.000 1.285 62 Q HN 0.884 nan 8.270 nan 0.000 0.600 63 G N 0.759 109.672 108.800 0.190 0.000 2.545 63 G HA2 0.115 -3.121 3.960 -11.994 0.000 0.217 63 G HA3 0.115 -3.121 3.960 -11.994 0.000 0.217 63 G C 0.687 175.632 174.900 0.075 0.000 1.218 63 G CA 1.168 46.433 45.100 0.275 0.000 0.787 63 G HN 0.543 nan 8.290 nan 0.000 0.571 64 G N -1.421 107.348 108.800 -0.051 0.000 2.347 64 G HA2 0.294 -2.942 3.960 -11.994 0.000 0.224 64 G HA3 0.294 -2.943 3.960 -11.994 0.000 0.224 64 G C -1.790 173.068 174.900 -0.069 0.000 1.318 64 G CA -0.051 45.033 45.100 -0.026 0.000 1.016 64 G HN 0.722 nan 8.290 nan 0.000 0.469 65 I N 1.353 121.897 120.570 -0.044 0.000 2.571 65 I HA 0.416 -2.611 4.170 -11.994 0.000 0.289 65 I C -1.365 174.698 176.117 -0.090 0.000 1.115 65 I CA -0.873 60.411 61.300 -0.028 0.000 1.045 65 I CB 1.747 39.797 38.000 0.083 0.000 1.238 65 I HN 0.469 nan 8.210 nan 0.000 0.424 66 N N 6.252 124.888 118.700 -0.106 0.000 2.458 66 N HA 0.652 -1.804 4.740 -11.994 0.000 0.270 66 N C -0.513 174.852 175.510 -0.241 0.000 1.102 66 N CA -0.113 52.830 53.050 -0.179 0.000 0.967 66 N CB 1.591 40.011 38.487 -0.113 0.000 1.078 66 N HN 0.630 nan 8.380 nan 0.000 0.471 67 A N 0.790 123.434 122.820 -0.293 0.000 2.488 67 A HA 0.693 -2.183 4.320 -11.994 0.000 0.295 67 A C -0.688 176.747 177.584 -0.248 0.000 1.045 67 A CA -0.842 51.034 52.037 -0.268 0.000 0.703 67 A CB 0.994 19.873 19.000 -0.201 0.000 1.271 67 A HN 0.555 nan 8.150 nan 0.000 0.400 68 A N 2.590 125.288 122.820 -0.203 0.000 3.056 68 A HA 0.522 -2.355 4.320 -11.994 0.000 0.274 68 A C 0.625 178.157 177.584 -0.087 0.000 1.661 68 A CA -0.167 51.801 52.037 -0.114 0.000 1.363 68 A CB -0.907 18.076 19.000 -0.028 0.000 1.139 68 A HN 0.861 nan 8.150 nan 0.000 0.598 69 L N 1.089 122.247 121.223 -0.108 0.000 2.249 69 L HA 0.202 -2.654 4.340 -11.994 0.000 0.207 69 L C 1.696 178.521 176.870 -0.074 0.000 1.090 69 L CA 0.928 55.709 54.840 -0.099 0.000 0.802 69 L CB 0.014 41.997 42.059 -0.127 0.000 0.947 69 L HN 0.816 nan 8.230 nan 0.000 0.453 70 G N 0.681 109.444 108.800 -0.062 0.000 2.326 70 G HA2 -0.256 -3.492 3.960 -11.994 0.000 0.286 70 G HA3 -0.256 -3.492 3.960 -11.994 0.000 0.286 70 G C 0.333 175.213 174.900 -0.033 0.000 1.096 70 G CA 0.400 45.478 45.100 -0.036 0.000 1.003 70 G HN 0.309 nan 8.290 nan 0.000 0.503 71 N N -0.346 118.329 118.700 -0.043 0.000 2.402 71 N HA 0.091 -2.366 4.740 -11.994 0.000 0.174 71 N C 2.437 177.933 175.510 -0.023 0.000 1.027 71 N CA 0.923 53.952 53.050 -0.034 0.000 0.891 71 N CB -0.160 38.301 38.487 -0.044 0.000 1.016 71 N HN 0.416 nan 8.380 nan 0.000 0.439 72 M N 0.923 120.503 119.600 -0.033 0.000 2.064 72 M HA -0.052 -2.768 4.480 -11.994 0.000 0.260 72 M C 1.692 177.970 176.300 -0.038 0.000 1.073 72 M CA 1.644 56.917 55.300 -0.046 0.000 1.124 72 M CB -0.640 31.910 32.600 -0.083 0.000 1.326 72 M HN 0.235 nan 8.290 nan 0.000 0.410 73 E N 0.925 121.117 120.200 -0.014 0.000 3.045 73 E HA 0.182 -2.664 4.350 -11.994 0.000 0.219 73 E C -0.210 176.405 176.600 0.025 0.000 1.168 73 E CA 0.133 56.537 56.400 0.007 0.000 1.067 73 E CB 0.477 30.189 29.700 0.019 0.000 2.714 73 E HN 0.479 nan 8.360 nan 0.000 0.562 74 E N 0.505 120.739 120.200 0.057 0.000 2.537 74 E HA 0.506 -2.340 4.350 -11.994 0.000 0.301 74 E C -1.675 174.978 176.600 0.087 0.000 0.990 74 E CA -0.666 55.760 56.400 0.044 0.000 0.828 74 E CB 1.312 31.032 29.700 0.033 0.000 1.243 74 E HN 0.099 nan 8.360 nan 0.000 0.414 75 D N 0.893 121.281 120.400 -0.019 0.000 2.450 75 D HA 0.478 -2.078 4.640 -11.994 0.000 0.238 75 D C -1.284 174.737 176.300 -0.466 0.000 1.020 75 D CA -0.560 53.392 54.000 -0.080 0.000 1.010 75 D CB 1.854 42.649 40.800 -0.009 0.000 1.342 75 D HN 0.372 nan 8.370 nan 0.000 0.530 76 N N 1.283 119.481 118.700 -0.836 0.000 2.371 76 N HA 0.091 -2.365 4.740 -11.994 0.000 0.291 76 N C 0.864 176.018 175.510 -0.594 0.000 1.053 76 N CA -0.687 51.754 53.050 -1.015 0.000 0.870 76 N CB 0.953 38.231 38.487 -2.014 0.000 1.503 76 N HN 0.607 nan 8.380 nan 0.000 0.485 77 W N 4.337 125.445 121.300 -0.321 0.000 2.421 77 W HA -0.038 -2.575 4.660 -11.995 0.000 0.270 77 W C 0.503 176.998 176.519 -0.040 0.000 1.233 77 W CA 0.177 57.453 57.345 -0.114 0.000 1.226 77 W CB -0.355 29.047 29.460 -0.096 0.000 1.121 77 W HN 0.452 nan 8.180 nan 0.000 0.579 78 R N -0.517 119.426 120.500 -0.929 0.000 2.189 78 R HA -0.098 -2.954 4.340 -11.994 0.000 0.218 78 R C 2.001 178.222 176.300 -0.133 0.000 1.074 78 R CA 1.687 57.364 56.100 -0.705 0.000 0.991 78 R CB -0.507 29.307 30.300 -0.811 0.000 0.883 78 R HN 0.125 nan 8.270 nan 0.000 0.457 79 W N -0.271 120.803 121.300 -0.377 0.000 2.494 79 W HA 0.001 -2.536 4.660 -11.995 0.000 0.286 79 W C 1.971 178.515 176.519 0.042 0.000 1.218 79 W CA 0.331 57.469 57.345 -0.345 0.000 1.313 79 W CB -1.184 28.030 29.460 -0.411 0.000 1.105 79 W HN 0.279 nan 8.180 nan 0.000 0.561 80 H N -0.893 118.299 119.070 0.202 0.000 2.421 80 H HA -0.200 -2.839 4.556 -11.992 0.000 0.298 80 H C 2.077 177.531 175.328 0.209 0.000 1.087 80 H CA 1.594 57.753 56.048 0.185 0.000 1.330 80 H CB -0.326 29.535 29.762 0.165 0.000 1.388 80 H HN 0.046 nan 8.280 nan 0.000 0.526 81 F N 0.814 120.815 119.950 0.086 0.000 2.075 81 F HA -0.253 -2.922 4.527 -11.992 0.000 0.297 81 F C 2.420 178.258 175.800 0.064 0.000 1.113 81 F CA 1.700 59.724 58.000 0.040 0.000 1.218 81 F CB -1.034 38.019 39.000 0.089 0.000 0.984 81 F HN 0.131 nan 8.300 nan 0.000 0.472 82 Y N 1.281 121.609 120.300 0.046 0.000 2.207 82 Y HA -0.254 -2.898 4.550 -11.991 0.000 0.287 82 Y C 1.920 177.736 175.900 -0.140 0.000 1.156 82 Y CA 2.335 60.425 58.100 -0.017 0.000 1.182 82 Y CB -0.827 37.837 38.460 0.340 0.000 0.979 82 Y HN 0.211 nan 8.280 nan 0.000 0.521 83 D N -1.240 119.128 120.400 -0.052 0.000 2.149 83 D HA -0.126 -2.683 4.640 -11.994 0.000 0.201 83 D C 2.069 178.213 176.300 -0.259 0.000 0.972 83 D CA 1.955 55.888 54.000 -0.112 0.000 0.835 83 D CB -0.085 40.761 40.800 0.078 0.000 0.966 83 D HN 0.323 nan 8.370 nan 0.000 0.476 84 T N -0.409 113.951 114.554 -0.324 0.000 2.812 84 T HA -0.089 -2.935 4.350 -11.994 0.000 0.264 84 T C 1.999 176.425 174.700 -0.457 0.000 1.042 84 T CA 0.365 62.258 62.100 -0.346 0.000 1.140 84 T CB -0.318 68.333 68.868 -0.363 0.000 0.870 84 T HN -0.022 nan 8.240 nan 0.000 0.445 85 V N 1.109 120.622 119.914 -0.668 0.000 2.809 85 V HA -0.030 -3.106 4.120 -11.994 0.000 0.256 85 V C 2.351 177.804 176.094 -1.070 0.000 1.080 85 V CA 1.512 63.322 62.300 -0.818 0.000 1.102 85 V CB -0.354 30.846 31.823 -1.038 0.000 0.705 85 V HN 0.373 nan 8.190 nan 0.000 0.475 86 K N -0.292 119.518 120.400 -0.982 0.000 2.021 86 K HA -0.013 -2.889 4.320 -11.994 0.000 0.205 86 K C 2.080 178.299 176.600 -0.636 0.000 1.047 86 K CA 1.254 56.896 56.287 -1.076 0.000 0.943 86 K CB -0.611 31.434 32.500 -0.759 0.000 0.725 86 K HN 0.488 nan 8.250 nan 0.000 0.439 87 G N 0.585 109.185 108.800 -0.333 0.000 2.479 87 G HA2 -0.252 -3.488 3.960 -11.994 0.000 0.220 87 G HA3 -0.252 -3.488 3.960 -11.994 0.000 0.220 87 G C 1.372 176.181 174.900 -0.153 0.000 1.115 87 G CA 1.177 46.194 45.100 -0.139 0.000 0.757 87 G HN 0.496 nan 8.290 nan 0.000 0.560 88 S N -0.052 115.484 115.700 -0.274 0.000 2.603 88 S HA -0.017 -2.743 4.470 -11.994 0.000 0.229 88 S C 1.111 175.617 174.600 -0.157 0.000 0.972 88 S CA 0.916 58.992 58.200 -0.206 0.000 0.935 88 S CB -0.054 62.992 63.200 -0.256 0.000 0.769 88 S HN 0.310 nan 8.310 nan 0.000 0.536 89 D N 0.658 120.958 120.400 -0.166 0.000 2.751 89 D HA -0.207 -2.764 4.640 -11.994 0.000 0.233 89 D C -0.360 176.102 176.300 0.270 0.000 1.149 89 D CA 1.020 55.085 54.000 0.109 0.000 0.682 89 D CB -1.898 39.006 40.800 0.174 0.000 1.068 89 D HN 0.740 nan 8.370 nan 0.000 0.429 90 W N -2.496 118.754 121.300 -0.083 0.000 4.233 90 W HA -0.333 -2.875 4.660 -12.004 0.000 0.328 90 W C 1.412 177.882 176.519 -0.081 0.000 1.212 90 W CA 0.663 57.952 57.345 -0.093 0.000 0.752 90 W CB -2.052 27.331 29.460 -0.128 0.000 2.277 90 W HN 0.319 nan 8.180 nan 0.000 1.465 91 L N 0.333 121.567 121.223 0.017 0.000 2.529 91 L HA 0.365 -2.491 4.340 -11.994 0.000 0.223 91 L C 1.687 178.524 176.870 -0.054 0.000 1.113 91 L CA 1.486 56.270 54.840 -0.093 0.000 0.861 91 L CB -0.149 41.787 42.059 -0.205 0.000 1.012 91 L HN -0.046 nan 8.230 nan 0.000 0.461 92 G N 0.136 108.907 108.800 -0.048 0.000 2.378 92 G HA2 0.096 -3.140 3.960 -11.994 0.000 0.255 92 G HA3 0.096 -3.140 3.960 -11.994 0.000 0.255 92 G C -0.789 174.152 174.900 0.069 0.000 1.270 92 G CA -0.460 44.635 45.100 -0.009 0.000 0.876 92 G HN 0.137 nan 8.290 nan 0.000 0.521 93 D N 2.383 122.869 120.400 0.144 0.000 2.338 93 D HA 0.046 -2.510 4.640 -11.994 0.000 0.255 93 D C 1.381 177.782 176.300 0.168 0.000 1.237 93 D CA 0.215 54.320 54.000 0.174 0.000 0.883 93 D CB 1.503 42.402 40.800 0.164 0.000 1.087 93 D HN 0.514 nan 8.370 nan 0.000 0.485 94 Q N 1.322 121.242 119.800 0.199 0.000 2.369 94 Q HA -0.120 -2.976 4.340 -11.994 0.000 0.206 94 Q C 1.317 177.524 176.000 0.346 0.000 0.963 94 Q CA 0.678 56.674 55.803 0.320 0.000 0.894 94 Q CB 0.261 29.227 28.738 0.379 0.000 0.965 94 Q HN 0.519 nan 8.270 nan 0.000 0.475 95 D N 0.652 121.169 120.400 0.194 0.000 2.149 95 D HA -0.129 -2.685 4.640 -11.994 0.000 0.201 95 D C 1.656 178.054 176.300 0.162 0.000 0.972 95 D CA 1.314 55.352 54.000 0.062 0.000 0.835 95 D CB -0.099 40.645 40.800 -0.093 0.000 0.966 95 D HN 0.156 nan 8.370 nan 0.000 0.476 96 A N 0.919 123.909 122.820 0.282 0.000 1.898 96 A HA 0.068 -2.808 4.320 -11.994 0.000 0.214 96 A C 2.550 180.425 177.584 0.484 0.000 1.183 96 A CA 0.841 53.157 52.037 0.465 0.000 0.622 96 A CB -0.642 18.579 19.000 0.369 0.000 0.824 96 A HN 0.250 nan 8.150 nan 0.000 0.444 97 I N -1.141 119.657 120.570 0.379 0.000 2.226 97 I HA -0.273 -3.299 4.170 -11.994 0.000 0.245 97 I C 2.452 178.881 176.117 0.519 0.000 1.100 97 I CA 1.817 63.333 61.300 0.360 0.000 1.374 97 I CB -0.718 37.415 38.000 0.220 0.000 1.057 97 I HN 0.576 nan 8.210 nan 0.000 0.413 98 H N 0.349 119.687 119.070 0.446 0.000 2.265 98 H HA -0.331 -2.972 4.556 -11.995 0.000 0.295 98 H C 2.396 177.838 175.328 0.190 0.000 1.084 98 H CA 2.364 58.556 56.048 0.241 0.000 1.261 98 H CB -0.277 29.516 29.762 0.052 0.000 1.360 98 H HN 0.353 nan 8.280 nan 0.000 0.487 99 Y N 0.171 120.651 120.300 0.301 0.000 2.207 99 Y HA -0.286 -2.933 4.550 -11.995 0.000 0.287 99 Y C 2.772 178.663 175.900 -0.016 0.000 1.156 99 Y CA 1.848 60.022 58.100 0.124 0.000 1.182 99 Y CB -0.145 38.408 38.460 0.154 0.000 0.979 99 Y HN 0.315 nan 8.280 nan 0.000 0.521 100 M N -0.377 119.222 119.600 -0.001 0.000 2.156 100 M HA -0.165 -2.881 4.480 -11.994 0.000 0.264 100 M C 2.113 178.359 176.300 -0.090 0.000 1.067 100 M CA 2.217 57.416 55.300 -0.168 0.000 1.131 100 M CB -0.287 32.308 32.600 -0.009 0.000 1.368 100 M HN 0.458 nan 8.290 nan 0.000 0.416 101 T N -2.463 112.137 114.554 0.078 0.000 2.904 101 T HA -0.141 -2.987 4.350 -11.994 0.000 0.267 101 T C 1.591 176.281 174.700 -0.017 0.000 1.059 101 T CA 1.476 63.721 62.100 0.241 0.000 1.137 101 T CB -0.396 68.755 68.868 0.472 0.000 0.879 101 T HN 0.556 nan 8.240 nan 0.000 0.467 102 E N 0.611 120.538 120.200 -0.455 0.000 2.112 102 E HA -0.106 -2.953 4.350 -11.994 0.000 0.190 102 E C 2.299 178.491 176.600 -0.680 0.000 0.979 102 E CA 0.510 56.248 56.400 -1.104 0.000 0.814 102 E CB -0.043 28.857 29.700 -1.333 0.000 0.762 102 E HN 0.446 nan 8.360 nan 0.000 0.460 103 Q N 0.297 119.755 119.800 -0.570 0.000 2.436 103 Q HA 0.029 -2.828 4.340 -11.994 0.000 0.209 103 Q C 1.481 177.280 176.000 -0.335 0.000 0.965 103 Q CA 0.995 56.492 55.803 -0.509 0.000 0.910 103 Q CB -0.097 28.194 28.738 -0.746 0.000 0.980 103 Q HN 0.333 nan 8.270 nan 0.000 0.491 104 A N 1.171 123.834 122.820 -0.262 0.000 1.851 104 A HA -0.128 -3.004 4.320 -11.994 0.000 0.216 104 A C -0.398 177.087 177.584 -0.165 0.000 1.195 104 A CA 1.556 53.499 52.037 -0.156 0.000 0.622 104 A CB -1.657 17.306 19.000 -0.062 0.000 0.831 104 A HN 0.439 nan 8.150 nan 0.000 0.444 105 P HA -0.026 nan 4.420 nan 0.000 0.217 105 P C 1.600 178.802 177.300 -0.164 0.000 1.151 105 P CA 1.713 64.713 63.100 -0.167 0.000 0.828 105 P CB -0.123 31.482 31.700 -0.160 0.000 0.788 106 A N -0.847 121.860 122.820 -0.188 0.000 2.015 106 A HA -0.116 -2.992 4.320 -11.994 0.000 0.219 106 A C 2.316 179.813 177.584 -0.144 0.000 1.163 106 A CA 1.894 53.830 52.037 -0.168 0.000 0.646 106 A CB -1.332 17.552 19.000 -0.194 0.000 0.806 106 A HN 0.119 nan 8.150 nan 0.000 0.448 107 S N -1.197 114.419 115.700 -0.141 0.000 2.458 107 S HA 0.032 -2.694 4.470 -11.994 0.000 0.223 107 S C 1.751 176.318 174.600 -0.056 0.000 1.019 107 S CA 0.883 59.027 58.200 -0.093 0.000 0.937 107 S CB 0.053 63.200 63.200 -0.089 0.000 0.788 107 S HN 0.318 nan 8.310 nan 0.000 0.511 108 V N 1.006 120.875 119.914 -0.075 0.000 2.379 108 V HA -0.026 -3.102 4.120 -11.994 0.000 0.243 108 V C 2.205 178.258 176.094 -0.068 0.000 1.035 108 V CA 1.094 63.364 62.300 -0.050 0.000 1.035 108 V CB -0.455 31.291 31.823 -0.129 0.000 0.673 108 V HN 0.293 nan 8.190 nan 0.000 0.457 109 V N 0.194 120.037 119.914 -0.118 0.000 2.568 109 V HA -0.291 -3.367 4.120 -11.994 0.000 0.253 109 V C 2.416 178.429 176.094 -0.135 0.000 1.072 109 V CA 2.225 64.457 62.300 -0.112 0.000 1.084 109 V CB -0.550 31.205 31.823 -0.113 0.000 0.676 109 V HN 0.658 nan 8.190 nan 0.000 0.469 110 E N -0.045 120.044 120.200 -0.185 0.000 2.077 110 E HA -0.219 -3.066 4.350 -11.994 0.000 0.193 110 E C 2.186 178.421 176.600 -0.609 0.000 0.989 110 E CA 1.325 57.495 56.400 -0.383 0.000 0.800 110 E CB -0.077 29.454 29.700 -0.281 0.000 0.746 110 E HN 0.573 nan 8.360 nan 0.000 0.452 111 L N 0.733 121.844 121.223 -0.187 0.000 2.072 111 L HA -0.117 -2.973 4.340 -11.994 0.000 0.205 111 L C 2.747 179.716 176.870 0.164 0.000 1.079 111 L CA 0.880 55.759 54.840 0.065 0.000 0.752 111 L CB -0.313 41.901 42.059 0.259 0.000 0.906 111 L HN 0.155 nan 8.230 nan 0.000 0.436 112 E N 0.710 121.057 120.200 0.244 0.000 2.110 112 E HA -0.207 -3.054 4.350 -11.994 0.000 0.193 112 E C 1.646 178.321 176.600 0.125 0.000 0.988 112 E CA 1.245 57.823 56.400 0.298 0.000 0.804 112 E CB -0.017 29.840 29.700 0.262 0.000 0.745 112 E HN 0.447 nan 8.360 nan 0.000 0.458 113 N N -0.417 118.287 118.700 0.007 0.000 2.459 113 N HA -0.089 -2.546 4.740 -11.994 0.000 0.181 113 N C 1.403 176.965 175.510 0.088 0.000 1.046 113 N CA 0.622 53.670 53.050 -0.003 0.000 0.904 113 N CB -0.333 38.111 38.487 -0.072 0.000 0.964 113 N HN 0.383 nan 8.380 nan 0.000 0.444 114 Y N -1.033 119.310 120.300 0.071 0.000 2.395 114 Y HA 0.093 -2.554 4.550 -11.994 0.000 0.293 114 Y C 1.684 177.594 175.900 0.016 0.000 1.123 114 Y CA 0.284 58.406 58.100 0.037 0.000 1.227 114 Y CB 0.405 38.886 38.460 0.036 0.000 1.012 114 Y HN 0.184 nan 8.280 nan 0.000 0.552 115 G N -0.031 108.877 108.800 0.179 0.000 2.234 115 G HA2 -0.211 -3.447 3.960 -11.994 0.000 0.153 115 G HA3 -0.211 -3.447 3.960 -11.994 0.000 0.153 115 G C 0.027 174.952 174.900 0.042 0.000 1.013 115 G CA -0.487 44.670 45.100 0.096 0.000 0.712 115 G HN 0.138 nan 8.290 nan 0.000 0.491 116 M N 2.977 122.584 119.600 0.012 0.000 2.390 116 M HA 0.282 -2.434 4.480 -11.994 0.000 0.353 116 M C -1.598 174.551 176.300 -0.252 0.000 1.623 116 M CA -1.008 54.172 55.300 -0.200 0.000 1.065 116 M CB 0.549 32.898 32.600 -0.419 0.000 2.025 116 M HN -0.024 nan 8.290 nan 0.000 0.461 117 P HA 0.052 nan 4.420 nan 0.000 0.235 117 P C -0.988 176.272 177.300 -0.066 0.000 1.765 117 P CA 0.063 63.118 63.100 -0.075 0.000 1.034 117 P CB -0.852 30.821 31.700 -0.045 0.000 1.984 118 F N 0.615 120.597 119.950 0.054 0.000 2.563 118 F HA -0.008 -2.678 4.527 -11.994 0.000 0.363 118 F C 1.571 177.411 175.800 0.066 0.000 1.123 118 F CA 0.705 58.744 58.000 0.066 0.000 1.307 118 F CB 0.026 39.063 39.000 0.062 0.000 1.115 118 F HN 0.070 nan 8.300 nan 0.000 0.592 119 S N 4.212 120.093 115.700 0.302 0.000 2.568 119 S HA 0.298 -2.428 4.470 -11.994 0.000 0.282 119 S C 0.264 174.978 174.600 0.189 0.000 1.338 119 S CA -0.705 57.599 58.200 0.173 0.000 1.045 119 S CB 0.463 63.734 63.200 0.119 0.000 0.873 119 S HN 0.343 nan 8.310 nan 0.000 0.516 120 R N 1.002 121.553 120.500 0.084 0.000 2.873 120 R HA 0.641 -2.216 4.340 -11.994 0.000 0.264 120 R C 0.357 176.692 176.300 0.058 0.000 1.026 120 R CA -0.621 55.532 56.100 0.088 0.000 1.002 120 R CB 1.237 31.574 30.300 0.061 0.000 1.174 120 R HN 0.815 nan 8.270 nan 0.000 0.488 121 T N -2.430 112.171 114.554 0.078 0.000 2.768 121 T HA 0.208 -2.638 4.350 -11.994 0.000 0.268 121 T C 1.035 175.757 174.700 0.037 0.000 0.969 121 T CA -0.632 61.510 62.100 0.070 0.000 1.008 121 T CB 0.825 69.757 68.868 0.107 0.000 1.371 121 T HN 0.405 nan 8.240 nan 0.000 0.587 122 E N 0.639 120.857 120.200 0.032 0.000 2.106 122 E HA -0.114 -2.960 4.350 -11.994 0.000 0.192 122 E C 1.516 178.126 176.600 0.017 0.000 0.984 122 E CA 1.504 57.916 56.400 0.019 0.000 0.806 122 E CB -0.683 29.026 29.700 0.015 0.000 0.750 122 E HN 0.578 nan 8.360 nan 0.000 0.458 123 D N -0.757 119.655 120.400 0.020 0.000 2.178 123 D HA -0.025 -2.581 4.640 -11.994 0.000 0.202 123 D C 1.136 177.446 176.300 0.016 0.000 0.974 123 D CA 1.572 55.581 54.000 0.015 0.000 0.841 123 D CB -0.106 40.701 40.800 0.011 0.000 0.953 123 D HN 0.379 nan 8.370 nan 0.000 0.478 124 G N 0.390 109.205 108.800 0.024 0.000 2.135 124 G HA2 -0.222 -3.458 3.960 -11.994 0.000 0.183 124 G HA3 -0.222 -3.458 3.960 -11.994 0.000 0.183 124 G C 0.135 175.054 174.900 0.031 0.000 1.004 124 G CA -0.233 44.884 45.100 0.028 0.000 0.677 124 G HN 0.284 nan 8.290 nan 0.000 0.512 125 K N -0.467 119.951 120.400 0.031 0.000 2.185 125 K HA 0.679 -2.197 4.320 -11.994 0.000 0.240 125 K C 0.778 177.396 176.600 0.031 0.000 0.983 125 K CA -1.136 55.160 56.287 0.015 0.000 0.873 125 K CB 1.505 34.001 32.500 -0.006 0.000 1.118 125 K HN 0.160 nan 8.250 nan 0.000 0.441 126 I N 2.469 123.022 120.570 -0.029 0.000 2.742 126 I HA -0.136 -3.162 4.170 -11.994 0.000 0.287 126 I C -0.026 176.093 176.117 0.004 0.000 1.186 126 I CA 0.195 61.455 61.300 -0.067 0.000 1.417 126 I CB -0.169 37.607 38.000 -0.373 0.000 1.377 126 I HN 0.455 nan 8.210 nan 0.000 0.556 127 Y N 7.916 128.209 120.300 -0.011 0.000 2.531 127 Y HA 0.151 -2.496 4.550 -11.993 0.000 0.347 127 Y C 0.195 176.105 175.900 0.016 0.000 1.024 127 Y CA -0.167 57.943 58.100 0.017 0.000 1.306 127 Y CB 0.158 38.652 38.460 0.057 0.000 1.149 127 Y HN 0.532 nan 8.280 nan 0.000 0.527 128 Q N 4.558 124.083 119.800 -0.458 0.000 2.193 128 Q HA 0.642 -2.214 4.340 -11.994 0.000 0.246 128 Q C -0.823 174.785 176.000 -0.653 0.000 0.959 128 Q CA -1.112 54.438 55.803 -0.421 0.000 0.904 128 Q CB 1.663 30.277 28.738 -0.208 0.000 1.238 128 Q HN 0.596 nan 8.270 nan 0.000 0.469 129 R N -0.434 119.888 120.500 -0.297 0.000 2.663 129 R HA 0.541 -2.315 4.340 -11.994 0.000 0.267 129 R C -1.796 174.556 176.300 0.086 0.000 1.038 129 R CA -0.378 55.660 56.100 -0.103 0.000 0.886 129 R CB 1.404 31.645 30.300 -0.098 0.000 1.249 129 R HN 0.773 nan 8.270 nan 0.000 0.463 130 A N 2.370 125.249 122.820 0.099 0.000 2.561 130 A HA 0.398 -2.478 4.320 -11.994 0.000 0.234 130 A C -0.803 176.842 177.584 0.102 0.000 1.055 130 A CA 0.834 52.828 52.037 -0.070 0.000 0.756 130 A CB -0.174 18.696 19.000 -0.217 0.000 0.986 130 A HN 0.485 nan 8.150 nan 0.000 0.505 131 F N -0.558 119.326 119.950 -0.110 0.000 2.711 131 F HA 0.538 -2.132 4.527 -11.995 0.000 0.313 131 F C 0.917 176.662 175.800 -0.091 0.000 1.141 131 F CA 0.008 57.966 58.000 -0.070 0.000 0.941 131 F CB 1.473 40.450 39.000 -0.039 0.000 1.349 131 F HN 0.785 nan 8.300 nan 0.000 0.464 132 G N 1.108 109.914 108.800 0.010 0.000 2.239 132 G HA2 0.374 -2.862 3.960 -11.994 0.000 0.278 132 G HA3 0.374 -2.862 3.960 -11.994 0.000 0.278 132 G C 0.677 175.536 174.900 -0.069 0.000 1.071 132 G CA 0.538 45.592 45.100 -0.077 0.000 1.198 132 G HN 1.641 nan 8.290 nan 0.000 0.410 133 G N 1.610 110.318 108.800 -0.154 0.000 2.289 133 G HA2 -0.208 -3.444 3.960 -11.994 0.000 0.280 133 G HA3 -0.208 -3.444 3.960 -11.994 0.000 0.280 133 G C -0.007 174.860 174.900 -0.056 0.000 1.089 133 G CA 0.234 45.201 45.100 -0.221 0.000 0.939 133 G HN 0.905 nan 8.290 nan 0.000 0.499 134 Q N -0.236 119.563 119.800 -0.002 0.000 2.337 134 Q HA 0.676 -2.180 4.340 -11.994 0.000 0.270 134 Q C -0.170 175.853 176.000 0.039 0.000 1.043 134 Q CA -0.217 55.618 55.803 0.054 0.000 0.794 134 Q CB 2.223 31.009 28.738 0.081 0.000 1.281 134 Q HN 0.719 nan 8.270 nan 0.000 0.446 135 S N 1.718 117.465 115.700 0.079 0.000 2.549 135 S HA 0.679 -2.047 4.470 -11.994 0.000 0.280 135 S C -0.645 173.933 174.600 -0.036 0.000 1.109 135 S CA -0.873 57.345 58.200 0.030 0.000 0.905 135 S CB 1.055 64.297 63.200 0.070 0.000 1.081 135 S HN 0.476 nan 8.310 nan 0.000 0.477 136 L N 1.835 122.963 121.223 -0.160 0.000 2.439 136 L HA 0.505 -2.351 4.340 -11.994 0.000 0.259 136 L C 0.558 176.868 176.870 -0.933 0.000 1.129 136 L CA -0.911 53.647 54.840 -0.469 0.000 0.803 136 L CB 0.193 42.058 42.059 -0.323 0.000 1.161 136 L HN 0.891 nan 8.230 nan 0.000 0.462 137 K N 2.108 121.222 120.400 -2.143 0.000 3.156 137 K HA -0.246 -3.122 4.320 -11.994 0.000 0.266 137 K C -0.707 175.381 176.600 -0.853 0.000 0.966 137 K CA 0.439 55.719 56.287 -1.679 0.000 0.719 137 K CB -1.492 30.549 32.500 -0.765 0.000 1.333 137 K HN 0.504 nan 8.250 nan 0.000 0.468 138 F N -0.935 118.475 119.950 -0.900 0.000 2.983 138 F HA -0.251 -2.921 4.527 -11.995 0.000 0.288 138 F C 1.191 176.613 175.800 -0.630 0.000 0.980 138 F CA 1.220 58.829 58.000 -0.652 0.000 0.965 138 F CB -1.982 36.660 39.000 -0.597 0.000 0.967 138 F HN 0.549 nan 8.300 nan 0.000 0.800 139 G N -0.036 108.673 108.800 -0.153 0.000 2.221 139 G HA2 -0.328 -3.565 3.960 -11.994 0.000 0.265 139 G HA3 -0.328 -3.565 3.960 -11.994 0.000 0.265 139 G C 0.943 175.826 174.900 -0.028 0.000 1.041 139 G CA 0.602 45.739 45.100 0.061 0.000 0.807 139 G HN 0.502 nan 8.290 nan 0.000 0.502 140 K N -1.215 119.108 120.400 -0.129 0.000 2.550 140 K HA 0.159 -2.717 4.320 -11.994 0.000 0.205 140 K C 1.772 178.301 176.600 -0.119 0.000 1.429 140 K CA 0.627 56.850 56.287 -0.106 0.000 0.997 140 K CB 0.544 32.974 32.500 -0.116 0.000 1.328 140 K HN 0.463 nan 8.250 nan 0.000 0.546 141 G N 1.594 110.275 108.800 -0.198 0.000 3.782 141 G HA2 0.430 -2.807 3.960 -11.994 0.000 0.288 141 G HA3 0.430 -2.807 3.960 -11.994 0.000 0.288 141 G C 0.610 175.444 174.900 -0.109 0.000 1.300 141 G CA 0.354 45.349 45.100 -0.175 0.000 1.261 141 G HN 0.366 nan 8.290 nan 0.000 0.591 142 G N 0.143 108.906 108.800 -0.062 0.000 2.598 142 G HA2 -0.177 -3.413 3.960 -11.994 0.000 0.244 142 G HA3 -0.177 -3.413 3.960 -11.994 0.000 0.244 142 G C 0.014 174.902 174.900 -0.020 0.000 1.302 142 G CA 0.021 45.109 45.100 -0.020 0.000 0.903 142 G HN 0.860 nan 8.290 nan 0.000 0.575 143 Q N 0.507 120.301 119.800 -0.009 0.000 2.314 143 Q HA 0.645 -2.212 4.340 -11.994 0.000 0.258 143 Q C 0.352 176.285 176.000 -0.111 0.000 0.954 143 Q CA 0.827 56.583 55.803 -0.079 0.000 0.890 143 Q CB 0.932 29.595 28.738 -0.125 0.000 1.210 143 Q HN 1.706 nan 8.270 nan 0.000 0.410 144 A N 4.062 126.790 122.820 -0.153 0.000 2.312 144 A HA 0.562 -2.314 4.320 -11.994 0.000 0.326 144 A C -1.356 176.080 177.584 -0.247 0.000 1.172 144 A CA -0.615 51.384 52.037 -0.064 0.000 0.821 144 A CB 0.499 19.527 19.000 0.046 0.000 1.166 144 A HN 0.926 nan 8.150 nan 0.000 0.493 145 H N 1.037 120.120 119.070 0.022 0.000 2.645 145 H HA 0.432 -2.208 4.556 -11.993 0.000 0.257 145 H C 0.574 175.870 175.328 -0.053 0.000 1.269 145 H CA -0.313 55.726 56.048 -0.015 0.000 1.409 145 H CB 0.502 30.241 29.762 -0.037 0.000 1.434 145 H HN 0.697 nan 8.280 nan 0.000 0.505 146 R N 0.035 120.540 120.500 0.009 0.000 2.566 146 R HA 0.252 -2.604 4.340 -11.994 0.000 0.388 146 R C -0.505 175.719 176.300 -0.126 0.000 0.989 146 R CA -0.279 55.780 56.100 -0.069 0.000 1.164 146 R CB -0.341 29.905 30.300 -0.090 0.000 1.459 146 R HN 0.347 nan 8.270 nan 0.000 0.553 147 C N 2.945 122.186 119.300 -0.098 0.000 2.289 147 C HA 0.459 -2.278 4.460 -11.994 0.000 0.340 147 C C 0.695 175.611 174.990 -0.122 0.000 1.152 147 C CA -0.690 58.245 59.018 -0.139 0.000 1.650 147 C CB -1.396 26.252 27.740 -0.153 0.000 2.203 147 C HN 0.677 nan 8.230 nan 0.000 0.511 148 C N 5.502 124.728 119.300 -0.123 0.000 2.653 148 C HA 0.525 -2.211 4.460 -11.994 0.000 0.421 148 C C 0.785 175.848 174.990 0.122 0.000 1.334 148 C CA -0.464 58.502 59.018 -0.086 0.000 1.885 148 C CB -1.945 25.642 27.740 -0.255 0.000 2.645 148 C HN 1.003 nan 8.230 nan 0.000 0.601 149 C N 1.420 120.888 119.300 0.281 0.000 2.891 149 C HA 0.620 -2.117 4.460 -11.994 0.000 0.342 149 C C -0.650 174.580 174.990 0.400 0.000 1.126 149 C CA -0.737 58.483 59.018 0.337 0.000 1.322 149 C CB -0.110 27.782 27.740 0.252 0.000 1.763 149 C HN 0.625 nan 8.230 nan 0.000 0.491 150 V N 3.456 123.508 119.914 0.229 0.000 2.223 150 V HA 0.463 -2.613 4.120 -11.994 0.000 0.249 150 V C 1.410 177.561 176.094 0.095 0.000 1.233 150 V CA 0.999 63.357 62.300 0.097 0.000 1.131 150 V CB -0.339 31.436 31.823 -0.080 0.000 1.298 150 V HN 1.816 nan 8.190 nan 0.000 0.498 151 A N 3.990 126.888 122.820 0.131 0.000 1.617 151 A HA -0.226 -3.102 4.320 -11.994 0.000 0.240 151 A C 1.469 179.094 177.584 0.069 0.000 1.149 151 A CA 1.202 53.295 52.037 0.093 0.000 0.833 151 A CB -1.185 17.832 19.000 0.029 0.000 1.132 151 A HN 1.201 nan 8.150 nan 0.000 0.275 152 D N -1.043 119.417 120.400 0.101 0.000 2.554 152 D HA -0.226 -2.782 4.640 -11.994 0.000 0.178 152 D C 0.519 176.849 176.300 0.050 0.000 1.054 152 D CA 2.438 56.486 54.000 0.080 0.000 1.052 152 D CB -0.726 40.107 40.800 0.056 0.000 1.112 152 D HN 0.901 nan 8.370 nan 0.000 0.448 153 R N -0.442 120.076 120.500 0.030 0.000 2.983 153 R HA 0.345 -2.512 4.340 -11.994 0.000 0.300 153 R C 1.413 177.742 176.300 0.049 0.000 1.367 153 R CA 0.586 56.693 56.100 0.013 0.000 1.564 153 R CB 0.552 30.800 30.300 -0.086 0.000 1.314 153 R HN 0.306 nan 8.270 nan 0.000 0.622 154 T N -3.772 110.822 114.554 0.065 0.000 2.852 154 T HA -0.020 -2.866 4.350 -11.994 0.000 0.256 154 T C 1.990 176.723 174.700 0.054 0.000 1.038 154 T CA 1.103 63.236 62.100 0.055 0.000 1.141 154 T CB 0.050 68.973 68.868 0.091 0.000 0.869 154 T HN 0.367 nan 8.240 nan 0.000 0.439 155 G N 0.456 109.300 108.800 0.074 0.000 2.471 155 G HA2 -0.193 -3.429 3.960 -11.994 0.000 0.219 155 G HA3 -0.193 -3.429 3.960 -11.994 0.000 0.219 155 G C 1.555 176.502 174.900 0.079 0.000 1.125 155 G CA 0.696 45.839 45.100 0.072 0.000 0.775 155 G HN 0.672 nan 8.290 nan 0.000 0.548 156 H N 1.027 120.095 119.070 -0.003 0.000 2.293 156 H HA -0.033 -2.673 4.556 -11.994 0.000 0.300 156 H C 2.525 177.845 175.328 -0.014 0.000 1.082 156 H CA 1.729 57.769 56.048 -0.013 0.000 1.308 156 H CB -0.146 29.569 29.762 -0.078 0.000 1.375 156 H HN 0.299 nan 8.280 nan 0.000 0.495 157 S N 0.716 116.456 115.700 0.068 0.000 2.383 157 S HA -0.105 -2.831 4.470 -11.994 0.000 0.227 157 S C 2.285 176.874 174.600 -0.018 0.000 1.026 157 S CA 0.860 59.055 58.200 -0.009 0.000 0.981 157 S CB -0.300 62.857 63.200 -0.072 0.000 0.818 157 S HN 0.313 nan 8.310 nan 0.000 0.472 158 L N 1.226 122.445 121.223 -0.007 0.000 2.012 158 L HA -0.068 -2.924 4.340 -11.994 0.000 0.210 158 L C 2.091 178.997 176.870 0.060 0.000 1.073 158 L CA 1.490 56.350 54.840 0.033 0.000 0.748 158 L CB -0.434 41.663 42.059 0.063 0.000 0.891 158 L HN 0.256 nan 8.230 nan 0.000 0.431 159 L N -1.209 120.042 121.223 0.046 0.000 2.072 159 L HA -0.194 -3.050 4.340 -11.994 0.000 0.205 159 L C 2.512 179.390 176.870 0.012 0.000 1.079 159 L CA 1.746 56.602 54.840 0.027 0.000 0.752 159 L CB -0.873 41.184 42.059 -0.004 0.000 0.906 159 L HN 0.394 nan 8.230 nan 0.000 0.436 160 H N -1.177 117.816 119.070 -0.128 0.000 2.326 160 H HA -0.107 -2.748 4.556 -11.994 0.000 0.301 160 H C 1.960 177.276 175.328 -0.019 0.000 1.081 160 H CA 2.074 58.064 56.048 -0.097 0.000 1.334 160 H CB -0.021 29.636 29.762 -0.176 0.000 1.385 160 H HN 0.489 nan 8.280 nan 0.000 0.504 161 T N -0.684 113.924 114.554 0.089 0.000 2.951 161 T HA -0.038 -2.884 4.350 -11.994 0.000 0.268 161 T C 2.259 176.938 174.700 -0.035 0.000 1.073 161 T CA 0.419 62.541 62.100 0.037 0.000 1.134 161 T CB -0.433 68.465 68.868 0.051 0.000 0.884 161 T HN 0.137 nan 8.240 nan 0.000 0.479 162 L N -0.800 120.419 121.223 -0.007 0.000 2.023 162 L HA 0.055 -2.801 4.340 -11.994 0.000 0.205 162 L C 2.584 179.337 176.870 -0.195 0.000 1.073 162 L CA 1.636 56.426 54.840 -0.084 0.000 0.745 162 L CB -0.612 41.505 42.059 0.095 0.000 0.900 162 L HN 0.199 nan 8.230 nan 0.000 0.435 163 Y N 0.787 120.960 120.300 -0.212 0.000 2.165 163 Y HA -0.215 -2.861 4.550 -11.994 0.000 0.286 163 Y C 2.278 178.012 175.900 -0.277 0.000 1.155 163 Y CA 1.638 59.574 58.100 -0.273 0.000 1.164 163 Y CB -0.650 37.609 38.460 -0.335 0.000 0.978 163 Y HN 0.103 nan 8.280 nan 0.000 0.513 164 G N 0.282 108.988 108.800 -0.156 0.000 2.446 164 G HA2 -0.285 -3.521 3.960 -11.994 0.000 0.217 164 G HA3 -0.285 -3.521 3.960 -11.994 0.000 0.217 164 G C 1.829 176.536 174.900 -0.321 0.000 1.168 164 G CA 0.777 45.758 45.100 -0.199 0.000 0.771 164 G HN 0.271 nan 8.290 nan 0.000 0.551 165 R N 0.856 121.117 120.500 -0.397 0.000 2.276 165 R HA -0.009 -2.865 4.340 -11.994 0.000 0.203 165 R C 2.782 178.717 176.300 -0.609 0.000 1.017 165 R CA 1.241 57.014 56.100 -0.545 0.000 1.010 165 R CB -0.232 29.575 30.300 -0.822 0.000 0.900 165 R HN 0.538 nan 8.270 nan 0.000 0.469 166 S N -0.366 114.990 115.700 -0.572 0.000 2.436 166 S HA -0.023 -2.749 4.470 -11.994 0.000 0.228 166 S C 1.703 176.199 174.600 -0.173 0.000 1.014 166 S CA 0.211 58.209 58.200 -0.337 0.000 0.950 166 S CB -0.020 63.032 63.200 -0.247 0.000 0.784 166 S HN 0.102 nan 8.310 nan 0.000 0.504 167 L N 1.375 122.385 121.223 -0.354 0.000 2.622 167 L HA 0.272 -2.584 4.340 -11.994 0.000 0.233 167 L C 2.274 179.023 176.870 -0.200 0.000 1.156 167 L CA 0.984 55.666 54.840 -0.265 0.000 0.866 167 L CB -1.502 40.365 42.059 -0.321 0.000 0.980 167 L HN 0.402 nan 8.230 nan 0.000 0.448 168 R N -1.308 119.020 120.500 -0.285 0.000 2.320 168 R HA 0.065 -2.791 4.340 -11.994 0.000 0.211 168 R C -0.599 175.302 176.300 -0.665 0.000 0.931 168 R CA 0.121 55.943 56.100 -0.463 0.000 1.071 168 R CB 0.237 30.180 30.300 -0.596 0.000 1.025 168 R HN 0.145 nan 8.270 nan 0.000 0.495 169 Y N -1.476 118.807 120.300 -0.029 0.000 2.609 169 Y HA 0.122 -2.524 4.550 -11.993 0.000 0.342 169 Y C 0.033 175.958 175.900 0.042 0.000 1.058 169 Y CA -1.573 56.544 58.100 0.029 0.000 1.055 169 Y CB 1.199 39.708 38.460 0.081 0.000 1.292 169 Y HN 0.046 nan 8.280 nan 0.000 0.476 170 D N -0.442 120.092 120.400 0.223 0.000 2.870 170 D HA 0.053 -2.504 4.640 -11.994 0.000 0.241 170 D C -0.424 175.942 176.300 0.109 0.000 1.234 170 D CA -0.127 53.954 54.000 0.134 0.000 0.844 170 D CB -0.815 40.048 40.800 0.105 0.000 1.051 170 D HN 0.344 nan 8.370 nan 0.000 0.469 171 T N 0.059 114.669 114.554 0.095 0.000 2.907 171 T HA 0.285 -2.561 4.350 -11.994 0.000 0.298 171 T C 0.333 174.902 174.700 -0.219 0.000 1.017 171 T CA -0.416 61.615 62.100 -0.115 0.000 1.118 171 T CB 1.214 69.912 68.868 -0.283 0.000 0.948 171 T HN 0.026 nan 8.240 nan 0.000 0.531 172 S N 1.767 117.282 115.700 -0.309 0.000 2.499 172 S HA 0.435 -2.291 4.470 -11.994 0.000 0.279 172 S C -1.023 173.247 174.600 -0.550 0.000 1.219 172 S CA -0.640 57.392 58.200 -0.281 0.000 1.062 172 S CB 0.145 63.301 63.200 -0.074 0.000 0.978 172 S HN 0.563 nan 8.310 nan 0.000 0.489 173 Y N 1.319 121.487 120.300 -0.221 0.000 2.326 173 Y HA 0.399 -2.247 4.550 -11.994 0.000 0.331 173 Y C -0.537 175.180 175.900 -0.306 0.000 0.962 173 Y CA -0.921 57.077 58.100 -0.170 0.000 1.167 173 Y CB 0.653 39.067 38.460 -0.076 0.000 1.148 173 Y HN 0.588 nan 8.280 nan 0.000 0.463 174 F N 3.331 123.170 119.950 -0.185 0.000 2.499 174 F HA 0.272 -2.397 4.527 -11.994 0.000 0.353 174 F C 0.057 175.851 175.800 -0.010 0.000 1.196 174 F CA -0.742 57.008 58.000 -0.417 0.000 1.244 174 F CB -0.013 38.451 39.000 -0.893 0.000 1.577 174 F HN 0.148 nan 8.300 nan 0.000 0.614 175 V N 2.438 122.505 119.914 0.255 0.000 2.521 175 V HA 0.013 -3.063 4.120 -11.994 0.000 0.286 175 V C 0.469 176.831 176.094 0.448 0.000 1.034 175 V CA -0.659 61.839 62.300 0.331 0.000 1.045 175 V CB 0.235 32.247 31.823 0.315 0.000 0.974 175 V HN 0.728 nan 8.190 nan 0.000 0.480 176 E N 2.958 123.362 120.200 0.340 0.000 2.257 176 E HA -0.218 -3.064 4.350 -11.994 0.000 0.217 176 E C -1.336 175.352 176.600 0.146 0.000 1.248 176 E CA 0.389 56.914 56.400 0.208 0.000 0.691 176 E CB -1.013 28.788 29.700 0.169 0.000 1.185 176 E HN 0.688 nan 8.360 nan 0.000 0.377 177 Y N 0.275 120.619 120.300 0.074 0.000 2.426 177 Y HA 0.309 -2.338 4.550 -11.994 0.000 0.325 177 Y C -0.133 175.800 175.900 0.054 0.000 0.989 177 Y CA -1.079 57.061 58.100 0.067 0.000 1.284 177 Y CB 0.807 39.306 38.460 0.065 0.000 1.104 177 Y HN 0.263 nan 8.280 nan 0.000 0.481 178 F N 3.704 123.656 119.950 0.003 0.000 2.494 178 F HA 0.512 -2.158 4.527 -11.994 0.000 0.369 178 F C 0.616 176.419 175.800 0.005 0.000 1.098 178 F CA -0.631 57.360 58.000 -0.015 0.000 1.154 178 F CB 0.274 39.231 39.000 -0.070 0.000 1.103 178 F HN 0.581 nan 8.300 nan 0.000 0.549 179 A N 7.721 130.372 122.820 -0.282 0.000 2.444 179 A HA 0.293 -2.583 4.320 -11.994 0.000 0.273 179 A C 0.540 178.052 177.584 -0.120 0.000 1.136 179 A CA -0.363 51.573 52.037 -0.168 0.000 0.799 179 A CB 0.127 19.002 19.000 -0.209 0.000 1.081 179 A HN 1.048 nan 8.150 nan 0.000 0.509 180 L N 1.763 123.037 121.223 0.084 0.000 2.004 180 L HA 0.119 -2.737 4.340 -11.994 0.000 0.205 180 L C 0.621 177.525 176.870 0.057 0.000 1.089 180 L CA 1.083 56.014 54.840 0.151 0.000 0.756 180 L CB -0.078 42.047 42.059 0.110 0.000 0.900 180 L HN 0.626 nan 8.230 nan 0.000 0.440 181 D N -1.670 118.741 120.400 0.019 0.000 2.559 181 D HA 0.401 -2.156 4.640 -11.994 0.000 0.250 181 D C -1.167 175.124 176.300 -0.016 0.000 1.135 181 D CA -0.550 53.450 54.000 -0.000 0.000 0.955 181 D CB 2.612 43.415 40.800 0.006 0.000 1.442 181 D HN -0.247 nan 8.370 nan 0.000 0.471 182 L N 0.621 121.833 121.223 -0.020 0.000 2.418 182 L HA 0.291 -2.565 4.340 -11.994 0.000 0.265 182 L C -0.064 176.800 176.870 -0.011 0.000 1.143 182 L CA -0.107 54.721 54.840 -0.021 0.000 0.809 182 L CB 0.485 42.530 42.059 -0.023 0.000 1.124 182 L HN 0.206 nan 8.230 nan 0.000 0.456 183 L N 3.757 124.975 121.223 -0.009 0.000 2.281 183 L HA 0.402 -2.455 4.340 -11.994 0.000 0.285 183 L C -0.293 176.577 176.870 -0.001 0.000 1.074 183 L CA 0.082 54.922 54.840 -0.001 0.000 0.817 183 L CB 0.846 42.908 42.059 0.005 0.000 1.168 183 L HN 0.555 nan 8.230 nan 0.000 0.434 184 M N 3.940 123.540 119.600 -0.000 0.000 2.327 184 M HA 0.381 -2.335 4.480 -11.994 0.000 0.298 184 M C -1.119 175.181 176.300 0.000 0.000 1.065 184 M CA -0.204 55.095 55.300 -0.001 0.000 0.916 184 M CB 2.152 34.750 32.600 -0.003 0.000 1.630 184 M HN 0.430 nan 8.290 nan 0.000 0.442 185 E N 3.309 123.509 120.200 0.000 0.000 2.343 185 E HA 0.348 -2.499 4.350 -11.994 0.000 0.260 185 E C -1.018 175.581 176.600 -0.002 0.000 0.908 185 E CA -0.276 56.124 56.400 0.000 0.000 0.814 185 E CB 0.633 30.335 29.700 0.002 0.000 1.302 185 E HN 0.787 nan 8.360 nan 0.000 0.408 186 N N 3.331 122.029 118.700 -0.003 0.000 2.671 186 N HA -0.222 -2.679 4.740 -11.994 0.000 0.261 186 N C 0.602 176.108 175.510 -0.006 0.000 1.053 186 N CA 1.486 54.533 53.050 -0.005 0.000 0.732 186 N CB -1.251 37.233 38.487 -0.005 0.000 0.887 186 N HN 1.028 nan 8.380 nan 0.000 0.546 187 G N -0.825 107.972 108.800 -0.006 0.000 2.220 187 G HA2 -0.340 -3.576 3.960 -11.994 0.000 0.269 187 G HA3 -0.340 -3.576 3.960 -11.994 0.000 0.269 187 G C -0.141 174.753 174.900 -0.010 0.000 0.977 187 G CA 0.961 46.057 45.100 -0.007 0.000 0.634 187 G HN 0.619 nan 8.290 nan 0.000 0.539 188 E N -0.548 119.648 120.200 -0.007 0.000 2.195 188 E HA 0.501 -2.346 4.350 -11.994 0.000 0.271 188 E C -0.332 176.266 176.600 -0.002 0.000 0.923 188 E CA -0.675 55.722 56.400 -0.005 0.000 0.790 188 E CB 2.201 31.901 29.700 -0.001 0.000 1.155 188 E HN 0.228 nan 8.360 nan 0.000 0.402 189 C N 2.772 122.071 119.300 -0.001 0.000 2.369 189 C HA 0.318 -2.418 4.460 -11.994 0.000 0.358 189 C C 1.062 176.060 174.990 0.013 0.000 1.274 189 C CA -0.367 58.653 59.018 0.002 0.000 1.935 189 C CB -0.422 27.318 27.740 -0.001 0.000 2.431 189 C HN 0.722 nan 8.230 nan 0.000 0.545 190 R N 3.342 123.849 120.500 0.012 0.000 2.404 190 R HA 0.367 -2.489 4.340 -11.994 0.000 0.237 190 R C 0.899 177.213 176.300 0.023 0.000 0.907 190 R CA 0.779 56.892 56.100 0.021 0.000 1.063 190 R CB 0.118 30.430 30.300 0.020 0.000 1.134 190 R HN 1.113 nan 8.270 nan 0.000 0.529 191 G N 0.146 108.952 108.800 0.010 0.000 2.260 191 G HA2 -0.009 -3.246 3.960 -11.994 0.000 0.250 191 G HA3 -0.009 -3.246 3.960 -11.994 0.000 0.250 191 G C -1.474 173.414 174.900 -0.021 0.000 1.340 191 G CA -0.331 44.767 45.100 -0.003 0.000 1.056 191 G HN 0.132 nan 8.290 nan 0.000 0.471 192 V N -1.706 118.186 119.914 -0.036 0.000 2.876 192 V HA 0.844 -2.232 4.120 -11.994 0.000 0.312 192 V C -0.007 176.070 176.094 -0.029 0.000 1.085 192 V CA -0.990 61.283 62.300 -0.044 0.000 0.945 192 V CB 1.770 33.546 31.823 -0.078 0.000 1.017 192 V HN 1.244 nan 8.190 nan 0.000 0.428 193 I N 3.012 123.576 120.570 -0.010 0.000 2.396 193 I HA 0.831 -2.195 4.170 -11.994 0.000 0.292 193 I C 0.260 176.393 176.117 0.026 0.000 0.999 193 I CA -0.188 61.121 61.300 0.015 0.000 1.310 193 I CB 1.280 39.289 38.000 0.015 0.000 1.404 193 I HN 1.144 nan 8.210 nan 0.000 0.496 194 A N 7.077 129.939 122.820 0.070 0.000 2.539 194 A HA 0.663 -2.214 4.320 -11.994 0.000 0.296 194 A C -1.743 175.955 177.584 0.191 0.000 1.073 194 A CA -0.611 51.496 52.037 0.118 0.000 0.700 194 A CB 1.625 20.677 19.000 0.086 0.000 1.296 194 A HN 0.675 nan 8.150 nan 0.000 0.405 195 L N 1.746 123.080 121.223 0.185 0.000 2.282 195 L HA 0.605 -2.252 4.340 -11.994 0.000 0.288 195 L C -0.059 176.825 176.870 0.024 0.000 1.033 195 L CA -0.363 54.547 54.840 0.117 0.000 0.807 195 L CB 1.006 43.088 42.059 0.039 0.000 1.209 195 L HN 0.829 nan 8.230 nan 0.000 0.423 196 C N 6.172 125.446 119.300 -0.043 0.000 2.629 196 C HA 0.252 -2.484 4.460 -11.994 0.000 0.410 196 C C 1.798 176.569 174.990 -0.365 0.000 1.339 196 C CA -0.377 58.310 59.018 -0.552 0.000 1.810 196 C CB -1.114 26.451 27.740 -0.292 0.000 2.549 196 C HN 0.945 nan 8.230 nan 0.000 0.589 197 I N 3.576 123.855 120.570 -0.484 0.000 2.761 197 I HA -0.053 -3.080 4.170 -11.994 0.000 0.261 197 I C 2.351 178.198 176.117 -0.450 0.000 1.198 197 I CA 0.858 61.836 61.300 -0.538 0.000 1.482 197 I CB -0.406 37.102 38.000 -0.820 0.000 1.100 197 I HN 0.827 nan 8.210 nan 0.000 0.445 198 E N 1.818 121.890 120.200 -0.213 0.000 2.016 198 E HA -0.256 -3.102 4.350 -11.994 0.000 0.190 198 E C 1.376 178.040 176.600 0.106 0.000 0.985 198 E CA 1.970 58.423 56.400 0.088 0.000 0.802 198 E CB 0.171 29.950 29.700 0.131 0.000 0.762 198 E HN 0.620 nan 8.360 nan 0.000 0.448 199 D N -2.510 117.927 120.400 0.063 0.000 2.423 199 D HA 0.150 -2.406 4.640 -11.994 0.000 0.208 199 D C 1.197 177.547 176.300 0.083 0.000 1.068 199 D CA 0.714 54.772 54.000 0.096 0.000 0.860 199 D CB 0.736 41.613 40.800 0.129 0.000 0.992 199 D HN 0.360 nan 8.370 nan 0.000 0.504 200 G N 0.288 109.122 108.800 0.056 0.000 2.175 200 G HA2 -0.261 -3.497 3.960 -11.994 0.000 0.244 200 G HA3 -0.261 -3.497 3.960 -11.994 0.000 0.244 200 G C 0.379 175.373 174.900 0.158 0.000 0.982 200 G CA 0.265 45.416 45.100 0.084 0.000 0.641 200 G HN 0.845 nan 8.290 nan 0.000 0.527 201 S N -0.140 115.649 115.700 0.148 0.000 2.580 201 S HA 0.676 -2.050 4.470 -11.994 0.000 0.274 201 S C 0.343 174.975 174.600 0.053 0.000 1.329 201 S CA -0.558 57.708 58.200 0.109 0.000 1.036 201 S CB 1.650 64.869 63.200 0.031 0.000 0.919 201 S HN 0.532 nan 8.310 nan 0.000 0.515 202 I N 3.480 124.038 120.570 -0.019 0.000 2.325 202 I HA 0.253 -2.774 4.170 -11.994 0.000 0.291 202 I C 0.308 176.361 176.117 -0.105 0.000 1.019 202 I CA -0.354 60.933 61.300 -0.022 0.000 1.302 202 I CB 0.468 38.430 38.000 -0.064 0.000 1.401 202 I HN 0.619 nan 8.210 nan 0.000 0.485 203 H N 6.737 125.894 119.070 0.144 0.000 2.459 203 H HA 0.476 -2.164 4.556 -11.994 0.000 0.332 203 H C -0.582 174.802 175.328 0.094 0.000 1.094 203 H CA -0.840 55.314 56.048 0.176 0.000 1.224 203 H CB 1.562 31.484 29.762 0.267 0.000 1.449 203 H HN 0.412 nan 8.280 nan 0.000 0.484 204 R N 3.088 123.704 120.500 0.194 0.000 2.288 204 R HA 0.383 -2.474 4.340 -11.994 0.000 0.326 204 R C -0.347 176.042 176.300 0.148 0.000 0.959 204 R CA -0.431 55.737 56.100 0.114 0.000 0.834 204 R CB 0.958 31.297 30.300 0.065 0.000 1.157 204 R HN 0.470 nan 8.270 nan 0.000 0.470 205 I N 4.634 125.247 120.570 0.073 0.000 2.337 205 I HA 0.279 -2.747 4.170 -11.994 0.000 0.285 205 I C 0.382 176.545 176.117 0.077 0.000 1.041 205 I CA -0.616 60.733 61.300 0.080 0.000 1.199 205 I CB 0.696 38.609 38.000 -0.145 0.000 1.370 205 I HN 0.430 nan 8.210 nan 0.000 0.470 206 R N 5.638 126.213 120.500 0.125 0.000 2.404 206 R HA 0.931 -1.926 4.340 -11.994 0.000 0.291 206 R C -0.801 175.575 176.300 0.127 0.000 1.025 206 R CA -0.558 55.598 56.100 0.094 0.000 0.991 206 R CB 1.756 32.099 30.300 0.071 0.000 1.053 206 R HN 0.571 nan 8.270 nan 0.000 0.479 207 A N 1.985 124.861 122.820 0.093 0.000 2.588 207 A HA 0.354 -2.523 4.320 -11.994 0.000 0.290 207 A C 0.135 177.765 177.584 0.077 0.000 1.136 207 A CA -0.936 51.165 52.037 0.108 0.000 0.681 207 A CB 1.593 20.661 19.000 0.113 0.000 1.282 207 A HN 0.885 nan 8.150 nan 0.000 0.421 208 R N -0.304 120.249 120.500 0.087 0.000 2.115 208 R HA 0.022 -2.834 4.340 -11.994 0.000 0.226 208 R C -0.167 176.174 176.300 0.068 0.000 1.100 208 R CA 1.184 57.330 56.100 0.077 0.000 0.980 208 R CB 0.023 30.382 30.300 0.098 0.000 0.875 208 R HN 0.742 nan 8.270 nan 0.000 0.445 209 N N -1.008 117.725 118.700 0.056 0.000 2.455 209 N HA 0.263 -2.193 4.740 -11.994 0.000 0.278 209 N C -1.516 174.004 175.510 0.016 0.000 1.291 209 N CA -0.404 52.673 53.050 0.045 0.000 0.780 209 N CB 2.564 41.047 38.487 -0.006 0.000 1.520 209 N HN -0.160 nan 8.380 nan 0.000 0.486 210 T N 0.171 114.749 114.554 0.041 0.000 3.109 210 T HA 0.327 -2.520 4.350 -11.994 0.000 0.311 210 T C -0.526 174.196 174.700 0.036 0.000 1.011 210 T CA -0.489 61.613 62.100 0.004 0.000 1.026 210 T CB 1.520 70.387 68.868 -0.002 0.000 1.047 210 T HN 0.116 nan 8.240 nan 0.000 0.448 211 V N 3.221 123.122 119.914 -0.023 0.000 2.427 211 V HA 0.560 -2.517 4.120 -11.994 0.000 0.286 211 V C -0.088 175.994 176.094 -0.020 0.000 1.034 211 V CA -0.767 61.534 62.300 0.000 0.000 0.893 211 V CB 1.739 33.521 31.823 -0.069 0.000 0.982 211 V HN 0.724 nan 8.190 nan 0.000 0.452 212 V N 3.910 123.823 119.914 -0.003 0.000 2.357 212 V HA 0.728 -2.349 4.120 -11.994 0.000 0.284 212 V C 0.390 176.473 176.094 -0.018 0.000 1.018 212 V CA -0.177 62.108 62.300 -0.026 0.000 0.841 212 V CB 1.370 33.172 31.823 -0.034 0.000 0.991 212 V HN 1.008 nan 8.190 nan 0.000 0.437 213 A N 2.765 125.570 122.820 -0.025 0.000 3.355 213 A HA 0.473 -2.403 4.320 -11.994 0.000 0.290 213 A C 0.893 178.465 177.584 -0.021 0.000 0.973 213 A CA 0.261 52.293 52.037 -0.009 0.000 0.933 213 A CB 0.382 19.388 19.000 0.010 0.000 1.138 213 A HN 0.826 nan 8.150 nan 0.000 0.490 214 T N -2.487 112.044 114.554 -0.038 0.000 3.107 214 T HA 0.462 -2.384 4.350 -11.994 0.000 0.249 214 T C 1.193 175.866 174.700 -0.046 0.000 1.096 214 T CA 0.919 62.987 62.100 -0.053 0.000 1.012 214 T CB -0.217 68.605 68.868 -0.077 0.000 0.977 214 T HN 2.164 nan 8.240 nan 0.000 0.527 215 G N 0.316 109.090 108.800 -0.044 0.000 2.750 215 G HA2 0.203 -3.033 3.960 -11.994 0.000 0.228 215 G HA3 0.203 -3.033 3.960 -11.994 0.000 0.228 215 G C 0.159 174.998 174.900 -0.102 0.000 1.367 215 G CA -0.569 44.485 45.100 -0.078 0.000 0.871 215 G HN 0.902 nan 8.290 nan 0.000 0.560 216 G N -1.642 107.038 108.800 -0.200 0.000 2.588 216 G HA2 0.641 -2.596 3.960 -11.994 0.000 0.278 216 G HA3 0.641 -2.596 3.960 -11.994 0.000 0.278 216 G C 0.235 175.067 174.900 -0.113 0.000 1.307 216 G CA 0.372 45.323 45.100 -0.249 0.000 1.016 216 G HN 1.856 nan 8.290 nan 0.000 0.503 217 Y N -2.249 117.962 120.300 -0.149 0.000 2.669 217 Y HA 0.502 -2.147 4.550 -11.998 0.000 0.302 217 Y C 1.547 177.413 175.900 -0.056 0.000 1.000 217 Y CA -0.655 57.394 58.100 -0.084 0.000 1.222 217 Y CB 0.102 38.532 38.460 -0.051 0.000 1.209 217 Y HN 0.468 nan 8.280 nan 0.000 0.571 218 G N 1.185 109.844 108.800 -0.235 0.000 2.479 218 G HA2 -0.197 -3.433 3.960 -11.994 0.000 0.220 218 G HA3 -0.197 -3.433 3.960 -11.994 0.000 0.220 218 G C 1.631 176.517 174.900 -0.023 0.000 1.115 218 G CA 0.237 45.224 45.100 -0.189 0.000 0.757 218 G HN 0.276 nan 8.290 nan 0.000 0.560 219 R N 0.718 121.216 120.500 -0.002 0.000 2.328 219 R HA -0.001 -2.858 4.340 -11.994 0.000 0.200 219 R C 2.385 178.732 176.300 0.079 0.000 0.983 219 R CA 1.079 57.193 56.100 0.024 0.000 1.062 219 R CB -0.740 29.568 30.300 0.013 0.000 0.956 219 R HN 0.558 nan 8.270 nan 0.000 0.479 220 T N -2.745 111.885 114.554 0.128 0.000 2.951 220 T HA -0.043 -2.889 4.350 -11.994 0.000 0.268 220 T C 0.676 175.319 174.700 -0.094 0.000 1.073 220 T CA 0.826 62.953 62.100 0.045 0.000 1.134 220 T CB -0.122 68.802 68.868 0.092 0.000 0.884 220 T HN 0.029 nan 8.240 nan 0.000 0.479 221 Y N -0.312 120.027 120.300 0.066 0.000 2.457 221 Y HA 0.495 -2.154 4.550 -11.998 0.000 0.333 221 Y C 0.903 176.867 175.900 0.107 0.000 1.119 221 Y CA -2.323 55.837 58.100 0.100 0.000 1.143 221 Y CB 0.899 39.396 38.460 0.061 0.000 1.230 221 Y HN -0.040 nan 8.280 nan 0.000 0.469 222 F N 0.603 120.666 119.950 0.189 0.000 2.134 222 F HA -0.087 -2.757 4.527 -11.995 0.000 0.299 222 F C 1.021 176.870 175.800 0.082 0.000 1.097 222 F CA 1.276 59.341 58.000 0.109 0.000 1.264 222 F CB -0.032 39.028 39.000 0.101 0.000 1.001 222 F HN 0.301 nan 8.300 nan 0.000 0.479 223 S N 1.016 116.638 115.700 -0.130 0.000 2.438 223 S HA 0.591 -2.135 4.470 -11.994 0.000 0.316 223 S C -0.731 173.793 174.600 -0.128 0.000 1.084 223 S CA -0.331 57.703 58.200 -0.277 0.000 1.107 223 S CB -0.061 63.081 63.200 -0.097 0.000 0.981 223 S HN 0.602 nan 8.310 nan 0.000 0.466 224 C N 2.813 122.004 119.300 -0.181 0.000 3.239 224 C HA 0.724 -2.013 4.460 -11.994 0.000 0.317 224 C C 1.408 176.313 174.990 -0.143 0.000 1.310 224 C CA 0.018 58.946 59.018 -0.150 0.000 1.371 224 C CB 0.723 28.376 27.740 -0.145 0.000 1.714 224 C HN 0.795 nan 8.230 nan 0.000 0.473 225 T N -0.345 114.150 114.554 -0.099 0.000 3.035 225 T HA 0.160 -2.687 4.350 -11.994 0.000 0.259 225 T C 0.830 175.500 174.700 -0.050 0.000 1.078 225 T CA 1.011 63.073 62.100 -0.064 0.000 1.132 225 T CB -0.663 68.235 68.868 0.050 0.000 0.900 225 T HN 1.460 nan 8.240 nan 0.000 0.480 226 S N 1.703 117.342 115.700 -0.100 0.000 2.584 226 S HA 0.623 -2.103 4.470 -11.994 0.000 0.270 226 S C 0.577 175.177 174.600 0.001 0.000 1.346 226 S CA -0.646 57.519 58.200 -0.058 0.000 1.018 226 S CB 0.466 63.459 63.200 -0.346 0.000 0.899 226 S HN 0.714 nan 8.310 nan 0.000 0.542 227 A N 1.076 124.002 122.820 0.177 0.000 2.386 227 A HA 0.240 -2.637 4.320 -11.994 0.000 0.246 227 A C 1.262 178.872 177.584 0.043 0.000 1.089 227 A CA -0.349 51.786 52.037 0.164 0.000 0.790 227 A CB -0.411 18.781 19.000 0.320 0.000 1.042 227 A HN 1.026 nan 8.150 nan 0.000 0.497 228 H N 0.168 119.279 119.070 0.068 0.000 2.518 228 H HA -0.083 -2.723 4.556 -11.993 0.000 0.289 228 H C 1.076 176.444 175.328 0.068 0.000 1.051 228 H CA 1.888 57.972 56.048 0.060 0.000 1.280 228 H CB -0.061 29.742 29.762 0.068 0.000 1.380 228 H HN 0.743 nan 8.280 nan 0.000 0.566 229 T N -1.548 113.112 114.554 0.178 0.000 3.258 229 T HA 0.198 -2.649 4.350 -11.994 0.000 0.263 229 T C 0.452 175.192 174.700 0.065 0.000 0.983 229 T CA -0.397 61.784 62.100 0.135 0.000 0.907 229 T CB 0.043 68.999 68.868 0.147 0.000 1.096 229 T HN -0.075 nan 8.240 nan 0.000 0.556 230 S N 2.659 118.368 115.700 0.014 0.000 2.921 230 S HA 0.302 -2.424 4.470 -11.994 0.000 0.244 230 S C 1.077 175.675 174.600 -0.004 0.000 1.291 230 S CA -0.745 57.417 58.200 -0.063 0.000 1.010 230 S CB 0.134 63.214 63.200 -0.201 0.000 1.255 230 S HN 0.707 nan 8.310 nan 0.000 0.492 231 T N -1.794 112.785 114.554 0.041 0.000 3.132 231 T HA 0.356 -2.490 4.350 -11.994 0.000 0.274 231 T C 1.110 175.866 174.700 0.093 0.000 1.011 231 T CA -0.009 62.143 62.100 0.087 0.000 0.899 231 T CB 0.175 69.112 68.868 0.115 0.000 1.089 231 T HN 0.647 nan 8.240 nan 0.000 0.543 232 G N 2.227 111.079 108.800 0.086 0.000 2.369 232 G HA2 -0.234 -3.471 3.960 -11.994 0.000 0.286 232 G HA3 -0.234 -3.471 3.960 -11.994 0.000 0.286 232 G C 0.131 175.032 174.900 0.002 0.000 0.938 232 G CA 0.485 45.635 45.100 0.083 0.000 1.271 232 G HN 0.556 nan 8.290 nan 0.000 0.488 233 D N -0.119 120.262 120.400 -0.033 0.000 2.183 233 D HA 0.103 -2.453 4.640 -11.994 0.000 0.205 233 D C 2.504 178.754 176.300 -0.083 0.000 0.962 233 D CA 1.292 55.251 54.000 -0.068 0.000 0.849 233 D CB -0.284 40.407 40.800 -0.181 0.000 0.978 233 D HN 0.482 nan 8.370 nan 0.000 0.488 234 G N 0.146 108.894 108.800 -0.086 0.000 2.422 234 G HA2 -0.219 -3.456 3.960 -11.994 0.000 0.218 234 G HA3 -0.219 -3.456 3.960 -11.994 0.000 0.218 234 G C 1.595 176.454 174.900 -0.068 0.000 1.140 234 G CA 1.253 46.307 45.100 -0.077 0.000 0.775 234 G HN 0.216 nan 8.290 nan 0.000 0.545 235 T N 1.647 116.161 114.554 -0.066 0.000 2.746 235 T HA 0.009 -2.837 4.350 -11.994 0.000 0.267 235 T C 2.765 177.403 174.700 -0.104 0.000 1.039 235 T CA 1.446 63.492 62.100 -0.090 0.000 1.142 235 T CB -0.274 68.528 68.868 -0.111 0.000 0.866 235 T HN 0.358 nan 8.240 nan 0.000 0.444 236 A N 1.230 123.998 122.820 -0.086 0.000 1.897 236 A HA 0.094 -2.782 4.320 -11.994 0.000 0.215 236 A C 2.358 179.916 177.584 -0.043 0.000 1.181 236 A CA 1.179 53.178 52.037 -0.063 0.000 0.620 236 A CB -0.696 18.287 19.000 -0.028 0.000 0.821 236 A HN 0.409 nan 8.150 nan 0.000 0.443 237 M N -0.638 118.937 119.600 -0.042 0.000 2.106 237 M HA -0.173 -2.889 4.480 -11.994 0.000 0.259 237 M C 2.065 178.343 176.300 -0.037 0.000 1.068 237 M CA 1.527 56.806 55.300 -0.036 0.000 1.100 237 M CB -0.376 32.194 32.600 -0.050 0.000 1.351 237 M HN 0.269 nan 8.290 nan 0.000 0.404 238 V N -0.210 119.672 119.914 -0.052 0.000 2.358 238 V HA -0.226 -3.303 4.120 -11.994 0.000 0.246 238 V C 2.201 178.265 176.094 -0.050 0.000 1.047 238 V CA 2.250 64.518 62.300 -0.054 0.000 1.035 238 V CB -0.949 30.831 31.823 -0.073 0.000 0.658 238 V HN 0.553 nan 8.190 nan 0.000 0.452 239 T N -0.834 113.683 114.554 -0.062 0.000 2.951 239 T HA -0.103 -2.949 4.350 -11.994 0.000 0.268 239 T C 1.937 176.626 174.700 -0.018 0.000 1.073 239 T CA 0.741 62.807 62.100 -0.056 0.000 1.134 239 T CB -0.202 68.612 68.868 -0.089 0.000 0.884 239 T HN 0.367 nan 8.240 nan 0.000 0.479 240 R N 0.899 121.390 120.500 -0.014 0.000 2.235 240 R HA 0.225 -2.631 4.340 -11.994 0.000 0.213 240 R C 2.385 178.688 176.300 0.005 0.000 1.059 240 R CA 0.759 56.860 56.100 0.002 0.000 0.997 240 R CB -0.187 30.117 30.300 0.007 0.000 0.884 240 R HN 0.386 nan 8.270 nan 0.000 0.462 241 A N -0.126 122.695 122.820 0.001 0.000 2.218 241 A HA 0.204 -2.672 4.320 -11.994 0.000 0.209 241 A C 1.401 179.000 177.584 0.024 0.000 1.168 241 A CA 0.789 52.830 52.037 0.006 0.000 0.804 241 A CB 0.091 19.089 19.000 -0.003 0.000 0.834 241 A HN 0.399 nan 8.150 nan 0.000 0.482 242 G N -1.353 107.473 108.800 0.044 0.000 2.157 242 G HA2 -0.209 -3.445 3.960 -11.994 0.000 0.248 242 G HA3 -0.209 -3.445 3.960 -11.994 0.000 0.248 242 G C 0.081 175.100 174.900 0.198 0.000 0.979 242 G CA 0.324 45.486 45.100 0.103 0.000 0.650 242 G HN 0.424 nan 8.290 nan 0.000 0.529 243 L N 2.062 123.343 121.223 0.096 0.000 2.399 243 L HA 0.475 -2.381 4.340 -11.994 0.000 0.266 243 L C -1.161 175.635 176.870 -0.123 0.000 1.114 243 L CA -2.204 52.671 54.840 0.059 0.000 0.804 243 L CB 0.889 42.945 42.059 -0.006 0.000 1.146 243 L HN -0.032 nan 8.230 nan 0.000 0.451 244 P HA 0.093 nan 4.420 nan 0.000 0.274 244 P C -1.227 175.840 177.300 -0.389 0.000 1.246 244 P CA -0.475 62.188 63.100 -0.730 0.000 0.795 244 P CB 0.909 32.244 31.700 -0.609 0.000 1.006 245 C N 0.735 119.806 119.300 -0.382 0.000 2.441 245 C HA 0.422 -2.314 4.460 -11.994 0.000 0.318 245 C C 0.224 175.117 174.990 -0.161 0.000 1.222 245 C CA -0.254 58.632 59.018 -0.220 0.000 1.474 245 C CB 1.027 28.651 27.740 -0.193 0.000 2.125 245 C HN 0.574 nan 8.230 nan 0.000 0.479 246 Q N 1.358 121.101 119.800 -0.096 0.000 2.235 246 Q HA 0.219 -2.637 4.340 -11.994 0.000 0.250 246 Q C -0.241 175.799 176.000 0.066 0.000 0.909 246 Q CA 0.017 55.801 55.803 -0.033 0.000 0.910 246 Q CB 0.660 29.347 28.738 -0.084 0.000 1.223 246 Q HN 0.773 nan 8.270 nan 0.000 0.432 247 D N 2.519 123.022 120.400 0.173 0.000 2.702 247 D HA -0.237 -2.793 4.640 -11.994 0.000 0.233 247 D C 0.554 177.080 176.300 0.376 0.000 1.164 247 D CA 0.706 54.915 54.000 0.348 0.000 0.638 247 D CB -0.723 40.201 40.800 0.208 0.000 1.041 247 D HN 0.634 nan 8.370 nan 0.000 0.422 248 L N 0.235 121.594 121.223 0.228 0.000 2.217 248 L HA -0.150 -3.006 4.340 -11.994 0.000 0.211 248 L C 2.607 179.618 176.870 0.235 0.000 1.107 248 L CA 1.174 56.142 54.840 0.214 0.000 0.783 248 L CB -0.224 41.883 42.059 0.079 0.000 0.919 248 L HN 0.214 nan 8.230 nan 0.000 0.442 249 E N 0.346 120.621 120.200 0.126 0.000 2.274 249 E HA -0.176 -3.023 4.350 -11.994 0.000 0.194 249 E C 0.284 176.862 176.600 -0.037 0.000 0.996 249 E CA 0.416 56.805 56.400 -0.019 0.000 0.840 249 E CB -0.359 29.167 29.700 -0.291 0.000 0.772 249 E HN 0.278 nan 8.360 nan 0.000 0.491 250 F N 1.930 121.944 119.950 0.106 0.000 2.462 250 F HA 0.177 -2.502 4.527 -12.010 0.000 0.360 250 F C 0.015 175.874 175.800 0.098 0.000 1.134 250 F CA -0.249 57.825 58.000 0.123 0.000 1.148 250 F CB 0.884 39.952 39.000 0.114 0.000 1.147 250 F HN -0.284 nan 8.300 nan 0.000 0.550 251 V N 4.050 124.088 119.914 0.206 0.000 2.483 251 V HA 0.243 -2.833 4.120 -11.994 0.000 0.297 251 V C -0.213 175.886 176.094 0.007 0.000 1.027 251 V CA -1.044 61.270 62.300 0.023 0.000 0.855 251 V CB 1.657 33.423 31.823 -0.096 0.000 0.995 251 V HN 0.630 nan 8.190 nan 0.000 0.424 252 Q N 3.541 123.334 119.800 -0.012 0.000 2.296 252 Q HA 0.379 -2.477 4.340 -11.994 0.000 0.262 252 Q C -1.463 174.473 176.000 -0.108 0.000 0.981 252 Q CA -0.133 55.708 55.803 0.062 0.000 0.905 252 Q CB 0.598 29.440 28.738 0.175 0.000 1.186 252 Q HN 0.614 nan 8.270 nan 0.000 0.399 253 F N 3.544 123.499 119.950 0.010 0.000 2.313 253 F HA 0.185 -2.487 4.527 -11.999 0.000 0.369 253 F C -0.015 175.786 175.800 0.002 0.000 1.109 253 F CA -0.683 57.313 58.000 -0.007 0.000 1.132 253 F CB 0.648 39.613 39.000 -0.059 0.000 1.291 253 F HN 0.641 nan 8.300 nan 0.000 0.496 254 H N 5.319 124.411 119.070 0.036 0.000 2.899 254 H HA 0.136 -2.505 4.556 -11.994 0.000 0.303 254 H C -1.769 173.558 175.328 -0.001 0.000 1.042 254 H CA -1.326 54.672 56.048 -0.084 0.000 1.479 254 H CB 1.131 30.691 29.762 -0.338 0.000 1.493 254 H HN 0.303 nan 8.280 nan 0.000 0.534 255 P HA -0.104 nan 4.420 nan 0.000 0.218 255 P C -0.224 177.100 177.300 0.039 0.000 1.148 255 P CA 1.349 64.399 63.100 -0.083 0.000 0.822 255 P CB 0.294 31.892 31.700 -0.171 0.000 0.784 256 T N -2.331 112.305 114.554 0.137 0.000 2.947 256 T HA 0.695 -2.152 4.350 -11.994 0.000 0.337 256 T C 0.067 174.911 174.700 0.241 0.000 1.139 256 T CA -0.823 61.400 62.100 0.204 0.000 0.992 256 T CB 0.893 69.857 68.868 0.160 0.000 1.043 256 T HN 0.031 nan 8.240 nan 0.000 0.498 257 G N 3.195 112.081 108.800 0.143 0.000 2.740 257 G HA2 0.572 -2.664 3.960 -11.994 0.000 0.296 257 G HA3 0.572 -2.664 3.960 -11.994 0.000 0.296 257 G C -0.443 174.485 174.900 0.047 0.000 1.439 257 G CA -1.057 44.086 45.100 0.072 0.000 1.066 257 G HN 0.843 nan 8.290 nan 0.000 0.527 258 I N 2.042 122.616 120.570 0.006 0.000 2.775 258 I HA -0.131 -3.158 4.170 -11.994 0.000 0.290 258 I C 1.572 177.702 176.117 0.022 0.000 1.203 258 I CA -0.185 61.124 61.300 0.014 0.000 1.433 258 I CB 0.602 38.596 38.000 -0.010 0.000 1.354 258 I HN 0.701 nan 8.210 nan 0.000 0.579 259 Y N 6.136 126.376 120.300 -0.099 0.000 2.298 259 Y HA -0.183 -2.830 4.550 -11.995 0.000 0.287 259 Y C 1.728 177.588 175.900 -0.067 0.000 1.164 259 Y CA 1.434 59.462 58.100 -0.119 0.000 1.229 259 Y CB -0.353 37.910 38.460 -0.329 0.000 0.977 259 Y HN 0.668 nan 8.280 nan 0.000 0.538 260 G N -0.396 108.320 108.800 -0.140 0.000 2.830 260 G HA2 0.036 -3.201 3.960 -11.994 0.000 0.172 260 G HA3 0.036 -3.201 3.960 -11.994 0.000 0.172 260 G C 1.581 176.371 174.900 -0.183 0.000 1.782 260 G CA 0.610 45.614 45.100 -0.160 0.000 0.900 260 G HN 0.475 nan 8.290 nan 0.000 0.389 261 A N -1.240 121.501 122.820 -0.132 0.000 2.172 261 A HA 0.407 -2.469 4.320 -11.994 0.000 0.216 261 A C 1.839 179.268 177.584 -0.258 0.000 1.154 261 A CA 1.677 53.603 52.037 -0.186 0.000 0.701 261 A CB -0.631 18.282 19.000 -0.145 0.000 0.789 261 A HN 2.218 nan 8.150 nan 0.000 0.465 262 G N -2.101 106.554 108.800 -0.242 0.000 2.167 262 G HA2 -0.193 -3.429 3.960 -11.994 0.000 0.194 262 G HA3 -0.193 -3.429 3.960 -11.994 0.000 0.194 262 G C 0.034 174.817 174.900 -0.195 0.000 1.027 262 G CA -0.258 44.727 45.100 -0.191 0.000 0.717 262 G HN 0.548 nan 8.290 nan 0.000 0.501 263 C N 0.254 119.384 119.300 -0.283 0.000 2.653 263 C HA 0.473 -2.263 4.460 -11.994 0.000 0.421 263 C C 1.253 176.161 174.990 -0.137 0.000 1.334 263 C CA -0.280 58.569 59.018 -0.283 0.000 1.885 263 C CB -0.007 27.442 27.740 -0.484 0.000 2.645 263 C HN 0.740 nan 8.230 nan 0.000 0.601 264 L N 5.405 126.568 121.223 -0.100 0.000 2.360 264 L HA 0.444 -2.413 4.340 -11.994 0.000 0.276 264 L C -0.446 176.402 176.870 -0.037 0.000 1.121 264 L CA 0.457 55.254 54.840 -0.072 0.000 0.845 264 L CB 0.130 42.144 42.059 -0.075 0.000 1.143 264 L HN 0.522 nan 8.230 nan 0.000 0.452 265 I N 4.247 124.818 120.570 0.001 0.000 2.359 265 I HA 0.273 -2.753 4.170 -11.994 0.000 0.294 265 I C 0.778 176.938 176.117 0.072 0.000 0.987 265 I CA -0.211 61.114 61.300 0.043 0.000 1.225 265 I CB 1.427 39.466 38.000 0.066 0.000 1.366 265 I HN 0.610 nan 8.210 nan 0.000 0.466 266 T N 3.032 117.634 114.554 0.079 0.000 2.906 266 T HA -0.044 -2.890 4.350 -11.994 0.000 0.320 266 T C 1.113 175.889 174.700 0.127 0.000 1.088 266 T CA 0.162 62.340 62.100 0.129 0.000 1.120 266 T CB 0.422 69.382 68.868 0.153 0.000 1.000 266 T HN 0.848 nan 8.240 nan 0.000 0.550 267 E N 2.034 122.321 120.200 0.145 0.000 2.418 267 E HA 0.037 -2.810 4.350 -11.994 0.000 0.197 267 E C 2.045 178.334 176.600 -0.518 0.000 1.026 267 E CA 0.740 57.029 56.400 -0.184 0.000 0.862 267 E CB -0.680 28.868 29.700 -0.255 0.000 0.799 267 E HN 0.923 nan 8.360 nan 0.000 0.518 268 G N 0.296 108.939 108.800 -0.261 0.000 2.501 268 G HA2 -0.284 -3.520 3.960 -11.994 0.000 0.220 268 G HA3 -0.284 -3.520 3.960 -11.994 0.000 0.220 268 G C 1.477 176.337 174.900 -0.066 0.000 1.114 268 G CA 0.821 45.861 45.100 -0.099 0.000 0.757 268 G HN 0.371 nan 8.290 nan 0.000 0.559 269 C N -0.052 119.214 119.300 -0.057 0.000 2.436 269 C HA 0.001 -2.735 4.460 -11.994 0.000 0.277 269 C C 2.900 177.852 174.990 -0.062 0.000 1.241 269 C CA 0.806 59.806 59.018 -0.031 0.000 1.721 269 C CB -0.827 26.912 27.740 -0.003 0.000 2.043 269 C HN 0.480 nan 8.230 nan 0.000 0.472 270 R N 0.445 120.870 120.500 -0.124 0.000 2.148 270 R HA -0.038 -2.894 4.340 -11.994 0.000 0.227 270 R C 2.339 178.546 176.300 -0.154 0.000 1.103 270 R CA 1.328 57.347 56.100 -0.136 0.000 0.983 270 R CB -0.517 29.671 30.300 -0.187 0.000 0.874 270 R HN 0.672 nan 8.270 nan 0.000 0.451 271 G N 0.572 109.238 108.800 -0.224 0.000 2.430 271 G HA2 -0.181 -3.417 3.960 -11.994 0.000 0.216 271 G HA3 -0.181 -3.417 3.960 -11.994 0.000 0.216 271 G C 1.220 176.107 174.900 -0.022 0.000 1.146 271 G CA 0.212 45.210 45.100 -0.171 0.000 0.793 271 G HN 0.181 nan 8.290 nan 0.000 0.537 272 E N -0.106 120.100 120.200 0.010 0.000 2.122 272 E HA 0.105 -2.741 4.350 -11.994 0.000 0.190 272 E C 1.902 178.536 176.600 0.057 0.000 0.977 272 E CA 1.034 57.474 56.400 0.067 0.000 0.820 272 E CB 0.341 30.086 29.700 0.076 0.000 0.770 272 E HN 0.457 nan 8.360 nan 0.000 0.462 273 G N 0.360 109.183 108.800 0.038 0.000 4.362 273 G HA2 -0.039 -3.275 3.960 -11.994 0.000 0.220 273 G HA3 -0.039 -3.275 3.960 -11.994 0.000 0.220 273 G C 0.473 175.452 174.900 0.132 0.000 0.795 273 G CA -0.160 44.988 45.100 0.079 0.000 0.920 273 G HN 0.329 nan 8.290 nan 0.000 0.715 274 G N 0.849 109.684 108.800 0.059 0.000 2.398 274 G HA2 0.485 -2.751 3.960 -11.994 0.000 0.246 274 G HA3 0.485 -2.751 3.960 -11.994 0.000 0.246 274 G C -0.072 174.889 174.900 0.102 0.000 1.289 274 G CA 0.126 45.279 45.100 0.087 0.000 0.869 274 G HN 0.243 nan 8.290 nan 0.000 0.543 275 I N 1.713 122.390 120.570 0.177 0.000 2.530 275 I HA 0.336 -2.690 4.170 -11.994 0.000 0.297 275 I C -0.597 175.545 176.117 0.042 0.000 1.011 275 I CA -1.239 60.096 61.300 0.058 0.000 1.107 275 I CB 1.692 39.692 38.000 0.001 0.000 1.285 275 I HN 0.210 nan 8.210 nan 0.000 0.436 276 L N 6.262 127.448 121.223 -0.062 0.000 2.272 276 L HA 0.539 -2.318 4.340 -11.994 0.000 0.289 276 L C -0.645 176.233 176.870 0.012 0.000 1.032 276 L CA -0.092 54.724 54.840 -0.040 0.000 0.810 276 L CB 0.860 42.799 42.059 -0.200 0.000 1.205 276 L HN 0.352 nan 8.230 nan 0.000 0.422 277 I N 4.774 125.508 120.570 0.273 0.000 2.509 277 I HA 0.426 -2.600 4.170 -11.994 0.000 0.293 277 I C -0.041 176.331 176.117 0.425 0.000 1.020 277 I CA -0.417 61.079 61.300 0.326 0.000 1.088 277 I CB 1.729 39.836 38.000 0.178 0.000 1.267 277 I HN 0.720 nan 8.210 nan 0.000 0.430 278 N N 2.776 121.704 118.700 0.381 0.000 2.514 278 N HA 0.220 -2.236 4.740 -11.994 0.000 0.299 278 N C 0.952 176.519 175.510 0.095 0.000 1.292 278 N CA -0.086 53.036 53.050 0.120 0.000 0.963 278 N CB -0.071 38.382 38.487 -0.058 0.000 1.124 278 N HN 0.505 nan 8.380 nan 0.000 0.580 279 S N -1.919 113.796 115.700 0.026 0.000 2.402 279 S HA -0.197 -2.924 4.470 -11.994 0.000 0.229 279 S C 1.619 176.231 174.600 0.020 0.000 1.021 279 S CA 0.927 59.142 58.200 0.025 0.000 0.974 279 S CB -0.592 62.599 63.200 -0.014 0.000 0.800 279 S HN 0.683 nan 8.310 nan 0.000 0.484 280 Q N 1.018 120.833 119.800 0.024 0.000 2.245 280 Q HA 0.166 -2.690 4.340 -11.994 0.000 0.201 280 Q C 1.460 177.478 176.000 0.031 0.000 0.955 280 Q CA 0.968 56.785 55.803 0.023 0.000 0.870 280 Q CB -0.183 28.571 28.738 0.026 0.000 0.945 280 Q HN 0.825 nan 8.270 nan 0.000 0.461 281 G N 0.488 109.320 108.800 0.054 0.000 2.211 281 G HA2 -0.227 -3.464 3.960 -11.994 0.000 0.201 281 G HA3 -0.227 -3.464 3.960 -11.994 0.000 0.201 281 G C -0.164 174.777 174.900 0.069 0.000 0.997 281 G CA 0.064 45.194 45.100 0.050 0.000 0.652 281 G HN 0.375 nan 8.290 nan 0.000 0.500 282 E N 0.859 121.116 120.200 0.094 0.000 2.354 282 E HA 0.306 -2.540 4.350 -11.994 0.000 0.269 282 E C 0.537 177.228 176.600 0.151 0.000 1.036 282 E CA -0.708 55.755 56.400 0.105 0.000 0.876 282 E CB 0.374 30.142 29.700 0.115 0.000 1.009 282 E HN 0.306 nan 8.360 nan 0.000 0.416 283 R N 5.123 125.668 120.500 0.076 0.000 2.605 283 R HA -0.008 -2.865 4.340 -11.994 0.000 0.271 283 R C 0.696 177.004 176.300 0.013 0.000 1.418 283 R CA -0.101 56.001 56.100 0.002 0.000 1.102 283 R CB -0.488 29.782 30.300 -0.051 0.000 1.131 283 R HN 0.529 nan 8.270 nan 0.000 0.554 284 F N 2.014 122.006 119.950 0.070 0.000 2.641 284 F HA 0.036 -2.634 4.527 -11.995 0.000 0.298 284 F C 0.483 176.389 175.800 0.176 0.000 1.146 284 F CA 0.025 58.102 58.000 0.127 0.000 1.464 284 F CB 0.106 39.177 39.000 0.117 0.000 1.101 284 F HN 0.213 nan 8.300 nan 0.000 0.585 285 M N 1.516 120.909 119.600 -0.345 0.000 3.443 285 M HA 0.210 -2.506 4.480 -11.994 0.000 0.228 285 M C 0.281 176.558 176.300 -0.038 0.000 1.227 285 M CA 0.151 55.334 55.300 -0.194 0.000 1.321 285 M CB -0.770 31.607 32.600 -0.373 0.000 1.134 285 M HN 0.444 nan 8.290 nan 0.000 0.567 286 E N -0.668 119.564 120.200 0.054 0.000 2.571 286 E HA 0.147 -2.700 4.350 -11.994 0.000 0.204 286 E C 1.715 178.350 176.600 0.059 0.000 0.851 286 E CA -0.118 56.307 56.400 0.042 0.000 1.358 286 E CB 0.964 30.676 29.700 0.020 0.000 1.327 286 E HN 0.357 nan 8.360 nan 0.000 0.665 287 R N 0.055 120.598 120.500 0.072 0.000 2.153 287 R HA -0.008 -2.864 4.340 -11.994 0.000 0.218 287 R C 1.485 177.754 176.300 -0.050 0.000 1.072 287 R CA 0.964 57.057 56.100 -0.011 0.000 0.990 287 R CB 0.158 30.418 30.300 -0.066 0.000 0.889 287 R HN 0.174 nan 8.270 nan 0.000 0.452 288 Y N -0.541 119.799 120.300 0.067 0.000 2.269 288 Y HA 0.143 -2.504 4.550 -11.996 0.000 0.294 288 Y C 0.766 176.706 175.900 0.067 0.000 1.120 288 Y CA 0.844 58.991 58.100 0.078 0.000 1.159 288 Y CB 0.399 38.925 38.460 0.111 0.000 1.024 288 Y HN 0.008 nan 8.280 nan 0.000 0.532 289 A N -0.340 122.602 122.820 0.202 0.000 2.457 289 A HA 0.446 -2.431 4.320 -11.994 0.000 0.283 289 A C -2.370 175.265 177.584 0.086 0.000 1.166 289 A CA -1.321 50.799 52.037 0.139 0.000 0.740 289 A CB 0.815 19.891 19.000 0.127 0.000 1.181 289 A HN -0.026 nan 8.150 nan 0.000 0.446 290 P HA -0.018 nan 4.420 nan 0.000 0.217 290 P C 1.447 178.774 177.300 0.045 0.000 1.154 290 P CA 0.786 63.914 63.100 0.047 0.000 0.841 290 P CB 0.256 31.978 31.700 0.037 0.000 0.790 291 V N 0.492 120.444 119.914 0.063 0.000 2.249 291 V HA -0.060 -3.137 4.120 -11.994 0.000 0.239 291 V C 2.520 178.652 176.094 0.062 0.000 1.038 291 V CA 2.268 64.605 62.300 0.062 0.000 1.005 291 V CB -1.835 30.032 31.823 0.074 0.000 0.646 291 V HN 0.026 nan 8.190 nan 0.000 0.455 292 A N -1.760 121.118 122.820 0.097 0.000 2.016 292 A HA 0.007 -2.870 4.320 -11.994 0.000 0.217 292 A C 1.436 179.022 177.584 0.003 0.000 1.162 292 A CA 1.250 53.322 52.037 0.058 0.000 0.662 292 A CB -0.147 18.905 19.000 0.086 0.000 0.812 292 A HN 0.603 nan 8.150 nan 0.000 0.450 293 K N -1.693 118.717 120.400 0.015 0.000 1.957 293 K HA -0.258 -3.134 4.320 -11.994 0.000 0.155 293 K C 0.634 177.191 176.600 -0.073 0.000 1.342 293 K CA 1.532 57.806 56.287 -0.021 0.000 0.382 293 K CB -1.382 31.099 32.500 -0.032 0.000 0.664 293 K HN 0.569 nan 8.250 nan 0.000 0.799 294 D N 1.001 121.333 120.400 -0.113 0.000 2.317 294 D HA -0.037 -2.593 4.640 -11.994 0.000 0.211 294 D C 1.182 177.387 176.300 -0.158 0.000 0.966 294 D CA 0.782 54.684 54.000 -0.163 0.000 0.876 294 D CB -0.005 40.683 40.800 -0.186 0.000 0.927 294 D HN 0.229 nan 8.370 nan 0.000 0.519 295 L N 0.298 121.438 121.223 -0.139 0.000 2.978 295 L HA 0.528 -2.328 4.340 -11.994 0.000 0.239 295 L C 0.310 177.073 176.870 -0.179 0.000 1.293 295 L CA -0.612 54.129 54.840 -0.165 0.000 1.085 295 L CB -0.488 41.483 42.059 -0.146 0.000 1.432 295 L HN 0.095 nan 8.230 nan 0.000 0.512 296 A N -1.271 121.435 122.820 -0.190 0.000 2.301 296 A HA 0.660 -2.216 4.320 -11.994 0.000 0.287 296 A C 0.612 177.982 177.584 -0.357 0.000 1.274 296 A CA -0.374 51.488 52.037 -0.291 0.000 0.865 296 A CB 0.161 19.063 19.000 -0.163 0.000 1.324 296 A HN 0.314 nan 8.150 nan 0.000 0.508 297 S N -0.510 114.867 115.700 -0.538 0.000 2.579 297 S HA 0.124 -2.602 4.470 -11.994 0.000 0.275 297 S C 1.436 175.927 174.600 -0.181 0.000 1.345 297 S CA -0.382 57.600 58.200 -0.363 0.000 1.031 297 S CB 0.517 63.496 63.200 -0.367 0.000 0.892 297 S HN 0.583 nan 8.310 nan 0.000 0.529 298 R N 1.550 121.972 120.500 -0.130 0.000 2.120 298 R HA -0.108 -2.964 4.340 -11.994 0.000 0.234 298 R C 1.319 177.586 176.300 -0.055 0.000 1.123 298 R CA 1.484 57.520 56.100 -0.106 0.000 0.975 298 R CB -0.409 29.839 30.300 -0.087 0.000 0.866 298 R HN 0.755 nan 8.270 nan 0.000 0.446 299 D N 0.243 120.632 120.400 -0.018 0.000 2.363 299 D HA -0.050 -2.606 4.640 -11.994 0.000 0.226 299 D C 1.358 177.655 176.300 -0.005 0.000 1.020 299 D CA 0.486 54.487 54.000 0.002 0.000 0.892 299 D CB 0.213 41.043 40.800 0.050 0.000 0.900 299 D HN 0.088 nan 8.370 nan 0.000 0.531 300 V N -0.102 119.808 119.914 -0.007 0.000 3.048 300 V HA -0.059 -3.135 4.120 -11.994 0.000 0.241 300 V C 2.621 178.700 176.094 -0.024 0.000 1.129 300 V CA 0.219 62.533 62.300 0.024 0.000 1.128 300 V CB 0.527 32.397 31.823 0.078 0.000 0.849 300 V HN 0.048 nan 8.190 nan 0.000 0.475 301 V N 1.377 121.256 119.914 -0.059 0.000 2.283 301 V HA -0.170 -3.247 4.120 -11.994 0.000 0.243 301 V C 2.762 178.832 176.094 -0.040 0.000 1.039 301 V CA 2.296 64.556 62.300 -0.066 0.000 1.016 301 V CB -0.840 30.917 31.823 -0.109 0.000 0.650 301 V HN 0.691 nan 8.190 nan 0.000 0.449 302 S N 0.718 116.385 115.700 -0.055 0.000 2.402 302 S HA -0.238 -2.965 4.470 -11.994 0.000 0.229 302 S C 2.035 176.584 174.600 -0.085 0.000 1.021 302 S CA 1.425 59.597 58.200 -0.046 0.000 0.974 302 S CB -0.457 62.730 63.200 -0.021 0.000 0.800 302 S HN 0.432 nan 8.310 nan 0.000 0.484 303 R N 1.766 122.198 120.500 -0.114 0.000 2.096 303 R HA 0.081 -2.776 4.340 -11.994 0.000 0.235 303 R C 2.372 178.679 176.300 0.012 0.000 1.127 303 R CA 1.867 57.894 56.100 -0.121 0.000 0.968 303 R CB -0.969 29.270 30.300 -0.102 0.000 0.861 303 R HN 0.499 nan 8.270 nan 0.000 0.440 304 S N -0.113 115.497 115.700 -0.150 0.000 2.357 304 S HA -0.081 -2.808 4.470 -11.994 0.000 0.221 304 S C 1.906 176.348 174.600 -0.264 0.000 1.031 304 S CA 1.507 59.420 58.200 -0.478 0.000 0.982 304 S CB -0.182 62.657 63.200 -0.601 0.000 0.853 304 S HN 0.273 nan 8.310 nan 0.000 0.458 305 M N 1.202 120.756 119.600 -0.075 0.000 2.080 305 M HA -0.125 -2.842 4.480 -11.994 0.000 0.260 305 M C 2.308 178.538 176.300 -0.117 0.000 1.068 305 M CA 1.482 56.711 55.300 -0.118 0.000 1.109 305 M CB -1.101 31.509 32.600 0.018 0.000 1.342 305 M HN 0.280 nan 8.290 nan 0.000 0.405 306 T N 0.809 115.357 114.554 -0.010 0.000 2.821 306 T HA -0.107 -2.953 4.350 -11.994 0.000 0.267 306 T C 1.683 176.385 174.700 0.004 0.000 1.046 306 T CA 0.984 63.113 62.100 0.049 0.000 1.139 306 T CB -0.245 68.727 68.868 0.174 0.000 0.871 306 T HN 0.194 nan 8.240 nan 0.000 0.454 307 L N 1.074 122.311 121.223 0.024 0.000 2.217 307 L HA 0.077 -2.779 4.340 -11.994 0.000 0.211 307 L C 2.334 179.146 176.870 -0.097 0.000 1.107 307 L CA 1.477 56.247 54.840 -0.115 0.000 0.783 307 L CB -0.426 41.632 42.059 -0.002 0.000 0.919 307 L HN 0.084 nan 8.230 nan 0.000 0.442 308 E N -0.439 119.682 120.200 -0.132 0.000 2.208 308 E HA -0.114 -2.960 4.350 -11.994 0.000 0.193 308 E C 2.187 178.692 176.600 -0.158 0.000 0.988 308 E CA 1.080 57.381 56.400 -0.164 0.000 0.828 308 E CB 0.012 29.490 29.700 -0.370 0.000 0.763 308 E HN 0.577 nan 8.360 nan 0.000 0.478 309 I N 0.864 121.345 120.570 -0.148 0.000 2.500 309 I HA -0.184 -3.211 4.170 -11.994 0.000 0.252 309 I C 2.192 178.246 176.117 -0.104 0.000 1.142 309 I CA 0.497 61.724 61.300 -0.122 0.000 1.451 309 I CB -0.111 37.832 38.000 -0.096 0.000 1.093 309 I HN -0.097 nan 8.210 nan 0.000 0.430 310 R N 1.152 121.582 120.500 -0.117 0.000 2.120 310 R HA -0.111 -2.968 4.340 -11.994 0.000 0.234 310 R C 1.778 178.022 176.300 -0.095 0.000 1.123 310 R CA 1.004 57.032 56.100 -0.120 0.000 0.975 310 R CB -0.783 29.412 30.300 -0.175 0.000 0.866 310 R HN 0.443 nan 8.270 nan 0.000 0.446 311 E N -0.326 119.823 120.200 -0.084 0.000 2.274 311 E HA -0.026 -2.873 4.350 -11.994 0.000 0.194 311 E C 1.189 177.753 176.600 -0.060 0.000 0.996 311 E CA 0.997 57.360 56.400 -0.062 0.000 0.840 311 E CB -0.059 29.614 29.700 -0.045 0.000 0.772 311 E HN 0.545 nan 8.360 nan 0.000 0.491 312 G N 1.617 110.375 108.800 -0.070 0.000 2.144 312 G HA2 -0.302 -3.538 3.960 -11.994 0.000 0.218 312 G HA3 -0.302 -3.538 3.960 -11.994 0.000 0.218 312 G C 0.671 175.529 174.900 -0.071 0.000 0.988 312 G CA 0.137 45.198 45.100 -0.065 0.000 0.659 312 G HN 0.268 nan 8.290 nan 0.000 0.522 313 R N 0.719 121.169 120.500 -0.083 0.000 2.555 313 R HA 0.382 -2.474 4.340 -11.994 0.000 0.272 313 R C 1.570 177.798 176.300 -0.120 0.000 1.089 313 R CA 0.258 56.306 56.100 -0.088 0.000 1.126 313 R CB 0.279 30.527 30.300 -0.086 0.000 1.250 313 R HN 0.369 nan 8.270 nan 0.000 0.551 314 G N 0.089 108.812 108.800 -0.128 0.000 2.616 314 G HA2 0.275 -2.961 3.960 -11.994 0.000 0.268 314 G HA3 0.275 -2.961 3.960 -11.994 0.000 0.268 314 G C -0.405 174.388 174.900 -0.177 0.000 1.213 314 G CA -0.365 44.633 45.100 -0.170 0.000 0.926 314 G HN 0.242 nan 8.290 nan 0.000 0.523 315 C N -0.897 118.230 119.300 -0.288 0.000 2.634 315 C HA 1.002 -1.734 4.460 -11.994 0.000 0.313 315 C C 0.659 175.258 174.990 -0.651 0.000 1.198 315 C CA 0.348 59.198 59.018 -0.280 0.000 1.605 315 C CB 0.653 28.348 27.740 -0.075 0.000 2.196 315 C HN 1.723 nan 8.230 nan 0.000 0.486 316 G N 3.203 111.805 108.800 -0.330 0.000 2.541 316 G HA2 -0.003 -3.239 3.960 -11.994 0.000 0.686 316 G HA3 -0.003 -3.239 3.960 -11.994 0.000 0.686 316 G C -2.552 172.277 174.900 -0.119 0.000 1.286 316 G CA -0.519 44.423 45.100 -0.263 0.000 0.894 316 G HN 0.379 nan 8.290 nan 0.000 0.575 317 P HA 0.107 nan 4.420 nan 0.000 0.226 317 P C 1.150 178.455 177.300 0.008 0.000 1.153 317 P CA 1.502 64.613 63.100 0.018 0.000 0.777 317 P CB 0.307 32.045 31.700 0.064 0.000 0.794 318 E N -0.834 119.361 120.200 -0.008 0.000 2.489 318 E HA 0.076 -2.770 4.350 -11.994 0.000 0.204 318 E C 0.130 176.702 176.600 -0.047 0.000 1.006 318 E CA 0.015 56.424 56.400 0.015 0.000 0.936 318 E CB -0.180 29.590 29.700 0.117 0.000 1.002 318 E HN -0.235 nan 8.360 nan 0.000 0.488 319 K N 1.267 121.579 120.400 -0.147 0.000 3.096 319 K HA -0.181 -3.057 4.320 -11.994 0.000 0.266 319 K C -0.621 175.881 176.600 -0.163 0.000 1.043 319 K CA 1.155 57.337 56.287 -0.176 0.000 0.758 319 K CB -1.647 30.792 32.500 -0.100 0.000 1.260 319 K HN 0.436 nan 8.250 nan 0.000 0.481 320 D N -2.170 118.103 120.400 -0.211 0.000 2.448 320 D HA 0.012 -2.544 4.640 -11.994 0.000 0.256 320 D C 0.559 176.821 176.300 -0.065 0.000 1.108 320 D CA 0.454 54.414 54.000 -0.066 0.000 0.848 320 D CB -0.089 40.779 40.800 0.114 0.000 1.281 320 D HN 0.652 nan 8.370 nan 0.000 0.509 321 H N -1.179 117.758 119.070 -0.222 0.000 2.676 321 H HA 0.793 -1.847 4.556 -11.994 0.000 0.352 321 H C -0.500 174.670 175.328 -0.264 0.000 1.193 321 H CA -1.217 54.688 56.048 -0.240 0.000 1.243 321 H CB 1.622 31.133 29.762 -0.418 0.000 1.751 321 H HN -0.175 nan 8.280 nan 0.000 0.567 322 V N 0.338 120.192 119.914 -0.100 0.000 3.046 322 V HA 0.271 -2.805 4.120 -11.994 0.000 0.316 322 V C -1.047 174.971 176.094 -0.127 0.000 1.104 322 V CA -0.961 61.274 62.300 -0.109 0.000 1.006 322 V CB 1.610 33.412 31.823 -0.035 0.000 1.058 322 V HN 0.703 nan 8.190 nan 0.000 0.440 323 Y N 1.611 121.982 120.300 0.117 0.000 2.420 323 Y HA 0.709 -1.937 4.550 -11.993 0.000 0.334 323 Y C -0.161 175.824 175.900 0.142 0.000 1.094 323 Y CA -0.553 57.623 58.100 0.127 0.000 1.126 323 Y CB 1.824 40.344 38.460 0.101 0.000 1.217 323 Y HN 0.515 nan 8.280 nan 0.000 0.462 324 L N 3.093 124.495 121.223 0.298 0.000 2.319 324 L HA 0.527 -2.330 4.340 -11.994 0.000 0.281 324 L C -0.898 176.091 176.870 0.198 0.000 1.005 324 L CA -0.767 54.198 54.840 0.207 0.000 0.828 324 L CB 1.325 43.470 42.059 0.144 0.000 1.227 324 L HN 0.603 nan 8.230 nan 0.000 0.415 325 Q N 3.604 123.519 119.800 0.191 0.000 2.304 325 Q HA 0.393 -2.464 4.340 -11.994 0.000 0.260 325 Q C -0.324 175.778 176.000 0.170 0.000 0.965 325 Q CA 0.488 56.419 55.803 0.213 0.000 0.898 325 Q CB 1.237 30.137 28.738 0.270 0.000 1.196 325 Q HN 0.874 nan 8.270 nan 0.000 0.402 326 L N 2.349 123.634 121.223 0.104 0.000 3.327 326 L HA 0.130 -2.727 4.340 -11.994 0.000 0.299 326 L C 1.114 177.934 176.870 -0.082 0.000 1.201 326 L CA -0.053 54.755 54.840 -0.055 0.000 1.059 326 L CB 0.042 42.096 42.059 -0.009 0.000 1.488 326 L HN 0.839 nan 8.230 nan 0.000 0.609 327 H N 1.228 120.285 119.070 -0.022 0.000 2.353 327 H HA -0.256 -2.896 4.556 -11.994 0.000 0.298 327 H C 2.361 177.683 175.328 -0.010 0.000 1.103 327 H CA 2.591 58.641 56.048 0.003 0.000 1.293 327 H CB 0.042 29.834 29.762 0.050 0.000 1.372 327 H HN 0.465 nan 8.280 nan 0.000 0.501 328 H N -0.392 118.620 119.070 -0.097 0.000 2.462 328 H HA -0.010 -2.651 4.556 -11.994 0.000 0.292 328 H C 0.594 175.855 175.328 -0.112 0.000 1.049 328 H CA 0.152 56.113 56.048 -0.144 0.000 1.334 328 H CB -0.496 29.267 29.762 0.003 0.000 1.404 328 H HN 0.230 nan 8.280 nan 0.000 0.544 329 L N 3.072 123.948 121.223 -0.578 0.000 2.514 329 L HA 0.119 -2.737 4.340 -11.994 0.000 0.280 329 L C -1.920 174.847 176.870 -0.171 0.000 1.223 329 L CA -1.406 53.234 54.840 -0.333 0.000 0.864 329 L CB 0.212 42.083 42.059 -0.314 0.000 1.118 329 L HN 0.156 nan 8.230 nan 0.000 0.494 330 P HA 0.151 nan 4.420 nan 0.000 0.271 330 P C -1.994 175.267 177.300 -0.065 0.000 1.220 330 P CA -1.108 61.951 63.100 -0.069 0.000 0.768 330 P CB 0.131 31.808 31.700 -0.038 0.000 0.848 331 P HA -0.152 nan 4.420 nan 0.000 0.222 331 P C 1.209 178.488 177.300 -0.034 0.000 1.147 331 P CA 1.232 64.306 63.100 -0.044 0.000 0.790 331 P CB -0.017 31.661 31.700 -0.037 0.000 0.780 332 E N 0.439 120.620 120.200 -0.033 0.000 2.049 332 E HA -0.244 -3.090 4.350 -11.994 0.000 0.198 332 E C 1.939 178.520 176.600 -0.031 0.000 1.007 332 E CA 1.591 57.974 56.400 -0.029 0.000 0.809 332 E CB -0.516 29.169 29.700 -0.025 0.000 0.749 332 E HN 0.590 nan 8.360 nan 0.000 0.450 333 Q N -0.043 119.739 119.800 -0.031 0.000 2.396 333 Q HA 0.149 -2.707 4.340 -11.994 0.000 0.209 333 Q C 2.227 178.212 176.000 -0.025 0.000 0.906 333 Q CA 0.088 55.873 55.803 -0.031 0.000 0.927 333 Q CB -0.151 28.575 28.738 -0.020 0.000 1.069 333 Q HN 0.149 nan 8.270 nan 0.000 0.523 334 L N 0.850 122.056 121.223 -0.029 0.000 2.093 334 L HA -0.020 -2.876 4.340 -11.994 0.000 0.208 334 L C 2.323 179.184 176.870 -0.016 0.000 1.085 334 L CA 1.407 56.233 54.840 -0.024 0.000 0.755 334 L CB -0.228 41.809 42.059 -0.038 0.000 0.904 334 L HN 0.397 nan 8.230 nan 0.000 0.435 335 A N -1.609 121.199 122.820 -0.020 0.000 2.119 335 A HA -0.011 -2.888 4.320 -11.994 0.000 0.216 335 A C 1.997 179.568 177.584 -0.022 0.000 1.152 335 A CA 1.217 53.244 52.037 -0.018 0.000 0.708 335 A CB -0.277 18.712 19.000 -0.019 0.000 0.805 335 A HN 0.302 nan 8.150 nan 0.000 0.460 336 V N -0.643 119.254 119.914 -0.029 0.000 2.436 336 V HA -0.034 -3.111 4.120 -11.994 0.000 0.240 336 V C 2.482 178.553 176.094 -0.038 0.000 1.040 336 V CA 1.098 63.373 62.300 -0.043 0.000 1.052 336 V CB -0.564 31.220 31.823 -0.064 0.000 0.707 336 V HN 0.363 nan 8.190 nan 0.000 0.469 337 R N 0.353 120.836 120.500 -0.028 0.000 2.119 337 R HA 0.176 -2.680 4.340 -11.994 0.000 0.222 337 R C 0.722 177.050 176.300 0.047 0.000 1.088 337 R CA 0.867 56.974 56.100 0.011 0.000 0.984 337 R CB -0.305 30.023 30.300 0.047 0.000 0.884 337 R HN 0.394 nan 8.270 nan 0.000 0.447 338 L N 1.717 122.957 121.223 0.029 0.000 2.678 338 L HA 0.286 -2.570 4.340 -11.994 0.000 0.250 338 L C -1.915 174.966 176.870 0.017 0.000 1.455 338 L CA -1.136 53.725 54.840 0.035 0.000 0.823 338 L CB 1.891 43.974 42.059 0.039 0.000 1.107 338 L HN -0.120 nan 8.230 nan 0.000 0.514 339 P HA 0.045 nan 4.420 nan 0.000 0.234 339 P C 1.468 178.767 177.300 -0.002 0.000 1.175 339 P CA 0.572 63.670 63.100 -0.002 0.000 0.801 339 P CB 0.593 32.284 31.700 -0.015 0.000 0.891 340 G N 1.584 110.383 108.800 -0.001 0.000 2.403 340 G HA2 -0.176 -3.412 3.960 -11.994 0.000 0.216 340 G HA3 -0.176 -3.412 3.960 -11.994 0.000 0.216 340 G C 1.454 176.364 174.900 0.017 0.000 1.154 340 G CA 0.709 45.806 45.100 -0.004 0.000 0.784 340 G HN 0.410 nan 8.290 nan 0.000 0.538 341 I N -2.042 118.545 120.570 0.029 0.000 3.059 341 I HA 0.198 -2.828 4.170 -11.994 0.000 0.270 341 I C 2.364 178.507 176.117 0.043 0.000 1.238 341 I CA 0.834 62.158 61.300 0.040 0.000 1.478 341 I CB 0.120 38.148 38.000 0.046 0.000 1.097 341 I HN -0.094 nan 8.210 nan 0.000 0.455 342 S N 1.208 116.927 115.700 0.031 0.000 2.383 342 S HA -0.121 -2.847 4.470 -11.994 0.000 0.227 342 S C 1.856 176.476 174.600 0.032 0.000 1.026 342 S CA 1.680 59.897 58.200 0.028 0.000 0.981 342 S CB -0.233 62.976 63.200 0.015 0.000 0.818 342 S HN 0.614 nan 8.310 nan 0.000 0.472 343 E N 0.401 120.619 120.200 0.029 0.000 2.086 343 E HA -0.055 -2.901 4.350 -11.994 0.000 0.190 343 E C 2.273 178.908 176.600 0.059 0.000 0.975 343 E CA 1.426 57.844 56.400 0.031 0.000 0.813 343 E CB -0.199 29.509 29.700 0.015 0.000 0.768 343 E HN 0.621 nan 8.360 nan 0.000 0.457 344 T N -1.014 113.586 114.554 0.078 0.000 3.055 344 T HA 0.134 -2.713 4.350 -11.994 0.000 0.265 344 T C 1.850 176.655 174.700 0.175 0.000 1.111 344 T CA 0.684 62.869 62.100 0.142 0.000 1.118 344 T CB 0.172 69.111 68.868 0.119 0.000 0.909 344 T HN 0.101 nan 8.240 nan 0.000 0.501 345 A N 0.528 123.418 122.820 0.117 0.000 2.178 345 A HA 0.478 -2.398 4.320 -11.994 0.000 0.211 345 A C 2.056 179.704 177.584 0.108 0.000 1.157 345 A CA 0.346 52.454 52.037 0.118 0.000 0.780 345 A CB -0.454 18.601 19.000 0.091 0.000 0.828 345 A HN 0.423 nan 8.150 nan 0.000 0.476 346 M N -0.547 119.103 119.600 0.084 0.000 2.447 346 M HA 0.235 -2.481 4.480 -11.994 0.000 0.264 346 M C 1.398 177.722 176.300 0.040 0.000 1.095 346 M CA 1.220 56.554 55.300 0.056 0.000 1.125 346 M CB -0.352 32.270 32.600 0.037 0.000 1.389 346 M HN 0.418 nan 8.290 nan 0.000 0.459 347 I N -2.047 118.553 120.570 0.050 0.000 2.522 347 I HA -0.077 -3.103 4.170 -11.994 0.000 0.240 347 I C 1.433 177.496 176.117 -0.089 0.000 1.078 347 I CA 0.772 62.041 61.300 -0.050 0.000 1.422 347 I CB -0.418 37.518 38.000 -0.107 0.000 1.188 347 I HN 0.026 nan 8.210 nan 0.000 0.442 348 F N 0.925 120.885 119.950 0.017 0.000 2.259 348 F HA -0.031 -2.700 4.527 -11.993 0.000 0.298 348 F C 2.384 178.198 175.800 0.023 0.000 1.088 348 F CA 1.246 59.255 58.000 0.016 0.000 1.358 348 F CB -0.286 38.720 39.000 0.011 0.000 1.040 348 F HN 0.016 nan 8.300 nan 0.000 0.505 349 A N -0.737 122.202 122.820 0.198 0.000 2.035 349 A HA 0.448 -2.428 4.320 -11.994 0.000 0.208 349 A C 1.765 179.405 177.584 0.094 0.000 1.206 349 A CA 0.659 52.777 52.037 0.135 0.000 0.773 349 A CB -0.768 18.308 19.000 0.127 0.000 0.878 349 A HN 0.461 nan 8.150 nan 0.000 0.469 350 G N -0.591 108.255 108.800 0.075 0.000 2.289 350 G HA2 -0.078 -3.315 3.960 -11.994 0.000 0.280 350 G HA3 -0.078 -3.315 3.960 -11.994 0.000 0.280 350 G C -0.252 174.685 174.900 0.062 0.000 1.089 350 G CA 0.240 45.371 45.100 0.052 0.000 0.939 350 G HN 0.988 nan 8.290 nan 0.000 0.499 351 V N 0.472 120.429 119.914 0.072 0.000 2.483 351 V HA 0.387 -2.690 4.120 -11.994 0.000 0.297 351 V C 0.053 176.187 176.094 0.067 0.000 1.027 351 V CA -0.973 61.374 62.300 0.078 0.000 0.855 351 V CB 1.898 33.784 31.823 0.106 0.000 0.995 351 V HN 0.432 nan 8.190 nan 0.000 0.424 352 D N 3.574 124.009 120.400 0.058 0.000 2.389 352 D HA 0.035 -2.521 4.640 -11.994 0.000 0.263 352 D C 1.253 177.589 176.300 0.060 0.000 1.255 352 D CA 0.144 54.175 54.000 0.051 0.000 0.914 352 D CB 1.607 42.435 40.800 0.046 0.000 1.116 352 D HN 0.424 nan 8.370 nan 0.000 0.502 353 V N 2.017 121.962 119.914 0.052 0.000 2.594 353 V HA -0.150 -3.226 4.120 -11.994 0.000 0.253 353 V C 1.979 178.098 176.094 0.041 0.000 1.069 353 V CA 1.907 64.237 62.300 0.050 0.000 1.082 353 V CB -1.002 30.843 31.823 0.038 0.000 0.680 353 V HN 0.584 nan 8.190 nan 0.000 0.469 354 T N -1.182 113.393 114.554 0.035 0.000 3.054 354 T HA 0.074 -2.772 4.350 -11.994 0.000 0.259 354 T C 1.728 176.466 174.700 0.064 0.000 1.092 354 T CA 1.302 63.412 62.100 0.017 0.000 1.121 354 T CB -0.033 68.834 68.868 -0.003 0.000 0.912 354 T HN 0.626 nan 8.240 nan 0.000 0.489 355 K N -0.214 120.259 120.400 0.121 0.000 2.387 355 K HA 0.220 -2.656 4.320 -11.994 0.000 0.197 355 K C 0.031 176.750 176.600 0.199 0.000 1.127 355 K CA 0.238 56.666 56.287 0.234 0.000 0.950 355 K CB 0.673 33.253 32.500 0.134 0.000 1.017 355 K HN 0.210 nan 8.250 nan 0.000 0.519 356 E N 1.606 121.872 120.200 0.109 0.000 2.212 356 E HA 0.295 -2.551 4.350 -11.994 0.000 0.268 356 E C -2.668 173.986 176.600 0.090 0.000 0.902 356 E CA -2.621 53.813 56.400 0.057 0.000 0.779 356 E CB 1.505 31.231 29.700 0.044 0.000 1.172 356 E HN -0.044 nan 8.360 nan 0.000 0.409 357 P HA 0.227 nan 4.420 nan 0.000 0.278 357 P C -0.083 177.364 177.300 0.244 0.000 1.238 357 P CA -0.454 62.735 63.100 0.148 0.000 0.794 357 P CB 0.805 32.568 31.700 0.105 0.000 0.955 358 I N 3.596 124.302 120.570 0.227 0.000 2.441 358 I HA 0.192 -2.834 4.170 -11.994 0.000 0.287 358 I C -2.153 174.094 176.117 0.218 0.000 1.049 358 I CA -2.921 58.498 61.300 0.199 0.000 1.381 358 I CB 0.054 38.133 38.000 0.132 0.000 1.409 358 I HN 0.111 nan 8.210 nan 0.000 0.523 359 P HA 0.190 nan 4.420 nan 0.000 0.276 359 P C -0.457 176.837 177.300 -0.010 0.000 1.253 359 P CA -0.044 63.001 63.100 -0.091 0.000 0.766 359 P CB 0.816 32.401 31.700 -0.192 0.000 0.845 360 V N 2.147 122.064 119.914 0.004 0.000 3.126 360 V HA 0.852 -2.225 4.120 -11.994 0.000 0.314 360 V C -1.012 175.134 176.094 0.087 0.000 1.138 360 V CA -1.252 61.088 62.300 0.066 0.000 1.034 360 V CB 2.189 34.068 31.823 0.093 0.000 1.075 360 V HN 0.328 nan 8.190 nan 0.000 0.442 361 L N 1.632 122.921 121.223 0.111 0.000 2.611 361 L HA 0.718 -2.138 4.340 -11.994 0.000 0.260 361 L C -3.044 173.905 176.870 0.132 0.000 0.924 361 L CA -1.252 53.664 54.840 0.127 0.000 0.901 361 L CB 2.662 44.827 42.059 0.176 0.000 1.369 361 L HN 0.555 nan 8.230 nan 0.000 0.415 362 P HA 0.278 nan 4.420 nan 0.000 0.269 362 P C -1.128 176.329 177.300 0.261 0.000 1.252 362 P CA 0.068 63.266 63.100 0.163 0.000 0.780 362 P CB 0.377 32.137 31.700 0.100 0.000 0.829 363 T N -0.413 114.294 114.554 0.256 0.000 2.916 363 T HA 0.443 -2.404 4.350 -11.994 0.000 0.292 363 T C -0.065 174.633 174.700 -0.003 0.000 1.064 363 T CA -0.925 61.291 62.100 0.193 0.000 1.011 363 T CB 0.573 69.483 68.868 0.071 0.000 1.152 363 T HN -0.063 nan 8.240 nan 0.000 0.510 364 V N 2.337 122.050 119.914 -0.334 0.000 2.720 364 V HA 0.168 -2.908 4.120 -11.994 0.000 0.307 364 V C 0.960 176.907 176.094 -0.244 0.000 1.071 364 V CA 0.878 62.786 62.300 -0.655 0.000 1.199 364 V CB 0.175 31.570 31.823 -0.714 0.000 0.900 364 V HN 1.185 nan 8.190 nan 0.000 0.494 365 H N 3.225 122.104 119.070 -0.319 0.000 2.460 365 H HA 0.301 -2.340 4.556 -11.995 0.000 0.140 365 H C -0.531 174.729 175.328 -0.113 0.000 1.101 365 H CA -0.049 55.916 56.048 -0.138 0.000 1.101 365 H CB 0.329 30.093 29.762 0.004 0.000 0.893 365 H HN 0.527 nan 8.280 nan 0.000 0.286 366 Y N 1.576 121.825 120.300 -0.086 0.000 2.420 366 Y HA 0.398 -2.251 4.550 -11.997 0.000 0.334 366 Y C -1.040 174.728 175.900 -0.220 0.000 1.094 366 Y CA -0.926 57.077 58.100 -0.162 0.000 1.126 366 Y CB 1.168 39.615 38.460 -0.021 0.000 1.217 366 Y HN 0.289 nan 8.280 nan 0.000 0.462 367 N N 6.455 124.634 118.700 -0.869 0.000 2.527 367 N HA 0.151 -2.306 4.740 -11.994 0.000 0.236 367 N C 0.607 175.791 175.510 -0.544 0.000 0.999 367 N CA -0.413 52.249 53.050 -0.646 0.000 0.935 367 N CB 0.846 38.868 38.487 -0.775 0.000 1.132 367 N HN 0.633 nan 8.380 nan 0.000 0.511 368 M N 0.099 119.670 119.600 -0.048 0.000 2.117 368 M HA -0.008 -2.725 4.480 -11.994 0.000 0.262 368 M C 1.403 177.768 176.300 0.109 0.000 1.065 368 M CA 0.927 56.332 55.300 0.174 0.000 1.114 368 M CB -1.127 31.612 32.600 0.231 0.000 1.361 368 M HN 0.503 nan 8.290 nan 0.000 0.408 369 G N -0.991 107.879 108.800 0.116 0.000 2.508 369 G HA2 0.501 -2.735 3.960 -11.994 0.000 0.278 369 G HA3 0.501 -2.735 3.960 -11.994 0.000 0.278 369 G C 0.354 175.300 174.900 0.077 0.000 1.389 369 G CA 0.122 45.293 45.100 0.118 0.000 1.050 369 G HN 0.575 nan 8.290 nan 0.000 0.522 370 G N -1.535 107.300 108.800 0.059 0.000 2.350 370 G HA2 0.138 -3.098 3.960 -11.994 0.000 0.085 370 G HA3 0.138 -3.098 3.960 -11.994 0.000 0.085 370 G C -0.993 173.881 174.900 -0.044 0.000 1.159 370 G CA -0.373 44.739 45.100 0.021 0.000 1.146 370 G HN 0.811 nan 8.290 nan 0.000 0.449 371 I N 2.979 123.512 120.570 -0.062 0.000 2.321 371 I HA 0.379 -2.647 4.170 -11.994 0.000 0.291 371 I C -2.312 173.742 176.117 -0.105 0.000 0.998 371 I CA -1.965 59.281 61.300 -0.089 0.000 1.227 371 I CB 2.018 39.969 38.000 -0.082 0.000 1.368 371 I HN 0.051 nan 8.210 nan 0.000 0.466 372 P HA 0.025 nan 4.420 nan 0.000 0.260 372 P C -0.782 176.439 177.300 -0.132 0.000 1.185 372 P CA 0.342 63.361 63.100 -0.134 0.000 0.763 372 P CB 0.351 31.980 31.700 -0.118 0.000 0.776 373 T N 2.991 117.455 114.554 -0.150 0.000 2.881 373 T HA 0.222 -2.625 4.350 -11.994 0.000 0.290 373 T C -0.144 174.473 174.700 -0.137 0.000 1.000 373 T CA -0.715 61.291 62.100 -0.156 0.000 0.978 373 T CB 1.002 69.762 68.868 -0.180 0.000 0.997 373 T HN 0.322 nan 8.240 nan 0.000 0.443 374 N N 1.111 119.736 118.700 -0.125 0.000 2.374 374 N HA -0.027 -2.483 4.740 -11.994 0.000 0.241 374 N C 1.272 176.758 175.510 -0.039 0.000 1.262 374 N CA 0.053 53.058 53.050 -0.074 0.000 0.880 374 N CB 0.509 38.909 38.487 -0.145 0.000 1.105 374 N HN 0.836 nan 8.380 nan 0.000 0.438 375 Y N 1.843 122.130 120.300 -0.022 0.000 2.403 375 Y HA -0.021 -2.668 4.550 -11.995 0.000 0.291 375 Y C 1.301 177.228 175.900 0.046 0.000 1.143 375 Y CA 1.048 59.191 58.100 0.072 0.000 1.257 375 Y CB 0.019 38.508 38.460 0.048 0.000 0.984 375 Y HN 0.424 nan 8.280 nan 0.000 0.550 376 K N 0.196 120.177 120.400 -0.699 0.000 2.387 376 K HA 0.263 -2.613 4.320 -11.994 0.000 0.198 376 K C 1.238 177.776 176.600 -0.104 0.000 1.022 376 K CA 0.482 56.429 56.287 -0.567 0.000 1.128 376 K CB 0.163 32.263 32.500 -0.666 0.000 0.853 376 K HN 0.642 nan 8.250 nan 0.000 0.523 377 G N 1.318 110.094 108.800 -0.039 0.000 2.194 377 G HA2 -0.281 -3.517 3.960 -11.994 0.000 0.236 377 G HA3 -0.281 -3.517 3.960 -11.994 0.000 0.236 377 G C -0.166 174.652 174.900 -0.138 0.000 0.987 377 G CA -0.302 44.846 45.100 0.080 0.000 0.635 377 G HN 0.363 nan 8.290 nan 0.000 0.520 378 Q N 0.504 120.056 119.800 -0.412 0.000 2.337 378 Q HA 0.495 -2.361 4.340 -11.994 0.000 0.270 378 Q C 0.505 176.279 176.000 -0.377 0.000 1.002 378 Q CA -0.298 55.083 55.803 -0.703 0.000 0.888 378 Q CB 1.935 30.337 28.738 -0.560 0.000 1.222 378 Q HN 0.188 nan 8.270 nan 0.000 0.400 379 V N 4.507 124.214 119.914 -0.345 0.000 2.637 379 V HA 0.097 -2.979 4.120 -11.994 0.000 0.296 379 V C 0.133 176.133 176.094 -0.157 0.000 1.046 379 V CA 0.075 62.256 62.300 -0.198 0.000 1.066 379 V CB 0.244 31.977 31.823 -0.149 0.000 0.968 379 V HN 0.548 nan 8.190 nan 0.000 0.483 380 L N 6.183 127.338 121.223 -0.114 0.000 2.331 380 L HA 0.752 -2.104 4.340 -11.994 0.000 0.275 380 L C 0.174 177.023 176.870 -0.035 0.000 1.022 380 L CA -0.690 54.108 54.840 -0.071 0.000 0.812 380 L CB 1.595 43.622 42.059 -0.053 0.000 1.257 380 L HN 0.752 nan 8.230 nan 0.000 0.435 381 R N -0.536 119.966 120.500 0.004 0.000 2.939 381 R HA 0.570 -2.287 4.340 -11.994 0.000 0.254 381 R C -1.173 175.206 176.300 0.132 0.000 1.123 381 R CA -0.978 55.160 56.100 0.063 0.000 1.020 381 R CB 1.361 31.697 30.300 0.060 0.000 1.206 381 R HN 0.490 nan 8.270 nan 0.000 0.491 382 H N 0.319 119.439 119.070 0.082 0.000 2.638 382 H HA 0.448 -2.188 4.556 -11.986 0.000 0.303 382 H C -1.458 173.909 175.328 0.066 0.000 1.034 382 H CA -0.392 55.706 56.048 0.084 0.000 1.225 382 H CB 1.329 31.172 29.762 0.134 0.000 1.394 382 H HN 0.354 nan 8.280 nan 0.000 0.477 383 V N 6.118 125.909 119.914 -0.204 0.000 2.444 383 V HA 0.161 -2.915 4.120 -11.994 0.000 0.294 383 V C 0.504 176.451 176.094 -0.244 0.000 1.022 383 V CA -0.970 61.236 62.300 -0.157 0.000 0.850 383 V CB 1.272 33.042 31.823 -0.088 0.000 0.992 383 V HN 1.126 nan 8.190 nan 0.000 0.426 384 N N 3.871 122.465 118.700 -0.175 0.000 2.705 384 N HA -0.240 -2.697 4.740 -11.994 0.000 0.255 384 N C 1.166 176.556 175.510 -0.200 0.000 1.008 384 N CA 0.712 53.678 53.050 -0.139 0.000 0.742 384 N CB -0.550 37.880 38.487 -0.095 0.000 0.906 384 N HN 1.471 nan 8.380 nan 0.000 0.541 385 G N -0.764 107.852 108.800 -0.306 0.000 2.220 385 G HA2 -0.356 -3.592 3.960 -11.994 0.000 0.269 385 G HA3 -0.356 -3.592 3.960 -11.994 0.000 0.269 385 G C 0.035 174.708 174.900 -0.377 0.000 0.977 385 G CA 1.194 46.149 45.100 -0.241 0.000 0.634 385 G HN 0.641 nan 8.290 nan 0.000 0.539 386 Q N -0.019 119.513 119.800 -0.446 0.000 2.306 386 Q HA 0.576 -2.281 4.340 -11.994 0.000 0.269 386 Q C -0.914 174.954 176.000 -0.220 0.000 1.053 386 Q CA -1.024 54.636 55.803 -0.238 0.000 0.879 386 Q CB 1.049 29.699 28.738 -0.146 0.000 1.344 386 Q HN 0.207 nan 8.270 nan 0.000 0.464 387 D N 1.148 121.507 120.400 -0.068 0.000 2.313 387 D HA 0.224 -2.333 4.640 -11.994 0.000 0.247 387 D C -0.897 175.381 176.300 -0.037 0.000 1.094 387 D CA 0.089 54.081 54.000 -0.014 0.000 0.925 387 D CB 0.908 41.720 40.800 0.021 0.000 1.188 387 D HN 0.249 nan 8.370 nan 0.000 0.430 388 Q N 0.465 120.250 119.800 -0.025 0.000 2.295 388 Q HA 0.368 -2.489 4.340 -11.994 0.000 0.268 388 Q C -1.762 174.213 176.000 -0.043 0.000 1.010 388 Q CA -0.697 55.085 55.803 -0.035 0.000 0.856 388 Q CB 1.701 30.417 28.738 -0.037 0.000 1.349 388 Q HN 0.200 nan 8.270 nan 0.000 0.412 389 V N 3.503 123.383 119.914 -0.057 0.000 2.508 389 V HA 0.157 -2.919 4.120 -11.994 0.000 0.281 389 V C 0.009 176.054 176.094 -0.083 0.000 1.041 389 V CA -0.337 61.910 62.300 -0.089 0.000 1.016 389 V CB 1.182 32.946 31.823 -0.099 0.000 0.984 389 V HN 0.578 nan 8.190 nan 0.000 0.478 390 V N 8.472 128.325 119.914 -0.103 0.000 2.427 390 V HA 0.191 -2.886 4.120 -11.994 0.000 0.268 390 V C -2.076 173.961 176.094 -0.095 0.000 1.046 390 V CA -1.529 60.721 62.300 -0.083 0.000 0.970 390 V CB 0.889 32.665 31.823 -0.079 0.000 1.001 390 V HN 0.792 nan 8.190 nan 0.000 0.476 391 P HA 0.271 nan 4.420 nan 0.000 0.271 391 P C 0.808 178.099 177.300 -0.015 0.000 1.233 391 P CA 0.769 63.847 63.100 -0.036 0.000 0.764 391 P CB 0.661 32.351 31.700 -0.018 0.000 0.825 392 G N 1.966 110.772 108.800 0.011 0.000 2.149 392 G HA2 -0.182 -3.419 3.960 -11.994 0.000 0.235 392 G HA3 -0.182 -3.419 3.960 -11.994 0.000 0.235 392 G C -0.578 174.365 174.900 0.072 0.000 1.018 392 G CA -0.367 44.773 45.100 0.066 0.000 0.728 392 G HN 0.554 nan 8.290 nan 0.000 0.508 393 L N -0.273 120.956 121.223 0.010 0.000 2.436 393 L HA 0.883 -1.973 4.340 -11.994 0.000 0.268 393 L C -1.004 175.786 176.870 -0.133 0.000 0.974 393 L CA -1.782 53.053 54.840 -0.008 0.000 0.826 393 L CB 1.501 43.526 42.059 -0.057 0.000 1.291 393 L HN 0.131 nan 8.230 nan 0.000 0.406 394 Y N 2.557 122.813 120.300 -0.074 0.000 2.576 394 Y HA 0.886 -1.760 4.550 -11.993 0.000 0.346 394 Y C -0.191 175.665 175.900 -0.073 0.000 1.018 394 Y CA -0.541 57.512 58.100 -0.079 0.000 1.050 394 Y CB 2.524 40.930 38.460 -0.090 0.000 1.280 394 Y HN 0.704 nan 8.280 nan 0.000 0.474 395 A N 1.019 123.888 122.820 0.083 0.000 2.517 395 A HA 0.798 -2.078 4.320 -11.994 0.000 0.297 395 A C -1.450 176.152 177.584 0.031 0.000 1.050 395 A CA -0.658 51.394 52.037 0.024 0.000 0.694 395 A CB 0.384 19.363 19.000 -0.034 0.000 1.277 395 A HN 1.089 nan 8.150 nan 0.000 0.400 396 C N 0.354 119.681 119.300 0.044 0.000 2.880 396 C HA 1.041 -1.695 4.460 -11.994 0.000 0.320 396 C C 0.641 175.685 174.990 0.091 0.000 1.176 396 C CA 0.067 59.136 59.018 0.086 0.000 1.390 396 C CB 0.840 28.674 27.740 0.156 0.000 1.846 396 C HN 2.969 nan 8.230 nan 0.000 0.478 397 G N 1.855 110.734 108.800 0.132 0.000 2.418 397 G HA2 -0.103 -3.339 3.960 -11.994 0.000 0.206 397 G HA3 -0.103 -3.339 3.960 -11.994 0.000 0.206 397 G C 0.336 175.315 174.900 0.132 0.000 1.202 397 G CA 0.528 45.721 45.100 0.155 0.000 1.061 397 G HN 1.074 nan 8.290 nan 0.000 0.563 398 E N 0.001 120.243 120.200 0.071 0.000 2.107 398 E HA 0.127 -2.719 4.350 -11.994 0.000 0.191 398 E C 2.787 179.308 176.600 -0.132 0.000 0.982 398 E CA 1.654 57.998 56.400 -0.094 0.000 0.809 398 E CB -0.301 29.268 29.700 -0.219 0.000 0.756 398 E HN 0.895 nan 8.360 nan 0.000 0.459 399 A N 1.096 123.878 122.820 -0.064 0.000 2.015 399 A HA 0.121 -2.756 4.320 -11.994 0.000 0.219 399 A C 1.315 178.879 177.584 -0.033 0.000 1.163 399 A CA 0.951 52.965 52.037 -0.040 0.000 0.646 399 A CB -0.400 18.581 19.000 -0.031 0.000 0.806 399 A HN 0.329 nan 8.150 nan 0.000 0.448 400 A N -1.577 121.226 122.820 -0.028 0.000 2.351 400 A HA 0.429 -2.447 4.320 -11.994 0.000 0.257 400 A C 0.093 177.649 177.584 -0.047 0.000 1.087 400 A CA 0.270 52.277 52.037 -0.050 0.000 0.798 400 A CB 0.164 19.124 19.000 -0.068 0.000 1.033 400 A HN 0.862 nan 8.150 nan 0.000 0.488 401 C N 2.598 121.848 119.300 -0.083 0.000 3.328 401 C HA 0.588 -2.148 4.460 -11.994 0.000 0.230 401 C C 1.282 176.178 174.990 -0.156 0.000 1.232 401 C CA -0.062 58.910 59.018 -0.077 0.000 1.431 401 C CB -0.846 26.863 27.740 -0.051 0.000 1.818 401 C HN 1.023 nan 8.230 nan 0.000 0.484 402 A N 1.974 124.661 122.820 -0.223 0.000 2.206 402 A HA 0.200 -2.676 4.320 -11.994 0.000 0.211 402 A C 1.492 178.977 177.584 -0.165 0.000 1.158 402 A CA 1.230 53.116 52.037 -0.252 0.000 0.761 402 A CB -0.341 18.376 19.000 -0.472 0.000 0.801 402 A HN 1.735 nan 8.150 nan 0.000 0.473 403 S N -1.818 113.819 115.700 -0.105 0.000 3.628 403 S HA -0.152 -2.878 4.470 -11.994 0.000 0.373 403 S C 0.861 175.455 174.600 -0.009 0.000 0.968 403 S CA 0.566 58.760 58.200 -0.010 0.000 1.215 403 S CB -1.774 61.433 63.200 0.012 0.000 0.912 403 S HN 1.155 nan 8.310 nan 0.000 0.495 404 V N 1.862 121.723 119.914 -0.088 0.000 2.809 404 V HA -0.051 -3.128 4.120 -11.994 0.000 0.256 404 V C 1.954 177.909 176.094 -0.232 0.000 1.080 404 V CA 2.007 64.233 62.300 -0.124 0.000 1.102 404 V CB -0.262 31.520 31.823 -0.069 0.000 0.705 404 V HN 0.868 nan 8.190 nan 0.000 0.475 405 H N -0.190 118.892 119.070 0.020 0.000 2.465 405 H HA 0.311 -2.331 4.556 -11.996 0.000 0.289 405 H C 1.634 176.930 175.328 -0.052 0.000 1.022 405 H CA 0.810 56.848 56.048 -0.017 0.000 1.340 405 H CB 0.093 29.867 29.762 0.020 0.000 1.437 405 H HN 0.539 nan 8.280 nan 0.000 0.539 406 G N 0.962 109.797 108.800 0.057 0.000 2.531 406 G HA2 -0.379 -3.616 3.960 -11.994 0.000 0.274 406 G HA3 -0.379 -3.616 3.960 -11.994 0.000 0.274 406 G C 1.313 176.110 174.900 -0.172 0.000 1.159 406 G CA 1.240 46.305 45.100 -0.059 0.000 0.969 406 G HN 0.566 nan 8.290 nan 0.000 0.554 407 A N -0.073 122.626 122.820 -0.202 0.000 2.016 407 A HA 0.341 -2.535 4.320 -11.994 0.000 0.217 407 A C 1.119 178.765 177.584 0.104 0.000 1.162 407 A CA 1.987 53.924 52.037 -0.168 0.000 0.662 407 A CB -0.150 18.867 19.000 0.028 0.000 0.812 407 A HN 1.117 nan 8.150 nan 0.000 0.450 408 N N -0.430 118.306 118.700 0.060 0.000 2.425 408 N HA 0.194 -2.262 4.740 -11.994 0.000 0.289 408 N C -1.170 174.365 175.510 0.042 0.000 1.074 408 N CA -0.517 52.581 53.050 0.080 0.000 0.905 408 N CB 1.428 39.959 38.487 0.074 0.000 1.586 408 N HN 0.329 nan 8.380 nan 0.000 0.490 409 R N 3.633 124.154 120.500 0.034 0.000 2.438 409 R HA 0.239 -2.618 4.340 -11.994 0.000 0.287 409 R C -0.425 175.862 176.300 -0.023 0.000 1.077 409 R CA -0.333 55.760 56.100 -0.012 0.000 1.034 409 R CB 0.621 30.732 30.300 -0.316 0.000 0.993 409 R HN 0.417 nan 8.270 nan 0.000 0.459 410 L N 2.565 123.792 121.223 0.006 0.000 2.464 410 L HA 0.231 -2.626 4.340 -11.994 0.000 0.264 410 L C 0.846 177.734 176.870 0.030 0.000 1.199 410 L CA 0.737 55.580 54.840 0.006 0.000 0.818 410 L CB 0.889 42.951 42.059 0.005 0.000 1.102 410 L HN 0.844 nan 8.230 nan 0.000 0.473 411 G N 2.050 110.916 108.800 0.109 0.000 2.298 411 G HA2 0.380 -2.856 3.960 -11.994 0.000 0.263 411 G HA3 0.380 -2.856 3.960 -11.994 0.000 0.263 411 G C 0.633 175.430 174.900 -0.171 0.000 1.229 411 G CA 0.317 45.556 45.100 0.232 0.000 0.976 411 G HN 1.316 nan 8.290 nan 0.000 0.459 412 A N 2.507 125.183 122.820 -0.240 0.000 2.905 412 A HA -0.178 -3.054 4.320 -11.994 0.000 0.260 412 A C 1.548 179.063 177.584 -0.115 0.000 1.398 412 A CA 0.987 52.839 52.037 -0.309 0.000 0.840 412 A CB -1.799 16.780 19.000 -0.702 0.000 1.059 412 A HN 0.638 nan 8.150 nan 0.000 0.647 413 N N -0.603 118.084 118.700 -0.020 0.000 2.353 413 N HA 0.116 -2.340 4.740 -11.994 0.000 0.185 413 N C 1.663 177.282 175.510 0.181 0.000 1.098 413 N CA 1.114 54.220 53.050 0.093 0.000 0.872 413 N CB 0.174 38.734 38.487 0.121 0.000 0.970 413 N HN 0.636 nan 8.380 nan 0.000 0.467 414 S N 0.143 115.893 115.700 0.083 0.000 2.362 414 S HA 0.134 -2.592 4.470 -11.994 0.000 0.221 414 S C 1.730 176.440 174.600 0.182 0.000 1.032 414 S CA 0.488 58.766 58.200 0.129 0.000 0.973 414 S CB -0.086 63.090 63.200 -0.040 0.000 0.849 414 S HN 0.231 nan 8.310 nan 0.000 0.465 415 L N 1.095 122.392 121.223 0.123 0.000 2.265 415 L HA -0.082 -2.938 4.340 -11.994 0.000 0.215 415 L C 2.360 179.308 176.870 0.129 0.000 1.117 415 L CA 0.580 55.495 54.840 0.126 0.000 0.782 415 L CB -0.519 41.598 42.059 0.097 0.000 0.914 415 L HN 0.356 nan 8.230 nan 0.000 0.441 416 L N 0.668 121.965 121.223 0.123 0.000 2.023 416 L HA -0.194 -3.050 4.340 -11.994 0.000 0.205 416 L C 2.152 179.107 176.870 0.142 0.000 1.073 416 L CA 2.086 56.988 54.840 0.104 0.000 0.745 416 L CB -0.563 41.555 42.059 0.098 0.000 0.900 416 L HN 0.255 nan 8.230 nan 0.000 0.435 417 D N -0.903 119.645 120.400 0.248 0.000 2.190 417 D HA -0.253 -2.810 4.640 -11.994 0.000 0.200 417 D C 1.986 178.538 176.300 0.420 0.000 0.992 417 D CA 1.531 55.794 54.000 0.437 0.000 0.854 417 D CB -0.043 41.068 40.800 0.517 0.000 0.936 417 D HN 0.251 nan 8.370 nan 0.000 0.462 418 L N -0.078 121.312 121.223 0.278 0.000 1.948 418 L HA -0.113 -2.969 4.340 -11.994 0.000 0.212 418 L C 2.760 179.734 176.870 0.174 0.000 1.074 418 L CA 1.203 56.174 54.840 0.218 0.000 0.753 418 L CB -0.976 41.189 42.059 0.176 0.000 0.888 418 L HN 0.057 nan 8.230 nan 0.000 0.432 419 V N -1.434 118.559 119.914 0.131 0.000 2.358 419 V HA -0.233 -3.309 4.120 -11.994 0.000 0.246 419 V C 2.379 178.490 176.094 0.029 0.000 1.047 419 V CA 1.342 63.696 62.300 0.091 0.000 1.035 419 V CB -0.462 31.418 31.823 0.095 0.000 0.658 419 V HN 0.247 nan 8.190 nan 0.000 0.452 420 V N -0.638 119.257 119.914 -0.031 0.000 2.270 420 V HA -0.217 -3.293 4.120 -11.994 0.000 0.245 420 V C 2.145 178.145 176.094 -0.157 0.000 1.043 420 V CA 2.245 64.429 62.300 -0.193 0.000 1.014 420 V CB -0.678 30.904 31.823 -0.402 0.000 0.645 420 V HN 0.475 nan 8.190 nan 0.000 0.447 421 F N 0.767 120.792 119.950 0.125 0.000 2.456 421 F HA 0.122 -2.546 4.527 -11.992 0.000 0.298 421 F C 2.336 178.168 175.800 0.053 0.000 1.104 421 F CA 0.913 58.983 58.000 0.116 0.000 1.435 421 F CB -0.803 38.264 39.000 0.112 0.000 1.078 421 F HN 0.202 nan 8.300 nan 0.000 0.546 422 G N 0.226 109.132 108.800 0.175 0.000 2.421 422 G HA2 -0.274 -3.511 3.960 -11.994 0.000 0.216 422 G HA3 -0.274 -3.511 3.960 -11.994 0.000 0.216 422 G C 1.728 176.607 174.900 -0.036 0.000 1.171 422 G CA 0.688 45.821 45.100 0.054 0.000 0.775 422 G HN 0.235 nan 8.290 nan 0.000 0.543 423 R N 0.541 121.019 120.500 -0.036 0.000 2.081 423 R HA 0.032 -2.825 4.340 -11.994 0.000 0.235 423 R C 2.851 179.121 176.300 -0.049 0.000 1.131 423 R CA 1.436 57.489 56.100 -0.079 0.000 0.960 423 R CB -0.373 29.894 30.300 -0.056 0.000 0.856 423 R HN 0.290 nan 8.270 nan 0.000 0.436 424 A N 0.400 123.242 122.820 0.036 0.000 1.902 424 A HA -0.189 -3.066 4.320 -11.994 0.000 0.217 424 A C 2.445 180.008 177.584 -0.034 0.000 1.181 424 A CA 1.608 53.670 52.037 0.042 0.000 0.623 424 A CB -0.982 18.096 19.000 0.130 0.000 0.818 424 A HN 0.588 nan 8.150 nan 0.000 0.443 425 C N -1.087 118.199 119.300 -0.024 0.000 2.422 425 C HA 0.063 -2.673 4.460 -11.994 0.000 0.279 425 C C 3.265 177.999 174.990 -0.427 0.000 1.305 425 C CA 0.742 59.652 59.018 -0.180 0.000 1.757 425 C CB -1.363 26.320 27.740 -0.096 0.000 1.962 425 C HN 0.695 nan 8.230 nan 0.000 0.499 426 A N 0.301 122.934 122.820 -0.312 0.000 1.854 426 A HA -0.029 -2.905 4.320 -11.994 0.000 0.214 426 A C 2.076 179.465 177.584 -0.326 0.000 1.192 426 A CA 1.224 53.040 52.037 -0.368 0.000 0.611 426 A CB -0.616 18.190 19.000 -0.324 0.000 0.832 426 A HN 0.543 nan 8.150 nan 0.000 0.442 427 L N -0.186 120.912 121.223 -0.208 0.000 2.042 427 L HA -0.176 -3.032 4.340 -11.994 0.000 0.210 427 L C 2.749 179.532 176.870 -0.144 0.000 1.076 427 L CA 1.565 56.321 54.840 -0.140 0.000 0.749 427 L CB -0.373 41.643 42.059 -0.071 0.000 0.893 427 L HN 0.306 nan 8.230 nan 0.000 0.432 428 S N -0.403 115.199 115.700 -0.164 0.000 2.453 428 S HA -0.013 -2.740 4.470 -11.994 0.000 0.231 428 S C 1.889 176.413 174.600 -0.127 0.000 1.005 428 S CA 0.891 59.034 58.200 -0.094 0.000 0.949 428 S CB -0.121 63.108 63.200 0.048 0.000 0.774 428 S HN 0.301 nan 8.310 nan 0.000 0.510 429 I N 1.244 121.602 120.570 -0.354 0.000 2.480 429 I HA -0.041 -3.067 4.170 -11.994 0.000 0.251 429 I C 2.544 178.522 176.117 -0.233 0.000 1.124 429 I CA 0.811 61.884 61.300 -0.378 0.000 1.444 429 I CB -0.335 37.257 38.000 -0.680 0.000 1.098 429 I HN 0.235 nan 8.210 nan 0.000 0.428 430 A N 0.219 122.895 122.820 -0.239 0.000 2.067 430 A HA -0.154 -3.030 4.320 -11.994 0.000 0.219 430 A C 2.131 179.752 177.584 0.062 0.000 1.158 430 A CA 1.441 53.481 52.037 0.005 0.000 0.661 430 A CB -0.359 18.634 19.000 -0.013 0.000 0.801 430 A HN 0.433 nan 8.150 nan 0.000 0.452 431 E N -0.385 119.816 120.200 0.002 0.000 2.127 431 E HA -0.072 -2.918 4.350 -11.994 0.000 0.191 431 E C 2.385 179.002 176.600 0.030 0.000 0.964 431 E CA 0.860 57.270 56.400 0.016 0.000 0.832 431 E CB 0.032 29.728 29.700 -0.006 0.000 0.790 431 E HN 0.744 nan 8.360 nan 0.000 0.465 432 S N 0.458 116.175 115.700 0.028 0.000 2.357 432 S HA -0.082 -2.808 4.470 -11.994 0.000 0.221 432 S C 1.354 175.989 174.600 0.059 0.000 1.031 432 S CA 0.667 58.892 58.200 0.042 0.000 0.982 432 S CB -0.542 62.691 63.200 0.056 0.000 0.853 432 S HN 0.416 nan 8.310 nan 0.000 0.458 433 C N 0.502 119.857 119.300 0.091 0.000 2.973 433 C HA 0.875 -1.862 4.460 -11.994 0.000 0.329 433 C C -0.483 174.615 174.990 0.181 0.000 1.327 433 C CA -1.341 57.747 59.018 0.116 0.000 1.632 433 C CB 1.361 29.174 27.740 0.122 0.000 2.098 433 C HN 0.406 nan 8.230 nan 0.000 0.469 434 R N 1.118 121.683 120.500 0.110 0.000 2.732 434 R HA 0.663 -2.194 4.340 -11.994 0.000 0.278 434 R C -2.831 173.364 176.300 -0.173 0.000 0.976 434 R CA -1.686 54.414 56.100 0.001 0.000 0.963 434 R CB 1.471 31.746 30.300 -0.043 0.000 1.150 434 R HN 0.646 nan 8.270 nan 0.000 0.478 435 P HA 0.108 nan 4.420 nan 0.000 0.280 435 P C 0.440 177.539 177.300 -0.334 0.000 1.244 435 P CA 0.237 62.852 63.100 -0.808 0.000 0.784 435 P CB 0.839 31.708 31.700 -1.384 0.000 0.913 436 G N 1.790 110.476 108.800 -0.189 0.000 2.175 436 G HA2 -0.176 -3.413 3.960 -11.994 0.000 0.244 436 G HA3 -0.176 -3.413 3.960 -11.994 0.000 0.244 436 G C -0.141 174.722 174.900 -0.061 0.000 0.982 436 G CA -0.234 44.803 45.100 -0.106 0.000 0.641 436 G HN 0.508 nan 8.290 nan 0.000 0.527 437 D N 0.579 120.952 120.400 -0.045 0.000 2.357 437 D HA 0.376 -2.180 4.640 -11.994 0.000 0.242 437 D C 0.829 177.132 176.300 0.004 0.000 1.153 437 D CA -0.185 53.808 54.000 -0.011 0.000 0.918 437 D CB 0.529 41.336 40.800 0.011 0.000 1.181 437 D HN 0.039 nan 8.370 nan 0.000 0.435 438 K N 1.164 121.567 120.400 0.006 0.000 2.437 438 K HA 0.007 -2.869 4.320 -11.994 0.000 0.277 438 K C -1.039 175.573 176.600 0.020 0.000 1.073 438 K CA 0.026 56.318 56.287 0.008 0.000 1.105 438 K CB -0.015 32.488 32.500 0.006 0.000 0.881 438 K HN 0.176 nan 8.250 nan 0.000 0.475 439 V N 8.830 128.756 119.914 0.020 0.000 2.439 439 V HA 0.075 -3.002 4.120 -11.994 0.000 0.271 439 V C -1.698 174.411 176.094 0.026 0.000 1.040 439 V CA -1.391 60.928 62.300 0.032 0.000 1.002 439 V CB 0.643 32.487 31.823 0.035 0.000 1.000 439 V HN 0.710 nan 8.190 nan 0.000 0.477 440 P HA 0.074 nan 4.420 nan 0.000 0.264 440 P C -0.064 177.248 177.300 0.020 0.000 1.193 440 P CA 0.065 63.178 63.100 0.021 0.000 0.763 440 P CB 0.560 32.273 31.700 0.023 0.000 0.810 441 S N 3.274 118.982 115.700 0.014 0.000 2.548 441 S HA 0.382 -2.345 4.470 -11.994 0.000 0.277 441 S C 0.074 174.681 174.600 0.011 0.000 1.315 441 S CA -0.666 57.541 58.200 0.012 0.000 1.050 441 S CB 0.385 63.590 63.200 0.007 0.000 0.918 441 S HN 0.418 nan 8.310 nan 0.000 0.497 442 I N 1.521 122.099 120.570 0.012 0.000 2.607 442 I HA 0.397 -2.629 4.170 -11.994 0.000 0.305 442 I C -0.054 176.067 176.117 0.007 0.000 0.995 442 I CA -0.980 60.327 61.300 0.011 0.000 1.148 442 I CB 1.407 39.416 38.000 0.015 0.000 1.323 442 I HN 0.706 nan 8.210 nan 0.000 0.461 443 K N 7.301 127.704 120.400 0.005 0.000 2.448 443 K HA 0.099 -2.778 4.320 -11.994 0.000 0.278 443 K C -1.779 174.823 176.600 0.003 0.000 1.009 443 K CA -0.879 55.410 56.287 0.003 0.000 0.995 443 K CB 0.183 32.684 32.500 0.001 0.000 0.917 443 K HN 0.417 nan 8.250 nan 0.000 0.481 444 P HA -0.123 nan 4.420 nan 0.000 0.225 444 P C 0.119 177.421 177.300 0.002 0.000 1.148 444 P CA 1.132 64.233 63.100 0.002 0.000 0.779 444 P CB 0.232 31.932 31.700 0.001 0.000 0.780 445 N N -0.900 117.801 118.700 0.001 0.000 2.373 445 N HA 0.098 -2.358 4.740 -11.994 0.000 0.181 445 N C 0.727 176.237 175.510 0.000 0.000 1.082 445 N CA -0.030 53.020 53.050 0.001 0.000 0.885 445 N CB 0.182 38.668 38.487 -0.001 0.000 0.977 445 N HN 0.083 nan 8.380 nan 0.000 0.462 446 A N 0.388 123.208 122.820 0.001 0.000 2.406 446 A HA 0.444 -2.433 4.320 -11.994 0.000 0.243 446 A C 1.339 178.924 177.584 0.001 0.000 1.082 446 A CA 0.731 52.769 52.037 0.001 0.000 0.786 446 A CB -0.203 18.799 19.000 0.003 0.000 1.029 446 A HN 0.353 nan 8.150 nan 0.000 0.495 447 G N 0.275 109.074 108.800 -0.002 0.000 2.147 447 G HA2 -0.263 -3.500 3.960 -11.994 0.000 0.244 447 G HA3 -0.263 -3.500 3.960 -11.994 0.000 0.244 447 G C 0.602 175.495 174.900 -0.011 0.000 1.005 447 G CA 0.904 46.001 45.100 -0.005 0.000 0.713 447 G HN 0.953 nan 8.290 nan 0.000 0.515 448 E N -0.303 119.891 120.200 -0.009 0.000 2.028 448 E HA -0.076 -2.922 4.350 -11.994 0.000 0.191 448 E C 2.043 178.634 176.600 -0.016 0.000 0.988 448 E CA 1.348 57.743 56.400 -0.010 0.000 0.799 448 E CB 0.001 29.697 29.700 -0.007 0.000 0.755 448 E HN 0.696 nan 8.360 nan 0.000 0.447 449 E N -0.578 119.613 120.200 -0.015 0.000 2.479 449 E HA 0.063 -2.784 4.350 -11.994 0.000 0.193 449 E C 1.649 178.236 176.600 -0.022 0.000 1.049 449 E CA -0.106 56.283 56.400 -0.018 0.000 0.870 449 E CB 0.547 30.239 29.700 -0.013 0.000 0.944 449 E HN 0.052 nan 8.360 nan 0.000 0.492 450 S N 0.061 115.746 115.700 -0.024 0.000 2.406 450 S HA -0.096 -2.822 4.470 -11.994 0.000 0.228 450 S C 2.053 176.615 174.600 -0.064 0.000 1.020 450 S CA 0.584 58.767 58.200 -0.029 0.000 0.965 450 S CB 0.133 63.322 63.200 -0.018 0.000 0.798 450 S HN 0.089 nan 8.310 nan 0.000 0.488 451 V N 1.969 121.834 119.914 -0.081 0.000 2.323 451 V HA -0.116 -3.192 4.120 -11.994 0.000 0.244 451 V C 2.277 178.311 176.094 -0.099 0.000 1.041 451 V CA 1.464 63.678 62.300 -0.144 0.000 1.025 451 V CB -0.581 31.177 31.823 -0.109 0.000 0.656 451 V HN 0.458 nan 8.190 nan 0.000 0.451 452 M N 0.242 119.813 119.600 -0.048 0.000 2.108 452 M HA -0.215 -2.931 4.480 -11.994 0.000 0.261 452 M C 2.310 178.592 176.300 -0.029 0.000 1.066 452 M CA 1.893 57.175 55.300 -0.029 0.000 1.107 452 M CB -0.696 31.889 32.600 -0.025 0.000 1.356 452 M HN 0.524 nan 8.290 nan 0.000 0.406 453 N N 0.804 119.484 118.700 -0.034 0.000 2.142 453 N HA -0.169 -2.625 4.740 -11.994 0.000 0.186 453 N C 1.819 177.307 175.510 -0.036 0.000 1.023 453 N CA 0.986 54.017 53.050 -0.030 0.000 0.852 453 N CB -0.037 38.437 38.487 -0.023 0.000 0.998 453 N HN 0.294 nan 8.380 nan 0.000 0.424 454 L N 1.562 122.747 121.223 -0.064 0.000 2.046 454 L HA -0.168 -3.024 4.340 -11.994 0.000 0.208 454 L C 1.748 178.608 176.870 -0.017 0.000 1.077 454 L CA 2.028 56.815 54.840 -0.088 0.000 0.747 454 L CB -1.298 40.645 42.059 -0.193 0.000 0.896 454 L HN 0.143 nan 8.230 nan 0.000 0.432 455 D N -0.272 120.138 120.400 0.018 0.000 2.183 455 D HA -0.202 -2.759 4.640 -11.994 0.000 0.203 455 D C 2.108 178.528 176.300 0.200 0.000 0.969 455 D CA 0.857 54.971 54.000 0.190 0.000 0.842 455 D CB 0.222 41.134 40.800 0.188 0.000 0.957 455 D HN 0.114 nan 8.370 nan 0.000 0.484 456 K N -0.253 120.196 120.400 0.081 0.000 2.103 456 K HA -0.005 -2.882 4.320 -11.994 0.000 0.204 456 K C 1.808 178.457 176.600 0.081 0.000 1.052 456 K CA 0.753 57.078 56.287 0.063 0.000 0.945 456 K CB -0.468 32.032 32.500 0.001 0.000 0.722 456 K HN 0.093 nan 8.250 nan 0.000 0.443 457 L N 0.917 122.168 121.223 0.048 0.000 2.291 457 L HA 0.056 -2.800 4.340 -11.994 0.000 0.214 457 L C 2.446 179.338 176.870 0.036 0.000 1.120 457 L CA 1.255 56.107 54.840 0.020 0.000 0.799 457 L CB -0.479 41.568 42.059 -0.020 0.000 0.925 457 L HN 0.183 nan 8.230 nan 0.000 0.446 458 R N -1.078 119.476 120.500 0.091 0.000 2.093 458 R HA -0.048 -2.904 4.340 -11.994 0.000 0.224 458 R C 1.807 178.096 176.300 -0.018 0.000 1.101 458 R CA 1.270 57.403 56.100 0.056 0.000 0.979 458 R CB -0.197 30.187 30.300 0.140 0.000 0.877 458 R HN 0.300 nan 8.270 nan 0.000 0.441 459 F N 1.048 120.996 119.950 -0.004 0.000 2.765 459 F HA 0.325 -2.345 4.527 -11.994 0.000 0.302 459 F C 1.013 176.783 175.800 -0.049 0.000 1.111 459 F CA -0.040 57.947 58.000 -0.021 0.000 1.359 459 F CB 0.073 39.066 39.000 -0.013 0.000 1.097 459 F HN -0.046 nan 8.300 nan 0.000 0.577 460 A N 1.344 124.215 122.820 0.084 0.000 2.591 460 A HA -0.173 -3.049 4.320 -11.994 0.000 0.244 460 A C 0.722 178.277 177.584 -0.050 0.000 1.031 460 A CA 0.678 52.722 52.037 0.011 0.000 0.767 460 A CB -0.451 18.541 19.000 -0.013 0.000 0.942 460 A HN 0.594 nan 8.150 nan 0.000 0.514 461 N N 2.244 120.917 118.700 -0.045 0.000 2.610 461 N HA 0.271 -2.185 4.740 -11.994 0.000 0.307 461 N C 0.651 176.119 175.510 -0.071 0.000 1.813 461 N CA 0.163 53.165 53.050 -0.079 0.000 0.901 461 N CB 0.207 38.671 38.487 -0.038 0.000 1.354 461 N HN 0.794 nan 8.380 nan 0.000 0.491 462 G N -0.904 107.855 108.800 -0.068 0.000 2.666 462 G HA2 0.049 -3.187 3.960 -11.994 0.000 0.207 462 G HA3 0.049 -3.187 3.960 -11.994 0.000 0.207 462 G C 0.533 175.425 174.900 -0.013 0.000 1.481 462 G CA 0.323 45.406 45.100 -0.027 0.000 1.071 462 G HN 0.156 nan 8.290 nan 0.000 0.572 463 T N -1.635 112.941 114.554 0.036 0.000 2.980 463 T HA 0.307 -2.540 4.350 -11.994 0.000 0.252 463 T C 0.522 175.258 174.700 0.059 0.000 0.962 463 T CA -0.271 61.856 62.100 0.045 0.000 0.932 463 T CB -0.084 68.819 68.868 0.058 0.000 1.188 463 T HN 0.197 nan 8.240 nan 0.000 0.500 464 I N 3.164 123.776 120.570 0.069 0.000 2.321 464 I HA 0.448 -2.578 4.170 -11.994 0.000 0.291 464 I C 0.279 176.448 176.117 0.086 0.000 0.998 464 I CA -0.955 60.386 61.300 0.068 0.000 1.227 464 I CB 1.403 39.434 38.000 0.053 0.000 1.368 464 I HN 0.092 nan 8.210 nan 0.000 0.466 465 R N 3.938 124.504 120.500 0.110 0.000 2.623 465 R HA 0.060 -2.796 4.340 -11.994 0.000 0.271 465 R C 0.802 177.164 176.300 0.104 0.000 1.043 465 R CA 0.185 56.374 56.100 0.149 0.000 1.083 465 R CB 0.780 31.166 30.300 0.143 0.000 0.974 465 R HN 0.749 nan 8.270 nan 0.000 0.436 466 T N 1.572 116.195 114.554 0.115 0.000 2.684 466 T HA -0.148 -2.994 4.350 -11.994 0.000 0.267 466 T C 1.660 176.399 174.700 0.066 0.000 1.036 466 T CA 1.973 64.120 62.100 0.079 0.000 1.148 466 T CB -0.097 68.819 68.868 0.080 0.000 0.863 466 T HN 0.627 nan 8.240 nan 0.000 0.436 467 S N 1.296 117.036 115.700 0.067 0.000 2.428 467 S HA -0.040 -2.767 4.470 -11.994 0.000 0.230 467 S C 1.992 176.627 174.600 0.059 0.000 1.014 467 S CA 0.735 58.972 58.200 0.061 0.000 0.957 467 S CB -0.205 63.025 63.200 0.050 0.000 0.784 467 S HN 0.601 nan 8.310 nan 0.000 0.499 468 E N 0.452 120.685 120.200 0.055 0.000 2.285 468 E HA 0.056 -2.790 4.350 -11.994 0.000 0.194 468 E C 1.733 178.359 176.600 0.043 0.000 0.997 468 E CA 0.271 56.699 56.400 0.047 0.000 0.845 468 E CB -0.037 29.689 29.700 0.044 0.000 0.782 468 E HN 0.248 nan 8.360 nan 0.000 0.491 469 L N 0.809 122.059 121.223 0.045 0.000 2.270 469 L HA 0.011 -2.845 4.340 -11.994 0.000 0.210 469 L C 2.247 179.142 176.870 0.042 0.000 1.104 469 L CA 1.116 55.979 54.840 0.038 0.000 0.804 469 L CB -0.046 42.034 42.059 0.035 0.000 0.937 469 L HN -0.093 nan 8.230 nan 0.000 0.450 470 R N -0.696 119.835 120.500 0.051 0.000 2.066 470 R HA -0.165 -3.022 4.340 -11.994 0.000 0.232 470 R C 2.182 178.522 176.300 0.068 0.000 1.131 470 R CA 1.886 58.022 56.100 0.060 0.000 0.955 470 R CB -0.471 29.871 30.300 0.070 0.000 0.851 470 R HN 0.353 nan 8.270 nan 0.000 0.432 471 L N 0.953 122.220 121.223 0.073 0.000 2.201 471 L HA -0.045 -2.901 4.340 -11.994 0.000 0.212 471 L C 2.076 178.978 176.870 0.054 0.000 1.105 471 L CA 1.433 56.322 54.840 0.083 0.000 0.775 471 L CB -0.136 41.969 42.059 0.077 0.000 0.913 471 L HN 0.116 nan 8.230 nan 0.000 0.440 472 S N -0.778 114.946 115.700 0.040 0.000 2.368 472 S HA -0.234 -2.961 4.470 -11.994 0.000 0.225 472 S C 1.904 176.521 174.600 0.029 0.000 1.030 472 S CA 1.809 60.026 58.200 0.029 0.000 0.999 472 S CB -0.348 62.866 63.200 0.023 0.000 0.844 472 S HN 0.561 nan 8.310 nan 0.000 0.459 473 M N 1.294 120.912 119.600 0.031 0.000 2.099 473 M HA -0.164 -2.880 4.480 -11.994 0.000 0.262 473 M C 2.157 178.462 176.300 0.008 0.000 1.067 473 M CA 1.514 56.823 55.300 0.015 0.000 1.124 473 M CB -0.316 32.295 32.600 0.018 0.000 1.353 473 M HN 0.269 nan 8.290 nan 0.000 0.410 474 Q N 0.212 120.041 119.800 0.048 0.000 2.050 474 Q HA -0.186 -3.043 4.340 -11.994 0.000 0.202 474 Q C 2.022 178.110 176.000 0.147 0.000 0.980 474 Q CA 1.701 57.562 55.803 0.097 0.000 0.840 474 Q CB -0.095 28.754 28.738 0.186 0.000 0.898 474 Q HN 0.545 nan 8.270 nan 0.000 0.424 475 K N -0.109 120.353 120.400 0.104 0.000 2.155 475 K HA 0.001 -2.875 4.320 -11.994 0.000 0.203 475 K C 2.167 178.843 176.600 0.127 0.000 1.052 475 K CA 0.866 57.194 56.287 0.069 0.000 0.948 475 K CB 0.128 32.598 32.500 -0.049 0.000 0.728 475 K HN 0.023 nan 8.250 nan 0.000 0.448 476 S N 0.744 116.515 115.700 0.119 0.000 2.428 476 S HA -0.016 -2.742 4.470 -11.994 0.000 0.230 476 S C 1.814 176.548 174.600 0.223 0.000 1.014 476 S CA 0.880 59.189 58.200 0.181 0.000 0.957 476 S CB 0.041 63.253 63.200 0.019 0.000 0.784 476 S HN 0.209 nan 8.310 nan 0.000 0.499 477 M N 0.771 120.420 119.600 0.081 0.000 2.248 477 M HA 0.075 -2.641 4.480 -11.994 0.000 0.265 477 M C 2.307 178.788 176.300 0.301 0.000 1.079 477 M CA 1.155 56.450 55.300 -0.008 0.000 1.150 477 M CB -1.329 30.941 32.600 -0.549 0.000 1.366 477 M HN 0.224 nan 8.290 nan 0.000 0.433 478 Q N 1.004 121.029 119.800 0.375 0.000 2.135 478 Q HA -0.127 -2.983 4.340 -11.994 0.000 0.204 478 Q C 2.043 178.242 176.000 0.332 0.000 0.981 478 Q CA 2.706 58.815 55.803 0.511 0.000 0.856 478 Q CB -0.134 28.875 28.738 0.452 0.000 0.902 478 Q HN 0.583 nan 8.270 nan 0.000 0.425 479 S N -1.858 113.973 115.700 0.217 0.000 2.404 479 S HA -0.046 -2.773 4.470 -11.994 0.000 0.223 479 S C 1.558 176.148 174.600 -0.017 0.000 1.040 479 S CA 0.780 59.010 58.200 0.049 0.000 0.957 479 S CB -0.467 62.682 63.200 -0.084 0.000 0.826 479 S HN 0.518 nan 8.310 nan 0.000 0.491 480 H N 2.367 121.508 119.070 0.118 0.000 2.329 480 H HA 0.519 -2.123 4.556 -11.996 0.000 0.306 480 H C 1.127 176.529 175.328 0.123 0.000 1.062 480 H CA 1.089 57.194 56.048 0.094 0.000 1.364 480 H CB -0.196 29.604 29.762 0.063 0.000 1.409 480 H HN 0.561 nan 8.280 nan 0.000 0.519 481 A N 0.610 123.625 122.820 0.326 0.000 2.690 481 A HA 0.713 -2.163 4.320 -11.994 0.000 0.342 481 A C 0.065 177.891 177.584 0.402 0.000 1.410 481 A CA 0.118 52.344 52.037 0.314 0.000 0.958 481 A CB -0.471 18.724 19.000 0.324 0.000 1.153 481 A HN 0.467 nan 8.150 nan 0.000 0.497 482 A N 1.208 124.158 122.820 0.218 0.000 3.837 482 A HA 0.714 -2.162 4.320 -11.994 0.000 0.159 482 A C 1.305 178.698 177.584 -0.319 0.000 1.157 482 A CA 0.366 52.456 52.037 0.089 0.000 0.890 482 A CB -0.493 18.522 19.000 0.024 0.000 1.553 482 A HN 0.710 nan 8.150 nan 0.000 0.642 483 V N -0.825 118.569 119.914 -0.867 0.000 2.233 483 V HA -0.135 -3.211 4.120 -11.994 0.000 0.247 483 V C 0.668 176.394 176.094 -0.614 0.000 1.050 483 V CA 1.574 63.313 62.300 -0.936 0.000 1.010 483 V CB -0.979 30.358 31.823 -0.809 0.000 0.637 483 V HN 0.469 nan 8.190 nan 0.000 0.444 484 F N 0.975 120.772 119.950 -0.255 0.000 2.421 484 F HA 0.660 -2.010 4.527 -11.994 0.000 0.337 484 F C 0.504 176.228 175.800 -0.126 0.000 1.105 484 F CA -0.750 57.150 58.000 -0.167 0.000 1.049 484 F CB 1.046 39.969 39.000 -0.127 0.000 1.139 484 F HN 0.122 nan 8.300 nan 0.000 0.479 485 R N 1.658 122.181 120.500 0.039 0.000 2.626 485 R HA 0.848 -2.008 4.340 -11.994 0.000 0.274 485 R C -1.953 174.359 176.300 0.020 0.000 1.031 485 R CA -1.107 55.005 56.100 0.021 0.000 0.898 485 R CB 1.621 31.921 30.300 0.000 0.000 1.222 485 R HN 0.452 nan 8.270 nan 0.000 0.455 486 V N -1.558 118.382 119.914 0.043 0.000 2.914 486 V HA 0.633 -2.443 4.120 -11.994 0.000 0.314 486 V C 1.109 177.241 176.094 0.065 0.000 1.084 486 V CA -0.360 61.972 62.300 0.053 0.000 0.963 486 V CB 1.744 33.589 31.823 0.037 0.000 1.025 486 V HN 0.901 nan 8.190 nan 0.000 0.432 487 G N 1.015 109.869 108.800 0.089 0.000 2.479 487 G HA2 -0.159 -3.395 3.960 -11.994 0.000 0.220 487 G HA3 -0.159 -3.395 3.960 -11.994 0.000 0.220 487 G C 1.224 176.159 174.900 0.058 0.000 1.115 487 G CA 1.254 46.405 45.100 0.085 0.000 0.757 487 G HN 0.773 nan 8.290 nan 0.000 0.560 488 S N -0.305 115.426 115.700 0.052 0.000 2.357 488 S HA -0.051 -2.777 4.470 -11.994 0.000 0.221 488 S C 2.430 177.062 174.600 0.053 0.000 1.031 488 S CA 1.057 59.282 58.200 0.041 0.000 0.982 488 S CB -0.068 63.149 63.200 0.028 0.000 0.853 488 S HN 0.202 nan 8.310 nan 0.000 0.458 489 V N 1.834 121.786 119.914 0.064 0.000 2.649 489 V HA 0.050 -3.026 4.120 -11.994 0.000 0.248 489 V C 2.030 178.227 176.094 0.171 0.000 1.054 489 V CA 0.958 63.323 62.300 0.109 0.000 1.073 489 V CB -0.665 31.189 31.823 0.052 0.000 0.699 489 V HN 0.357 nan 8.190 nan 0.000 0.463 490 L N -0.623 120.659 121.223 0.098 0.000 2.056 490 L HA -0.141 -2.998 4.340 -11.994 0.000 0.207 490 L C 2.784 179.643 176.870 -0.019 0.000 1.078 490 L CA 1.300 56.176 54.840 0.059 0.000 0.749 490 L CB -0.583 41.500 42.059 0.040 0.000 0.901 490 L HN 0.280 nan 8.230 nan 0.000 0.433 491 Q N -0.020 119.769 119.800 -0.019 0.000 2.061 491 Q HA -0.289 -3.146 4.340 -11.994 0.000 0.204 491 Q C 2.094 178.056 176.000 -0.062 0.000 0.984 491 Q CA 1.824 57.591 55.803 -0.061 0.000 0.846 491 Q CB -0.174 28.552 28.738 -0.021 0.000 0.902 491 Q HN 0.547 nan 8.270 nan 0.000 0.421 492 E N -0.579 119.619 120.200 -0.002 0.000 2.077 492 E HA -0.144 -2.991 4.350 -11.994 0.000 0.193 492 E C 1.929 178.455 176.600 -0.123 0.000 0.989 492 E CA 1.061 57.460 56.400 -0.002 0.000 0.800 492 E CB -0.171 29.588 29.700 0.098 0.000 0.746 492 E HN 0.407 nan 8.360 nan 0.000 0.452 493 G N 0.454 109.141 108.800 -0.188 0.000 2.422 493 G HA2 -0.270 -3.506 3.960 -11.994 0.000 0.218 493 G HA3 -0.270 -3.506 3.960 -11.994 0.000 0.218 493 G C 1.711 176.457 174.900 -0.256 0.000 1.146 493 G CA 0.867 45.676 45.100 -0.485 0.000 0.769 493 G HN 0.365 nan 8.290 nan 0.000 0.547 494 C N 1.334 120.506 119.300 -0.213 0.000 2.442 494 C HA -0.050 -2.786 4.460 -11.994 0.000 0.279 494 C C 2.886 177.812 174.990 -0.108 0.000 1.237 494 C CA 1.305 60.153 59.018 -0.283 0.000 1.722 494 C CB -0.821 26.530 27.740 -0.648 0.000 2.056 494 C HN 0.794 nan 8.230 nan 0.000 0.469 495 E N 1.002 121.145 120.200 -0.095 0.000 2.418 495 E HA -0.199 -3.045 4.350 -11.994 0.000 0.197 495 E C 1.890 178.482 176.600 -0.012 0.000 1.026 495 E CA 0.842 57.237 56.400 -0.009 0.000 0.862 495 E CB -0.290 29.404 29.700 -0.009 0.000 0.799 495 E HN 0.617 nan 8.360 nan 0.000 0.518 496 K N 0.584 120.943 120.400 -0.070 0.000 2.076 496 K HA -0.041 -2.917 4.320 -11.994 0.000 0.204 496 K C 1.998 178.578 176.600 -0.034 0.000 1.051 496 K CA 0.770 57.009 56.287 -0.079 0.000 0.949 496 K CB 0.161 32.542 32.500 -0.199 0.000 0.726 496 K HN 0.099 nan 8.250 nan 0.000 0.443 497 I N 1.371 121.927 120.570 -0.024 0.000 2.353 497 I HA -0.191 -3.218 4.170 -11.994 0.000 0.248 497 I C 2.305 178.482 176.117 0.101 0.000 1.119 497 I CA 0.722 62.044 61.300 0.036 0.000 1.417 497 I CB -0.848 37.176 38.000 0.039 0.000 1.078 497 I HN 0.218 nan 8.210 nan 0.000 0.421 498 L N 1.036 122.336 121.223 0.128 0.000 2.046 498 L HA -0.143 -3.000 4.340 -11.994 0.000 0.208 498 L C 2.699 179.648 176.870 0.131 0.000 1.077 498 L CA 1.762 56.686 54.840 0.140 0.000 0.747 498 L CB -0.601 41.567 42.059 0.182 0.000 0.896 498 L HN 0.069 nan 8.230 nan 0.000 0.432 499 R N -0.413 120.142 120.500 0.091 0.000 2.148 499 R HA -0.073 -2.930 4.340 -11.994 0.000 0.227 499 R C 2.166 178.509 176.300 0.072 0.000 1.103 499 R CA 1.228 57.371 56.100 0.072 0.000 0.983 499 R CB -0.403 29.919 30.300 0.038 0.000 0.874 499 R HN 0.455 nan 8.270 nan 0.000 0.451 500 L N -0.527 120.742 121.223 0.078 0.000 2.217 500 L HA -0.157 -3.013 4.340 -11.994 0.000 0.211 500 L C 2.088 179.020 176.870 0.104 0.000 1.107 500 L CA 0.861 55.743 54.840 0.070 0.000 0.783 500 L CB -0.400 41.693 42.059 0.057 0.000 0.919 500 L HN 0.155 nan 8.230 nan 0.000 0.442 501 Y N 0.329 120.642 120.300 0.021 0.000 2.352 501 Y HA -0.132 -2.777 4.550 -11.990 0.000 0.292 501 Y C 2.226 178.148 175.900 0.037 0.000 1.136 501 Y CA 1.360 59.472 58.100 0.020 0.000 1.227 501 Y CB -0.244 38.219 38.460 0.004 0.000 0.991 501 Y HN 0.085 nan 8.280 nan 0.000 0.545 502 G N -0.855 108.025 108.800 0.134 0.000 2.484 502 G HA2 -0.179 -3.416 3.960 -11.994 0.000 0.218 502 G HA3 -0.179 -3.416 3.960 -11.994 0.000 0.218 502 G C 1.256 176.240 174.900 0.139 0.000 1.130 502 G CA 0.838 46.000 45.100 0.103 0.000 0.784 502 G HN 0.345 nan 8.290 nan 0.000 0.543 503 D N 0.068 120.525 120.400 0.094 0.000 2.363 503 D HA 0.015 -2.541 4.640 -11.994 0.000 0.220 503 D C 2.094 178.467 176.300 0.122 0.000 0.994 503 D CA 0.107 54.181 54.000 0.123 0.000 0.890 503 D CB 0.388 41.188 40.800 -0.000 0.000 0.906 503 D HN 0.191 nan 8.370 nan 0.000 0.530 504 L N 0.773 121.988 121.223 -0.014 0.000 2.291 504 L HA -0.135 -2.991 4.340 -11.994 0.000 0.214 504 L C 2.318 179.140 176.870 -0.081 0.000 1.120 504 L CA 1.086 55.869 54.840 -0.095 0.000 0.799 504 L CB -0.260 41.632 42.059 -0.279 0.000 0.925 504 L HN 0.072 nan 8.230 nan 0.000 0.446 505 Q N -2.182 117.571 119.800 -0.078 0.000 2.403 505 Q HA -0.038 -2.894 4.340 -11.994 0.000 0.203 505 Q C 0.932 176.764 176.000 -0.280 0.000 0.932 505 Q CA 0.812 56.504 55.803 -0.184 0.000 0.945 505 Q CB -0.100 28.496 28.738 -0.237 0.000 1.045 505 Q HN 0.531 nan 8.270 nan 0.000 0.511 506 H N 0.486 119.530 119.070 -0.044 0.000 2.755 506 H HA 0.187 -2.454 4.556 -11.994 0.000 0.273 506 H C 0.130 175.444 175.328 -0.024 0.000 1.055 506 H CA -0.404 55.627 56.048 -0.029 0.000 1.191 506 H CB 0.585 30.335 29.762 -0.019 0.000 1.536 506 H HN 0.270 nan 8.280 nan 0.000 0.529 507 L N 0.178 121.435 121.223 0.057 0.000 2.436 507 L HA 0.399 -2.457 4.340 -11.994 0.000 0.265 507 L C 0.117 176.992 176.870 0.007 0.000 1.168 507 L CA -0.527 54.336 54.840 0.038 0.000 0.815 507 L CB 0.548 42.621 42.059 0.023 0.000 1.109 507 L HN -0.225 nan 8.230 nan 0.000 0.462 508 K N 0.963 121.370 120.400 0.013 0.000 2.358 508 K HA 0.537 -2.339 4.320 -11.994 0.000 0.260 508 K C -0.548 176.028 176.600 -0.040 0.000 0.956 508 K CA -0.268 55.978 56.287 -0.068 0.000 0.834 508 K CB 1.530 33.965 32.500 -0.108 0.000 1.102 508 K HN 0.886 nan 8.250 nan 0.000 0.431 509 T N 3.110 117.599 114.554 -0.109 0.000 2.945 509 T HA 0.499 -2.347 4.350 -11.994 0.000 0.286 509 T C -0.023 174.568 174.700 -0.180 0.000 1.025 509 T CA -0.450 61.644 62.100 -0.012 0.000 1.039 509 T CB 0.383 69.252 68.868 0.002 0.000 1.068 509 T HN 0.529 nan 8.240 nan 0.000 0.497 510 F N -0.156 119.781 119.950 -0.022 0.000 2.740 510 F HA 0.341 -2.328 4.527 -11.994 0.000 0.304 510 F C 1.169 176.945 175.800 -0.041 0.000 1.098 510 F CA -0.524 57.461 58.000 -0.025 0.000 1.258 510 F CB 0.679 39.672 39.000 -0.013 0.000 1.061 510 F HN 0.408 nan 8.300 nan 0.000 0.598 511 D N 1.130 121.601 120.400 0.119 0.000 2.277 511 D HA 0.187 -2.369 4.640 -11.994 0.000 0.249 511 D C -0.008 176.259 176.300 -0.055 0.000 1.134 511 D CA -0.048 53.974 54.000 0.037 0.000 0.863 511 D CB 0.986 41.812 40.800 0.043 0.000 1.143 511 D HN 0.024 nan 8.370 nan 0.000 0.458 512 R N 1.994 122.437 120.500 -0.094 0.000 2.935 512 R HA 0.367 -2.490 4.340 -11.994 0.000 0.354 512 R C 0.489 176.694 176.300 -0.158 0.000 1.206 512 R CA -0.480 55.495 56.100 -0.208 0.000 1.082 512 R CB 1.365 31.514 30.300 -0.252 0.000 1.431 512 R HN 0.313 nan 8.270 nan 0.000 0.582 513 G N -1.049 107.701 108.800 -0.083 0.000 2.644 513 G HA2 0.337 -2.900 3.960 -11.994 0.000 0.307 513 G HA3 0.337 -2.900 3.960 -11.994 0.000 0.307 513 G C 0.282 175.176 174.900 -0.011 0.000 1.250 513 G CA -0.434 44.643 45.100 -0.039 0.000 0.996 513 G HN 0.007 nan 8.290 nan 0.000 0.489 514 M N -0.545 119.064 119.600 0.015 0.000 2.738 514 M HA 0.161 -2.555 4.480 -11.994 0.000 0.256 514 M C 0.927 177.263 176.300 0.061 0.000 1.253 514 M CA 0.618 55.943 55.300 0.042 0.000 1.223 514 M CB 0.124 32.746 32.600 0.035 0.000 1.263 514 M HN 0.160 nan 8.290 nan 0.000 0.521 515 V N 1.254 121.218 119.914 0.084 0.000 2.479 515 V HA -0.097 -3.173 4.120 -11.994 0.000 0.281 515 V C -0.506 175.724 176.094 0.227 0.000 1.031 515 V CA -0.118 62.270 62.300 0.147 0.000 1.038 515 V CB -0.804 31.107 31.823 0.146 0.000 0.981 515 V HN 0.722 nan 8.190 nan 0.000 0.478 516 W N 4.030 125.330 121.300 0.000 0.000 6.880 516 W HA -0.222 -2.758 4.660 -11.994 0.000 0.423 516 W C 0.906 177.420 176.519 -0.009 0.000 1.695 516 W CA 0.398 57.741 57.345 -0.004 0.000 1.126 516 W CB -0.804 28.656 29.460 -0.001 0.000 2.925 516 W HN 0.722 nan 8.180 nan 0.000 1.530 517 N N 0.945 119.683 118.700 0.063 0.000 2.807 517 N HA 0.046 -2.410 4.740 -11.994 0.000 0.259 517 N C 1.419 176.927 175.510 -0.003 0.000 1.149 517 N CA 0.997 54.069 53.050 0.037 0.000 1.042 517 N CB 0.457 38.941 38.487 -0.004 0.000 1.367 517 N HN 0.323 nan 8.380 nan 0.000 0.516 518 T N -1.087 113.513 114.554 0.077 0.000 2.833 518 T HA -0.165 -3.012 4.350 -11.994 0.000 0.269 518 T C 1.401 176.111 174.700 0.017 0.000 1.054 518 T CA 0.891 63.024 62.100 0.055 0.000 1.135 518 T CB -0.035 68.927 68.868 0.158 0.000 0.869 518 T HN 0.242 nan 8.240 nan 0.000 0.466 519 D N 1.050 121.469 120.400 0.032 0.000 2.182 519 D HA -0.091 -2.648 4.640 -11.994 0.000 0.201 519 D C 1.808 178.106 176.300 -0.003 0.000 0.986 519 D CA 0.730 54.749 54.000 0.032 0.000 0.847 519 D CB -0.381 40.455 40.800 0.060 0.000 0.942 519 D HN 0.407 nan 8.370 nan 0.000 0.467 520 L N -0.068 121.131 121.223 -0.041 0.000 2.202 520 L HA 0.047 -2.810 4.340 -11.994 0.000 0.205 520 L C 2.317 179.080 176.870 -0.179 0.000 1.083 520 L CA 1.273 56.061 54.840 -0.087 0.000 0.790 520 L CB -0.521 41.488 42.059 -0.082 0.000 0.942 520 L HN 0.093 nan 8.230 nan 0.000 0.452 521 V N -3.189 116.585 119.914 -0.234 0.000 2.667 521 V HA -0.089 -3.165 4.120 -11.994 0.000 0.252 521 V C 2.055 177.974 176.094 -0.292 0.000 1.065 521 V CA 1.601 63.644 62.300 -0.428 0.000 1.083 521 V CB -0.903 30.662 31.823 -0.431 0.000 0.692 521 V HN 0.530 nan 8.190 nan 0.000 0.468 522 E N 0.851 120.981 120.200 -0.117 0.000 2.208 522 E HA -0.080 -2.926 4.350 -11.994 0.000 0.193 522 E C 2.228 178.812 176.600 -0.026 0.000 0.988 522 E CA 1.523 57.906 56.400 -0.028 0.000 0.828 522 E CB -0.172 29.541 29.700 0.021 0.000 0.763 522 E HN 0.741 nan 8.360 nan 0.000 0.478 523 T N 1.067 115.588 114.554 -0.056 0.000 2.904 523 T HA -0.030 -2.877 4.350 -11.994 0.000 0.267 523 T C 1.916 176.580 174.700 -0.060 0.000 1.059 523 T CA 0.540 62.615 62.100 -0.041 0.000 1.137 523 T CB -0.020 68.825 68.868 -0.037 0.000 0.879 523 T HN 0.077 nan 8.240 nan 0.000 0.467 524 L N 0.624 121.761 121.223 -0.144 0.000 2.156 524 L HA -0.001 -2.857 4.340 -11.994 0.000 0.208 524 L C 2.724 179.611 176.870 0.028 0.000 1.095 524 L CA 1.171 55.927 54.840 -0.141 0.000 0.770 524 L CB -0.455 41.329 42.059 -0.458 0.000 0.914 524 L HN 0.276 nan 8.230 nan 0.000 0.439 525 E N -0.005 120.210 120.200 0.025 0.000 2.110 525 E HA -0.254 -3.100 4.350 -11.994 0.000 0.193 525 E C 2.105 178.764 176.600 0.098 0.000 0.988 525 E CA 1.041 57.530 56.400 0.149 0.000 0.804 525 E CB -0.079 29.704 29.700 0.138 0.000 0.745 525 E HN 0.279 nan 8.360 nan 0.000 0.458 526 L N 1.305 122.560 121.223 0.054 0.000 2.017 526 L HA -0.238 -3.094 4.340 -11.994 0.000 0.208 526 L C 2.162 179.060 176.870 0.046 0.000 1.073 526 L CA 1.793 56.661 54.840 0.046 0.000 0.745 526 L CB -0.238 41.837 42.059 0.027 0.000 0.894 526 L HN 0.053 nan 8.230 nan 0.000 0.432 527 Q N -0.604 119.217 119.800 0.036 0.000 2.124 527 Q HA -0.203 -3.059 4.340 -11.994 0.000 0.202 527 Q C 1.780 177.824 176.000 0.073 0.000 0.977 527 Q CA 1.767 57.596 55.803 0.042 0.000 0.850 527 Q CB -0.261 28.491 28.738 0.023 0.000 0.901 527 Q HN 0.571 nan 8.270 nan 0.000 0.429 528 N N 0.047 118.796 118.700 0.082 0.000 2.457 528 N HA -0.014 -2.470 4.740 -11.994 0.000 0.180 528 N C 1.400 176.929 175.510 0.032 0.000 1.050 528 N CA 0.603 53.693 53.050 0.067 0.000 0.906 528 N CB 0.118 38.671 38.487 0.111 0.000 0.968 528 N HN 0.170 nan 8.380 nan 0.000 0.445 529 L N -0.484 120.769 121.223 0.049 0.000 2.102 529 L HA 0.080 -2.777 4.340 -11.994 0.000 0.202 529 L C 2.006 178.883 176.870 0.011 0.000 1.076 529 L CA 0.548 55.410 54.840 0.036 0.000 0.761 529 L CB -0.178 41.919 42.059 0.063 0.000 0.921 529 L HN 0.145 nan 8.230 nan 0.000 0.444 530 M N -0.130 119.501 119.600 0.051 0.000 2.108 530 M HA -0.223 -2.939 4.480 -11.994 0.000 0.261 530 M C 2.373 178.702 176.300 0.048 0.000 1.066 530 M CA 1.905 57.259 55.300 0.089 0.000 1.107 530 M CB -0.948 31.767 32.600 0.191 0.000 1.356 530 M HN 0.235 nan 8.290 nan 0.000 0.406 531 L N -1.080 120.164 121.223 0.035 0.000 2.083 531 L HA -0.259 -3.115 4.340 -11.994 0.000 0.209 531 L C 2.595 179.367 176.870 -0.163 0.000 1.083 531 L CA 0.978 55.780 54.840 -0.064 0.000 0.752 531 L CB -0.767 41.269 42.059 -0.037 0.000 0.899 531 L HN 0.329 nan 8.230 nan 0.000 0.433 532 C N -0.512 118.655 119.300 -0.221 0.000 2.446 532 C HA -0.014 -2.750 4.460 -11.994 0.000 0.279 532 C C 3.062 177.847 174.990 -0.342 0.000 1.366 532 C CA 0.550 59.285 59.018 -0.471 0.000 1.763 532 C CB -0.975 26.315 27.740 -0.749 0.000 1.929 532 C HN 0.596 nan 8.230 nan 0.000 0.509 533 A N 0.162 122.894 122.820 -0.146 0.000 1.874 533 A HA -0.002 -2.878 4.320 -11.994 0.000 0.214 533 A C 1.980 179.548 177.584 -0.026 0.000 1.189 533 A CA 1.117 53.120 52.037 -0.058 0.000 0.615 533 A CB -0.536 18.439 19.000 -0.041 0.000 0.830 533 A HN 0.456 nan 8.150 nan 0.000 0.443 534 L N -0.299 120.897 121.223 -0.046 0.000 2.042 534 L HA -0.251 -3.107 4.340 -11.994 0.000 0.210 534 L C 2.786 179.657 176.870 0.002 0.000 1.076 534 L CA 1.909 56.733 54.840 -0.027 0.000 0.749 534 L CB -0.364 41.586 42.059 -0.181 0.000 0.893 534 L HN 0.457 nan 8.230 nan 0.000 0.432 535 Q N -1.676 118.079 119.800 -0.076 0.000 2.172 535 Q HA -0.133 -2.989 4.340 -11.994 0.000 0.200 535 Q C 2.082 178.094 176.000 0.021 0.000 0.964 535 Q CA 1.700 57.469 55.803 -0.057 0.000 0.855 535 Q CB -0.067 28.596 28.738 -0.126 0.000 0.918 535 Q HN 0.495 nan 8.270 nan 0.000 0.444 536 T N 1.105 115.679 114.554 0.034 0.000 2.737 536 T HA -0.134 -2.980 4.350 -11.994 0.000 0.265 536 T C 1.787 176.556 174.700 0.115 0.000 1.038 536 T CA 0.992 63.158 62.100 0.109 0.000 1.144 536 T CB -0.146 68.845 68.868 0.205 0.000 0.866 536 T HN 0.169 nan 8.240 nan 0.000 0.434 537 I N -0.099 120.543 120.570 0.120 0.000 2.286 537 I HA -0.081 -3.107 4.170 -11.994 0.000 0.245 537 I C 1.913 178.068 176.117 0.063 0.000 1.104 537 I CA 1.328 62.686 61.300 0.097 0.000 1.397 537 I CB -0.222 37.819 38.000 0.067 0.000 1.072 537 I HN 0.175 nan 8.210 nan 0.000 0.417 538 Y N 0.652 120.942 120.300 -0.017 0.000 2.242 538 Y HA -0.044 -2.693 4.550 -11.999 0.000 0.291 538 Y C 2.539 178.425 175.900 -0.022 0.000 1.137 538 Y CA 1.530 59.619 58.100 -0.019 0.000 1.181 538 Y CB -1.074 37.367 38.460 -0.033 0.000 0.989 538 Y HN 0.218 nan 8.280 nan 0.000 0.527 539 G N -0.742 108.124 108.800 0.111 0.000 2.408 539 G HA2 -0.213 -3.449 3.960 -11.994 0.000 0.217 539 G HA3 -0.213 -3.449 3.960 -11.994 0.000 0.217 539 G C 1.890 176.720 174.900 -0.116 0.000 1.150 539 G CA 0.875 45.983 45.100 0.014 0.000 0.776 539 G HN 0.457 nan 8.290 nan 0.000 0.542 540 A N 1.102 123.872 122.820 -0.084 0.000 1.898 540 A HA 0.014 -2.863 4.320 -11.994 0.000 0.216 540 A C 2.168 179.751 177.584 -0.003 0.000 1.181 540 A CA 2.164 54.167 52.037 -0.057 0.000 0.620 540 A CB -0.398 18.681 19.000 0.131 0.000 0.819 540 A HN 0.439 nan 8.150 nan 0.000 0.442 541 E N 0.733 120.916 120.200 -0.028 0.000 2.077 541 E HA -0.064 -2.911 4.350 -11.994 0.000 0.193 541 E C 1.868 178.428 176.600 -0.067 0.000 0.989 541 E CA 1.897 58.269 56.400 -0.048 0.000 0.800 541 E CB -0.559 29.074 29.700 -0.112 0.000 0.746 541 E HN 0.419 nan 8.360 nan 0.000 0.452 542 A N 0.744 123.533 122.820 -0.051 0.000 1.898 542 A HA -0.076 -2.953 4.320 -11.994 0.000 0.216 542 A C 1.687 179.109 177.584 -0.270 0.000 1.181 542 A CA 0.999 53.035 52.037 -0.001 0.000 0.620 542 A CB -0.508 18.594 19.000 0.170 0.000 0.819 542 A HN 0.217 nan 8.150 nan 0.000 0.442 543 R N 0.682 120.871 120.500 -0.519 0.000 2.316 543 R HA 0.233 -2.624 4.340 -11.994 0.000 0.314 543 R C -0.899 174.877 176.300 -0.874 0.000 1.069 543 R CA 0.124 55.553 56.100 -1.118 0.000 0.959 543 R CB 0.133 29.876 30.300 -0.928 0.000 0.987 543 R HN 0.204 nan 8.270 nan 0.000 0.446 544 K N 4.547 124.166 120.400 -1.303 0.000 2.901 544 K HA 0.116 -2.761 4.320 -11.994 0.000 0.199 544 K C -1.050 175.071 176.600 -0.799 0.000 1.140 544 K CA -0.295 55.361 56.287 -1.051 0.000 1.030 544 K CB 0.680 32.343 32.500 -1.395 0.000 1.437 544 K HN 0.694 nan 8.250 nan 0.000 0.552 545 E N -1.730 118.218 120.200 -0.421 0.000 2.454 545 E HA 0.389 -2.457 4.350 -11.994 0.000 0.279 545 E C -1.160 175.462 176.600 0.037 0.000 1.029 545 E CA -1.074 55.273 56.400 -0.089 0.000 0.831 545 E CB 1.359 31.006 29.700 -0.088 0.000 1.405 545 E HN -0.141 nan 8.360 nan 0.000 0.463 546 S N 0.195 115.952 115.700 0.096 0.000 2.601 546 S HA 0.421 -2.306 4.470 -11.994 0.000 0.312 546 S C -0.920 173.763 174.600 0.139 0.000 1.107 546 S CA -0.629 57.627 58.200 0.093 0.000 1.129 546 S CB 0.324 63.573 63.200 0.082 0.000 0.982 546 S HN 0.402 nan 8.310 nan 0.000 0.469 547 R N 2.604 123.217 120.500 0.189 0.000 2.468 547 R HA 0.528 -2.329 4.340 -11.994 0.000 0.302 547 R C 0.826 177.313 176.300 0.311 0.000 1.041 547 R CA 0.357 56.609 56.100 0.254 0.000 0.899 547 R CB 0.421 30.902 30.300 0.303 0.000 1.167 547 R HN 0.843 nan 8.270 nan 0.000 0.483 548 G N 2.552 111.488 108.800 0.226 0.000 2.565 548 G HA2 -0.472 -3.709 3.960 -11.994 0.000 0.295 548 G HA3 -0.472 -3.709 3.960 -11.994 0.000 0.295 548 G C 0.799 175.808 174.900 0.182 0.000 1.165 548 G CA 0.448 45.674 45.100 0.209 0.000 0.977 548 G HN 0.736 nan 8.290 nan 0.000 0.546 549 A N -0.735 122.236 122.820 0.252 0.000 1.930 549 A HA 0.067 -2.809 4.320 -11.994 0.000 0.217 549 A C 1.424 179.077 177.584 0.116 0.000 1.175 549 A CA 1.927 54.081 52.037 0.194 0.000 0.627 549 A CB -0.504 18.662 19.000 0.278 0.000 0.815 549 A HN 1.117 nan 8.150 nan 0.000 0.443 550 H N 0.585 119.661 119.070 0.011 0.000 3.157 550 H HA 0.480 -2.167 4.556 -12.005 0.000 0.260 550 H C -0.523 174.738 175.328 -0.112 0.000 1.232 550 H CA 0.225 56.176 56.048 -0.161 0.000 1.488 550 H CB -0.091 29.383 29.762 -0.481 0.000 1.548 550 H HN 0.288 nan 8.280 nan 0.000 0.487 551 A N 7.077 129.652 122.820 -0.409 0.000 2.288 551 A HA 0.474 -2.402 4.320 -11.994 0.000 0.320 551 A C -0.105 177.279 177.584 -0.334 0.000 1.217 551 A CA -0.865 50.978 52.037 -0.323 0.000 0.840 551 A CB 0.672 19.445 19.000 -0.377 0.000 1.179 551 A HN 0.674 nan 8.150 nan 0.000 0.504 552 R N 2.172 122.567 120.500 -0.175 0.000 2.338 552 R HA 0.269 -2.587 4.340 -11.994 0.000 0.317 552 R C 0.009 176.347 176.300 0.063 0.000 0.968 552 R CA -0.519 55.550 56.100 -0.052 0.000 0.849 552 R CB 1.556 31.881 30.300 0.042 0.000 1.128 552 R HN 0.833 nan 8.270 nan 0.000 0.448 553 E N 1.297 121.549 120.200 0.087 0.000 2.285 553 E HA -0.129 -2.976 4.350 -11.994 0.000 0.194 553 E C 0.622 177.227 176.600 0.008 0.000 0.997 553 E CA 1.078 57.525 56.400 0.078 0.000 0.845 553 E CB 0.453 30.189 29.700 0.060 0.000 0.782 553 E HN 0.557 nan 8.360 nan 0.000 0.491 554 D N -0.979 119.420 120.400 -0.003 0.000 2.327 554 D HA -0.089 -2.645 4.640 -11.994 0.000 0.205 554 D C 0.369 176.438 176.300 -0.385 0.000 0.989 554 D CA 0.168 54.071 54.000 -0.162 0.000 0.873 554 D CB -0.272 40.448 40.800 -0.134 0.000 0.955 554 D HN 0.035 nan 8.370 nan 0.000 0.515 555 F N 1.626 121.577 119.950 0.002 0.000 2.523 555 F HA 0.238 -2.335 4.527 -11.834 0.000 0.322 555 F C 0.675 176.482 175.800 0.011 0.000 1.361 555 F CA -0.976 57.029 58.000 0.008 0.000 1.151 555 F CB 1.004 39.999 39.000 -0.008 0.000 1.391 555 F HN -0.231 nan 8.300 nan 0.000 0.566 556 K N 0.435 120.906 120.400 0.118 0.000 3.225 556 K HA 0.129 -2.748 4.320 -11.994 0.000 0.282 556 K C -0.666 176.002 176.600 0.114 0.000 1.060 556 K CA 0.291 56.641 56.287 0.104 0.000 1.186 556 K CB -0.244 32.304 32.500 0.080 0.000 1.214 556 K HN 0.298 nan 8.250 nan 0.000 0.428 557 E N 1.520 121.812 120.200 0.153 0.000 2.187 557 E HA 0.251 -2.596 4.350 -11.994 0.000 0.268 557 E C -0.493 176.198 176.600 0.152 0.000 0.896 557 E CA -0.858 55.633 56.400 0.151 0.000 0.766 557 E CB 1.751 31.562 29.700 0.184 0.000 1.142 557 E HN 0.062 nan 8.360 nan 0.000 0.408 558 R N 2.036 122.618 120.500 0.136 0.000 2.429 558 R HA 0.188 -2.668 4.340 -11.994 0.000 0.302 558 R C -0.613 175.782 176.300 0.159 0.000 1.268 558 R CA -0.250 55.936 56.100 0.143 0.000 1.090 558 R CB -0.160 30.212 30.300 0.121 0.000 1.102 558 R HN 0.230 nan 8.270 nan 0.000 0.522 559 V N 5.039 125.069 119.914 0.193 0.000 2.299 559 V HA 0.069 -3.007 4.120 -11.994 0.000 0.255 559 V C 0.339 176.564 176.094 0.218 0.000 1.100 559 V CA -0.363 62.066 62.300 0.216 0.000 0.938 559 V CB 0.607 32.611 31.823 0.301 0.000 1.139 559 V HN 0.482 nan 8.190 nan 0.000 0.490 560 D N 2.513 123.019 120.400 0.176 0.000 2.539 560 D HA 0.301 -2.255 4.640 -11.994 0.000 0.280 560 D C 1.243 177.533 176.300 -0.016 0.000 1.208 560 D CA -0.656 53.438 54.000 0.156 0.000 1.088 560 D CB 0.780 41.723 40.800 0.239 0.000 1.149 560 D HN 0.432 nan 8.370 nan 0.000 0.596 561 E N -0.921 119.126 120.200 -0.255 0.000 2.106 561 E HA -0.053 -2.899 4.350 -11.994 0.000 0.192 561 E C -0.075 176.107 176.600 -0.695 0.000 0.984 561 E CA 1.288 57.252 56.400 -0.726 0.000 0.806 561 E CB -0.092 29.018 29.700 -0.983 0.000 0.750 561 E HN 0.403 nan 8.360 nan 0.000 0.458 562 Y N -0.833 119.379 120.300 -0.147 0.000 2.693 562 Y HA 0.340 -2.300 4.550 -11.983 0.000 0.331 562 Y C -0.460 175.310 175.900 -0.217 0.000 1.092 562 Y CA -1.725 56.188 58.100 -0.311 0.000 1.131 562 Y CB 0.862 38.947 38.460 -0.624 0.000 1.318 562 Y HN -0.302 nan 8.280 nan 0.000 0.510 563 D N 0.070 120.459 120.400 -0.018 0.000 2.422 563 D HA 0.104 -2.453 4.640 -11.994 0.000 0.227 563 D C -0.581 175.675 176.300 -0.073 0.000 1.190 563 D CA 0.095 54.095 54.000 -0.001 0.000 0.905 563 D CB -0.104 40.697 40.800 0.003 0.000 1.034 563 D HN 0.424 nan 8.370 nan 0.000 0.507 564 Y N 1.647 121.940 120.300 -0.012 0.000 2.519 564 Y HA -0.013 -2.664 4.550 -12.002 0.000 0.311 564 Y C 2.304 178.156 175.900 -0.079 0.000 1.207 564 Y CA 0.245 58.306 58.100 -0.064 0.000 1.289 564 Y CB -0.038 38.332 38.460 -0.150 0.000 1.059 564 Y HN 0.419 nan 8.280 nan 0.000 0.507 565 S N -0.270 115.457 115.700 0.044 0.000 2.371 565 S HA -0.053 -2.779 4.470 -11.994 0.000 0.221 565 S C 0.851 175.444 174.600 -0.010 0.000 1.036 565 S CA -0.118 58.091 58.200 0.015 0.000 0.965 565 S CB -0.316 62.892 63.200 0.013 0.000 0.845 565 S HN 0.386 nan 8.310 nan 0.000 0.475 566 K N 2.756 123.136 120.400 -0.034 0.000 2.118 566 K HA 0.490 -2.386 4.320 -11.994 0.000 0.264 566 K C -2.913 173.633 176.600 -0.090 0.000 1.000 566 K CA -2.088 54.166 56.287 -0.055 0.000 0.929 566 K CB -0.219 32.246 32.500 -0.059 0.000 1.021 566 K HN 0.053 nan 8.250 nan 0.000 0.463 567 P HA -0.006 nan 4.420 nan 0.000 0.271 567 P C -0.590 176.601 177.300 -0.182 0.000 1.220 567 P CA -0.350 62.684 63.100 -0.109 0.000 0.768 567 P CB 0.401 32.054 31.700 -0.079 0.000 0.848 568 I N 2.949 123.364 120.570 -0.257 0.000 2.329 568 I HA 0.081 -2.945 4.170 -11.994 0.000 0.295 568 I C 0.624 176.550 176.117 -0.318 0.000 1.109 568 I CA 0.658 61.703 61.300 -0.425 0.000 1.297 568 I CB 0.046 37.608 38.000 -0.731 0.000 1.433 568 I HN 0.266 nan 8.210 nan 0.000 0.509 569 Q N 4.373 124.016 119.800 -0.262 0.000 2.170 569 Q HA 0.367 -2.489 4.340 -11.994 0.000 0.165 569 Q C 1.669 177.574 176.000 -0.157 0.000 0.599 569 Q CA 0.852 56.547 55.803 -0.181 0.000 0.844 569 Q CB -0.082 28.584 28.738 -0.119 0.000 1.139 569 Q HN 0.624 nan 8.270 nan 0.000 0.388 570 G N 0.430 109.152 108.800 -0.129 0.000 2.572 570 G HA2 -0.068 -3.305 3.960 -11.994 0.000 0.216 570 G HA3 -0.068 -3.305 3.960 -11.994 0.000 0.216 570 G C 0.184 175.027 174.900 -0.094 0.000 1.133 570 G CA 0.016 45.060 45.100 -0.093 0.000 0.791 570 G HN 0.168 nan 8.290 nan 0.000 0.538 571 Q N 0.183 119.896 119.800 -0.144 0.000 2.361 571 Q HA 0.194 -2.662 4.340 -11.994 0.000 0.276 571 Q C -0.044 175.924 176.000 -0.053 0.000 1.022 571 Q CA 0.175 55.911 55.803 -0.111 0.000 0.898 571 Q CB 0.746 29.370 28.738 -0.190 0.000 1.246 571 Q HN 0.316 nan 8.270 nan 0.000 0.410 572 Q N 1.996 121.818 119.800 0.036 0.000 2.241 572 Q HA 0.193 -2.663 4.340 -11.994 0.000 0.254 572 Q C -0.924 175.185 176.000 0.181 0.000 0.917 572 Q CA -0.490 55.364 55.803 0.084 0.000 0.919 572 Q CB 1.216 29.980 28.738 0.043 0.000 1.237 572 Q HN 0.367 nan 8.270 nan 0.000 0.434 573 K N 2.704 123.236 120.400 0.219 0.000 2.382 573 K HA 0.086 -2.790 4.320 -11.994 0.000 0.275 573 K C -0.605 175.975 176.600 -0.033 0.000 1.009 573 K CA 0.100 56.451 56.287 0.106 0.000 0.970 573 K CB 0.630 33.180 32.500 0.084 0.000 0.934 573 K HN 0.407 nan 8.250 nan 0.000 0.479 574 K N 4.212 124.516 120.400 -0.159 0.000 2.154 574 K HA 0.231 -2.645 4.320 -11.994 0.000 0.264 574 K C -2.104 174.478 176.600 -0.030 0.000 1.008 574 K CA -1.651 54.583 56.287 -0.089 0.000 0.937 574 K CB 0.629 33.063 32.500 -0.109 0.000 1.002 574 K HN 0.515 nan 8.250 nan 0.000 0.469 575 P HA -0.021 nan 4.420 nan 0.000 0.274 575 P C 0.203 177.615 177.300 0.187 0.000 1.256 575 P CA -0.274 62.883 63.100 0.095 0.000 0.795 575 P CB 0.463 32.197 31.700 0.057 0.000 1.038 576 F N 0.965 120.952 119.950 0.061 0.000 2.126 576 F HA -0.194 -2.831 4.527 -11.939 0.000 0.299 576 F C 1.943 177.600 175.800 -0.238 0.000 1.096 576 F CA 1.486 59.491 58.000 0.009 0.000 1.255 576 F CB -0.099 38.909 39.000 0.013 0.000 0.997 576 F HN 0.250 nan 8.300 nan 0.000 0.479 577 Q N 0.395 120.098 119.800 -0.163 0.000 2.239 577 Q HA -0.024 -2.880 4.340 -11.994 0.000 0.219 577 Q C 0.697 176.448 176.000 -0.414 0.000 0.901 577 Q CA 0.559 56.157 55.803 -0.342 0.000 0.949 577 Q CB 0.238 28.918 28.738 -0.097 0.000 1.038 577 Q HN 0.668 nan 8.270 nan 0.000 0.458 578 E N 0.516 120.463 120.200 -0.422 0.000 2.406 578 E HA -0.005 -2.851 4.350 -11.994 0.000 0.204 578 E C 0.379 176.717 176.600 -0.436 0.000 0.820 578 E CA -0.088 56.111 56.400 -0.335 0.000 1.136 578 E CB 0.320 29.944 29.700 -0.126 0.000 1.129 578 E HN 0.570 nan 8.360 nan 0.000 0.530 579 H N -2.253 116.534 119.070 -0.473 0.000 2.505 579 H HA 0.094 -2.535 4.556 -11.975 0.000 0.358 579 H C -0.338 174.618 175.328 -0.620 0.000 1.304 579 H CA -0.439 55.366 56.048 -0.406 0.000 1.393 579 H CB 0.307 29.934 29.762 -0.226 0.000 1.591 579 H HN 0.181 nan 8.280 nan 0.000 0.595 580 W N -0.422 120.730 121.300 -0.245 0.000 2.870 580 W HA 0.303 4.791 4.660 -0.286 0.000 0.358 580 W C 1.128 177.521 176.519 -0.210 0.000 1.043 580 W CA -0.558 56.592 57.345 -0.326 0.000 1.692 580 W CB 0.751 30.097 29.460 -0.191 0.000 1.100 580 W HN 0.389 nan 8.180 nan 0.000 0.557 581 R N 3.370 123.956 120.500 0.143 0.000 3.688 581 R HA 0.058 -2.799 4.340 -11.994 0.000 0.194 581 R C -0.179 176.141 176.300 0.034 0.000 1.677 581 R CA 0.545 56.742 56.100 0.161 0.000 1.351 581 R CB -0.914 29.539 30.300 0.254 0.000 1.338 581 R HN 0.031 nan 8.270 nan 0.000 0.731 582 K N 0.178 120.543 120.400 -0.059 0.000 2.575 582 K HA 0.244 -2.633 4.320 -11.994 0.000 0.279 582 K C -1.294 175.305 176.600 -0.001 0.000 0.969 582 K CA -1.052 55.204 56.287 -0.052 0.000 0.868 582 K CB 1.014 33.411 32.500 -0.172 0.000 1.457 582 K HN 0.117 nan 8.250 nan 0.000 0.426 583 H N 1.029 120.233 119.070 0.224 0.000 2.610 583 H HA 0.144 -2.492 4.556 -11.986 0.000 0.336 583 H C -0.340 175.182 175.328 0.323 0.000 1.087 583 H CA -0.014 56.160 56.048 0.209 0.000 1.405 583 H CB 1.344 31.178 29.762 0.120 0.000 1.460 583 H HN 0.488 nan 8.280 nan 0.000 0.538 584 T N 5.535 120.358 114.554 0.448 0.000 2.737 584 T HA 0.242 -2.605 4.350 -11.994 0.000 0.296 584 T C 0.824 175.550 174.700 0.043 0.000 0.922 584 T CA -0.439 61.851 62.100 0.317 0.000 1.079 584 T CB -0.068 68.999 68.868 0.332 0.000 0.892 584 T HN 0.231 nan 8.240 nan 0.000 0.514 585 L N 4.129 125.256 121.223 -0.160 0.000 2.280 585 L HA 0.490 -2.366 4.340 -11.994 0.000 0.287 585 L C 0.477 177.163 176.870 -0.306 0.000 1.023 585 L CA -0.673 54.024 54.840 -0.237 0.000 0.819 585 L CB 1.245 43.155 42.059 -0.249 0.000 1.212 585 L HN 0.663 nan 8.230 nan 0.000 0.420 586 S N 1.837 117.333 115.700 -0.341 0.000 2.503 586 S HA 0.776 -1.951 4.470 -11.994 0.000 0.301 586 S C -1.029 173.307 174.600 -0.440 0.000 1.087 586 S CA -0.735 57.303 58.200 -0.271 0.000 1.042 586 S CB 1.599 64.700 63.200 -0.165 0.000 1.043 586 S HN 0.332 nan 8.310 nan 0.000 0.489 587 Y N -0.008 120.218 120.300 -0.123 0.000 2.570 587 Y HA 0.787 -1.862 4.550 -11.998 0.000 0.345 587 Y C -0.260 175.550 175.900 -0.150 0.000 1.014 587 Y CA -1.180 56.851 58.100 -0.115 0.000 1.063 587 Y CB 1.917 40.322 38.460 -0.091 0.000 1.272 587 Y HN 0.671 nan 8.280 nan 0.000 0.477 588 V N 1.508 121.430 119.914 0.012 0.000 2.686 588 V HA 0.333 -2.743 4.120 -11.994 0.000 0.306 588 V C -1.453 174.596 176.094 -0.075 0.000 1.065 588 V CA -0.686 61.553 62.300 -0.102 0.000 0.894 588 V CB 1.858 33.558 31.823 -0.204 0.000 1.004 588 V HN 0.848 nan 8.190 nan 0.000 0.424 589 D N 3.939 124.280 120.400 -0.098 0.000 2.343 589 D HA 0.255 -2.301 4.640 -11.994 0.000 0.255 589 D C 0.980 177.242 176.300 -0.063 0.000 1.187 589 D CA 0.117 54.078 54.000 -0.065 0.000 0.875 589 D CB 1.884 42.647 40.800 -0.061 0.000 1.136 589 D HN 0.314 nan 8.370 nan 0.000 0.469 590 V N 4.496 124.407 119.914 -0.005 0.000 2.427 590 V HA -0.160 -3.236 4.120 -11.994 0.000 0.248 590 V C 2.291 178.474 176.094 0.148 0.000 1.051 590 V CA 1.336 63.676 62.300 0.068 0.000 1.048 590 V CB -0.519 31.345 31.823 0.067 0.000 0.666 590 V HN 0.604 nan 8.190 nan 0.000 0.456 591 K N 0.634 121.084 120.400 0.082 0.000 2.005 591 K HA -0.143 -3.020 4.320 -11.994 0.000 0.206 591 K C 2.447 179.115 176.600 0.113 0.000 1.044 591 K CA 1.881 58.222 56.287 0.090 0.000 0.942 591 K CB -0.327 32.197 32.500 0.040 0.000 0.727 591 K HN 0.639 nan 8.250 nan 0.000 0.439 592 T N -2.866 111.720 114.554 0.053 0.000 2.777 592 T HA 0.031 -2.816 4.350 -11.994 0.000 0.266 592 T C 1.578 176.295 174.700 0.028 0.000 1.040 592 T CA 1.398 63.520 62.100 0.038 0.000 1.141 592 T CB -0.300 68.566 68.868 -0.004 0.000 0.868 592 T HN 0.482 nan 8.240 nan 0.000 0.444 593 G N 1.008 109.756 108.800 -0.086 0.000 2.194 593 G HA2 -0.253 -3.489 3.960 -11.994 0.000 0.236 593 G HA3 -0.253 -3.489 3.960 -11.994 0.000 0.236 593 G C 0.067 174.745 174.900 -0.371 0.000 0.987 593 G CA 0.176 45.048 45.100 -0.380 0.000 0.635 593 G HN 0.825 nan 8.290 nan 0.000 0.520 594 K N 0.982 121.245 120.400 -0.229 0.000 2.368 594 K HA 0.483 -2.393 4.320 -11.994 0.000 0.282 594 K C 0.498 176.912 176.600 -0.311 0.000 1.035 594 K CA -0.208 55.928 56.287 -0.253 0.000 0.973 594 K CB 0.791 33.217 32.500 -0.123 0.000 0.957 594 K HN 0.063 nan 8.250 nan 0.000 0.474 595 V N 4.747 124.364 119.914 -0.495 0.000 2.408 595 V HA 0.115 -2.961 4.120 -11.994 0.000 0.267 595 V C -0.197 175.776 176.094 -0.203 0.000 1.047 595 V CA -0.531 61.520 62.300 -0.414 0.000 0.937 595 V CB 0.779 32.209 31.823 -0.654 0.000 0.999 595 V HN 0.891 nan 8.190 nan 0.000 0.472 596 S N 7.038 122.682 115.700 -0.093 0.000 2.442 596 S HA 0.844 -1.882 4.470 -11.994 0.000 0.297 596 S C -0.702 173.927 174.600 0.047 0.000 1.131 596 S CA -0.742 57.445 58.200 -0.022 0.000 1.092 596 S CB 1.178 64.355 63.200 -0.037 0.000 0.998 596 S HN 0.742 nan 8.310 nan 0.000 0.478 597 L N 0.762 121.994 121.223 0.015 0.000 2.408 597 L HA 0.854 -2.002 4.340 -11.994 0.000 0.268 597 L C -0.555 176.223 176.870 -0.153 0.000 0.986 597 L CA -0.931 53.880 54.840 -0.049 0.000 0.820 597 L CB 1.710 43.696 42.059 -0.121 0.000 1.303 597 L HN 0.841 nan 8.230 nan 0.000 0.411 598 E N 1.499 121.567 120.200 -0.220 0.000 2.476 598 E HA 0.636 -2.210 4.350 -11.994 0.000 0.246 598 E C -1.560 174.660 176.600 -0.632 0.000 0.872 598 E CA -1.026 55.210 56.400 -0.274 0.000 0.867 598 E CB 1.528 31.244 29.700 0.026 0.000 1.533 598 E HN 0.603 nan 8.360 nan 0.000 0.399 599 Y N -0.928 119.402 120.300 0.050 0.000 2.562 599 Y HA 0.480 -2.105 4.550 -11.891 0.000 0.345 599 Y C -0.394 175.538 175.900 0.053 0.000 1.045 599 Y CA -1.134 57.010 58.100 0.074 0.000 1.028 599 Y CB 2.391 40.907 38.460 0.093 0.000 1.297 599 Y HN 0.618 nan 8.280 nan 0.000 0.463 600 R N 1.555 122.240 120.500 0.308 0.000 2.771 600 R HA 0.688 -2.168 4.340 -11.994 0.000 0.274 600 R C -3.449 173.142 176.300 0.485 0.000 0.987 600 R CA -2.154 54.120 56.100 0.291 0.000 0.908 600 R CB 2.514 32.863 30.300 0.081 0.000 1.213 600 R HN 0.251 nan 8.270 nan 0.000 0.468 601 P HA 0.028 nan 4.420 nan 0.000 0.274 601 P C 0.020 177.528 177.300 0.347 0.000 1.231 601 P CA -0.468 62.879 63.100 0.413 0.000 0.790 601 P CB 1.026 32.860 31.700 0.223 0.000 0.951 602 V N 0.379 120.437 119.914 0.239 0.000 2.686 602 V HA 0.276 -2.800 4.120 -11.994 0.000 0.295 602 V C 0.561 176.787 176.094 0.220 0.000 1.055 602 V CA -0.592 61.826 62.300 0.196 0.000 1.050 602 V CB -0.290 31.544 31.823 0.019 0.000 0.984 602 V HN 0.267 nan 8.190 nan 0.000 0.482 603 I N 3.925 124.638 120.570 0.238 0.000 2.436 603 I HA 0.219 -2.807 4.170 -11.994 0.000 0.289 603 I C 0.536 176.756 176.117 0.171 0.000 1.083 603 I CA 0.243 61.649 61.300 0.177 0.000 1.372 603 I CB 0.488 38.579 38.000 0.152 0.000 1.408 603 I HN 0.672 nan 8.210 nan 0.000 0.516 604 D N 4.381 124.877 120.400 0.160 0.000 2.423 604 D HA 0.019 -2.537 4.640 -11.994 0.000 0.208 604 D C 0.565 176.969 176.300 0.173 0.000 1.068 604 D CA 0.304 54.410 54.000 0.176 0.000 0.860 604 D CB 0.384 41.286 40.800 0.171 0.000 0.992 604 D HN 0.511 nan 8.370 nan 0.000 0.504 605 K N 1.001 121.480 120.400 0.133 0.000 2.295 605 K HA 0.309 -2.567 4.320 -11.994 0.000 0.270 605 K C 0.523 177.187 176.600 0.107 0.000 1.011 605 K CA -0.335 56.015 56.287 0.105 0.000 0.953 605 K CB 0.645 33.181 32.500 0.061 0.000 0.956 605 K HN -0.177 nan 8.250 nan 0.000 0.477 606 T N -0.053 114.561 114.554 0.100 0.000 2.852 606 T HA 0.221 -2.625 4.350 -11.994 0.000 0.281 606 T C 1.290 175.945 174.700 -0.075 0.000 0.993 606 T CA -0.907 61.250 62.100 0.095 0.000 0.933 606 T CB 0.418 69.389 68.868 0.172 0.000 1.187 606 T HN 0.530 nan 8.240 nan 0.000 0.559 607 L N -0.106 120.931 121.223 -0.310 0.000 2.007 607 L HA 0.157 -2.699 4.340 -11.994 0.000 0.205 607 L C 1.012 177.742 176.870 -0.233 0.000 1.073 607 L CA 1.112 55.670 54.840 -0.471 0.000 0.744 607 L CB -0.389 41.142 42.059 -0.880 0.000 0.898 607 L HN 0.640 nan 8.230 nan 0.000 0.435 608 N N -0.741 117.887 118.700 -0.119 0.000 2.491 608 N HA 0.078 -2.379 4.740 -11.994 0.000 0.274 608 N C 0.314 175.892 175.510 0.115 0.000 1.023 608 N CA -0.205 52.870 53.050 0.042 0.000 0.902 608 N CB 1.535 40.069 38.487 0.078 0.000 1.267 608 N HN -0.040 nan 8.380 nan 0.000 0.503 609 E N 3.374 123.612 120.200 0.064 0.000 2.118 609 E HA -0.102 -2.948 4.350 -11.994 0.000 0.195 609 E C 1.443 178.072 176.600 0.047 0.000 0.992 609 E CA 1.884 58.318 56.400 0.057 0.000 0.804 609 E CB -0.071 29.655 29.700 0.045 0.000 0.741 609 E HN 0.687 nan 8.360 nan 0.000 0.458 610 A N 0.383 123.232 122.820 0.048 0.000 1.877 610 A HA -0.191 -3.067 4.320 -11.994 0.000 0.216 610 A C 2.149 179.758 177.584 0.041 0.000 1.186 610 A CA 1.951 54.011 52.037 0.038 0.000 0.620 610 A CB -0.824 18.199 19.000 0.038 0.000 0.822 610 A HN 0.369 nan 8.150 nan 0.000 0.443 611 D N -1.994 118.454 120.400 0.081 0.000 2.234 611 D HA -0.031 -2.588 4.640 -11.994 0.000 0.205 611 D C 0.067 176.370 176.300 0.004 0.000 0.962 611 D CA 1.009 55.068 54.000 0.099 0.000 0.855 611 D CB 0.069 40.999 40.800 0.217 0.000 0.951 611 D HN 0.297 nan 8.370 nan 0.000 0.500 612 C N 0.791 120.085 119.300 -0.009 0.000 2.727 612 C HA 0.775 -1.961 4.460 -11.994 0.000 0.369 612 C C -0.412 174.506 174.990 -0.120 0.000 1.067 612 C CA -0.716 58.175 59.018 -0.212 0.000 1.273 612 C CB -0.208 27.181 27.740 -0.585 0.000 1.778 612 C HN 0.311 nan 8.230 nan 0.000 0.467 613 A N 4.602 127.383 122.820 -0.066 0.000 2.371 613 A HA 0.597 -2.280 4.320 -11.994 0.000 0.257 613 A C 0.604 178.260 177.584 0.121 0.000 1.089 613 A CA 0.272 52.322 52.037 0.022 0.000 0.794 613 A CB 0.238 19.243 19.000 0.009 0.000 1.029 613 A HN 0.905 nan 8.150 nan 0.000 0.488 614 T N 1.667 116.319 114.554 0.162 0.000 2.888 614 T HA 0.336 -2.511 4.350 -11.994 0.000 0.301 614 T C 0.085 174.967 174.700 0.304 0.000 1.001 614 T CA 0.137 62.397 62.100 0.267 0.000 1.147 614 T CB 0.200 69.191 68.868 0.204 0.000 0.931 614 T HN 0.402 nan 8.240 nan 0.000 0.541 615 V N 8.141 128.302 119.914 0.411 0.000 2.333 615 V HA 0.295 -2.782 4.120 -11.994 0.000 0.274 615 V C -1.724 174.626 176.094 0.427 0.000 1.028 615 V CA -1.853 60.687 62.300 0.400 0.000 0.851 615 V CB 0.775 32.859 31.823 0.434 0.000 1.000 615 V HN 0.742 nan 8.190 nan 0.000 0.456 616 P HA 0.315 nan 4.420 nan 0.000 0.274 616 P C -2.782 174.368 177.300 -0.250 0.000 1.237 616 P CA -1.998 61.160 63.100 0.095 0.000 0.793 616 P CB 0.159 31.914 31.700 0.092 0.000 0.977 617 P HA 0.149 nan 4.420 nan 0.000 0.265 617 P C -0.453 176.044 177.300 -1.339 0.000 1.187 617 P CA 0.787 62.597 63.100 -2.150 0.000 0.766 617 P CB 0.178 30.613 31.700 -2.107 0.000 0.820 618 A N 2.681 124.616 122.820 -1.476 0.000 2.566 618 A HA 0.658 -2.219 4.320 -11.994 0.000 0.291 618 A C -0.882 176.484 177.584 -0.363 0.000 1.278 618 A CA -0.640 51.065 52.037 -0.554 0.000 0.711 618 A CB 0.135 19.015 19.000 -0.201 0.000 1.332 618 A HN 0.368 nan 8.150 nan 0.000 0.478 619 I N 0.559 121.058 120.570 -0.118 0.000 2.648 619 I HA 0.339 -2.688 4.170 -11.994 0.000 0.284 619 I C 0.702 176.817 176.117 -0.003 0.000 1.153 619 I CA 0.431 61.705 61.300 -0.043 0.000 1.426 619 I CB 0.247 38.238 38.000 -0.015 0.000 1.381 619 I HN 0.509 nan 8.210 nan 0.000 0.571 620 R N 5.192 125.708 120.500 0.027 0.000 2.346 620 R HA 0.599 -2.258 4.340 -11.994 0.000 0.309 620 R C -1.199 175.113 176.300 0.021 0.000 1.119 620 R CA -0.153 55.989 56.100 0.071 0.000 1.112 620 R CB 0.142 30.529 30.300 0.146 0.000 1.132 620 R HN 0.859 nan 8.270 nan 0.000 0.538 621 S N 1.325 116.956 115.700 -0.115 0.000 2.595 621 S HA 0.539 -2.187 4.470 -11.994 0.000 0.270 621 S C -1.342 173.068 174.600 -0.318 0.000 1.145 621 S CA -0.899 57.258 58.200 -0.072 0.000 0.825 621 S CB 0.836 64.037 63.200 0.000 0.000 1.107 621 S HN 0.285 nan 8.310 nan 0.000 0.461 622 Y N 0.000 120.340 120.300 0.066 0.000 2.660 622 Y HA 0.000 -2.648 4.550 -11.996 0.000 0.201 622 Y CA 0.000 58.131 58.100 0.052 0.000 1.940 622 Y CB 0.000 38.482 38.460 0.037 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758