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 2x05_1_B DATA FIRST_RESID 48 DATA SEQUENCE AGNATPIPGY VIQSSAQVSD DSAVSKPGFP TSGWYPVSSR STVYAGLLQN DATA SEQUENCE GKYADPFYST NMQNVPAAQF SVPWWYRTDL NVDDTSSRTY LDFSGVLSKA DATA SEQUENCE DVWVNGTKVA TKDQVNGAYT RHDLDITAQV HTGVNSVAFK VYPNDPNRDL DATA SEQUENCE SMGWIDWAQT PPDQNMGIVR DVLVRRSGAV ALRSAHVIQK LNSALDHADL DATA SEQUENCE TVKADVRNDS ANAVQTTVAG TVAGKPISQT VSLAAKERKT VTFPLVGLDR DATA SEQUENCE PNVWWPAGMG GQHRYDLDLT ASVGGTPSDA AKSKFGVRDV KATLNSSGGR DATA SEQUENCE QYSVNGKPLL IRGGGYTPDL FLRWNETAAA DKLKYVLNLG LNTVRLEGHI DATA SEQUENCE EPDEFFDIAD DLGVLTMPGW ECCDKWEGQV NGEEKGEPWV ESDYPIAKAS DATA SEQUENCE MFSEAERLRD HPSVISFHIG SDFAPDRRIE QGYLDAMKAA DFLLPVIPAA DATA SEQUENCE SARPSPITGA SGMKMNGPYD YVPPVYWYDK SQKDRGGAWS FNSETSAGVD DATA SEQUENCE IPTMDTLKRM MSASELDTMW KNPSAKQYHR SSSDTFGNLK LFGDALTKRY DATA SEQUENCE GASANLNDFV RKAQLSQYEN VRAEFESHSR NYTDSTNPST GLIYWMLNSP DATA SEQUENCE WTSLHWQLFD AYMDQNGAYY GAKKANEPLH IQYSHDNRSV VVINQTSNAV DATA SEQUENCE SGLTATTKLY NLDGTEKYSN TKTGLSVGAL GAKATAVTVP AVSGLSTTYL DATA SEQUENCE AKNVLTDSSG KEVSRNVYWL STKADTLNWG GSDWYYTPQS AFADLSGLNN DATA SEQUENCE LGQSAVGATA NSVAGADGTT TTTVTLKNTS GGRLPAFYVD SKVVDSAGKP DATA SEQUENCE VLPVEWNDNA VSLWPGETTT LTAKYRTADL KGSKPSVRIS GWNTGTQTVP DATA SEQUENCE AD 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 48 A HA 0.000 nan 4.320 nan 0.000 0.244 48 A C 0.000 177.612 177.584 0.046 0.000 1.274 48 A CA 0.000 52.065 52.037 0.046 0.000 0.836 48 A CB 0.000 19.026 19.000 0.044 0.000 0.831 49 G N 0.529 109.360 108.800 0.052 0.000 2.963 49 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.262 49 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.262 49 G C -0.746 174.184 174.900 0.050 0.000 1.043 49 G CA 0.173 45.302 45.100 0.048 0.000 1.223 49 G HN 0.644 nan 8.290 nan 0.000 0.574 50 N N -0.334 118.402 118.700 0.061 0.000 2.471 50 N HA 0.859 5.599 4.740 -0.000 0.000 0.288 50 N C -0.180 175.374 175.510 0.074 0.000 1.220 50 N CA 0.014 53.103 53.050 0.065 0.000 0.893 50 N CB 2.093 40.621 38.487 0.068 0.000 1.256 50 N HN 1.261 nan 8.380 nan 0.000 0.534 51 A N 0.728 123.594 122.820 0.076 0.000 2.550 51 A HA 0.409 4.729 4.320 -0.000 0.000 0.282 51 A C -1.234 176.402 177.584 0.088 0.000 1.071 51 A CA -0.585 51.505 52.037 0.087 0.000 0.838 51 A CB 0.491 19.538 19.000 0.078 0.000 1.361 51 A HN 0.425 nan 8.150 nan 0.000 0.408 52 T N 4.879 119.491 114.554 0.096 0.000 2.815 52 T HA 0.650 5.000 4.350 -0.000 0.000 0.289 52 T C -2.813 171.947 174.700 0.100 0.000 1.000 52 T CA -1.274 60.879 62.100 0.089 0.000 0.958 52 T CB 1.582 70.497 68.868 0.078 0.000 0.944 52 T HN 0.487 nan 8.240 nan 0.000 0.442 53 P HA 0.258 nan 4.420 nan 0.000 0.272 53 P C -0.305 177.042 177.300 0.080 0.000 1.223 53 P CA -0.491 62.672 63.100 0.105 0.000 0.784 53 P CB 0.736 32.497 31.700 0.103 0.000 0.923 54 I N 4.753 125.368 120.570 0.075 0.000 2.452 54 I HA 0.049 4.219 4.170 -0.000 0.000 0.287 54 I C -0.907 175.167 176.117 -0.072 0.000 1.079 54 I CA -1.590 59.695 61.300 -0.024 0.000 1.387 54 I CB 0.925 38.886 38.000 -0.064 0.000 1.404 54 I HN 0.315 nan 8.210 nan 0.000 0.522 55 P HA 0.073 nan 4.420 nan 0.000 0.222 55 P C 0.453 177.731 177.300 -0.036 0.000 1.153 55 P CA 0.615 63.706 63.100 -0.015 0.000 0.798 55 P CB 0.433 32.137 31.700 0.007 0.000 0.796 56 G N -2.078 106.605 108.800 -0.196 0.000 2.506 56 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 56 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 56 G C -2.231 172.434 174.900 -0.391 0.000 1.425 56 G CA -0.591 44.425 45.100 -0.141 0.000 0.788 56 G HN -0.094 nan 8.290 nan 0.000 0.490 57 Y N -1.377 119.038 120.300 0.193 0.000 2.588 57 Y HA 0.624 5.174 4.550 -0.000 0.000 0.343 57 Y C 0.361 176.381 175.900 0.201 0.000 1.065 57 Y CA -1.061 57.172 58.100 0.222 0.000 1.038 57 Y CB 2.402 41.042 38.460 0.300 0.000 1.297 57 Y HN 0.596 nan 8.280 nan 0.000 0.467 58 V N 1.505 121.660 119.914 0.403 0.000 2.532 58 V HA 0.790 4.910 4.120 -0.000 0.000 0.295 58 V C -0.321 176.105 176.094 0.554 0.000 1.041 58 V CA -0.812 61.740 62.300 0.420 0.000 0.926 58 V CB 1.224 33.268 31.823 0.368 0.000 0.992 58 V HN 0.727 nan 8.190 nan 0.000 0.457 59 I N 0.839 121.691 120.570 0.470 0.000 2.892 59 I HA 0.981 5.151 4.170 -0.000 0.000 0.306 59 I C -0.804 175.336 176.117 0.038 0.000 1.078 59 I CA -0.803 60.681 61.300 0.307 0.000 1.032 59 I CB 2.369 40.357 38.000 -0.020 0.000 1.229 59 I HN 0.707 nan 8.210 nan 0.000 0.435 60 Q N 2.302 121.839 119.800 -0.439 0.000 2.472 60 Q HA 0.379 4.719 4.340 -0.000 0.000 0.281 60 Q C -1.065 174.307 176.000 -1.047 0.000 0.997 60 Q CA -0.443 54.760 55.803 -1.000 0.000 0.828 60 Q CB 2.347 29.735 28.738 -2.251 0.000 1.443 60 Q HN 0.912 nan 8.270 nan 0.000 0.390 61 S N 0.279 114.880 115.700 -1.833 0.000 2.563 61 S HA 0.089 4.559 4.470 -0.000 0.000 0.284 61 S C 0.787 174.983 174.600 -0.674 0.000 1.331 61 S CA 0.649 57.806 58.200 -1.739 0.000 1.047 61 S CB 0.222 62.577 63.200 -1.408 0.000 0.859 61 S HN 0.714 nan 8.310 nan 0.000 0.514 62 S N 3.717 119.234 115.700 -0.305 0.000 2.547 62 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 62 S C 1.843 176.401 174.600 -0.070 0.000 0.980 62 S CA 0.524 58.749 58.200 0.042 0.000 0.941 62 S CB -0.643 62.648 63.200 0.152 0.000 0.763 62 S HN 0.932 nan 8.310 nan 0.000 0.532 63 A N 1.297 124.002 122.820 -0.193 0.000 2.070 63 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 63 A C 2.065 179.563 177.584 -0.143 0.000 1.159 63 A CA 1.032 52.976 52.037 -0.155 0.000 0.656 63 A CB -0.309 18.579 19.000 -0.187 0.000 0.800 63 A HN 0.472 nan 8.150 nan 0.000 0.453 64 Q N -0.501 119.182 119.800 -0.195 0.000 2.246 64 Q HA 0.239 4.579 4.340 -0.000 0.000 0.202 64 Q C -0.692 175.303 176.000 -0.009 0.000 0.883 64 Q CA 0.228 55.958 55.803 -0.123 0.000 0.952 64 Q CB 0.424 29.044 28.738 -0.197 0.000 1.078 64 Q HN 0.348 nan 8.270 nan 0.000 0.493 65 V N 1.587 121.480 119.914 -0.036 0.000 2.407 65 V HA 0.195 4.315 4.120 -0.000 0.000 0.291 65 V C 0.916 176.994 176.094 -0.028 0.000 1.018 65 V CA -0.099 62.174 62.300 -0.044 0.000 0.842 65 V CB 1.686 33.374 31.823 -0.224 0.000 0.996 65 V HN 0.204 nan 8.190 nan 0.000 0.426 66 S N 1.614 117.301 115.700 -0.023 0.000 2.502 66 S HA 0.141 4.611 4.470 -0.000 0.000 0.215 66 S C 0.323 174.906 174.600 -0.028 0.000 1.009 66 S CA 0.253 58.444 58.200 -0.015 0.000 0.908 66 S CB 0.199 63.393 63.200 -0.010 0.000 0.801 66 S HN 0.712 nan 8.310 nan 0.000 0.505 67 D N 0.542 120.896 120.400 -0.076 0.000 2.473 67 D HA 0.396 5.036 4.640 -0.000 0.000 0.253 67 D C -0.242 175.898 176.300 -0.268 0.000 1.233 67 D CA -0.410 53.524 54.000 -0.110 0.000 0.908 67 D CB 1.550 42.300 40.800 -0.085 0.000 1.170 67 D HN -0.183 nan 8.370 nan 0.000 0.558 68 D N 0.805 121.075 120.400 -0.218 0.000 2.126 68 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 68 D C 1.963 177.640 176.300 -1.037 0.000 1.001 68 D CA 2.087 55.842 54.000 -0.409 0.000 0.841 68 D CB -0.003 40.784 40.800 -0.022 0.000 0.949 68 D HN 0.482 nan 8.370 nan 0.000 0.446 69 S N -0.090 115.110 115.700 -0.832 0.000 2.440 69 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 69 S C 1.998 176.271 174.600 -0.544 0.000 1.010 69 S CA 1.244 58.987 58.200 -0.762 0.000 0.972 69 S CB -0.318 62.828 63.200 -0.090 0.000 0.774 69 S HN 0.276 nan 8.310 nan 0.000 0.501 70 A N 1.207 123.710 122.820 -0.528 0.000 1.970 70 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 70 A C 2.333 179.452 177.584 -0.775 0.000 1.170 70 A CA 1.189 52.986 52.037 -0.400 0.000 0.645 70 A CB -0.866 18.046 19.000 -0.147 0.000 0.816 70 A HN 0.503 nan 8.150 nan 0.000 0.447 71 V N 1.067 120.178 119.914 -1.338 0.000 2.469 71 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 71 V C 2.527 178.072 176.094 -0.915 0.000 1.064 71 V CA 2.185 63.359 62.300 -1.876 0.000 1.066 71 V CB -0.893 29.837 31.823 -1.821 0.000 0.667 71 V HN 0.763 nan 8.190 nan 0.000 0.461 72 S N -1.782 113.611 115.700 -0.512 0.000 2.577 72 S HA 0.184 4.654 4.470 -0.000 0.000 0.219 72 S C 0.560 175.116 174.600 -0.074 0.000 0.962 72 S CA -0.339 57.767 58.200 -0.157 0.000 0.921 72 S CB -0.233 62.999 63.200 0.053 0.000 0.789 72 S HN 0.558 nan 8.310 nan 0.000 0.497 73 K N 2.810 123.140 120.400 -0.117 0.000 2.258 73 K HA 0.354 4.674 4.320 -0.000 0.000 0.284 73 K C -2.898 173.721 176.600 0.031 0.000 1.051 73 K CA -2.201 54.081 56.287 -0.009 0.000 0.923 73 K CB 0.591 33.086 32.500 -0.009 0.000 1.046 73 K HN 0.105 nan 8.250 nan 0.000 0.474 74 P HA -0.064 nan 4.420 nan 0.000 0.264 74 P C 0.589 177.913 177.300 0.040 0.000 1.193 74 P CA 0.841 63.979 63.100 0.063 0.000 0.763 74 P CB 0.647 32.411 31.700 0.106 0.000 0.810 75 G N 2.835 111.648 108.800 0.023 0.000 2.213 75 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 75 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 75 G C 0.129 175.012 174.900 -0.029 0.000 0.991 75 G CA -0.555 44.538 45.100 -0.012 0.000 0.629 75 G HN 0.539 nan 8.290 nan 0.000 0.517 76 F N 5.128 124.984 119.950 -0.157 0.000 2.549 76 F HA 0.393 4.920 4.527 -0.000 0.000 0.400 76 F C -0.757 174.877 175.800 -0.277 0.000 1.011 76 F CA -1.128 56.735 58.000 -0.229 0.000 1.148 76 F CB 0.356 39.180 39.000 -0.293 0.000 0.993 76 F HN 0.109 nan 8.300 nan 0.000 0.540 77 P HA 0.104 nan 4.420 nan 0.000 0.271 77 P C -0.285 176.465 177.300 -0.916 0.000 1.216 77 P CA -0.163 62.548 63.100 -0.649 0.000 0.771 77 P CB 0.973 32.370 31.700 -0.505 0.000 0.864 78 T N -2.670 111.496 114.554 -0.645 0.000 3.393 78 T HA 0.136 4.485 4.350 -0.000 0.000 0.298 78 T C 0.484 174.988 174.700 -0.327 0.000 1.004 78 T CA -0.442 61.124 62.100 -0.890 0.000 0.956 78 T CB -0.685 67.659 68.868 -0.873 0.000 1.182 78 T HN 0.414 nan 8.240 nan 0.000 0.497 79 S N 0.933 116.526 115.700 -0.177 0.000 2.552 79 S HA 0.412 4.882 4.470 -0.000 0.000 0.289 79 S C 1.825 176.480 174.600 0.091 0.000 1.304 79 S CA 1.036 59.212 58.200 -0.041 0.000 1.063 79 S CB -0.433 62.723 63.200 -0.074 0.000 0.848 79 S HN 1.698 nan 8.310 nan 0.000 0.499 80 G N 3.365 112.187 108.800 0.037 0.000 2.184 80 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.264 80 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.264 80 G C -0.087 174.699 174.900 -0.189 0.000 0.975 80 G CA 0.270 45.334 45.100 -0.059 0.000 0.642 80 G HN 0.682 nan 8.290 nan 0.000 0.536 81 W N 0.186 121.307 121.300 -0.299 0.000 2.184 81 W HA 0.669 5.329 4.660 -0.000 0.000 0.338 81 W C 0.250 176.611 176.519 -0.263 0.000 1.257 81 W CA -0.753 56.413 57.345 -0.299 0.000 1.243 81 W CB 0.123 29.535 29.460 -0.080 0.000 1.122 81 W HN 0.105 nan 8.180 nan 0.000 0.585 82 Y N 3.654 124.119 120.300 0.274 0.000 2.425 82 Y HA 0.249 4.799 4.550 -0.000 0.000 0.347 82 Y C -1.627 174.391 175.900 0.197 0.000 0.976 82 Y CA -3.156 55.060 58.100 0.193 0.000 1.190 82 Y CB -0.242 38.318 38.460 0.167 0.000 1.136 82 Y HN -0.004 nan 8.280 nan 0.000 0.517 83 P HA 0.140 nan 4.420 nan 0.000 0.271 83 P C -0.696 176.735 177.300 0.218 0.000 1.216 83 P CA 0.036 63.276 63.100 0.233 0.000 0.771 83 P CB 1.561 33.362 31.700 0.169 0.000 0.864 84 V N 0.093 120.142 119.914 0.226 0.000 3.007 84 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 84 V C -0.064 176.171 176.094 0.235 0.000 1.120 84 V CA -0.942 61.486 62.300 0.213 0.000 0.980 84 V CB 1.669 33.618 31.823 0.210 0.000 1.033 84 V HN 0.506 nan 8.190 nan 0.000 0.429 85 S N 1.758 117.582 115.700 0.206 0.000 2.608 85 S HA 0.401 4.870 4.470 -0.000 0.000 0.261 85 S C 0.520 175.299 174.600 0.298 0.000 1.314 85 S CA 0.075 58.401 58.200 0.209 0.000 0.992 85 S CB 1.081 64.387 63.200 0.177 0.000 0.935 85 S HN 1.365 nan 8.310 nan 0.000 0.564 86 S N 0.331 116.194 115.700 0.273 0.000 2.560 86 S HA 0.071 4.541 4.470 -0.000 0.000 0.276 86 S C 0.677 175.448 174.600 0.286 0.000 1.350 86 S CA 0.005 58.401 58.200 0.327 0.000 1.024 86 S CB -0.354 62.984 63.200 0.229 0.000 0.864 86 S HN 0.727 nan 8.310 nan 0.000 0.536 87 R N 0.226 120.872 120.500 0.243 0.000 3.776 87 R HA -0.118 4.221 4.340 -0.000 0.000 0.312 87 R C -0.604 175.815 176.300 0.199 0.000 1.181 87 R CA 0.782 56.988 56.100 0.177 0.000 0.836 87 R CB -2.783 27.627 30.300 0.183 0.000 1.324 87 R HN 0.486 nan 8.270 nan 0.000 0.501 88 S N 1.157 116.994 115.700 0.229 0.000 2.475 88 S HA 0.262 4.732 4.470 -0.000 0.000 0.281 88 S C 0.841 175.566 174.600 0.207 0.000 1.198 88 S CA -0.390 57.947 58.200 0.228 0.000 1.063 88 S CB 1.637 64.989 63.200 0.254 0.000 0.972 88 S HN 0.296 nan 8.310 nan 0.000 0.486 89 T N 0.060 114.706 114.554 0.154 0.000 2.856 89 T HA 0.200 4.550 4.350 -0.000 0.000 0.306 89 T C 1.479 176.224 174.700 0.074 0.000 1.062 89 T CA -0.792 61.372 62.100 0.108 0.000 1.083 89 T CB 0.414 69.347 68.868 0.109 0.000 0.984 89 T HN 0.209 nan 8.240 nan 0.000 0.542 90 V N 1.377 121.273 119.914 -0.029 0.000 2.287 90 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 90 V C 2.122 178.074 176.094 -0.236 0.000 1.053 90 V CA 1.918 64.082 62.300 -0.226 0.000 1.027 90 V CB -1.259 30.193 31.823 -0.618 0.000 0.646 90 V HN 0.931 nan 8.190 nan 0.000 0.447 91 Y N 1.358 121.397 120.300 -0.435 0.000 2.181 91 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 91 Y C 2.358 178.106 175.900 -0.253 0.000 1.146 91 Y CA 1.139 58.988 58.100 -0.418 0.000 1.164 91 Y CB -0.771 37.328 38.460 -0.601 0.000 0.982 91 Y HN 0.152 nan 8.280 nan 0.000 0.515 92 A N 0.083 122.761 122.820 -0.237 0.000 1.883 92 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 92 A C 2.537 180.032 177.584 -0.149 0.000 1.186 92 A CA 1.913 53.829 52.037 -0.202 0.000 0.624 92 A CB -1.682 17.339 19.000 0.034 0.000 0.822 92 A HN 0.567 nan 8.150 nan 0.000 0.444 93 G N -0.503 108.257 108.800 -0.067 0.000 2.432 93 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 93 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 93 G C 1.499 176.347 174.900 -0.087 0.000 1.135 93 G CA 0.942 46.029 45.100 -0.022 0.000 0.767 93 G HN 0.444 nan 8.290 nan 0.000 0.550 94 L N -0.236 120.891 121.223 -0.160 0.000 2.156 94 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 94 L C 2.710 179.471 176.870 -0.182 0.000 1.095 94 L CA 0.340 55.056 54.840 -0.207 0.000 0.770 94 L CB -0.236 41.810 42.059 -0.021 0.000 0.914 94 L HN 0.187 nan 8.230 nan 0.000 0.439 95 L N -0.949 120.126 121.223 -0.247 0.000 2.240 95 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 95 L C 2.559 179.345 176.870 -0.140 0.000 1.106 95 L CA 0.730 55.425 54.840 -0.242 0.000 0.793 95 L CB -0.361 41.448 42.059 -0.417 0.000 0.927 95 L HN 0.323 nan 8.230 nan 0.000 0.446 96 Q N 0.006 119.747 119.800 -0.099 0.000 2.226 96 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 96 Q C 1.149 177.138 176.000 -0.018 0.000 0.975 96 Q CA 0.972 56.756 55.803 -0.032 0.000 0.866 96 Q CB -0.018 28.730 28.738 0.016 0.000 0.915 96 Q HN 0.566 nan 8.270 nan 0.000 0.440 97 N N -0.740 117.935 118.700 -0.041 0.000 2.268 97 N HA 0.055 4.795 4.740 -0.000 0.000 0.204 97 N C 0.347 175.828 175.510 -0.047 0.000 1.124 97 N CA 0.607 53.650 53.050 -0.012 0.000 0.838 97 N CB 1.211 39.708 38.487 0.017 0.000 0.994 97 N HN 0.292 nan 8.380 nan 0.000 0.489 98 G N 1.824 110.581 108.800 -0.071 0.000 2.198 98 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 98 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 98 G C 1.140 175.963 174.900 -0.128 0.000 1.025 98 G CA 0.167 45.224 45.100 -0.071 0.000 0.769 98 G HN 0.214 nan 8.290 nan 0.000 0.507 99 K N -1.389 118.878 120.400 -0.221 0.000 2.228 99 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 99 K C 0.365 176.541 176.600 -0.706 0.000 1.051 99 K CA 1.032 57.032 56.287 -0.479 0.000 0.960 99 K CB 0.090 32.214 32.500 -0.628 0.000 0.743 99 K HN 0.565 nan 8.250 nan 0.000 0.458 100 Y N -0.988 119.307 120.300 -0.008 0.000 2.581 100 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 100 Y C 0.152 176.075 175.900 0.039 0.000 1.036 100 Y CA -1.435 56.692 58.100 0.044 0.000 1.042 100 Y CB 1.096 39.628 38.460 0.121 0.000 1.289 100 Y HN -0.140 nan 8.280 nan 0.000 0.471 101 A N 0.294 123.268 122.820 0.256 0.000 2.346 101 A HA 0.165 4.485 4.320 -0.000 0.000 0.255 101 A C -0.287 177.419 177.584 0.204 0.000 1.113 101 A CA -0.120 52.031 52.037 0.190 0.000 0.798 101 A CB -0.103 19.018 19.000 0.201 0.000 1.073 101 A HN 0.713 nan 8.150 nan 0.000 0.502 102 D N 0.359 120.881 120.400 0.204 0.000 2.342 102 D HA 0.196 4.836 4.640 -0.000 0.000 0.260 102 D C -1.325 175.196 176.300 0.369 0.000 1.278 102 D CA -1.782 52.350 54.000 0.221 0.000 0.910 102 D CB 0.775 41.695 40.800 0.200 0.000 1.079 102 D HN 0.137 nan 8.370 nan 0.000 0.496 103 P HA -0.150 nan 4.420 nan 0.000 0.221 103 P C 1.178 179.008 177.300 0.884 0.000 1.145 103 P CA 0.630 64.098 63.100 0.614 0.000 0.795 103 P CB 0.021 32.111 31.700 0.651 0.000 0.775 104 F N -1.825 118.410 119.950 0.476 0.000 2.661 104 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 104 F C 1.186 177.156 175.800 0.284 0.000 1.137 104 F CA -0.329 57.894 58.000 0.372 0.000 1.454 104 F CB -1.207 37.948 39.000 0.258 0.000 1.103 104 F HN -0.079 nan 8.300 nan 0.000 0.577 105 Y N 0.002 120.531 120.300 0.382 0.000 2.331 105 Y HA 0.462 5.012 4.550 -0.000 0.000 0.338 105 Y C 0.870 176.934 175.900 0.273 0.000 0.976 105 Y CA -0.371 57.854 58.100 0.209 0.000 1.137 105 Y CB 0.849 39.407 38.460 0.164 0.000 1.172 105 Y HN 0.048 nan 8.280 nan 0.000 0.478 106 S N 2.840 118.275 115.700 -0.441 0.000 3.949 106 S HA -0.319 4.151 4.470 -0.000 0.000 0.626 106 S C 0.986 175.660 174.600 0.123 0.000 2.168 106 S CA 2.279 60.257 58.200 -0.370 0.000 4.124 106 S CB -1.726 60.962 63.200 -0.853 0.000 0.220 106 S HN 1.333 nan 8.310 nan 0.000 0.750 107 T N -0.312 114.219 114.554 -0.039 0.000 3.176 107 T HA 0.364 4.714 4.350 -0.000 0.000 0.263 107 T C 1.106 175.805 174.700 -0.002 0.000 1.021 107 T CA 0.575 62.599 62.100 -0.127 0.000 0.905 107 T CB -0.291 68.390 68.868 -0.311 0.000 1.057 107 T HN 0.460 nan 8.240 nan 0.000 0.558 108 N N 1.981 120.762 118.700 0.136 0.000 2.096 108 N HA -0.156 4.583 4.740 -0.000 0.000 0.195 108 N C 1.542 177.161 175.510 0.183 0.000 1.017 108 N CA 1.588 54.751 53.050 0.189 0.000 0.870 108 N CB -0.388 38.270 38.487 0.285 0.000 1.024 108 N HN 0.483 nan 8.380 nan 0.000 0.434 109 M N 0.718 120.482 119.600 0.272 0.000 2.159 109 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 109 M C 1.882 178.223 176.300 0.068 0.000 1.063 109 M CA 1.404 56.834 55.300 0.217 0.000 1.110 109 M CB -0.001 32.827 32.600 0.379 0.000 1.374 109 M HN 0.139 nan 8.290 nan 0.000 0.411 110 Q N -0.014 119.799 119.800 0.021 0.000 2.226 110 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 110 Q C 0.822 176.786 176.000 -0.059 0.000 0.975 110 Q CA 1.108 56.862 55.803 -0.082 0.000 0.866 110 Q CB -0.052 28.529 28.738 -0.262 0.000 0.915 110 Q HN 0.576 nan 8.270 nan 0.000 0.440 111 N N -0.457 118.226 118.700 -0.027 0.000 2.398 111 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 111 N C -0.527 174.970 175.510 -0.021 0.000 1.122 111 N CA 0.186 53.233 53.050 -0.004 0.000 0.866 111 N CB 0.486 38.997 38.487 0.041 0.000 0.970 111 N HN -0.045 nan 8.380 nan 0.000 0.462 112 V N 2.831 122.680 119.914 -0.108 0.000 2.455 112 V HA 0.190 4.310 4.120 -0.000 0.000 0.273 112 V C -1.966 174.045 176.094 -0.138 0.000 1.045 112 V CA -1.571 60.573 62.300 -0.260 0.000 0.976 112 V CB 0.622 32.151 31.823 -0.490 0.000 0.993 112 V HN -0.020 nan 8.190 nan 0.000 0.475 113 P HA 0.162 nan 4.420 nan 0.000 0.263 113 P C 0.489 177.746 177.300 -0.072 0.000 1.195 113 P CA 0.089 63.154 63.100 -0.058 0.000 0.762 113 P CB 0.965 32.644 31.700 -0.035 0.000 0.799 114 A N 4.239 127.052 122.820 -0.011 0.000 1.975 114 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 114 A C 2.084 179.685 177.584 0.029 0.000 1.170 114 A CA 1.295 53.383 52.037 0.084 0.000 0.656 114 A CB -1.190 17.848 19.000 0.063 0.000 0.821 114 A HN 0.503 nan 8.150 nan 0.000 0.449 115 A N 0.981 123.783 122.820 -0.030 0.000 1.948 115 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 115 A C 2.138 179.688 177.584 -0.057 0.000 1.177 115 A CA 1.896 53.919 52.037 -0.023 0.000 0.636 115 A CB -0.829 18.157 19.000 -0.024 0.000 0.815 115 A HN 0.790 nan 8.150 nan 0.000 0.449 116 Q N -1.929 117.748 119.800 -0.206 0.000 2.364 116 Q HA -0.110 4.230 4.340 -0.000 0.000 0.209 116 Q C 0.797 176.772 176.000 -0.042 0.000 0.977 116 Q CA 1.454 57.127 55.803 -0.217 0.000 0.885 116 Q CB -0.462 28.063 28.738 -0.355 0.000 0.941 116 Q HN 0.621 nan 8.270 nan 0.000 0.464 117 F N 1.070 121.152 119.950 0.219 0.000 2.664 117 F HA 0.226 4.752 4.527 -0.000 0.000 0.303 117 F C 1.724 177.600 175.800 0.128 0.000 1.092 117 F CA -0.009 58.090 58.000 0.165 0.000 1.305 117 F CB 0.371 39.356 39.000 -0.025 0.000 1.054 117 F HN 0.161 nan 8.300 nan 0.000 0.565 118 S N -0.621 115.214 115.700 0.226 0.000 2.593 118 S HA 0.187 4.657 4.470 -0.000 0.000 0.217 118 S C 0.490 175.178 174.600 0.147 0.000 0.966 118 S CA 0.208 58.501 58.200 0.154 0.000 0.914 118 S CB -0.953 62.303 63.200 0.095 0.000 0.776 118 S HN 0.043 nan 8.310 nan 0.000 0.523 119 V N -2.915 117.108 119.914 0.182 0.000 3.019 119 V HA 0.713 4.833 4.120 -0.000 0.000 0.317 119 V C -3.145 173.058 176.094 0.181 0.000 1.094 119 V CA -3.240 59.137 62.300 0.128 0.000 1.000 119 V CB 0.854 32.706 31.823 0.048 0.000 1.060 119 V HN -0.121 nan 8.190 nan 0.000 0.443 120 P HA 0.124 nan 4.420 nan 0.000 0.269 120 P C -1.396 175.983 177.300 0.131 0.000 1.211 120 P CA 0.441 63.492 63.100 -0.082 0.000 0.781 120 P CB 0.210 31.605 31.700 -0.508 0.000 0.877 121 W N 1.021 122.264 121.300 -0.095 0.000 2.761 121 W HA 0.423 5.083 4.660 -0.000 0.000 0.340 121 W C -1.001 175.526 176.519 0.014 0.000 1.072 121 W CA 0.271 57.633 57.345 0.028 0.000 1.215 121 W CB 0.883 30.425 29.460 0.136 0.000 1.420 121 W HN 0.371 nan 8.180 nan 0.000 0.519 122 W N 2.271 123.705 121.300 0.224 0.000 2.417 122 W HA 0.442 5.102 4.660 -0.000 0.000 0.317 122 W C -0.846 175.919 176.519 0.410 0.000 1.121 122 W CA -0.592 56.931 57.345 0.296 0.000 1.208 122 W CB 0.595 30.198 29.460 0.239 0.000 1.253 122 W HN 0.109 nan 8.180 nan 0.000 0.533 123 Y N 3.195 123.785 120.300 0.484 0.000 2.328 123 Y HA 0.483 5.033 4.550 -0.000 0.000 0.337 123 Y C 0.429 176.665 175.900 0.559 0.000 0.966 123 Y CA -1.029 57.299 58.100 0.381 0.000 1.136 123 Y CB 1.333 39.742 38.460 -0.084 0.000 1.170 123 Y HN 0.207 nan 8.280 nan 0.000 0.470 124 R N 1.906 122.824 120.500 0.697 0.000 2.686 124 R HA 0.684 5.024 4.340 -0.000 0.000 0.283 124 R C -1.484 175.108 176.300 0.487 0.000 0.978 124 R CA -0.426 55.995 56.100 0.535 0.000 0.897 124 R CB 2.280 32.759 30.300 0.298 0.000 1.192 124 R HN 0.703 nan 8.270 nan 0.000 0.457 125 T N 1.325 116.087 114.554 0.347 0.000 2.885 125 T HA 0.264 4.614 4.350 -0.000 0.000 0.322 125 T C -1.654 173.118 174.700 0.120 0.000 1.387 125 T CA -0.739 61.478 62.100 0.195 0.000 1.041 125 T CB 1.376 70.311 68.868 0.112 0.000 1.287 125 T HN 0.518 nan 8.240 nan 0.000 0.491 126 D N 2.172 122.611 120.400 0.066 0.000 2.312 126 D HA 0.554 5.194 4.640 -0.000 0.000 0.248 126 D C -0.277 176.049 176.300 0.043 0.000 1.086 126 D CA -0.161 53.868 54.000 0.049 0.000 0.948 126 D CB 1.185 42.006 40.800 0.034 0.000 1.162 126 D HN 0.391 nan 8.370 nan 0.000 0.446 127 L N 1.331 122.576 121.223 0.036 0.000 2.385 127 L HA 0.378 4.718 4.340 -0.000 0.000 0.273 127 L C -0.037 176.847 176.870 0.023 0.000 0.990 127 L CA -0.794 54.064 54.840 0.031 0.000 0.821 127 L CB 1.701 43.779 42.059 0.031 0.000 1.279 127 L HN 0.090 nan 8.230 nan 0.000 0.412 128 N N 1.564 120.281 118.700 0.028 0.000 2.455 128 N HA 0.482 5.222 4.740 -0.000 0.000 0.280 128 N C -1.102 174.425 175.510 0.029 0.000 1.055 128 N CA -0.488 52.580 53.050 0.030 0.000 0.961 128 N CB 2.286 40.792 38.487 0.033 0.000 1.121 128 N HN 0.175 nan 8.380 nan 0.000 0.476 129 V N 2.103 122.033 119.914 0.027 0.000 2.487 129 V HA 0.120 4.240 4.120 -0.000 0.000 0.298 129 V C 0.262 176.379 176.094 0.038 0.000 1.028 129 V CA -0.631 61.685 62.300 0.026 0.000 0.860 129 V CB 1.838 33.663 31.823 0.004 0.000 0.991 129 V HN 0.735 nan 8.190 nan 0.000 0.427 130 D N 2.696 123.119 120.400 0.038 0.000 2.234 130 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 130 D C 0.276 176.601 176.300 0.040 0.000 0.962 130 D CA 1.313 55.337 54.000 0.039 0.000 0.855 130 D CB 0.600 41.422 40.800 0.037 0.000 0.951 130 D HN 0.924 nan 8.370 nan 0.000 0.500 131 D N -2.823 117.601 120.400 0.040 0.000 2.710 131 D HA 0.009 4.649 4.640 -0.000 0.000 0.276 131 D C -0.302 176.020 176.300 0.037 0.000 1.267 131 D CA -0.640 53.384 54.000 0.040 0.000 0.772 131 D CB 0.593 41.415 40.800 0.037 0.000 1.299 131 D HN -0.181 nan 8.370 nan 0.000 0.421 132 T N -2.271 112.305 114.554 0.037 0.000 3.251 132 T HA 0.296 4.646 4.350 -0.000 0.000 0.259 132 T C 0.654 175.371 174.700 0.029 0.000 0.998 132 T CA -0.098 62.020 62.100 0.030 0.000 0.905 132 T CB -0.260 68.628 68.868 0.033 0.000 1.067 132 T HN 0.225 nan 8.240 nan 0.000 0.569 133 S N 1.393 117.114 115.700 0.034 0.000 2.414 133 S HA 0.109 4.579 4.470 -0.000 0.000 0.227 133 S C 1.063 175.689 174.600 0.042 0.000 1.022 133 S CA -0.009 58.212 58.200 0.035 0.000 0.958 133 S CB 0.022 63.242 63.200 0.035 0.000 0.797 133 S HN 0.595 nan 8.310 nan 0.000 0.493 134 S N 2.064 117.793 115.700 0.048 0.000 2.537 134 S HA 0.340 4.810 4.470 -0.000 0.000 0.275 134 S C 0.266 174.903 174.600 0.062 0.000 1.272 134 S CA -0.628 57.612 58.200 0.067 0.000 1.050 134 S CB 0.794 64.040 63.200 0.077 0.000 0.961 134 S HN 0.303 nan 8.310 nan 0.000 0.496 135 R N 1.273 121.827 120.500 0.089 0.000 2.784 135 R HA 0.273 4.613 4.340 -0.000 0.000 0.266 135 R C -0.205 176.114 176.300 0.030 0.000 1.044 135 R CA 0.200 56.321 56.100 0.035 0.000 1.151 135 R CB 0.159 30.525 30.300 0.111 0.000 1.037 135 R HN 0.497 nan 8.270 nan 0.000 0.478 136 T N 1.521 115.956 114.554 -0.200 0.000 2.876 136 T HA 0.499 4.849 4.350 -0.000 0.000 0.289 136 T C -1.252 173.253 174.700 -0.325 0.000 1.014 136 T CA -0.650 61.395 62.100 -0.093 0.000 0.986 136 T CB 0.873 69.715 68.868 -0.044 0.000 1.021 136 T HN 0.371 nan 8.240 nan 0.000 0.458 137 Y N 0.873 121.223 120.300 0.083 0.000 2.492 137 Y HA 0.570 5.120 4.550 -0.000 0.000 0.346 137 Y C -0.491 175.501 175.900 0.153 0.000 0.997 137 Y CA -1.333 56.832 58.100 0.108 0.000 1.025 137 Y CB 1.547 40.068 38.460 0.102 0.000 1.263 137 Y HN 0.369 nan 8.280 nan 0.000 0.454 138 L N 3.086 124.516 121.223 0.345 0.000 2.275 138 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 138 L C -0.940 176.229 176.870 0.499 0.000 1.046 138 L CA -0.393 54.700 54.840 0.421 0.000 0.805 138 L CB 1.144 43.470 42.059 0.444 0.000 1.193 138 L HN 0.590 nan 8.230 nan 0.000 0.426 139 D N 4.313 124.997 120.400 0.474 0.000 2.696 139 D HA 0.622 5.262 4.640 -0.000 0.000 0.251 139 D C -1.182 175.366 176.300 0.412 0.000 1.188 139 D CA -0.148 54.047 54.000 0.324 0.000 0.876 139 D CB 1.322 42.238 40.800 0.193 0.000 1.334 139 D HN 0.278 nan 8.370 nan 0.000 0.540 140 F N 0.769 120.824 119.950 0.176 0.000 2.744 140 F HA 0.653 5.180 4.527 -0.000 0.000 0.311 140 F C -1.167 174.721 175.800 0.146 0.000 1.144 140 F CA -0.883 57.206 58.000 0.147 0.000 0.938 140 F CB 0.504 39.599 39.000 0.158 0.000 1.292 140 F HN 0.212 nan 8.300 nan 0.000 0.444 141 S N -0.442 115.393 115.700 0.226 0.000 2.911 141 S HA 0.828 5.298 4.470 -0.000 0.000 0.319 141 S C 0.378 175.096 174.600 0.197 0.000 1.154 141 S CA -0.621 57.679 58.200 0.166 0.000 0.857 141 S CB 0.920 64.158 63.200 0.064 0.000 1.279 141 S HN 2.636 nan 8.310 nan 0.000 0.593 142 G N -0.427 108.424 108.800 0.086 0.000 2.160 142 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.244 142 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.244 142 G C -0.011 174.865 174.900 -0.040 0.000 1.022 142 G CA 0.029 45.124 45.100 -0.009 0.000 0.741 142 G HN 1.816 nan 8.290 nan 0.000 0.508 143 V N 1.237 121.161 119.914 0.017 0.000 2.406 143 V HA 0.750 4.870 4.120 -0.000 0.000 0.272 143 V C 0.294 176.352 176.094 -0.060 0.000 1.043 143 V CA -0.978 61.295 62.300 -0.045 0.000 0.915 143 V CB 0.909 32.734 31.823 0.004 0.000 0.988 143 V HN 0.374 nan 8.190 nan 0.000 0.466 144 L N 6.620 127.785 121.223 -0.097 0.000 2.319 144 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 144 L C 0.981 177.823 176.870 -0.045 0.000 1.005 144 L CA -0.226 54.566 54.840 -0.080 0.000 0.828 144 L CB 1.622 43.631 42.059 -0.084 0.000 1.227 144 L HN 0.835 nan 8.230 nan 0.000 0.415 145 S N 1.684 117.379 115.700 -0.008 0.000 2.502 145 S HA 0.160 4.630 4.470 -0.000 0.000 0.215 145 S C 0.310 174.890 174.600 -0.033 0.000 1.009 145 S CA -0.172 58.003 58.200 -0.042 0.000 0.908 145 S CB 0.273 63.443 63.200 -0.050 0.000 0.801 145 S HN 0.792 nan 8.310 nan 0.000 0.505 146 K N -0.681 119.737 120.400 0.029 0.000 2.685 146 K HA 0.712 5.032 4.320 -0.000 0.000 0.290 146 K C -1.902 174.800 176.600 0.170 0.000 1.018 146 K CA -0.908 55.401 56.287 0.036 0.000 0.860 146 K CB 0.885 33.342 32.500 -0.071 0.000 1.498 146 K HN 0.255 nan 8.250 nan 0.000 0.390 147 A N 1.226 124.138 122.820 0.154 0.000 2.547 147 A HA 0.495 4.815 4.320 -0.000 0.000 0.297 147 A C -1.797 175.891 177.584 0.173 0.000 1.056 147 A CA -0.886 51.291 52.037 0.233 0.000 0.688 147 A CB 1.360 20.481 19.000 0.202 0.000 1.282 147 A HN 0.673 nan 8.150 nan 0.000 0.400 148 D N 1.031 121.561 120.400 0.217 0.000 2.302 148 D HA 0.446 5.085 4.640 -0.000 0.000 0.248 148 D C -0.425 175.914 176.300 0.066 0.000 1.094 148 D CA 0.228 54.295 54.000 0.112 0.000 0.897 148 D CB 1.827 42.778 40.800 0.251 0.000 1.200 148 D HN 0.190 nan 8.370 nan 0.000 0.429 149 V N 2.468 122.320 119.914 -0.104 0.000 2.448 149 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 149 V C -0.786 175.175 176.094 -0.221 0.000 1.025 149 V CA -0.812 61.352 62.300 -0.226 0.000 0.859 149 V CB 1.246 32.919 31.823 -0.249 0.000 0.988 149 V HN 0.467 nan 8.190 nan 0.000 0.431 150 W N 2.939 124.124 121.300 -0.193 0.000 2.761 150 W HA 0.805 5.465 4.660 -0.000 0.000 0.340 150 W C -0.811 175.645 176.519 -0.105 0.000 1.072 150 W CA -0.732 56.572 57.345 -0.068 0.000 1.215 150 W CB 2.141 31.640 29.460 0.064 0.000 1.420 150 W HN 0.287 nan 8.180 nan 0.000 0.519 151 V N 3.680 123.691 119.914 0.162 0.000 2.569 151 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 151 V C -0.285 175.870 176.094 0.102 0.000 1.044 151 V CA -1.353 60.995 62.300 0.079 0.000 0.874 151 V CB 1.554 33.379 31.823 0.003 0.000 1.002 151 V HN 0.718 nan 8.190 nan 0.000 0.424 152 N N 3.622 122.374 118.700 0.087 0.000 2.708 152 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 152 N C 1.137 176.726 175.510 0.132 0.000 1.097 152 N CA 1.812 54.922 53.050 0.101 0.000 0.710 152 N CB -1.020 37.526 38.487 0.099 0.000 1.032 152 N HN 1.680 nan 8.380 nan 0.000 0.551 153 G N -2.749 106.158 108.800 0.179 0.000 2.157 153 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 153 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 153 G C 0.086 175.253 174.900 0.445 0.000 0.979 153 G CA 0.613 45.860 45.100 0.246 0.000 0.650 153 G HN 0.527 nan 8.290 nan 0.000 0.529 154 T N 0.455 115.220 114.554 0.352 0.000 2.823 154 T HA 0.515 4.865 4.350 -0.000 0.000 0.279 154 T C 0.070 174.646 174.700 -0.206 0.000 0.998 154 T CA -0.514 61.654 62.100 0.114 0.000 0.994 154 T CB 1.986 70.867 68.868 0.021 0.000 0.960 154 T HN 0.273 nan 8.240 nan 0.000 0.448 155 K N 3.484 123.402 120.400 -0.804 0.000 2.183 155 K HA 0.214 4.534 4.320 -0.000 0.000 0.272 155 K C 1.331 177.607 176.600 -0.540 0.000 1.113 155 K CA -0.309 55.253 56.287 -1.208 0.000 0.949 155 K CB 0.064 31.644 32.500 -1.532 0.000 1.365 155 K HN 0.536 nan 8.250 nan 0.000 0.420 156 V N 0.949 120.641 119.914 -0.369 0.000 3.041 156 V HA 0.208 4.328 4.120 -0.000 0.000 0.260 156 V C 0.438 176.434 176.094 -0.163 0.000 1.105 156 V CA 0.835 63.017 62.300 -0.198 0.000 1.125 156 V CB -0.534 31.220 31.823 -0.115 0.000 0.730 156 V HN 0.579 nan 8.190 nan 0.000 0.479 157 A N -0.001 122.691 122.820 -0.213 0.000 2.605 157 A HA 0.697 5.016 4.320 -0.000 0.000 0.294 157 A C -0.199 177.290 177.584 -0.159 0.000 1.062 157 A CA 0.083 52.036 52.037 -0.140 0.000 0.682 157 A CB 1.122 20.086 19.000 -0.060 0.000 1.278 157 A HN 0.680 nan 8.150 nan 0.000 0.410 158 T N -1.458 113.027 114.554 -0.115 0.000 2.936 158 T HA 0.457 4.807 4.350 -0.000 0.000 0.282 158 T C 0.928 175.581 174.700 -0.078 0.000 1.003 158 T CA 0.029 62.074 62.100 -0.092 0.000 1.005 158 T CB 1.251 70.065 68.868 -0.089 0.000 1.097 158 T HN 0.964 nan 8.240 nan 0.000 0.532 159 K N 0.201 120.550 120.400 -0.085 0.000 2.442 159 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 159 K C 0.698 177.197 176.600 -0.167 0.000 1.044 159 K CA 1.221 57.418 56.287 -0.151 0.000 0.948 159 K CB -0.166 32.089 32.500 -0.409 0.000 0.762 159 K HN 0.503 nan 8.250 nan 0.000 0.472 160 D N 1.064 121.382 120.400 -0.138 0.000 2.249 160 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 160 D C 1.876 178.125 176.300 -0.085 0.000 0.962 160 D CA 0.899 54.828 54.000 -0.118 0.000 0.860 160 D CB 0.242 40.982 40.800 -0.100 0.000 0.955 160 D HN 0.498 nan 8.370 nan 0.000 0.505 161 Q N 0.531 120.287 119.800 -0.073 0.000 2.042 161 Q HA -0.009 4.331 4.340 -0.000 0.000 0.194 161 Q C 0.464 176.429 176.000 -0.058 0.000 0.978 161 Q CA 0.426 56.206 55.803 -0.039 0.000 0.828 161 Q CB 0.481 29.197 28.738 -0.038 0.000 0.901 161 Q HN -0.098 nan 8.270 nan 0.000 0.461 162 V N 3.318 123.111 119.914 -0.201 0.000 2.266 162 V HA 0.100 4.220 4.120 -0.000 0.000 0.240 162 V C -0.301 175.726 176.094 -0.112 0.000 1.225 162 V CA 0.059 62.112 62.300 -0.411 0.000 1.237 162 V CB -0.701 30.970 31.823 -0.253 0.000 1.343 162 V HN 0.301 nan 8.190 nan 0.000 0.496 163 N N 3.353 122.051 118.700 -0.003 0.000 2.425 163 N HA 0.567 5.307 4.740 -0.000 0.000 0.289 163 N C -0.498 175.009 175.510 -0.005 0.000 1.074 163 N CA 0.609 53.641 53.050 -0.030 0.000 0.905 163 N CB 2.257 40.689 38.487 -0.091 0.000 1.586 163 N HN 0.756 nan 8.380 nan 0.000 0.490 164 G N 1.492 110.261 108.800 -0.052 0.000 3.067 164 G HA2 0.150 4.110 3.960 -0.000 0.000 0.686 164 G HA3 0.150 4.110 3.960 -0.000 0.000 0.686 164 G C 0.652 175.536 174.900 -0.027 0.000 1.119 164 G CA -0.071 44.983 45.100 -0.077 0.000 0.790 164 G HN 0.835 nan 8.290 nan 0.000 0.605 165 A N 1.429 124.172 122.820 -0.128 0.000 1.978 165 A HA 0.096 4.416 4.320 -0.000 0.000 0.220 165 A C 1.694 179.115 177.584 -0.272 0.000 1.170 165 A CA 2.384 54.254 52.037 -0.278 0.000 0.636 165 A CB -0.291 18.387 19.000 -0.537 0.000 0.810 165 A HN 1.166 nan 8.150 nan 0.000 0.448 166 Y N 0.489 120.878 120.300 0.149 0.000 2.458 166 Y HA 0.116 4.666 4.550 -0.000 0.000 0.256 166 Y C 1.065 177.005 175.900 0.066 0.000 1.159 166 Y CA 0.211 58.397 58.100 0.143 0.000 1.261 166 Y CB -0.046 38.567 38.460 0.255 0.000 1.119 166 Y HN 0.243 nan 8.280 nan 0.000 0.524 167 T N -0.042 114.590 114.554 0.130 0.000 2.834 167 T HA 0.165 4.515 4.350 -0.000 0.000 0.298 167 T C -0.008 174.466 174.700 -0.377 0.000 0.966 167 T CA -0.784 61.278 62.100 -0.063 0.000 1.141 167 T CB 1.306 70.168 68.868 -0.010 0.000 0.905 167 T HN 0.207 nan 8.240 nan 0.000 0.535 168 R N 2.462 122.717 120.500 -0.408 0.000 2.441 168 R HA 0.238 4.578 4.340 -0.000 0.000 0.284 168 R C -0.530 175.248 176.300 -0.871 0.000 1.070 168 R CA -0.567 55.252 56.100 -0.468 0.000 1.047 168 R CB 0.406 30.595 30.300 -0.185 0.000 1.016 168 R HN 0.774 nan 8.270 nan 0.000 0.477 169 H N 1.926 120.735 119.070 -0.435 0.000 2.679 169 H HA 0.190 4.746 4.556 -0.000 0.000 0.360 169 H C -1.202 173.976 175.328 -0.251 0.000 1.105 169 H CA -0.796 54.990 56.048 -0.436 0.000 1.196 169 H CB 2.237 31.552 29.762 -0.746 0.000 1.636 169 H HN 0.547 nan 8.280 nan 0.000 0.531 170 D N 3.762 124.193 120.400 0.052 0.000 2.378 170 D HA 0.227 4.867 4.640 -0.000 0.000 0.265 170 D C -0.944 175.490 176.300 0.223 0.000 1.229 170 D CA -0.375 53.707 54.000 0.136 0.000 0.914 170 D CB 0.213 41.058 40.800 0.076 0.000 1.140 170 D HN 0.363 nan 8.370 nan 0.000 0.516 171 L N 2.309 123.702 121.223 0.283 0.000 2.265 171 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 171 L C 0.282 177.264 176.870 0.187 0.000 1.033 171 L CA -0.921 54.054 54.840 0.226 0.000 0.814 171 L CB 1.433 43.627 42.059 0.224 0.000 1.203 171 L HN 0.230 nan 8.230 nan 0.000 0.423 172 D N 4.651 125.106 120.400 0.092 0.000 2.344 172 D HA 0.114 4.754 4.640 -0.000 0.000 0.253 172 D C 0.710 176.901 176.300 -0.182 0.000 1.255 172 D CA -0.060 53.812 54.000 -0.214 0.000 0.894 172 D CB 0.871 41.580 40.800 -0.152 0.000 1.067 172 D HN 0.508 nan 8.370 nan 0.000 0.492 173 I N 0.529 120.968 120.570 -0.219 0.000 3.891 173 I HA 0.123 4.293 4.170 -0.000 0.000 0.331 173 I C 1.244 177.275 176.117 -0.143 0.000 1.406 173 I CA -0.503 60.722 61.300 -0.126 0.000 1.139 173 I CB 0.208 38.172 38.000 -0.060 0.000 1.056 173 I HN -0.009 nan 8.210 nan 0.000 0.399 174 T N 1.849 116.276 114.554 -0.211 0.000 2.665 174 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 174 T C 2.146 176.797 174.700 -0.082 0.000 1.035 174 T CA 2.145 64.153 62.100 -0.153 0.000 1.151 174 T CB -0.228 68.540 68.868 -0.167 0.000 0.862 174 T HN 0.637 nan 8.240 nan 0.000 0.438 175 A N 0.786 123.564 122.820 -0.070 0.000 2.076 175 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 175 A C 2.187 179.760 177.584 -0.020 0.000 1.160 175 A CA 1.503 53.519 52.037 -0.035 0.000 0.653 175 A CB -0.469 18.512 19.000 -0.032 0.000 0.801 175 A HN 0.451 nan 8.150 nan 0.000 0.455 176 Q N -1.270 118.510 119.800 -0.034 0.000 2.391 176 Q HA 0.241 4.581 4.340 -0.000 0.000 0.211 176 Q C 0.215 176.192 176.000 -0.039 0.000 0.908 176 Q CA 0.235 56.027 55.803 -0.017 0.000 0.920 176 Q CB 0.288 29.012 28.738 -0.023 0.000 1.056 176 Q HN 0.354 nan 8.270 nan 0.000 0.523 177 V N 2.994 122.865 119.914 -0.072 0.000 2.546 177 V HA 0.164 4.284 4.120 -0.000 0.000 0.284 177 V C 0.060 176.109 176.094 -0.074 0.000 1.050 177 V CA -0.455 61.760 62.300 -0.141 0.000 0.981 177 V CB 0.616 32.373 31.823 -0.109 0.000 0.990 177 V HN 0.398 nan 8.190 nan 0.000 0.474 178 H N 1.458 120.535 119.070 0.011 0.000 2.797 178 H HA 0.663 5.219 4.556 -0.000 0.000 0.362 178 H C 0.064 175.401 175.328 0.015 0.000 1.183 178 H CA -0.584 55.471 56.048 0.011 0.000 1.197 178 H CB 1.632 31.401 29.762 0.011 0.000 1.835 178 H HN 0.640 nan 8.280 nan 0.000 0.567 179 T N 0.261 114.946 114.554 0.219 0.000 2.908 179 T HA 0.404 4.754 4.350 -0.000 0.000 0.301 179 T C 1.179 176.012 174.700 0.222 0.000 1.019 179 T CA 1.275 63.465 62.100 0.150 0.000 1.152 179 T CB -0.598 nan 68.868 nan 0.000 0.966 179 T HN 1.089 nan 8.240 nan 0.000 0.540 180 G N 1.415 110.299 108.800 0.140 0.000 2.516 180 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 180 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 180 G C -0.164 174.807 174.900 0.118 0.000 1.165 180 G CA -0.203 44.974 45.100 0.128 0.000 1.013 180 G HN 1.411 nan 8.290 nan 0.000 0.590 181 V N 3.335 123.336 119.914 0.145 0.000 2.415 181 V HA 0.338 4.458 4.120 -0.000 0.000 0.267 181 V C 0.566 176.742 176.094 0.137 0.000 1.042 181 V CA -0.048 62.320 62.300 0.114 0.000 1.000 181 V CB 0.414 32.294 31.823 0.095 0.000 1.015 181 V HN 0.572 nan 8.190 nan 0.000 0.478 182 N N 2.876 121.582 118.700 0.009 0.000 2.432 182 N HA 0.603 5.342 4.740 -0.000 0.000 0.292 182 N C -0.871 174.641 175.510 0.004 0.000 1.193 182 N CA -0.598 52.409 53.050 -0.072 0.000 0.878 182 N CB 2.187 40.556 38.487 -0.197 0.000 1.252 182 N HN 0.547 nan 8.380 nan 0.000 0.520 183 S N 0.477 116.183 115.700 0.011 0.000 2.538 183 S HA 0.513 4.983 4.470 -0.000 0.000 0.288 183 S C -0.627 174.002 174.600 0.049 0.000 1.108 183 S CA -0.669 57.553 58.200 0.038 0.000 0.971 183 S CB 2.011 65.230 63.200 0.031 0.000 1.041 183 S HN 0.243 nan 8.310 nan 0.000 0.483 184 V N 1.599 121.566 119.914 0.089 0.000 2.680 184 V HA 0.949 5.069 4.120 -0.000 0.000 0.309 184 V C -0.341 175.851 176.094 0.165 0.000 1.052 184 V CA -0.634 61.719 62.300 0.088 0.000 0.908 184 V CB 1.688 33.567 31.823 0.093 0.000 1.001 184 V HN 1.044 nan 8.190 nan 0.000 0.431 185 A N 3.697 126.592 122.820 0.125 0.000 2.427 185 A HA 0.880 5.200 4.320 -0.000 0.000 0.298 185 A C -1.388 176.314 177.584 0.197 0.000 1.036 185 A CA -0.378 51.858 52.037 0.331 0.000 0.701 185 A CB 1.070 20.307 19.000 0.394 0.000 1.250 185 A HN 0.600 nan 8.150 nan 0.000 0.412 186 F N 1.741 121.864 119.950 0.289 0.000 2.436 186 F HA 0.470 4.997 4.527 -0.000 0.000 0.340 186 F C 0.777 176.456 175.800 -0.201 0.000 1.113 186 F CA -0.368 57.660 58.000 0.046 0.000 1.022 186 F CB 2.014 40.948 39.000 -0.109 0.000 1.128 186 F HN 0.486 nan 8.300 nan 0.000 0.466 187 K N 4.236 124.410 120.400 -0.377 0.000 2.299 187 K HA 0.428 4.748 4.320 -0.000 0.000 0.268 187 K C -1.322 175.010 176.600 -0.447 0.000 1.075 187 K CA -0.284 55.423 56.287 -0.966 0.000 0.936 187 K CB 0.806 32.531 32.500 -1.292 0.000 1.228 187 K HN 0.498 nan 8.250 nan 0.000 0.454 188 V N 5.951 125.690 119.914 -0.291 0.000 2.406 188 V HA 0.187 4.307 4.120 -0.000 0.000 0.272 188 V C -0.301 175.702 176.094 -0.151 0.000 1.043 188 V CA -0.756 61.478 62.300 -0.110 0.000 0.915 188 V CB 0.001 31.793 31.823 -0.052 0.000 0.988 188 V HN 0.533 nan 8.190 nan 0.000 0.466 189 Y N 5.687 125.973 120.300 -0.022 0.000 2.304 189 Y HA 0.310 4.860 4.550 -0.000 0.000 0.327 189 Y C -1.723 174.189 175.900 0.020 0.000 1.209 189 Y CA -2.054 56.047 58.100 0.003 0.000 1.299 189 Y CB 0.445 38.892 38.460 -0.023 0.000 1.249 189 Y HN 0.466 nan 8.280 nan 0.000 0.519 190 P HA -0.106 nan 4.420 nan 0.000 0.267 190 P C -0.838 176.507 177.300 0.074 0.000 1.201 190 P CA 0.228 63.403 63.100 0.124 0.000 0.775 190 P CB 0.480 32.260 31.700 0.134 0.000 0.854 191 N N 1.624 120.344 118.700 0.032 0.000 2.400 191 N HA 0.268 5.008 4.740 -0.000 0.000 0.288 191 N C -1.530 173.971 175.510 -0.015 0.000 1.024 191 N CA -0.342 52.703 53.050 -0.008 0.000 0.894 191 N CB 0.529 39.001 38.487 -0.025 0.000 1.173 191 N HN 0.157 nan 8.380 nan 0.000 0.487 192 D N 3.953 124.328 120.400 -0.041 0.000 2.469 192 D HA 0.341 4.981 4.640 -0.000 0.000 0.251 192 D C -2.048 174.205 176.300 -0.078 0.000 1.173 192 D CA -2.095 51.879 54.000 -0.045 0.000 0.882 192 D CB 2.022 42.799 40.800 -0.039 0.000 1.129 192 D HN 0.353 nan 8.370 nan 0.000 0.549 193 P HA -0.039 nan 4.420 nan 0.000 0.230 193 P C 0.446 177.693 177.300 -0.089 0.000 1.158 193 P CA 0.746 63.791 63.100 -0.092 0.000 0.769 193 P CB 0.389 32.035 31.700 -0.091 0.000 0.807 194 N N -0.430 118.227 118.700 -0.072 0.000 2.416 194 N HA -0.019 4.721 4.740 -0.000 0.000 0.177 194 N C 2.026 177.473 175.510 -0.105 0.000 1.036 194 N CA 0.167 53.177 53.050 -0.066 0.000 0.901 194 N CB -0.066 38.398 38.487 -0.038 0.000 0.976 194 N HN 0.100 nan 8.380 nan 0.000 0.444 195 R N 0.316 120.736 120.500 -0.133 0.000 2.287 195 R HA 0.115 4.455 4.340 -0.000 0.000 0.197 195 R C -0.791 175.353 176.300 -0.260 0.000 0.900 195 R CA 0.280 56.279 56.100 -0.170 0.000 1.052 195 R CB 0.622 30.848 30.300 -0.123 0.000 1.117 195 R HN 0.025 nan 8.270 nan 0.000 0.568 196 D N 1.494 121.740 120.400 -0.256 0.000 2.192 196 D HA 0.189 4.829 4.640 -0.000 0.000 0.246 196 D C -0.542 175.484 176.300 -0.456 0.000 1.042 196 D CA -0.397 53.413 54.000 -0.315 0.000 0.847 196 D CB 2.177 42.852 40.800 -0.209 0.000 1.186 196 D HN 0.104 nan 8.370 nan 0.000 0.461 197 L N 2.129 122.972 121.223 -0.633 0.000 2.448 197 L HA 0.138 4.478 4.340 -0.000 0.000 0.278 197 L C 0.912 177.534 176.870 -0.412 0.000 1.201 197 L CA 0.348 54.587 54.840 -1.001 0.000 1.036 197 L CB -0.128 41.146 42.059 -1.307 0.000 1.325 197 L HN 0.238 nan 8.230 nan 0.000 0.441 198 S N 2.403 118.042 115.700 -0.101 0.000 4.140 198 S HA 0.677 5.147 4.470 -0.000 0.000 0.286 198 S C -1.030 173.610 174.600 0.066 0.000 1.074 198 S CA -0.586 57.593 58.200 -0.035 0.000 1.289 198 S CB 1.083 64.202 63.200 -0.136 0.000 1.584 198 S HN 0.401 nan 8.310 nan 0.000 0.675 199 M N 0.867 120.382 119.600 -0.143 0.000 2.386 199 M HA 0.625 5.105 4.480 -0.000 0.000 0.293 199 M C -0.400 175.656 176.300 -0.407 0.000 1.120 199 M CA -0.567 54.522 55.300 -0.353 0.000 0.909 199 M CB 2.206 34.545 32.600 -0.435 0.000 1.661 199 M HN 0.743 nan 8.290 nan 0.000 0.452 200 G N 0.611 109.083 108.800 -0.546 0.000 2.694 200 G HA2 0.605 4.565 3.960 -0.000 0.000 0.290 200 G HA3 0.605 4.565 3.960 -0.000 0.000 0.290 200 G C -1.660 172.857 174.900 -0.639 0.000 1.386 200 G CA -0.538 44.274 45.100 -0.480 0.000 0.872 200 G HN 0.924 nan 8.290 nan 0.000 0.475 201 W N 0.941 122.144 121.300 -0.162 0.000 3.223 201 W HA 0.398 5.058 4.660 -0.000 0.000 0.389 201 W C 1.437 177.687 176.519 -0.447 0.000 1.118 201 W CA -0.409 56.731 57.345 -0.341 0.000 1.902 201 W CB -0.665 28.646 29.460 -0.248 0.000 1.094 201 W HN 0.533 nan 8.180 nan 0.000 0.666 202 I N 0.891 121.338 120.570 -0.205 0.000 4.907 202 I HA -0.499 3.671 4.170 -0.000 0.000 0.038 202 I C 1.325 177.490 176.117 0.080 0.000 0.635 202 I CA 2.071 63.308 61.300 -0.105 0.000 0.210 202 I CB -0.872 36.999 38.000 -0.215 0.000 0.322 202 I HN 0.082 nan 8.210 nan 0.000 0.151 203 D N -1.061 119.502 120.400 0.273 0.000 2.623 203 D HA 0.113 4.753 4.640 -0.000 0.000 0.252 203 D C 0.769 177.455 176.300 0.644 0.000 1.294 203 D CA -0.313 53.953 54.000 0.444 0.000 0.824 203 D CB -0.299 40.840 40.800 0.566 0.000 1.070 203 D HN 0.536 nan 8.370 nan 0.000 0.487 204 W N 1.607 123.124 121.300 0.361 0.000 2.436 204 W HA 0.499 5.158 4.660 -0.000 0.000 0.284 204 W C 1.284 177.914 176.519 0.185 0.000 1.225 204 W CA 0.608 58.158 57.345 0.342 0.000 1.271 204 W CB -0.433 29.176 29.460 0.248 0.000 1.114 204 W HN 0.278 nan 8.180 nan 0.000 0.559 205 A N -1.570 121.359 122.820 0.181 0.000 3.082 205 A HA 0.566 4.886 4.320 -0.000 0.000 0.167 205 A C -0.617 176.743 177.584 -0.374 0.000 1.017 205 A CA -0.244 51.665 52.037 -0.213 0.000 1.746 205 A CB 0.678 19.150 19.000 -0.881 0.000 2.374 205 A HN -0.148 nan 8.150 nan 0.000 0.935 206 Q N -0.098 119.240 119.800 -0.771 0.000 2.418 206 Q HA 0.441 4.781 4.340 -0.000 0.000 0.282 206 Q C -1.620 174.074 176.000 -0.509 0.000 1.044 206 Q CA -0.436 55.014 55.803 -0.588 0.000 0.813 206 Q CB 1.691 29.934 28.738 -0.825 0.000 1.428 206 Q HN 0.627 nan 8.270 nan 0.000 0.402 207 T N 3.064 117.475 114.554 -0.240 0.000 2.799 207 T HA 0.273 4.623 4.350 -0.000 0.000 0.296 207 T C -2.336 172.270 174.700 -0.156 0.000 0.947 207 T CA -0.923 61.099 62.100 -0.131 0.000 1.141 207 T CB 0.039 68.887 68.868 -0.033 0.000 0.891 207 T HN 0.144 nan 8.240 nan 0.000 0.533 208 P HA 0.103 nan 4.420 nan 0.000 0.262 208 P C -1.843 175.313 177.300 -0.239 0.000 1.182 208 P CA -1.264 61.796 63.100 -0.066 0.000 0.761 208 P CB 0.092 31.860 31.700 0.114 0.000 0.795 209 P HA -0.209 nan 4.420 nan 0.000 0.217 209 P C 0.726 177.721 177.300 -0.508 0.000 1.148 209 P CA 1.654 64.460 63.100 -0.490 0.000 0.834 209 P CB -0.104 31.130 31.700 -0.777 0.000 0.783 210 D N -1.911 117.988 120.400 -0.836 0.000 2.363 210 D HA -0.039 4.601 4.640 -0.000 0.000 0.214 210 D C 0.186 176.301 176.300 -0.309 0.000 1.093 210 D CA -0.073 53.392 54.000 -0.890 0.000 0.837 210 D CB -0.918 39.068 40.800 -1.357 0.000 0.948 210 D HN 0.114 nan 8.370 nan 0.000 0.507 211 Q N 0.687 120.388 119.800 -0.166 0.000 2.416 211 Q HA -0.255 4.085 4.340 -0.000 0.000 0.319 211 Q C -0.483 175.529 176.000 0.020 0.000 1.318 211 Q CA 0.673 56.468 55.803 -0.014 0.000 0.915 211 Q CB -1.607 27.129 28.738 -0.003 0.000 1.184 211 Q HN 0.367 nan 8.270 nan 0.000 0.444 212 N N -2.121 116.603 118.700 0.039 0.000 2.753 212 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 212 N C 0.394 175.905 175.510 0.002 0.000 1.097 212 N CA 1.823 54.926 53.050 0.088 0.000 0.786 212 N CB -1.678 36.922 38.487 0.188 0.000 1.137 212 N HN 0.717 nan 8.380 nan 0.000 0.566 213 M N -1.066 118.498 119.600 -0.059 0.000 2.251 213 M HA 0.410 4.890 4.480 -0.000 0.000 0.343 213 M C 1.000 177.271 176.300 -0.048 0.000 1.245 213 M CA 1.135 56.403 55.300 -0.053 0.000 1.061 213 M CB 0.810 33.388 32.600 -0.037 0.000 1.723 213 M HN 0.241 nan 8.290 nan 0.000 0.449 214 G N 3.415 112.156 108.800 -0.098 0.000 2.334 214 G HA2 0.247 4.206 3.960 -0.000 0.000 0.249 214 G HA3 0.247 4.206 3.960 -0.000 0.000 0.249 214 G C -1.563 173.087 174.900 -0.416 0.000 1.327 214 G CA -0.876 44.079 45.100 -0.240 0.000 0.979 214 G HN 0.864 nan 8.290 nan 0.000 0.471 215 I N 1.853 122.117 120.570 -0.511 0.000 2.493 215 I HA 0.335 4.505 4.170 -0.000 0.000 0.279 215 I C 1.029 177.035 176.117 -0.186 0.000 1.045 215 I CA -0.766 60.268 61.300 -0.443 0.000 1.106 215 I CB 1.820 39.351 38.000 -0.782 0.000 1.216 215 I HN 0.669 nan 8.210 nan 0.000 0.459 216 V N 2.062 121.924 119.914 -0.088 0.000 3.647 216 V HA 0.401 4.520 4.120 -0.000 0.000 0.279 216 V C 0.756 176.852 176.094 0.004 0.000 1.314 216 V CA 0.318 62.621 62.300 0.004 0.000 1.125 216 V CB -0.495 31.348 31.823 0.034 0.000 0.907 216 V HN 0.682 nan 8.190 nan 0.000 0.434 217 R N -0.226 120.266 120.500 -0.014 0.000 2.905 217 R HA 0.532 4.872 4.340 -0.000 0.000 0.260 217 R C -1.154 175.165 176.300 0.032 0.000 1.086 217 R CA -0.980 55.111 56.100 -0.015 0.000 0.978 217 R CB 0.793 31.096 30.300 0.006 0.000 1.215 217 R HN 0.155 nan 8.270 nan 0.000 0.480 218 D N 0.601 121.032 120.400 0.050 0.000 2.372 218 D HA 0.161 4.801 4.640 -0.000 0.000 0.243 218 D C -0.585 175.812 176.300 0.162 0.000 1.121 218 D CA 0.043 54.108 54.000 0.109 0.000 0.898 218 D CB 1.208 42.067 40.800 0.100 0.000 1.202 218 D HN -0.004 nan 8.370 nan 0.000 0.428 219 V N 3.029 123.053 119.914 0.185 0.000 2.370 219 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 219 V C 0.272 176.512 176.094 0.243 0.000 1.029 219 V CA -0.676 61.770 62.300 0.242 0.000 0.870 219 V CB 1.046 32.975 31.823 0.177 0.000 0.984 219 V HN 0.280 nan 8.190 nan 0.000 0.451 220 L N 5.277 126.663 121.223 0.271 0.000 2.307 220 L HA 0.548 4.888 4.340 -0.000 0.000 0.282 220 L C -0.372 176.636 176.870 0.230 0.000 1.051 220 L CA -0.780 54.187 54.840 0.213 0.000 0.804 220 L CB 1.863 44.032 42.059 0.183 0.000 1.197 220 L HN 0.331 nan 8.230 nan 0.000 0.431 221 V N 4.154 124.179 119.914 0.185 0.000 2.364 221 V HA 0.349 4.469 4.120 -0.000 0.000 0.272 221 V C 0.254 176.451 176.094 0.173 0.000 1.036 221 V CA -0.520 61.889 62.300 0.181 0.000 0.880 221 V CB 0.931 32.838 31.823 0.139 0.000 0.991 221 V HN 0.694 nan 8.190 nan 0.000 0.460 222 R N 4.991 125.621 120.500 0.217 0.000 2.474 222 R HA 0.694 5.034 4.340 -0.000 0.000 0.295 222 R C -0.711 175.738 176.300 0.250 0.000 0.980 222 R CA -0.921 55.301 56.100 0.203 0.000 0.934 222 R CB 1.658 32.059 30.300 0.168 0.000 1.101 222 R HN 0.496 nan 8.270 nan 0.000 0.469 223 R N 1.201 121.810 120.500 0.182 0.000 2.561 223 R HA 0.432 4.772 4.340 -0.000 0.000 0.297 223 R C -0.635 175.755 176.300 0.151 0.000 0.969 223 R CA -0.630 55.577 56.100 0.179 0.000 0.879 223 R CB 1.925 32.296 30.300 0.118 0.000 1.178 223 R HN 0.935 nan 8.270 nan 0.000 0.445 224 S N -0.514 115.296 115.700 0.185 0.000 2.705 224 S HA 0.758 5.228 4.470 -0.000 0.000 0.280 224 S C 0.148 174.831 174.600 0.139 0.000 1.174 224 S CA -0.473 57.803 58.200 0.127 0.000 0.823 224 S CB 1.940 65.186 63.200 0.077 0.000 1.162 224 S HN 0.542 nan 8.310 nan 0.000 0.487 225 G N 0.199 109.059 108.800 0.100 0.000 2.666 225 G HA2 0.544 4.504 3.960 -0.000 0.000 0.207 225 G HA3 0.544 4.504 3.960 -0.000 0.000 0.207 225 G C 1.255 176.216 174.900 0.101 0.000 1.481 225 G CA -0.191 44.962 45.100 0.089 0.000 1.071 225 G HN 1.319 nan 8.290 nan 0.000 0.572 226 A N -1.478 121.387 122.820 0.076 0.000 1.948 226 A HA 0.151 4.471 4.320 -0.000 0.000 0.220 226 A C 1.086 178.718 177.584 0.080 0.000 1.177 226 A CA 1.319 53.400 52.037 0.074 0.000 0.636 226 A CB -0.589 18.442 19.000 0.052 0.000 0.815 226 A HN 0.439 nan 8.150 nan 0.000 0.449 227 V N -0.234 119.718 119.914 0.063 0.000 2.427 227 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 227 V C 0.314 176.424 176.094 0.027 0.000 1.034 227 V CA -0.386 61.942 62.300 0.046 0.000 0.893 227 V CB 1.111 32.954 31.823 0.032 0.000 0.982 227 V HN 0.515 nan 8.190 nan 0.000 0.452 228 A N 5.054 127.871 122.820 -0.007 0.000 2.301 228 A HA 0.782 5.101 4.320 -0.000 0.000 0.312 228 A C -0.859 176.689 177.584 -0.061 0.000 1.182 228 A CA -0.447 51.532 52.037 -0.097 0.000 0.826 228 A CB 0.908 19.760 19.000 -0.246 0.000 1.134 228 A HN 0.757 nan 8.150 nan 0.000 0.501 229 L N 2.296 123.485 121.223 -0.055 0.000 2.295 229 L HA 0.810 5.149 4.340 -0.000 0.000 0.285 229 L C -0.002 176.856 176.870 -0.022 0.000 1.035 229 L CA 0.083 54.914 54.840 -0.015 0.000 0.806 229 L CB 1.033 43.099 42.059 0.011 0.000 1.214 229 L HN 0.833 nan 8.230 nan 0.000 0.426 230 R N 2.111 122.616 120.500 0.007 0.000 2.739 230 R HA 0.473 4.813 4.340 -0.000 0.000 0.271 230 R C -0.244 176.091 176.300 0.059 0.000 1.010 230 R CA -0.052 56.058 56.100 0.016 0.000 0.897 230 R CB 1.924 32.222 30.300 -0.003 0.000 1.236 230 R HN 0.651 nan 8.270 nan 0.000 0.466 231 S N 0.541 116.277 115.700 0.060 0.000 3.628 231 S HA -0.204 4.266 4.470 -0.000 0.000 0.373 231 S C -0.606 174.106 174.600 0.185 0.000 0.968 231 S CA 0.448 58.700 58.200 0.086 0.000 1.215 231 S CB -0.988 62.276 63.200 0.105 0.000 0.912 231 S HN 0.735 nan 8.310 nan 0.000 0.495 232 A N 3.270 126.173 122.820 0.138 0.000 2.366 232 A HA 0.662 4.982 4.320 -0.000 0.000 0.272 232 A C 0.183 177.871 177.584 0.173 0.000 1.135 232 A CA 0.310 52.426 52.037 0.132 0.000 0.804 232 A CB 0.363 19.398 19.000 0.058 0.000 1.064 232 A HN 1.106 nan 8.150 nan 0.000 0.499 233 H N -0.946 118.089 119.070 -0.058 0.000 2.948 233 H HA 0.632 5.188 4.556 -0.000 0.000 0.315 233 H C -2.091 173.124 175.328 -0.189 0.000 1.360 233 H CA -1.149 54.832 56.048 -0.112 0.000 1.125 233 H CB 0.790 30.491 29.762 -0.101 0.000 1.844 233 H HN 0.459 nan 8.280 nan 0.000 0.529 234 V N 2.220 121.959 119.914 -0.292 0.000 2.443 234 V HA 0.283 4.403 4.120 -0.000 0.000 0.293 234 V C 0.612 176.493 176.094 -0.354 0.000 1.021 234 V CA -0.699 61.292 62.300 -0.514 0.000 0.848 234 V CB 1.088 32.282 31.823 -1.048 0.000 0.998 234 V HN 0.547 nan 8.190 nan 0.000 0.424 235 I N 4.858 125.263 120.570 -0.275 0.000 2.533 235 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 235 I C 0.347 176.331 176.117 -0.223 0.000 1.109 235 I CA 0.517 61.713 61.300 -0.174 0.000 1.412 235 I CB 0.481 38.415 38.000 -0.110 0.000 1.396 235 I HN 0.629 nan 8.210 nan 0.000 0.543 236 Q N 7.658 127.353 119.800 -0.175 0.000 2.310 236 Q HA 0.420 4.760 4.340 -0.000 0.000 0.270 236 Q C -1.576 174.366 176.000 -0.096 0.000 1.025 236 Q CA -0.944 54.769 55.803 -0.151 0.000 0.772 236 Q CB 2.021 30.697 28.738 -0.104 0.000 1.253 236 Q HN 0.556 nan 8.270 nan 0.000 0.450 237 K N 3.676 124.021 120.400 -0.092 0.000 2.463 237 K HA 0.471 4.791 4.320 -0.000 0.000 0.255 237 K C -1.519 175.041 176.600 -0.067 0.000 0.942 237 K CA -0.552 55.694 56.287 -0.068 0.000 0.814 237 K CB 1.242 33.709 32.500 -0.056 0.000 1.122 237 K HN 0.530 nan 8.250 nan 0.000 0.425 238 L N 4.439 125.636 121.223 -0.042 0.000 2.317 238 L HA 0.501 4.840 4.340 -0.000 0.000 0.281 238 L C -0.598 176.273 176.870 0.001 0.000 1.024 238 L CA -0.414 54.408 54.840 -0.030 0.000 0.810 238 L CB 1.201 43.244 42.059 -0.026 0.000 1.240 238 L HN 0.832 nan 8.230 nan 0.000 0.427 239 N N 1.345 120.064 118.700 0.032 0.000 2.424 239 N HA 0.044 4.783 4.740 -0.000 0.000 0.257 239 N C 0.720 176.259 175.510 0.048 0.000 1.250 239 N CA 0.263 53.347 53.050 0.056 0.000 0.946 239 N CB 0.582 39.128 38.487 0.098 0.000 1.175 239 N HN 0.638 nan 8.380 nan 0.000 0.477 240 S N -0.558 115.171 115.700 0.048 0.000 2.423 240 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 240 S C 1.765 176.405 174.600 0.066 0.000 1.014 240 S CA 0.578 58.808 58.200 0.050 0.000 0.965 240 S CB -0.710 62.517 63.200 0.046 0.000 0.785 240 S HN 0.773 nan 8.310 nan 0.000 0.495 241 A N 1.733 124.594 122.820 0.069 0.000 2.067 241 A HA 0.322 4.642 4.320 -0.000 0.000 0.219 241 A C 1.425 179.068 177.584 0.098 0.000 1.158 241 A CA 1.075 53.160 52.037 0.080 0.000 0.661 241 A CB -0.808 18.235 19.000 0.073 0.000 0.801 241 A HN 0.896 nan 8.150 nan 0.000 0.452 242 L N -1.706 119.571 121.223 0.089 0.000 4.140 242 L HA -0.222 4.118 4.340 -0.000 0.000 0.406 242 L C 0.402 177.335 176.870 0.105 0.000 1.175 242 L CA 0.606 55.500 54.840 0.090 0.000 0.939 242 L CB -2.198 39.936 42.059 0.125 0.000 2.105 242 L HN 0.693 nan 8.230 nan 0.000 0.803 243 D N -2.154 118.310 120.400 0.108 0.000 2.520 243 D HA 0.140 4.780 4.640 -0.000 0.000 0.223 243 D C 0.400 176.795 176.300 0.159 0.000 1.186 243 D CA 0.236 54.306 54.000 0.117 0.000 0.821 243 D CB 0.201 41.063 40.800 0.102 0.000 1.072 243 D HN 0.535 nan 8.370 nan 0.000 0.518 244 H N 0.336 119.427 119.070 0.035 0.000 2.679 244 H HA 0.746 5.302 4.556 -0.000 0.000 0.360 244 H C -1.537 173.801 175.328 0.018 0.000 1.105 244 H CA -0.502 55.560 56.048 0.023 0.000 1.196 244 H CB 1.965 31.736 29.762 0.015 0.000 1.636 244 H HN 0.117 nan 8.280 nan 0.000 0.531 245 A N 4.038 126.523 122.820 -0.558 0.000 2.401 245 A HA 0.487 4.807 4.320 -0.000 0.000 0.310 245 A C -1.135 176.093 177.584 -0.592 0.000 1.075 245 A CA -0.828 50.967 52.037 -0.403 0.000 0.746 245 A CB 1.220 20.106 19.000 -0.190 0.000 1.277 245 A HN 0.785 nan 8.150 nan 0.000 0.425 246 D N 1.135 121.346 120.400 -0.315 0.000 2.256 246 D HA 0.528 5.168 4.640 -0.000 0.000 0.246 246 D C -1.375 174.826 176.300 -0.166 0.000 1.042 246 D CA -0.112 53.766 54.000 -0.203 0.000 0.841 246 D CB 2.053 42.805 40.800 -0.080 0.000 1.223 246 D HN 0.183 nan 8.370 nan 0.000 0.470 247 L N 1.886 123.011 121.223 -0.163 0.000 2.372 247 L HA 0.261 4.600 4.340 -0.000 0.000 0.273 247 L C -0.063 176.698 176.870 -0.182 0.000 0.989 247 L CA -0.413 54.297 54.840 -0.215 0.000 0.841 247 L CB 1.659 43.574 42.059 -0.240 0.000 1.225 247 L HN 0.195 nan 8.230 nan 0.000 0.414 248 T N 3.063 117.502 114.554 -0.192 0.000 2.853 248 T HA 0.450 4.800 4.350 -0.000 0.000 0.317 248 T C 0.103 174.681 174.700 -0.203 0.000 1.059 248 T CA -0.382 61.633 62.100 -0.142 0.000 0.954 248 T CB 0.922 69.731 68.868 -0.097 0.000 0.994 248 T HN 0.138 nan 8.240 nan 0.000 0.479 249 V N 4.863 124.681 119.914 -0.161 0.000 2.530 249 V HA 0.329 4.449 4.120 -0.000 0.000 0.282 249 V C 0.362 176.451 176.094 -0.007 0.000 1.048 249 V CA -0.193 61.985 62.300 -0.203 0.000 0.997 249 V CB 0.767 32.354 31.823 -0.392 0.000 0.987 249 V HN 0.694 nan 8.190 nan 0.000 0.477 250 K N 3.222 123.489 120.400 -0.222 0.000 2.378 250 K HA 0.848 5.168 4.320 -0.000 0.000 0.252 250 K C -0.864 175.701 176.600 -0.058 0.000 0.931 250 K CA -0.488 55.708 56.287 -0.153 0.000 0.794 250 K CB 2.372 34.666 32.500 -0.343 0.000 1.181 250 K HN 0.804 nan 8.250 nan 0.000 0.425 251 A N 2.522 125.400 122.820 0.096 0.000 2.488 251 A HA 0.439 4.759 4.320 -0.000 0.000 0.298 251 A C -1.639 176.002 177.584 0.095 0.000 1.044 251 A CA -0.891 51.221 52.037 0.124 0.000 0.693 251 A CB 1.173 20.274 19.000 0.169 0.000 1.272 251 A HN 0.617 nan 8.150 nan 0.000 0.402 252 D N 1.024 121.479 120.400 0.092 0.000 2.255 252 D HA 0.500 5.140 4.640 -0.000 0.000 0.249 252 D C -0.050 176.273 176.300 0.039 0.000 1.078 252 D CA 0.270 54.307 54.000 0.061 0.000 0.896 252 D CB 1.742 42.582 40.800 0.067 0.000 1.194 252 D HN 0.649 nan 8.370 nan 0.000 0.429 253 V N -0.006 119.921 119.914 0.022 0.000 2.588 253 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 253 V C -0.359 175.741 176.094 0.010 0.000 1.042 253 V CA -1.063 61.245 62.300 0.013 0.000 0.877 253 V CB 2.061 33.891 31.823 0.011 0.000 0.996 253 V HN 0.426 nan 8.190 nan 0.000 0.425 254 R N 3.093 123.599 120.500 0.009 0.000 2.451 254 R HA 0.413 4.753 4.340 -0.000 0.000 0.307 254 R C -0.716 175.604 176.300 0.033 0.000 0.965 254 R CA -0.527 55.585 56.100 0.018 0.000 0.865 254 R CB 1.235 31.546 30.300 0.018 0.000 1.174 254 R HN 0.900 nan 8.270 nan 0.000 0.455 255 N N 3.160 121.880 118.700 0.034 0.000 2.421 255 N HA -0.002 4.738 4.740 -0.000 0.000 0.260 255 N C -0.507 175.038 175.510 0.059 0.000 1.173 255 N CA 0.102 53.178 53.050 0.043 0.000 0.960 255 N CB 0.868 39.373 38.487 0.030 0.000 1.273 255 N HN 0.525 nan 8.380 nan 0.000 0.497 256 D N 0.097 120.551 120.400 0.089 0.000 2.340 256 D HA -0.035 4.605 4.640 -0.000 0.000 0.220 256 D C 0.568 176.913 176.300 0.074 0.000 1.039 256 D CA 0.250 54.314 54.000 0.106 0.000 0.866 256 D CB 0.119 41.038 40.800 0.198 0.000 0.913 256 D HN 0.589 nan 8.370 nan 0.000 0.523 257 S N -0.450 115.286 115.700 0.060 0.000 2.681 257 S HA 0.476 4.946 4.470 -0.000 0.000 0.270 257 S C 1.421 176.039 174.600 0.032 0.000 1.209 257 S CA -0.161 58.066 58.200 0.044 0.000 0.988 257 S CB 1.967 65.192 63.200 0.041 0.000 1.006 257 S HN -0.013 nan 8.310 nan 0.000 0.558 258 A N 1.016 123.851 122.820 0.024 0.000 2.066 258 A HA 0.170 4.489 4.320 -0.000 0.000 0.218 258 A C 0.473 178.067 177.584 0.017 0.000 1.157 258 A CA 0.517 52.566 52.037 0.018 0.000 0.670 258 A CB -1.043 17.966 19.000 0.015 0.000 0.804 258 A HN 0.876 nan 8.150 nan 0.000 0.453 259 N N -1.392 117.319 118.700 0.018 0.000 2.335 259 N HA 0.576 5.316 4.740 -0.000 0.000 0.304 259 N C -0.463 175.056 175.510 0.016 0.000 1.135 259 N CA -0.105 52.954 53.050 0.015 0.000 0.817 259 N CB 1.410 39.906 38.487 0.015 0.000 1.294 259 N HN 0.206 nan 8.380 nan 0.000 0.497 260 A N 0.524 123.351 122.820 0.012 0.000 2.540 260 A HA 0.397 4.717 4.320 -0.000 0.000 0.239 260 A C 0.274 177.865 177.584 0.012 0.000 1.061 260 A CA -0.143 51.901 52.037 0.010 0.000 0.758 260 A CB -0.395 18.609 19.000 0.007 0.000 0.991 260 A HN 0.586 nan 8.150 nan 0.000 0.502 261 V N 0.312 120.232 119.914 0.011 0.000 3.074 261 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 261 V C -0.427 175.671 176.094 0.007 0.000 1.117 261 V CA -0.944 61.363 62.300 0.012 0.000 1.014 261 V CB 1.651 33.484 31.823 0.017 0.000 1.057 261 V HN 0.893 nan 8.190 nan 0.000 0.438 262 Q N 0.675 120.479 119.800 0.007 0.000 2.256 262 Q HA 0.626 4.966 4.340 -0.000 0.000 0.257 262 Q C -0.880 175.124 176.000 0.006 0.000 0.936 262 Q CA -0.299 55.505 55.803 0.003 0.000 0.903 262 Q CB 1.976 30.715 28.738 0.002 0.000 1.263 262 Q HN 1.006 nan 8.270 nan 0.000 0.440 263 T N 1.081 115.636 114.554 0.002 0.000 2.893 263 T HA 0.444 4.794 4.350 -0.000 0.000 0.293 263 T C -1.110 173.593 174.700 0.005 0.000 1.027 263 T CA -0.346 61.759 62.100 0.008 0.000 0.988 263 T CB 1.512 70.388 68.868 0.013 0.000 1.043 263 T HN 0.431 nan 8.240 nan 0.000 0.461 264 T N 3.704 118.269 114.554 0.019 0.000 2.770 264 T HA 0.501 4.851 4.350 -0.000 0.000 0.283 264 T C -0.387 174.347 174.700 0.057 0.000 0.988 264 T CA -0.439 61.677 62.100 0.027 0.000 0.957 264 T CB 0.902 69.788 68.868 0.031 0.000 0.930 264 T HN 0.490 nan 8.240 nan 0.000 0.443 265 V N 3.278 123.239 119.914 0.079 0.000 2.348 265 V HA 0.778 4.898 4.120 -0.000 0.000 0.270 265 V C 0.275 176.540 176.094 0.286 0.000 1.037 265 V CA -0.596 61.811 62.300 0.178 0.000 0.872 265 V CB 0.318 32.280 31.823 0.232 0.000 1.002 265 V HN 1.062 nan 8.190 nan 0.000 0.464 266 A N 3.623 126.553 122.820 0.183 0.000 2.556 266 A HA 1.074 5.394 4.320 -0.000 0.000 0.294 266 A C 0.148 177.763 177.584 0.051 0.000 1.091 266 A CA 0.011 52.132 52.037 0.140 0.000 0.704 266 A CB 2.169 21.230 19.000 0.102 0.000 1.300 266 A HN 1.542 nan 8.150 nan 0.000 0.406 267 G N -0.703 108.100 108.800 0.004 0.000 2.439 267 G HA2 0.582 4.541 3.960 -0.000 0.000 0.186 267 G HA3 0.582 4.541 3.960 -0.000 0.000 0.186 267 G C -0.399 174.467 174.900 -0.057 0.000 1.260 267 G CA 0.651 45.737 45.100 -0.023 0.000 1.020 267 G HN 2.041 nan 8.290 nan 0.000 0.470 268 T N -2.586 111.932 114.554 -0.060 0.000 2.907 268 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 268 T C -1.222 173.440 174.700 -0.063 0.000 1.043 268 T CA -0.379 61.690 62.100 -0.051 0.000 1.003 268 T CB 2.020 70.887 68.868 -0.001 0.000 1.084 268 T HN 1.868 nan 8.240 nan 0.000 0.483 269 V N 1.910 121.789 119.914 -0.058 0.000 2.525 269 V HA 0.632 4.752 4.120 -0.000 0.000 0.299 269 V C 0.515 176.640 176.094 0.050 0.000 1.034 269 V CA 0.205 62.506 62.300 0.003 0.000 0.863 269 V CB 0.505 32.254 31.823 -0.123 0.000 0.999 269 V HN 2.117 nan 8.190 nan 0.000 0.423 270 A N 4.769 127.678 122.820 0.148 0.000 2.748 270 A HA -0.004 4.316 4.320 -0.000 0.000 0.297 270 A C 1.949 179.597 177.584 0.106 0.000 1.508 270 A CA 1.726 53.816 52.037 0.089 0.000 0.799 270 A CB -1.803 17.008 19.000 -0.316 0.000 1.011 270 A HN 2.927 nan 8.150 nan 0.000 0.500 271 G N -2.187 106.673 108.800 0.100 0.000 2.184 271 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 271 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 271 G C 0.126 175.048 174.900 0.037 0.000 0.975 271 G CA 1.278 46.422 45.100 0.073 0.000 0.642 271 G HN 1.161 nan 8.290 nan 0.000 0.536 272 K N 1.793 122.202 120.400 0.014 0.000 2.211 272 K HA 0.502 4.822 4.320 -0.000 0.000 0.275 272 K C -2.213 174.375 176.600 -0.019 0.000 1.024 272 K CA -2.004 54.281 56.287 -0.003 0.000 0.887 272 K CB 1.995 34.485 32.500 -0.017 0.000 1.084 272 K HN 0.076 nan 8.250 nan 0.000 0.463 273 P HA 0.164 nan 4.420 nan 0.000 0.280 273 P C -0.766 176.527 177.300 -0.011 0.000 1.244 273 P CA -0.234 62.861 63.100 -0.008 0.000 0.784 273 P CB 0.546 32.253 31.700 0.012 0.000 0.913 274 I N -1.667 118.885 120.570 -0.029 0.000 2.865 274 I HA 0.806 4.976 4.170 -0.000 0.000 0.302 274 I C -0.820 175.386 176.117 0.149 0.000 1.140 274 I CA -1.050 60.257 61.300 0.012 0.000 1.021 274 I CB 2.529 40.380 38.000 -0.248 0.000 1.233 274 I HN 0.263 nan 8.210 nan 0.000 0.427 275 S N 2.633 118.543 115.700 0.351 0.000 2.590 275 S HA 0.375 4.845 4.470 -0.000 0.000 0.286 275 S C -1.538 173.179 174.600 0.194 0.000 1.147 275 S CA -0.559 57.829 58.200 0.313 0.000 0.963 275 S CB 1.323 64.608 63.200 0.141 0.000 1.124 275 S HN 0.705 nan 8.310 nan 0.000 0.458 276 Q N 2.045 121.876 119.800 0.052 0.000 2.413 276 Q HA 0.588 4.928 4.340 -0.000 0.000 0.276 276 Q C -1.100 174.835 176.000 -0.108 0.000 1.099 276 Q CA -0.670 55.022 55.803 -0.187 0.000 0.814 276 Q CB 2.348 30.724 28.738 -0.604 0.000 1.379 276 Q HN 0.678 nan 8.270 nan 0.000 0.436 277 T N 1.087 115.585 114.554 -0.093 0.000 2.841 277 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 277 T C -0.360 174.300 174.700 -0.065 0.000 0.991 277 T CA -0.591 61.476 62.100 -0.055 0.000 0.966 277 T CB 1.240 70.093 68.868 -0.026 0.000 0.962 277 T HN 0.441 nan 8.240 nan 0.000 0.438 278 V N 0.379 120.260 119.914 -0.054 0.000 2.962 278 V HA 0.838 4.958 4.120 -0.000 0.000 0.313 278 V C -0.201 175.877 176.094 -0.028 0.000 1.099 278 V CA -0.918 61.352 62.300 -0.049 0.000 0.971 278 V CB 2.181 33.967 31.823 -0.063 0.000 1.028 278 V HN 0.732 nan 8.190 nan 0.000 0.430 279 S N 3.211 118.897 115.700 -0.024 0.000 2.537 279 S HA 0.735 5.205 4.470 -0.000 0.000 0.275 279 S C -0.425 174.168 174.600 -0.011 0.000 1.272 279 S CA -0.428 57.763 58.200 -0.014 0.000 1.050 279 S CB 0.539 63.731 63.200 -0.012 0.000 0.961 279 S HN 0.645 nan 8.310 nan 0.000 0.496 280 L N 2.808 124.029 121.223 -0.004 0.000 2.343 280 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 280 L C 0.401 177.273 176.870 0.004 0.000 0.996 280 L CA -0.779 54.061 54.840 0.000 0.000 0.831 280 L CB 1.459 43.521 42.059 0.005 0.000 1.232 280 L HN 0.713 nan 8.230 nan 0.000 0.413 281 A N 2.706 125.528 122.820 0.003 0.000 2.386 281 A HA 0.603 4.923 4.320 -0.000 0.000 0.246 281 A C 0.655 178.244 177.584 0.010 0.000 1.089 281 A CA 0.058 52.098 52.037 0.005 0.000 0.790 281 A CB 0.380 19.381 19.000 0.002 0.000 1.042 281 A HN 0.828 nan 8.150 nan 0.000 0.497 282 A N 1.156 123.983 122.820 0.011 0.000 2.566 282 A HA 0.411 4.731 4.320 -0.000 0.000 0.245 282 A C 0.965 178.559 177.584 0.017 0.000 1.056 282 A CA 0.655 52.702 52.037 0.016 0.000 0.757 282 A CB -0.256 18.752 19.000 0.014 0.000 0.979 282 A HN 1.089 nan 8.150 nan 0.000 0.508 283 K N -0.178 120.236 120.400 0.024 0.000 3.512 283 K HA -0.167 4.153 4.320 -0.000 0.000 0.309 283 K C 0.061 176.674 176.600 0.021 0.000 1.350 283 K CA 1.635 57.938 56.287 0.027 0.000 0.960 283 K CB -1.696 30.816 32.500 0.021 0.000 1.290 283 K HN 1.011 nan 8.250 nan 0.000 0.454 284 E N 1.121 121.330 120.200 0.016 0.000 2.301 284 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 284 E C -0.376 176.231 176.600 0.011 0.000 1.030 284 E CA -0.533 55.873 56.400 0.010 0.000 0.852 284 E CB 0.887 30.589 29.700 0.004 0.000 1.060 284 E HN 0.190 nan 8.360 nan 0.000 0.401 285 R N 3.425 123.929 120.500 0.007 0.000 2.387 285 R HA 0.337 4.677 4.340 -0.000 0.000 0.314 285 R C -1.006 175.295 176.300 0.001 0.000 0.958 285 R CA -0.565 55.539 56.100 0.007 0.000 0.846 285 R CB 0.905 31.210 30.300 0.008 0.000 1.147 285 R HN 0.402 nan 8.270 nan 0.000 0.447 286 K N 1.880 122.280 120.400 -0.000 0.000 2.316 286 K HA 0.317 4.637 4.320 -0.000 0.000 0.251 286 K C -1.018 175.582 176.600 0.000 0.000 0.934 286 K CA -0.831 55.452 56.287 -0.007 0.000 0.802 286 K CB 2.454 34.942 32.500 -0.020 0.000 1.171 286 K HN 0.463 nan 8.250 nan 0.000 0.426 287 T N 1.952 116.508 114.554 0.003 0.000 2.729 287 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 287 T C -0.200 174.484 174.700 -0.026 0.000 0.928 287 T CA -0.527 61.581 62.100 0.014 0.000 1.045 287 T CB 0.509 69.398 68.868 0.036 0.000 0.902 287 T HN 0.137 nan 8.240 nan 0.000 0.500 288 V N 4.672 124.557 119.914 -0.049 0.000 2.432 288 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 288 V C 0.622 176.633 176.094 -0.140 0.000 1.043 288 V CA -0.551 61.660 62.300 -0.149 0.000 0.925 288 V CB 1.382 33.052 31.823 -0.255 0.000 0.985 288 V HN 0.889 nan 8.190 nan 0.000 0.466 289 T N 6.179 120.638 114.554 -0.159 0.000 2.756 289 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 289 T C -0.260 174.355 174.700 -0.142 0.000 0.985 289 T CA -0.081 61.968 62.100 -0.085 0.000 0.955 289 T CB 0.196 69.034 68.868 -0.050 0.000 0.930 289 T HN 0.282 nan 8.240 nan 0.000 0.451 290 F N 3.845 123.747 119.950 -0.079 0.000 2.450 290 F HA 0.322 4.849 4.527 -0.000 0.000 0.339 290 F C -1.532 174.231 175.800 -0.062 0.000 1.146 290 F CA -1.985 55.974 58.000 -0.067 0.000 1.267 290 F CB 0.114 39.066 39.000 -0.079 0.000 1.178 290 F HN 0.344 nan 8.300 nan 0.000 0.585 291 P HA 0.014 nan 4.420 nan 0.000 0.268 291 P C -0.631 176.704 177.300 0.059 0.000 1.205 291 P CA -0.335 62.803 63.100 0.063 0.000 0.771 291 P CB 0.455 32.187 31.700 0.055 0.000 0.858 292 L N 4.216 125.454 121.223 0.025 0.000 2.593 292 L HA 0.015 4.355 4.340 -0.000 0.000 0.287 292 L C -0.709 176.164 176.870 0.005 0.000 1.243 292 L CA 0.766 55.608 54.840 0.005 0.000 0.890 292 L CB 0.162 42.224 42.059 0.006 0.000 1.134 292 L HN 0.072 nan 8.230 nan 0.000 0.502 293 V N 5.718 125.617 119.914 -0.026 0.000 2.378 293 V HA 0.594 4.714 4.120 -0.000 0.000 0.288 293 V C 0.696 176.766 176.094 -0.040 0.000 1.016 293 V CA -0.137 62.145 62.300 -0.031 0.000 0.840 293 V CB 1.067 32.850 31.823 -0.067 0.000 0.994 293 V HN 1.015 nan 8.190 nan 0.000 0.431 294 G N 3.883 112.695 108.800 0.020 0.000 2.420 294 G HA2 0.587 4.547 3.960 -0.000 0.000 0.284 294 G HA3 0.587 4.547 3.960 -0.000 0.000 0.284 294 G C -1.283 173.625 174.900 0.012 0.000 1.177 294 G CA -0.320 44.824 45.100 0.072 0.000 0.841 294 G HN 0.512 nan 8.290 nan 0.000 0.527 295 L N 1.690 122.851 121.223 -0.105 0.000 2.441 295 L HA 0.410 4.749 4.340 -0.000 0.000 0.270 295 L C -1.099 175.781 176.870 0.018 0.000 0.973 295 L CA -0.775 54.019 54.840 -0.076 0.000 0.842 295 L CB 1.939 43.891 42.059 -0.179 0.000 1.239 295 L HN 0.406 nan 8.230 nan 0.000 0.406 296 D N 4.860 125.329 120.400 0.114 0.000 2.210 296 D HA 0.332 4.972 4.640 -0.000 0.000 0.249 296 D C 0.093 176.453 176.300 0.101 0.000 1.062 296 D CA -0.259 53.834 54.000 0.156 0.000 0.891 296 D CB 1.274 42.151 40.800 0.128 0.000 1.186 296 D HN 0.424 nan 8.370 nan 0.000 0.432 297 R N 0.518 121.082 120.500 0.107 0.000 3.184 297 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 297 R C -2.022 174.337 176.300 0.098 0.000 0.907 297 R CA -0.009 56.147 56.100 0.094 0.000 0.618 297 R CB -1.665 28.681 30.300 0.077 0.000 1.016 297 R HN 0.397 nan 8.270 nan 0.000 0.469 298 P HA -0.075 nan 4.420 nan 0.000 0.267 298 P C -0.415 176.992 177.300 0.178 0.000 1.200 298 P CA 0.162 63.365 63.100 0.171 0.000 0.772 298 P CB 0.445 32.224 31.700 0.132 0.000 0.855 299 N N 1.179 119.982 118.700 0.170 0.000 2.434 299 N HA 0.108 4.847 4.740 -0.000 0.000 0.273 299 N C -0.078 175.529 175.510 0.162 0.000 1.210 299 N CA -0.320 52.740 53.050 0.018 0.000 0.992 299 N CB 0.229 38.457 38.487 -0.431 0.000 1.355 299 N HN 0.214 nan 8.380 nan 0.000 0.495 300 V N 2.584 122.607 119.914 0.182 0.000 2.655 300 V HA -0.072 4.048 4.120 -0.000 0.000 0.300 300 V C 0.364 176.526 176.094 0.114 0.000 1.044 300 V CA -0.292 62.072 62.300 0.107 0.000 1.095 300 V CB 0.346 32.147 31.823 -0.037 0.000 0.952 300 V HN 0.567 nan 8.190 nan 0.000 0.485 301 W N 5.282 126.524 121.300 -0.097 0.000 2.238 301 W HA 0.482 5.142 4.660 -0.000 0.000 0.321 301 W C -0.789 175.570 176.519 -0.266 0.000 1.293 301 W CA -0.447 56.862 57.345 -0.061 0.000 1.204 301 W CB 0.615 30.057 29.460 -0.031 0.000 1.167 301 W HN 0.531 nan 8.180 nan 0.000 0.553 302 W N 7.012 127.965 121.300 -0.578 0.000 2.864 302 W HA 0.405 5.064 4.660 -0.000 0.000 0.343 302 W C -1.826 174.017 176.519 -1.127 0.000 1.109 302 W CA -2.185 54.830 57.345 -0.550 0.000 1.192 302 W CB 0.676 29.954 29.460 -0.303 0.000 1.426 302 W HN 0.168 nan 8.180 nan 0.000 0.529 303 P HA 0.073 nan 4.420 nan 0.000 0.270 303 P C -0.424 176.743 177.300 -0.222 0.000 1.227 303 P CA -0.093 62.836 63.100 -0.284 0.000 0.788 303 P CB 0.319 32.029 31.700 0.017 0.000 0.926 304 A N 1.416 124.141 122.820 -0.158 0.000 2.540 304 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 304 A C 1.540 179.066 177.584 -0.097 0.000 1.061 304 A CA 0.890 52.854 52.037 -0.121 0.000 0.758 304 A CB -1.594 17.359 19.000 -0.078 0.000 0.991 304 A HN 0.872 nan 8.150 nan 0.000 0.502 305 G N 1.315 110.048 108.800 -0.110 0.000 2.199 305 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 305 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 305 G C 0.706 175.516 174.900 -0.150 0.000 0.982 305 G CA 0.856 45.891 45.100 -0.109 0.000 0.632 305 G HN 0.708 nan 8.290 nan 0.000 0.529 306 M N 0.069 119.564 119.600 -0.175 0.000 2.414 306 M HA 0.465 4.945 4.480 -0.000 0.000 0.251 306 M C 1.312 177.219 176.300 -0.654 0.000 1.116 306 M CA 1.225 56.329 55.300 -0.327 0.000 1.056 306 M CB 0.968 33.484 32.600 -0.140 0.000 1.388 306 M HN 0.871 nan 8.290 nan 0.000 0.487 307 G N -0.475 108.084 108.800 -0.402 0.000 2.404 307 G HA2 0.337 4.297 3.960 -0.000 0.000 0.253 307 G HA3 0.337 4.297 3.960 -0.000 0.000 0.253 307 G C -1.044 173.780 174.900 -0.126 0.000 1.253 307 G CA -0.521 44.347 45.100 -0.387 0.000 0.917 307 G HN 0.227 nan 8.290 nan 0.000 0.480 308 G N -1.269 107.535 108.800 0.008 0.000 2.562 308 G HA2 0.488 4.448 3.960 -0.000 0.000 0.275 308 G HA3 0.488 4.448 3.960 -0.000 0.000 0.275 308 G C -0.177 174.661 174.900 -0.103 0.000 1.196 308 G CA -0.091 45.005 45.100 -0.007 0.000 0.908 308 G HN 0.466 nan 8.290 nan 0.000 0.524 309 Q N -0.714 119.018 119.800 -0.114 0.000 2.263 309 Q HA 0.182 4.522 4.340 -0.000 0.000 0.337 309 Q C -0.185 175.938 176.000 0.206 0.000 0.906 309 Q CA -0.377 55.306 55.803 -0.201 0.000 1.124 309 Q CB 0.305 28.982 28.738 -0.101 0.000 1.255 309 Q HN 0.742 nan 8.270 nan 0.000 0.435 310 H N 0.068 119.197 119.070 0.099 0.000 2.732 310 H HA 0.397 4.953 4.556 -0.000 0.000 0.351 310 H C -0.494 174.855 175.328 0.036 0.000 1.090 310 H CA 0.152 56.203 56.048 0.005 0.000 1.431 310 H CB 0.565 30.242 29.762 -0.141 0.000 1.447 310 H HN 0.031 nan 8.280 nan 0.000 0.582 311 R N 3.690 123.713 120.500 -0.796 0.000 2.621 311 R HA 0.277 4.616 4.340 -0.000 0.000 0.292 311 R C -1.146 174.498 176.300 -1.093 0.000 0.969 311 R CA -0.735 54.944 56.100 -0.702 0.000 0.887 311 R CB 1.389 31.475 30.300 -0.357 0.000 1.180 311 R HN 0.558 nan 8.270 nan 0.000 0.450 312 Y N 0.266 120.048 120.300 -0.864 0.000 2.374 312 Y HA 0.212 4.762 4.550 -0.000 0.000 0.322 312 Y C 0.525 176.081 175.900 -0.573 0.000 1.275 312 Y CA -0.217 57.473 58.100 -0.684 0.000 1.307 312 Y CB 0.914 38.918 38.460 -0.759 0.000 1.282 312 Y HN 0.353 nan 8.280 nan 0.000 0.509 313 D N 1.311 121.674 120.400 -0.061 0.000 2.193 313 D HA 0.314 4.954 4.640 -0.000 0.000 0.249 313 D C -1.259 175.147 176.300 0.177 0.000 1.034 313 D CA -0.418 53.597 54.000 0.026 0.000 0.902 313 D CB 2.122 42.938 40.800 0.026 0.000 1.182 313 D HN 0.237 nan 8.370 nan 0.000 0.436 314 L N 2.092 123.427 121.223 0.187 0.000 2.305 314 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 314 L C -1.213 175.683 176.870 0.044 0.000 1.013 314 L CA -0.334 54.580 54.840 0.124 0.000 0.819 314 L CB 1.519 43.639 42.059 0.102 0.000 1.227 314 L HN 0.123 nan 8.230 nan 0.000 0.417 315 D N 5.098 125.502 120.400 0.006 0.000 2.788 315 D HA 0.542 5.182 4.640 -0.000 0.000 0.247 315 D C -1.641 174.647 176.300 -0.020 0.000 1.236 315 D CA -0.076 53.926 54.000 0.004 0.000 0.898 315 D CB 1.201 42.010 40.800 0.015 0.000 1.401 315 D HN 0.555 nan 8.370 nan 0.000 0.549 316 L N 2.213 123.432 121.223 -0.006 0.000 2.409 316 L HA 0.623 4.963 4.340 -0.000 0.000 0.262 316 L C -0.632 176.256 176.870 0.030 0.000 0.992 316 L CA -0.664 54.176 54.840 0.001 0.000 0.817 316 L CB 2.699 44.757 42.059 -0.001 0.000 1.350 316 L HN 0.333 nan 8.230 nan 0.000 0.411 317 T N 1.373 115.954 114.554 0.045 0.000 2.921 317 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 317 T C -0.598 174.139 174.700 0.062 0.000 1.013 317 T CA -0.489 61.639 62.100 0.048 0.000 0.990 317 T CB 1.926 70.819 68.868 0.041 0.000 1.023 317 T HN 0.604 nan 8.240 nan 0.000 0.447 318 A N 2.550 125.402 122.820 0.054 0.000 2.274 318 A HA 0.779 5.099 4.320 -0.000 0.000 0.309 318 A C 0.105 177.714 177.584 0.042 0.000 1.226 318 A CA -0.481 51.587 52.037 0.052 0.000 0.853 318 A CB 0.515 19.541 19.000 0.044 0.000 1.146 318 A HN 0.686 nan 8.150 nan 0.000 0.518 319 S N 0.402 116.126 115.700 0.040 0.000 2.566 319 S HA 0.745 5.215 4.470 -0.000 0.000 0.298 319 S C -0.756 173.862 174.600 0.030 0.000 1.083 319 S CA -0.496 57.725 58.200 0.035 0.000 0.978 319 S CB 1.798 65.019 63.200 0.035 0.000 1.073 319 S HN 0.683 nan 8.310 nan 0.000 0.491 320 V N 1.056 120.987 119.914 0.029 0.000 2.733 320 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 320 V C 0.634 176.743 176.094 0.025 0.000 1.084 320 V CA -0.165 62.151 62.300 0.026 0.000 0.905 320 V CB 1.234 33.074 31.823 0.028 0.000 1.010 320 V HN 1.245 nan 8.190 nan 0.000 0.424 321 G N 3.218 112.031 108.800 0.021 0.000 2.283 321 G HA2 0.040 4.000 3.960 -0.000 0.000 0.280 321 G HA3 0.040 4.000 3.960 -0.000 0.000 0.280 321 G C 1.230 176.143 174.900 0.021 0.000 1.029 321 G CA 0.907 46.019 45.100 0.020 0.000 0.840 321 G HN 2.498 nan 8.290 nan 0.000 0.505 322 G N -1.989 106.824 108.800 0.022 0.000 2.166 322 G HA2 0.093 4.053 3.960 -0.000 0.000 0.260 322 G HA3 0.093 4.053 3.960 -0.000 0.000 0.260 322 G C 0.759 175.674 174.900 0.025 0.000 0.986 322 G CA 1.773 46.887 45.100 0.023 0.000 0.683 322 G HN 2.705 nan 8.290 nan 0.000 0.527 323 T N -1.812 112.758 114.554 0.027 0.000 2.887 323 T HA 0.719 5.069 4.350 -0.000 0.000 0.288 323 T C -3.062 171.658 174.700 0.032 0.000 1.021 323 T CA -1.907 60.210 62.100 0.029 0.000 1.000 323 T CB 3.317 72.202 68.868 0.029 0.000 1.034 323 T HN -0.011 nan 8.240 nan 0.000 0.467 324 P HA 0.266 nan 4.420 nan 0.000 0.271 324 P C 0.321 177.645 177.300 0.039 0.000 1.220 324 P CA -0.219 62.903 63.100 0.037 0.000 0.768 324 P CB 1.156 32.878 31.700 0.036 0.000 0.848 325 S N 1.424 117.148 115.700 0.040 0.000 2.452 325 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 325 S C 0.260 174.886 174.600 0.044 0.000 1.057 325 S CA 0.655 58.881 58.200 0.045 0.000 0.949 325 S CB -0.058 63.167 63.200 0.043 0.000 0.836 325 S HN 0.554 nan 8.310 nan 0.000 0.518 326 D N -1.077 119.344 120.400 0.036 0.000 2.623 326 D HA 0.696 5.336 4.640 -0.000 0.000 0.241 326 D C -1.425 174.892 176.300 0.030 0.000 1.241 326 D CA -0.031 53.986 54.000 0.028 0.000 0.788 326 D CB 1.993 42.797 40.800 0.006 0.000 1.413 326 D HN 0.342 nan 8.370 nan 0.000 0.429 327 A N 0.338 123.175 122.820 0.028 0.000 2.566 327 A HA 0.954 5.274 4.320 -0.000 0.000 0.292 327 A C -1.623 175.978 177.584 0.029 0.000 1.112 327 A CA -0.126 51.929 52.037 0.031 0.000 0.707 327 A CB 1.836 20.856 19.000 0.034 0.000 1.302 327 A HN 0.929 nan 8.150 nan 0.000 0.409 328 A N 1.089 123.926 122.820 0.029 0.000 2.480 328 A HA 0.657 4.977 4.320 -0.000 0.000 0.289 328 A C -1.056 176.545 177.584 0.028 0.000 1.044 328 A CA -0.500 51.555 52.037 0.029 0.000 0.761 328 A CB 0.969 19.986 19.000 0.028 0.000 1.289 328 A HN 0.642 nan 8.150 nan 0.000 0.401 329 K N 1.430 121.849 120.400 0.031 0.000 2.206 329 K HA 0.728 5.048 4.320 -0.000 0.000 0.264 329 K C -0.084 176.535 176.600 0.033 0.000 0.967 329 K CA -0.220 56.086 56.287 0.031 0.000 0.844 329 K CB 1.818 34.337 32.500 0.031 0.000 1.099 329 K HN 0.906 nan 8.250 nan 0.000 0.441 330 S N 1.930 117.652 115.700 0.037 0.000 2.671 330 S HA 0.569 5.038 4.470 -0.000 0.000 0.277 330 S C -1.050 173.577 174.600 0.045 0.000 1.165 330 S CA -1.102 57.117 58.200 0.032 0.000 0.822 330 S CB 1.790 65.008 63.200 0.030 0.000 1.150 330 S HN 0.449 nan 8.310 nan 0.000 0.479 331 K N -0.090 120.315 120.400 0.008 0.000 2.350 331 K HA 0.815 5.135 4.320 -0.000 0.000 0.241 331 K C -1.513 175.112 176.600 0.040 0.000 0.994 331 K CA -0.771 55.498 56.287 -0.030 0.000 0.839 331 K CB 1.722 34.154 32.500 -0.113 0.000 1.244 331 K HN 0.708 nan 8.250 nan 0.000 0.443 332 F N -2.274 117.615 119.950 -0.102 0.000 2.654 332 F HA 0.644 5.170 4.527 -0.000 0.000 0.308 332 F C -0.490 175.270 175.800 -0.067 0.000 1.108 332 F CA -1.139 56.789 58.000 -0.120 0.000 0.957 332 F CB 1.027 39.974 39.000 -0.088 0.000 1.309 332 F HN 0.502 nan 8.300 nan 0.000 0.446 333 G N 0.672 109.456 108.800 -0.027 0.000 2.434 333 G HA2 0.573 4.533 3.960 -0.000 0.000 0.330 333 G HA3 0.573 4.533 3.960 -0.000 0.000 0.330 333 G C -1.779 173.232 174.900 0.184 0.000 1.155 333 G CA -1.097 43.977 45.100 -0.043 0.000 0.917 333 G HN 0.683 nan 8.290 nan 0.000 0.493 334 V N 2.318 122.380 119.914 0.246 0.000 2.311 334 V HA 0.639 4.759 4.120 -0.000 0.000 0.275 334 V C 0.321 176.481 176.094 0.110 0.000 1.022 334 V CA -0.499 61.928 62.300 0.211 0.000 0.830 334 V CB 0.444 32.428 31.823 0.268 0.000 1.012 334 V HN 0.830 nan 8.190 nan 0.000 0.452 335 R N 3.408 123.929 120.500 0.035 0.000 2.634 335 R HA 0.401 4.741 4.340 -0.000 0.000 0.263 335 R C -2.209 174.067 176.300 -0.039 0.000 1.060 335 R CA -0.554 55.539 56.100 -0.011 0.000 0.898 335 R CB 2.591 32.938 30.300 0.078 0.000 1.253 335 R HN 0.712 nan 8.270 nan 0.000 0.461 336 D N 1.791 122.155 120.400 -0.059 0.000 2.350 336 D HA 0.514 5.153 4.640 -0.000 0.000 0.245 336 D C -1.594 174.704 176.300 -0.005 0.000 1.036 336 D CA -0.534 53.444 54.000 -0.037 0.000 0.848 336 D CB 2.216 42.995 40.800 -0.034 0.000 1.307 336 D HN 0.293 nan 8.370 nan 0.000 0.469 337 V N 3.060 122.976 119.914 0.003 0.000 2.760 337 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 337 V C -1.534 174.578 176.094 0.029 0.000 1.077 337 V CA -0.487 61.843 62.300 0.051 0.000 0.910 337 V CB 1.638 33.513 31.823 0.087 0.000 1.008 337 V HN 0.610 nan 8.190 nan 0.000 0.424 338 K N 4.301 124.731 120.400 0.049 0.000 2.385 338 K HA 0.903 5.223 4.320 -0.000 0.000 0.248 338 K C -1.106 175.455 176.600 -0.064 0.000 0.955 338 K CA -0.552 55.730 56.287 -0.008 0.000 0.816 338 K CB 2.417 34.918 32.500 0.002 0.000 1.250 338 K HN 0.878 nan 8.250 nan 0.000 0.434 339 A N 1.610 124.314 122.820 -0.193 0.000 2.569 339 A HA 0.448 4.768 4.320 -0.000 0.000 0.282 339 A C -0.550 176.879 177.584 -0.259 0.000 1.165 339 A CA -0.595 51.191 52.037 -0.419 0.000 0.747 339 A CB 0.533 18.961 19.000 -0.954 0.000 1.215 339 A HN 0.683 nan 8.150 nan 0.000 0.431 340 T N -0.432 114.036 114.554 -0.144 0.000 2.910 340 T HA 0.788 5.138 4.350 -0.000 0.000 0.287 340 T C -0.291 174.383 174.700 -0.044 0.000 1.050 340 T CA -0.835 61.217 62.100 -0.081 0.000 1.011 340 T CB 0.920 69.767 68.868 -0.036 0.000 1.195 340 T HN 0.375 nan 8.240 nan 0.000 0.540 341 L N 2.845 124.057 121.223 -0.020 0.000 2.292 341 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 341 L C 0.569 177.456 176.870 0.028 0.000 1.065 341 L CA -1.078 53.769 54.840 0.011 0.000 0.806 341 L CB 0.623 42.687 42.059 0.009 0.000 1.175 341 L HN 0.787 nan 8.230 nan 0.000 0.431 342 N N 0.463 119.194 118.700 0.052 0.000 2.364 342 N HA 0.059 4.799 4.740 -0.000 0.000 0.264 342 N C 0.902 176.438 175.510 0.042 0.000 1.263 342 N CA -0.265 52.816 53.050 0.051 0.000 0.959 342 N CB 0.424 38.953 38.487 0.070 0.000 1.204 342 N HN 0.557 nan 8.380 nan 0.000 0.550 343 S N -1.715 114.005 115.700 0.033 0.000 2.500 343 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 343 S C 0.825 175.442 174.600 0.028 0.000 0.989 343 S CA 0.681 58.896 58.200 0.024 0.000 0.951 343 S CB -0.662 62.547 63.200 0.014 0.000 0.759 343 S HN 0.526 nan 8.310 nan 0.000 0.523 344 S N 0.406 116.133 115.700 0.044 0.000 2.557 344 S HA 0.508 4.978 4.470 -0.000 0.000 0.223 344 S C 1.269 175.916 174.600 0.079 0.000 0.969 344 S CA 0.075 58.307 58.200 0.053 0.000 0.927 344 S CB 0.274 63.512 63.200 0.064 0.000 0.806 344 S HN 1.019 nan 8.310 nan 0.000 0.489 345 G N 1.476 110.321 108.800 0.074 0.000 2.147 345 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 345 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 345 G C 0.214 175.183 174.900 0.115 0.000 1.005 345 G CA -0.203 44.946 45.100 0.082 0.000 0.713 345 G HN 0.797 nan 8.290 nan 0.000 0.515 346 G N -0.649 108.231 108.800 0.134 0.000 2.348 346 G HA2 0.605 4.565 3.960 -0.000 0.000 0.312 346 G HA3 0.605 4.565 3.960 -0.000 0.000 0.312 346 G C 0.002 174.995 174.900 0.155 0.000 1.126 346 G CA -0.597 44.609 45.100 0.177 0.000 0.865 346 G HN 0.539 nan 8.290 nan 0.000 0.474 347 R N 0.980 121.584 120.500 0.174 0.000 2.296 347 R HA 0.307 4.647 4.340 -0.000 0.000 0.323 347 R C -0.191 176.253 176.300 0.239 0.000 1.067 347 R CA -0.269 55.887 56.100 0.094 0.000 0.946 347 R CB 0.643 30.908 30.300 -0.057 0.000 0.991 347 R HN 0.453 nan 8.270 nan 0.000 0.448 348 Q N 4.351 124.233 119.800 0.135 0.000 2.348 348 Q HA 0.259 4.599 4.340 -0.000 0.000 0.265 348 Q C -1.660 174.432 176.000 0.152 0.000 0.998 348 Q CA -0.409 55.533 55.803 0.232 0.000 0.831 348 Q CB 0.694 29.544 28.738 0.187 0.000 1.251 348 Q HN 0.638 nan 8.270 nan 0.000 0.456 349 Y N 1.298 121.724 120.300 0.210 0.000 2.320 349 Y HA 0.589 5.139 4.550 -0.000 0.000 0.324 349 Y C 0.397 176.390 175.900 0.155 0.000 1.190 349 Y CA -0.036 58.160 58.100 0.160 0.000 1.215 349 Y CB 1.812 40.380 38.460 0.180 0.000 1.221 349 Y HN 0.718 nan 8.280 nan 0.000 0.486 350 S N 0.494 116.361 115.700 0.279 0.000 2.546 350 S HA 0.803 5.273 4.470 -0.000 0.000 0.274 350 S C -1.612 173.103 174.600 0.191 0.000 1.121 350 S CA -0.939 57.394 58.200 0.222 0.000 0.887 350 S CB 1.549 64.849 63.200 0.167 0.000 1.094 350 S HN 0.317 nan 8.310 nan 0.000 0.474 351 V N 2.146 122.168 119.914 0.181 0.000 2.487 351 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 351 V C 0.017 176.147 176.094 0.059 0.000 1.028 351 V CA -0.903 61.476 62.300 0.133 0.000 0.860 351 V CB 0.666 32.600 31.823 0.185 0.000 0.991 351 V HN 1.125 nan 8.190 nan 0.000 0.427 352 N N 3.681 122.349 118.700 -0.053 0.000 2.708 352 N HA -0.241 4.499 4.740 -0.000 0.000 0.251 352 N C 1.085 176.621 175.510 0.043 0.000 1.017 352 N CA 0.740 53.717 53.050 -0.122 0.000 0.742 352 N CB -0.796 37.367 38.487 -0.541 0.000 0.943 352 N HN 1.460 nan 8.380 nan 0.000 0.539 353 G N -1.398 107.450 108.800 0.080 0.000 2.179 353 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 353 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 353 G C -0.154 174.834 174.900 0.147 0.000 0.977 353 G CA 0.341 45.504 45.100 0.106 0.000 0.641 353 G HN 0.297 nan 8.290 nan 0.000 0.533 354 K N 1.663 122.178 120.400 0.191 0.000 2.281 354 K HA 0.400 4.720 4.320 -0.000 0.000 0.272 354 K C -2.458 174.268 176.600 0.211 0.000 1.048 354 K CA -1.925 54.492 56.287 0.217 0.000 0.898 354 K CB 2.168 34.845 32.500 0.294 0.000 1.128 354 K HN 0.200 nan 8.250 nan 0.000 0.460 355 P HA 0.149 nan 4.420 nan 0.000 0.271 355 P C -0.569 176.909 177.300 0.297 0.000 1.216 355 P CA -0.491 62.762 63.100 0.255 0.000 0.776 355 P CB 0.686 32.533 31.700 0.245 0.000 0.881 356 L N 2.799 124.186 121.223 0.274 0.000 2.388 356 L HA 0.393 4.733 4.340 -0.000 0.000 0.264 356 L C -0.203 176.604 176.870 -0.105 0.000 0.998 356 L CA -1.108 53.796 54.840 0.106 0.000 0.817 356 L CB 1.360 43.470 42.059 0.085 0.000 1.338 356 L HN 0.253 nan 8.230 nan 0.000 0.414 357 L N 3.936 124.734 121.223 -0.709 0.000 2.361 357 L HA 0.310 4.650 4.340 -0.000 0.000 0.278 357 L C -0.191 176.502 176.870 -0.295 0.000 1.113 357 L CA 0.229 54.645 54.840 -0.707 0.000 0.849 357 L CB 0.042 41.509 42.059 -0.986 0.000 1.155 357 L HN 0.251 nan 8.230 nan 0.000 0.452 358 I N 6.397 126.849 120.570 -0.196 0.000 2.581 358 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 358 I C 0.498 176.491 176.117 -0.206 0.000 1.129 358 I CA 0.531 61.728 61.300 -0.170 0.000 1.397 358 I CB -0.385 37.551 38.000 -0.106 0.000 1.399 358 I HN 0.613 nan 8.210 nan 0.000 0.537 359 R N 4.550 124.987 120.500 -0.105 0.000 2.360 359 R HA 0.706 5.046 4.340 -0.000 0.000 0.318 359 R C 0.233 176.565 176.300 0.054 0.000 0.950 359 R CA -0.458 55.647 56.100 0.008 0.000 0.837 359 R CB 2.063 32.370 30.300 0.011 0.000 1.165 359 R HN 0.872 nan 8.270 nan 0.000 0.458 360 G N 0.496 109.383 108.800 0.145 0.000 2.570 360 G HA2 0.637 4.597 3.960 -0.000 0.000 0.310 360 G HA3 0.637 4.597 3.960 -0.000 0.000 0.310 360 G C -1.360 173.653 174.900 0.188 0.000 1.266 360 G CA -0.376 44.796 45.100 0.120 0.000 0.825 360 G HN 0.662 nan 8.290 nan 0.000 0.483 361 G N -1.836 107.050 108.800 0.144 0.000 2.692 361 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 361 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 361 G C -0.325 174.620 174.900 0.075 0.000 1.423 361 G CA 0.235 45.418 45.100 0.137 0.000 0.843 361 G HN 1.363 nan 8.290 nan 0.000 0.486 362 G N -0.439 108.321 108.800 -0.068 0.000 2.365 362 G HA2 0.434 4.394 3.960 -0.000 0.000 0.293 362 G HA3 0.434 4.394 3.960 -0.000 0.000 0.293 362 G C -0.463 174.262 174.900 -0.293 0.000 1.128 362 G CA -0.126 44.835 45.100 -0.231 0.000 0.971 362 G HN 0.637 nan 8.290 nan 0.000 0.422 363 Y N 2.594 122.795 120.300 -0.165 0.000 2.346 363 Y HA 0.541 5.091 4.550 -0.000 0.000 0.330 363 Y C 0.534 176.328 175.900 -0.177 0.000 1.178 363 Y CA -0.005 58.028 58.100 -0.111 0.000 1.331 363 Y CB 1.705 40.206 38.460 0.067 0.000 1.253 363 Y HN 0.490 nan 8.280 nan 0.000 0.529 364 T N 8.085 122.081 114.554 -0.930 0.000 2.912 364 T HA 0.525 4.875 4.350 -0.000 0.000 0.299 364 T C -2.902 171.300 174.700 -0.831 0.000 1.052 364 T CA -2.185 59.538 62.100 -0.628 0.000 0.996 364 T CB 1.475 70.159 68.868 -0.307 0.000 1.070 364 T HN 0.547 nan 8.240 nan 0.000 0.465 365 P HA 0.272 nan 4.420 nan 0.000 0.289 365 P C -0.622 176.703 177.300 0.043 0.000 1.299 365 P CA -0.315 62.785 63.100 0.001 0.000 0.766 365 P CB 0.344 32.197 31.700 0.255 0.000 1.226 366 D N -0.907 119.544 120.400 0.086 0.000 2.443 366 D HA -0.064 4.576 4.640 -0.000 0.000 0.239 366 D C 1.234 177.410 176.300 -0.206 0.000 1.136 366 D CA -0.221 53.770 54.000 -0.016 0.000 0.879 366 D CB 0.178 41.029 40.800 0.085 0.000 1.195 366 D HN 0.046 nan 8.370 nan 0.000 0.443 367 L N 3.446 124.257 121.223 -0.686 0.000 2.187 367 L HA -0.053 4.287 4.340 -0.000 0.000 0.213 367 L C 0.691 177.003 176.870 -0.930 0.000 1.100 367 L CA 1.647 55.676 54.840 -1.351 0.000 0.765 367 L CB -0.397 40.663 42.059 -1.665 0.000 0.904 367 L HN 0.507 nan 8.230 nan 0.000 0.437 368 F N -1.307 118.665 119.950 0.036 0.000 2.668 368 F HA 0.367 4.894 4.527 -0.000 0.000 0.301 368 F C 0.951 176.853 175.800 0.170 0.000 1.106 368 F CA -0.982 57.088 58.000 0.118 0.000 1.289 368 F CB -0.611 38.440 39.000 0.086 0.000 1.006 368 F HN -0.207 nan 8.300 nan 0.000 0.535 369 L N 0.188 121.577 121.223 0.277 0.000 3.781 369 L HA -0.314 4.026 4.340 -0.000 0.000 0.426 369 L C 0.284 177.331 176.870 0.295 0.000 1.197 369 L CA 0.400 55.425 54.840 0.308 0.000 0.907 369 L CB -1.609 40.631 42.059 0.300 0.000 1.812 369 L HN 0.279 nan 8.230 nan 0.000 0.956 370 R N 0.730 121.391 120.500 0.269 0.000 2.370 370 R HA 0.138 4.478 4.340 -0.000 0.000 0.309 370 R C 0.088 176.567 176.300 0.298 0.000 1.059 370 R CA -0.153 56.100 56.100 0.254 0.000 0.981 370 R CB 0.730 31.143 30.300 0.188 0.000 0.972 370 R HN 0.301 nan 8.270 nan 0.000 0.437 371 W N 5.206 126.585 121.300 0.132 0.000 2.469 371 W HA 0.298 4.958 4.660 -0.000 0.000 0.320 371 W C -1.117 175.474 176.519 0.119 0.000 1.086 371 W CA -0.517 56.909 57.345 0.135 0.000 1.211 371 W CB 1.380 30.924 29.460 0.139 0.000 1.298 371 W HN 0.485 nan 8.180 nan 0.000 0.525 372 N N 4.249 122.393 118.700 -0.925 0.000 2.503 372 N HA -0.018 4.722 4.740 -0.000 0.000 0.287 372 N C 0.200 175.053 175.510 -1.094 0.000 1.096 372 N CA -0.102 52.479 53.050 -0.781 0.000 0.936 372 N CB 1.876 40.175 38.487 -0.313 0.000 1.570 372 N HN 0.714 nan 8.380 nan 0.000 0.504 373 E N 1.686 121.417 120.200 -0.781 0.000 2.072 373 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 373 E C 0.743 177.184 176.600 -0.264 0.000 0.985 373 E CA 1.705 57.846 56.400 -0.432 0.000 0.801 373 E CB 0.314 30.041 29.700 0.044 0.000 0.750 373 E HN 0.663 nan 8.360 nan 0.000 0.452 374 T N 0.699 115.138 114.554 -0.191 0.000 2.652 374 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 374 T C 1.887 176.489 174.700 -0.164 0.000 1.039 374 T CA 1.557 63.577 62.100 -0.132 0.000 1.153 374 T CB -0.421 68.392 68.868 -0.092 0.000 0.863 374 T HN 0.341 nan 8.240 nan 0.000 0.428 375 A N 1.418 124.116 122.820 -0.203 0.000 1.940 375 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 375 A C 2.654 180.153 177.584 -0.142 0.000 1.176 375 A CA 1.961 53.896 52.037 -0.170 0.000 0.631 375 A CB -1.143 17.769 19.000 -0.146 0.000 0.814 375 A HN 0.527 nan 8.150 nan 0.000 0.446 376 A N -0.051 122.641 122.820 -0.213 0.000 1.883 376 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 376 A C 2.543 180.090 177.584 -0.062 0.000 1.186 376 A CA 2.329 54.335 52.037 -0.053 0.000 0.624 376 A CB -1.136 17.805 19.000 -0.099 0.000 0.822 376 A HN 1.103 nan 8.150 nan 0.000 0.444 377 A N 0.226 122.981 122.820 -0.108 0.000 1.883 377 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 377 A C 1.766 179.280 177.584 -0.117 0.000 1.186 377 A CA 1.982 53.958 52.037 -0.102 0.000 0.624 377 A CB -0.756 18.200 19.000 -0.075 0.000 0.822 377 A HN 0.489 nan 8.150 nan 0.000 0.444 378 D N -0.107 120.201 120.400 -0.154 0.000 2.133 378 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 378 D C 1.894 177.976 176.300 -0.364 0.000 0.997 378 D CA 1.624 55.473 54.000 -0.252 0.000 0.840 378 D CB -0.330 40.274 40.800 -0.327 0.000 0.947 378 D HN 0.533 nan 8.370 nan 0.000 0.452 379 K N 0.076 120.323 120.400 -0.254 0.000 2.057 379 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 379 K C 2.354 178.972 176.600 0.030 0.000 1.050 379 K CA 0.494 56.694 56.287 -0.145 0.000 0.935 379 K CB -0.112 32.548 32.500 0.268 0.000 0.715 379 K HN 0.133 nan 8.250 nan 0.000 0.439 380 L N 1.005 122.213 121.223 -0.024 0.000 2.093 380 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 380 L C 2.206 179.070 176.870 -0.010 0.000 1.085 380 L CA 1.241 56.044 54.840 -0.060 0.000 0.755 380 L CB -0.230 41.693 42.059 -0.228 0.000 0.904 380 L HN 0.103 nan 8.230 nan 0.000 0.435 381 K N -0.974 119.419 120.400 -0.011 0.000 2.097 381 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 381 K C 2.128 178.826 176.600 0.162 0.000 1.049 381 K CA 1.350 57.666 56.287 0.048 0.000 0.933 381 K CB -0.207 32.315 32.500 0.036 0.000 0.717 381 K HN 0.117 nan 8.250 nan 0.000 0.442 382 Y N 0.935 121.189 120.300 -0.077 0.000 2.207 382 Y HA -0.225 4.325 4.550 -0.000 0.000 0.287 382 Y C 2.289 178.204 175.900 0.026 0.000 1.156 382 Y CA 0.375 58.451 58.100 -0.039 0.000 1.182 382 Y CB -0.814 37.463 38.460 -0.305 0.000 0.979 382 Y HN -0.200 nan 8.280 nan 0.000 0.521 383 V N 0.107 120.135 119.914 0.190 0.000 2.252 383 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 383 V C 2.477 178.572 176.094 0.002 0.000 1.056 383 V CA 1.947 64.307 62.300 0.099 0.000 1.022 383 V CB -0.928 30.947 31.823 0.087 0.000 0.641 383 V HN 0.353 nan 8.190 nan 0.000 0.445 384 L N 0.280 121.509 121.223 0.009 0.000 2.083 384 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 384 L C 2.509 179.359 176.870 -0.033 0.000 1.083 384 L CA 1.896 56.723 54.840 -0.022 0.000 0.752 384 L CB -0.854 41.198 42.059 -0.012 0.000 0.899 384 L HN 0.526 nan 8.230 nan 0.000 0.433 385 N N 0.965 119.664 118.700 -0.001 0.000 2.223 385 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 385 N C 1.889 177.349 175.510 -0.085 0.000 1.016 385 N CA 0.995 54.042 53.050 -0.005 0.000 0.863 385 N CB 0.108 38.618 38.487 0.037 0.000 0.983 385 N HN 0.335 nan 8.380 nan 0.000 0.429 386 L N -0.156 120.954 121.223 -0.188 0.000 2.376 386 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 386 L C 1.518 178.196 176.870 -0.320 0.000 1.133 386 L CA 0.802 55.419 54.840 -0.371 0.000 0.816 386 L CB -0.194 41.577 42.059 -0.481 0.000 0.933 386 L HN 0.384 nan 8.230 nan 0.000 0.449 387 G N -0.205 108.466 108.800 -0.214 0.000 2.157 387 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 387 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 387 G C 0.247 175.020 174.900 -0.211 0.000 0.979 387 G CA -0.155 44.825 45.100 -0.200 0.000 0.650 387 G HN 0.194 nan 8.290 nan 0.000 0.529 388 L N 0.316 121.413 121.223 -0.210 0.000 2.439 388 L HA 0.411 4.750 4.340 -0.000 0.000 0.261 388 L C 1.511 178.328 176.870 -0.087 0.000 1.153 388 L CA -0.112 54.626 54.840 -0.169 0.000 0.808 388 L CB 0.596 42.568 42.059 -0.146 0.000 1.126 388 L HN 0.303 nan 8.230 nan 0.000 0.460 389 N N -1.729 116.937 118.700 -0.058 0.000 2.197 389 N HA 0.055 4.795 4.740 -0.000 0.000 0.201 389 N C -0.323 175.192 175.510 0.008 0.000 1.148 389 N CA -0.138 52.897 53.050 -0.025 0.000 0.883 389 N CB 0.782 39.253 38.487 -0.027 0.000 1.012 389 N HN 0.524 nan 8.380 nan 0.000 0.507 390 T N 0.260 114.822 114.554 0.013 0.000 2.956 390 T HA 0.504 4.854 4.350 -0.000 0.000 0.312 390 T C -0.956 173.783 174.700 0.065 0.000 1.151 390 T CA -0.828 61.294 62.100 0.036 0.000 1.024 390 T CB 2.305 71.181 68.868 0.014 0.000 1.140 390 T HN 0.103 nan 8.240 nan 0.000 0.473 391 V N 0.672 120.638 119.914 0.086 0.000 2.581 391 V HA 0.792 4.911 4.120 -0.000 0.000 0.303 391 V C -0.136 176.044 176.094 0.144 0.000 1.041 391 V CA -1.135 61.245 62.300 0.133 0.000 0.907 391 V CB 1.745 33.667 31.823 0.164 0.000 0.994 391 V HN 0.897 nan 8.190 nan 0.000 0.442 392 R N 2.992 123.587 120.500 0.159 0.000 2.460 392 R HA 0.728 5.068 4.340 -0.000 0.000 0.303 392 R C -1.726 174.683 176.300 0.182 0.000 0.968 392 R CA -0.824 55.368 56.100 0.153 0.000 0.889 392 R CB 1.560 31.955 30.300 0.158 0.000 1.123 392 R HN 0.799 nan 8.270 nan 0.000 0.455 393 L N 3.726 125.039 121.223 0.151 0.000 2.324 393 L HA 0.301 4.641 4.340 -0.000 0.000 0.274 393 L C -0.109 176.835 176.870 0.124 0.000 1.012 393 L CA -0.023 54.926 54.840 0.180 0.000 0.859 393 L CB 1.579 43.735 42.059 0.163 0.000 1.224 393 L HN 0.604 nan 8.230 nan 0.000 0.429 394 E N 3.382 123.749 120.200 0.277 0.000 1.932 394 E HA 0.416 4.766 4.350 -0.000 0.000 0.275 394 E C 0.937 177.713 176.600 0.294 0.000 1.159 394 E CA 0.472 57.038 56.400 0.275 0.000 0.905 394 E CB 0.251 30.271 29.700 0.534 0.000 1.059 394 E HN 0.748 nan 8.360 nan 0.000 0.400 395 G N 4.253 113.072 108.800 0.032 0.000 2.575 395 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 395 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 395 G C 0.022 174.983 174.900 0.102 0.000 1.264 395 G CA 0.290 45.353 45.100 -0.060 0.000 0.935 395 G HN 1.004 nan 8.290 nan 0.000 0.568 396 H N -1.511 117.612 119.070 0.089 0.000 2.684 396 H HA -0.169 4.387 4.556 -0.000 0.000 0.309 396 H C 1.181 176.608 175.328 0.167 0.000 1.102 396 H CA 0.748 56.843 56.048 0.077 0.000 1.147 396 H CB -1.952 27.800 29.762 -0.017 0.000 1.391 396 H HN 0.712 nan 8.280 nan 0.000 0.398 397 I N 0.914 121.667 120.570 0.304 0.000 2.683 397 I HA -0.043 4.127 4.170 -0.000 0.000 0.286 397 I C 1.172 177.433 176.117 0.240 0.000 1.175 397 I CA 0.505 61.938 61.300 0.221 0.000 1.429 397 I CB 0.399 38.443 38.000 0.074 0.000 1.371 397 I HN 0.245 nan 8.210 nan 0.000 0.569 398 E N 7.087 127.348 120.200 0.102 0.000 2.345 398 E HA 0.331 4.681 4.350 -0.000 0.000 0.259 398 E C -2.142 174.520 176.600 0.104 0.000 1.117 398 E CA -1.579 54.802 56.400 -0.032 0.000 0.913 398 E CB 0.603 29.934 29.700 -0.615 0.000 1.057 398 E HN 0.307 nan 8.360 nan 0.000 0.432 399 P HA -0.036 nan 4.420 nan 0.000 0.271 399 P C 0.416 177.724 177.300 0.014 0.000 1.238 399 P CA -0.105 62.893 63.100 -0.170 0.000 0.794 399 P CB 0.493 31.790 31.700 -0.670 0.000 0.959 400 D N 0.700 121.126 120.400 0.044 0.000 2.133 400 D HA -0.199 4.441 4.640 -0.000 0.000 0.192 400 D C 1.517 177.947 176.300 0.216 0.000 1.001 400 D CA 1.729 55.834 54.000 0.175 0.000 0.844 400 D CB -0.277 40.618 40.800 0.158 0.000 0.944 400 D HN 0.501 nan 8.370 nan 0.000 0.447 401 E N -0.074 120.223 120.200 0.161 0.000 2.153 401 E HA -0.138 4.211 4.350 -0.000 0.000 0.194 401 E C 1.839 178.634 176.600 0.326 0.000 0.988 401 E CA 0.332 56.900 56.400 0.279 0.000 0.811 401 E CB -0.435 29.514 29.700 0.414 0.000 0.746 401 E HN 0.364 nan 8.360 nan 0.000 0.466 402 F N -0.182 119.890 119.950 0.204 0.000 2.161 402 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 402 F C 1.454 177.095 175.800 -0.265 0.000 1.089 402 F CA 1.293 59.312 58.000 0.031 0.000 1.282 402 F CB -0.019 38.960 39.000 -0.035 0.000 1.010 402 F HN -0.039 nan 8.300 nan 0.000 0.485 403 F N 0.658 120.622 119.950 0.024 0.000 2.234 403 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 403 F C 2.286 177.990 175.800 -0.159 0.000 1.089 403 F CA 1.170 59.004 58.000 -0.275 0.000 1.343 403 F CB -0.844 37.702 39.000 -0.757 0.000 1.040 403 F HN -0.097 nan 8.300 nan 0.000 0.498 404 D N 0.789 121.299 120.400 0.183 0.000 2.126 404 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 404 D C 2.384 178.737 176.300 0.090 0.000 1.001 404 D CA 1.698 55.830 54.000 0.221 0.000 0.841 404 D CB -0.604 40.323 40.800 0.212 0.000 0.949 404 D HN 0.238 nan 8.370 nan 0.000 0.446 405 I N 1.373 121.944 120.570 0.001 0.000 2.163 405 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 405 I C 2.589 178.639 176.117 -0.111 0.000 1.085 405 I CA 1.315 62.574 61.300 -0.068 0.000 1.347 405 I CB -0.288 37.635 38.000 -0.128 0.000 1.044 405 I HN -0.071 nan 8.210 nan 0.000 0.408 406 A N 0.457 123.127 122.820 -0.251 0.000 1.948 406 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 406 A C 1.932 179.584 177.584 0.113 0.000 1.177 406 A CA 2.310 54.244 52.037 -0.171 0.000 0.636 406 A CB -0.697 18.115 19.000 -0.313 0.000 0.815 406 A HN 0.388 nan 8.150 nan 0.000 0.449 407 D N 0.255 120.748 120.400 0.155 0.000 2.084 407 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 407 D C 1.360 177.931 176.300 0.451 0.000 0.990 407 D CA 1.549 55.731 54.000 0.304 0.000 0.826 407 D CB -0.486 40.406 40.800 0.153 0.000 0.971 407 D HN 0.391 nan 8.370 nan 0.000 0.453 408 D N -0.145 120.387 120.400 0.220 0.000 2.178 408 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 408 D C 2.041 178.402 176.300 0.102 0.000 0.974 408 D CA 0.368 54.458 54.000 0.150 0.000 0.841 408 D CB -0.087 40.757 40.800 0.074 0.000 0.953 408 D HN 0.240 nan 8.370 nan 0.000 0.478 409 L N -0.715 120.558 121.223 0.083 0.000 2.509 409 L HA 0.186 4.526 4.340 -0.000 0.000 0.222 409 L C 1.292 178.176 176.870 0.024 0.000 1.123 409 L CA 0.313 55.169 54.840 0.027 0.000 0.856 409 L CB -0.032 42.020 42.059 -0.012 0.000 0.985 409 L HN 0.078 nan 8.230 nan 0.000 0.456 410 G N 0.959 109.833 108.800 0.124 0.000 2.221 410 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.265 410 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.265 410 G C 0.022 174.991 174.900 0.116 0.000 1.041 410 G CA 0.075 45.192 45.100 0.029 0.000 0.807 410 G HN 0.118 nan 8.290 nan 0.000 0.502 411 V N 1.511 121.524 119.914 0.164 0.000 2.406 411 V HA 0.440 4.560 4.120 -0.000 0.000 0.272 411 V C 1.141 177.335 176.094 0.167 0.000 1.043 411 V CA -0.648 61.708 62.300 0.095 0.000 0.915 411 V CB 1.434 33.249 31.823 -0.012 0.000 0.988 411 V HN 0.354 nan 8.190 nan 0.000 0.466 412 L N 5.328 126.648 121.223 0.162 0.000 2.380 412 L HA 0.409 4.749 4.340 -0.000 0.000 0.273 412 L C 0.691 177.633 176.870 0.119 0.000 1.138 412 L CA 0.072 55.016 54.840 0.173 0.000 0.832 412 L CB 1.037 43.173 42.059 0.128 0.000 1.124 412 L HN 0.790 nan 8.230 nan 0.000 0.454 413 T N 0.793 115.440 114.554 0.154 0.000 2.856 413 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 413 T C -0.292 174.514 174.700 0.177 0.000 1.008 413 T CA -0.836 61.383 62.100 0.198 0.000 0.997 413 T CB 1.652 70.740 68.868 0.366 0.000 0.992 413 T HN 0.496 nan 8.240 nan 0.000 0.454 414 M N 4.221 123.911 119.600 0.150 0.000 2.386 414 M HA 0.309 4.789 4.480 -0.000 0.000 0.245 414 M C -2.510 173.821 176.300 0.051 0.000 0.982 414 M CA -1.972 53.394 55.300 0.110 0.000 0.860 414 M CB 1.485 34.145 32.600 0.100 0.000 1.371 414 M HN 0.482 nan 8.290 nan 0.000 0.425 415 P HA 0.614 nan 4.420 nan 0.000 0.276 415 P C -0.085 176.726 177.300 -0.814 0.000 1.252 415 P CA 0.124 63.074 63.100 -0.250 0.000 0.802 415 P CB 1.681 33.280 31.700 -0.168 0.000 1.035 416 G N -0.638 107.504 108.800 -1.097 0.000 2.342 416 G HA2 0.307 4.267 3.960 -0.000 0.000 0.297 416 G HA3 0.307 4.267 3.960 -0.000 0.000 0.297 416 G C -1.913 172.419 174.900 -0.948 0.000 1.313 416 G CA -0.977 43.161 45.100 -1.603 0.000 0.830 416 G HN 0.401 nan 8.290 nan 0.000 0.506 417 W N 0.923 121.862 121.300 -0.602 0.000 2.129 417 W HA 0.491 5.151 4.660 -0.000 0.000 0.349 417 W C 1.085 177.398 176.519 -0.344 0.000 1.279 417 W CA -0.548 56.449 57.345 -0.581 0.000 1.306 417 W CB 0.749 29.914 29.460 -0.490 0.000 1.140 417 W HN 0.683 nan 8.180 nan 0.000 0.613 418 E N 0.615 120.786 120.200 -0.049 0.000 2.250 418 E HA 0.449 4.799 4.350 -0.000 0.000 0.265 418 E C -0.021 176.660 176.600 0.134 0.000 1.033 418 E CA -0.937 55.481 56.400 0.030 0.000 0.888 418 E CB 1.159 30.814 29.700 -0.074 0.000 1.151 418 E HN 0.529 nan 8.360 nan 0.000 0.412 419 C N -0.542 118.843 119.300 0.142 0.000 2.478 419 C HA 0.506 4.966 4.460 -0.000 0.000 0.379 419 C C 0.936 176.014 174.990 0.147 0.000 1.470 419 C CA -0.011 59.111 59.018 0.174 0.000 2.066 419 C CB -0.330 27.499 27.740 0.149 0.000 2.001 419 C HN 1.064 nan 8.230 nan 0.000 0.550 420 C N 1.446 120.838 119.300 0.153 0.000 4.456 420 C HA -0.006 4.454 4.460 -0.000 0.000 0.288 420 C C -0.113 174.922 174.990 0.074 0.000 1.374 420 C CA 1.317 60.398 59.018 0.106 0.000 1.956 420 C CB -3.627 24.169 27.740 0.094 0.000 1.255 420 C HN 1.254 nan 8.230 nan 0.000 0.788 421 D N -2.248 118.210 120.400 0.097 0.000 3.435 421 D HA 0.353 4.993 4.640 -0.000 0.000 0.352 421 D C 0.515 176.864 176.300 0.081 0.000 1.460 421 D CA -0.089 53.948 54.000 0.063 0.000 0.935 421 D CB -0.085 40.733 40.800 0.029 0.000 1.468 421 D HN -0.168 nan 8.370 nan 0.000 0.573 422 K N -0.330 120.066 120.400 -0.007 0.000 2.089 422 K HA -0.100 4.220 4.320 -0.000 0.000 0.210 422 K C 1.718 178.347 176.600 0.048 0.000 1.048 422 K CA 2.049 58.278 56.287 -0.097 0.000 0.926 422 K CB -0.701 31.587 32.500 -0.353 0.000 0.714 422 K HN 0.541 nan 8.250 nan 0.000 0.448 423 W N 0.938 122.286 121.300 0.080 0.000 2.342 423 W HA -0.103 4.557 4.660 -0.000 0.000 0.297 423 W C 1.488 178.167 176.519 0.267 0.000 1.213 423 W CA 1.425 58.874 57.345 0.173 0.000 1.251 423 W CB -0.019 29.452 29.460 0.017 0.000 1.136 423 W HN 0.208 nan 8.180 nan 0.000 0.526 424 E N -0.753 119.666 120.200 0.364 0.000 2.501 424 E HA 0.100 4.450 4.350 -0.000 0.000 0.200 424 E C 2.144 178.765 176.600 0.035 0.000 1.016 424 E CA 0.119 56.630 56.400 0.185 0.000 0.921 424 E CB 0.146 29.979 29.700 0.221 0.000 1.034 424 E HN 0.269 nan 8.360 nan 0.000 0.468 425 G N 1.378 110.255 108.800 0.128 0.000 2.448 425 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 425 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 425 G C 1.561 176.427 174.900 -0.058 0.000 1.127 425 G CA 0.446 45.584 45.100 0.064 0.000 0.766 425 G HN 0.142 nan 8.290 nan 0.000 0.552 426 Q N 0.320 119.953 119.800 -0.279 0.000 2.444 426 Q HA 0.123 4.462 4.340 -0.000 0.000 0.206 426 Q C 1.791 177.586 176.000 -0.341 0.000 0.948 426 Q CA 1.108 56.657 55.803 -0.422 0.000 0.946 426 Q CB 0.145 28.312 28.738 -0.952 0.000 1.027 426 Q HN 0.461 nan 8.270 nan 0.000 0.513 427 V N -3.391 116.329 119.914 -0.324 0.000 3.392 427 V HA 0.276 4.396 4.120 -0.000 0.000 0.285 427 V C 0.497 176.187 176.094 -0.673 0.000 1.582 427 V CA 0.236 62.321 62.300 -0.359 0.000 1.034 427 V CB -0.228 31.453 31.823 -0.236 0.000 0.846 427 V HN 0.361 nan 8.190 nan 0.000 0.431 428 N N 1.820 120.122 118.700 -0.664 0.000 2.276 428 N HA 0.387 5.127 4.740 -0.000 0.000 0.212 428 N C 1.089 176.243 175.510 -0.593 0.000 1.127 428 N CA 0.600 53.011 53.050 -1.065 0.000 0.834 428 N CB 0.353 38.551 38.487 -0.482 0.000 1.014 428 N HN 0.820 nan 8.380 nan 0.000 0.491 429 G N 1.718 110.280 108.800 -0.398 0.000 2.611 429 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.301 429 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.301 429 G C 0.453 175.282 174.900 -0.118 0.000 1.233 429 G CA 0.481 45.463 45.100 -0.197 0.000 0.993 429 G HN 0.290 nan 8.290 nan 0.000 0.553 430 E N 1.672 121.833 120.200 -0.065 0.000 2.511 430 E HA 0.100 4.450 4.350 -0.000 0.000 0.196 430 E C 1.202 177.787 176.600 -0.026 0.000 1.066 430 E CA 0.721 57.099 56.400 -0.037 0.000 0.871 430 E CB 0.044 29.732 29.700 -0.019 0.000 0.863 430 E HN 0.540 nan 8.360 nan 0.000 0.520 431 E N 1.395 121.578 120.200 -0.029 0.000 2.398 431 E HA 0.008 4.358 4.350 -0.000 0.000 0.263 431 E C -0.412 176.186 176.600 -0.003 0.000 1.046 431 E CA -0.292 56.109 56.400 0.002 0.000 0.908 431 E CB 0.533 30.263 29.700 0.051 0.000 0.963 431 E HN -0.325 nan 8.360 nan 0.000 0.431 432 K N 1.723 122.131 120.400 0.015 0.000 2.559 432 K HA 0.336 4.656 4.320 -0.000 0.000 0.279 432 K C -0.203 176.405 176.600 0.014 0.000 0.967 432 K CA 1.783 58.078 56.287 0.013 0.000 1.000 432 K CB 0.277 32.789 32.500 0.021 0.000 0.890 432 K HN 0.765 nan 8.250 nan 0.000 0.501 433 G N 1.991 110.793 108.800 0.004 0.000 3.187 433 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.682 433 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.682 433 G C -1.213 173.691 174.900 0.006 0.000 1.266 433 G CA -0.981 44.125 45.100 0.009 0.000 0.902 433 G HN 0.463 nan 8.290 nan 0.000 0.589 434 E N 2.994 123.193 120.200 -0.001 0.000 2.266 434 E HA 0.435 4.785 4.350 -0.000 0.000 0.277 434 E C -2.063 174.581 176.600 0.074 0.000 1.018 434 E CA -1.699 54.703 56.400 0.003 0.000 0.840 434 E CB 1.540 31.218 29.700 -0.037 0.000 1.082 434 E HN 0.295 nan 8.360 nan 0.000 0.395 435 P HA -0.086 nan 4.420 nan 0.000 0.268 435 P C -1.006 176.419 177.300 0.209 0.000 1.208 435 P CA 0.102 63.272 63.100 0.116 0.000 0.777 435 P CB 0.373 32.099 31.700 0.044 0.000 0.875 436 W N 2.049 123.269 121.300 -0.132 0.000 2.261 436 W HA 0.343 5.003 4.660 -0.000 0.000 0.323 436 W C 0.020 176.514 176.519 -0.041 0.000 1.243 436 W CA -0.289 56.943 57.345 -0.189 0.000 1.210 436 W CB 0.019 29.212 29.460 -0.444 0.000 1.149 436 W HN 0.115 nan 8.180 nan 0.000 0.562 437 V N 0.373 120.354 119.914 0.112 0.000 3.096 437 V HA 0.416 4.536 4.120 -0.000 0.000 0.319 437 V C 1.051 177.277 176.094 0.220 0.000 1.082 437 V CA -0.741 61.633 62.300 0.125 0.000 1.022 437 V CB 1.508 33.340 31.823 0.015 0.000 1.103 437 V HN 0.558 nan 8.190 nan 0.000 0.455 438 E N 1.415 121.727 120.200 0.187 0.000 2.171 438 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 438 E C 2.245 178.945 176.600 0.167 0.000 0.997 438 E CA 1.943 58.461 56.400 0.197 0.000 0.810 438 E CB -0.298 29.433 29.700 0.051 0.000 0.738 438 E HN 1.011 nan 8.360 nan 0.000 0.467 439 S N 0.363 116.087 115.700 0.040 0.000 2.470 439 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 439 S C 1.419 175.945 174.600 -0.123 0.000 1.006 439 S CA 0.494 58.671 58.200 -0.038 0.000 0.934 439 S CB 0.117 63.269 63.200 -0.080 0.000 0.778 439 S HN 0.016 nan 8.310 nan 0.000 0.517 440 D N 1.128 121.397 120.400 -0.219 0.000 2.117 440 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 440 D C 1.511 177.509 176.300 -0.503 0.000 0.987 440 D CA 1.273 54.927 54.000 -0.577 0.000 0.829 440 D CB -0.442 39.755 40.800 -1.005 0.000 0.961 440 D HN 0.522 nan 8.370 nan 0.000 0.460 441 Y N 0.444 120.676 120.300 -0.114 0.000 2.165 441 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 441 Y C -0.405 175.487 175.900 -0.014 0.000 1.155 441 Y CA 1.104 59.241 58.100 0.061 0.000 1.164 441 Y CB -1.517 37.011 38.460 0.113 0.000 0.978 441 Y HN 0.191 nan 8.280 nan 0.000 0.513 442 P HA -0.100 nan 4.420 nan 0.000 0.224 442 P C 1.366 178.659 177.300 -0.012 0.000 1.157 442 P CA 1.112 64.233 63.100 0.034 0.000 0.799 442 P CB 0.088 31.796 31.700 0.012 0.000 0.809 443 I N 0.258 120.768 120.570 -0.100 0.000 2.179 443 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 443 I C 2.221 178.280 176.117 -0.097 0.000 1.088 443 I CA 1.601 62.820 61.300 -0.134 0.000 1.357 443 I CB -1.927 35.915 38.000 -0.265 0.000 1.051 443 I HN -0.080 nan 8.210 nan 0.000 0.409 444 A N 0.653 123.373 122.820 -0.165 0.000 1.933 444 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 444 A C 2.474 180.281 177.584 0.373 0.000 1.175 444 A CA 1.835 53.907 52.037 0.058 0.000 0.628 444 A CB -0.540 18.516 19.000 0.092 0.000 0.814 444 A HN 0.425 nan 8.150 nan 0.000 0.444 445 K N -0.390 120.157 120.400 0.245 0.000 2.103 445 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 445 K C 2.053 178.802 176.600 0.249 0.000 1.052 445 K CA 1.044 57.496 56.287 0.274 0.000 0.945 445 K CB -0.259 32.335 32.500 0.157 0.000 0.722 445 K HN 0.340 nan 8.250 nan 0.000 0.443 446 A N 0.635 123.556 122.820 0.168 0.000 1.968 446 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 446 A C 2.082 179.793 177.584 0.212 0.000 1.169 446 A CA 1.539 53.668 52.037 0.154 0.000 0.638 446 A CB -0.398 18.637 19.000 0.059 0.000 0.812 446 A HN 0.343 nan 8.150 nan 0.000 0.446 447 S N -0.518 115.328 115.700 0.243 0.000 2.370 447 S HA -0.237 4.232 4.470 -0.000 0.000 0.226 447 S C 1.979 176.799 174.600 0.367 0.000 1.033 447 S CA 2.003 60.413 58.200 0.350 0.000 1.011 447 S CB -0.361 63.128 63.200 0.481 0.000 0.852 447 S HN 0.588 nan 8.310 nan 0.000 0.457 448 M N 0.792 120.632 119.600 0.399 0.000 2.175 448 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 448 M C 1.675 177.955 176.300 -0.033 0.000 1.063 448 M CA 1.275 56.690 55.300 0.192 0.000 1.119 448 M CB -0.587 32.206 32.600 0.321 0.000 1.377 448 M HN 0.304 nan 8.290 nan 0.000 0.415 449 F N -0.112 119.821 119.950 -0.028 0.000 2.113 449 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 449 F C 2.156 177.885 175.800 -0.118 0.000 1.103 449 F CA 1.989 59.937 58.000 -0.087 0.000 1.248 449 F CB -0.742 38.232 39.000 -0.042 0.000 0.999 449 F HN 0.149 nan 8.300 nan 0.000 0.475 450 S N 0.314 115.999 115.700 -0.024 0.000 2.359 450 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 450 S C 1.853 176.328 174.600 -0.207 0.000 1.035 450 S CA 1.486 59.613 58.200 -0.122 0.000 1.018 450 S CB -0.414 62.797 63.200 0.019 0.000 0.876 450 S HN 0.425 nan 8.310 nan 0.000 0.448 451 E N 1.407 121.491 120.200 -0.193 0.000 2.072 451 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 451 E C 2.383 178.681 176.600 -0.504 0.000 0.985 451 E CA 1.037 57.246 56.400 -0.318 0.000 0.801 451 E CB -0.538 28.925 29.700 -0.395 0.000 0.750 451 E HN 0.481 nan 8.360 nan 0.000 0.452 452 A N 1.426 123.843 122.820 -0.671 0.000 1.902 452 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 452 A C 2.135 179.482 177.584 -0.395 0.000 1.181 452 A CA 1.885 53.485 52.037 -0.729 0.000 0.623 452 A CB -0.482 18.077 19.000 -0.735 0.000 0.818 452 A HN 0.343 nan 8.150 nan 0.000 0.443 453 E N -0.541 119.329 120.200 -0.550 0.000 2.107 453 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 453 E C 2.227 178.663 176.600 -0.273 0.000 0.982 453 E CA 0.891 56.988 56.400 -0.504 0.000 0.809 453 E CB -0.167 29.089 29.700 -0.739 0.000 0.756 453 E HN 0.575 nan 8.360 nan 0.000 0.459 454 R N -0.055 120.309 120.500 -0.226 0.000 2.092 454 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 454 R C 2.189 178.463 176.300 -0.043 0.000 1.119 454 R CA 1.220 57.255 56.100 -0.108 0.000 0.970 454 R CB 0.028 30.269 30.300 -0.098 0.000 0.864 454 R HN 0.269 nan 8.270 nan 0.000 0.440 455 L N 0.189 121.358 121.223 -0.090 0.000 2.513 455 L HA 0.099 4.439 4.340 -0.000 0.000 0.222 455 L C 2.215 179.135 176.870 0.084 0.000 1.096 455 L CA 0.071 54.889 54.840 -0.037 0.000 0.857 455 L CB -0.094 41.888 42.059 -0.128 0.000 1.026 455 L HN 0.145 nan 8.230 nan 0.000 0.469 456 R N -0.427 120.116 120.500 0.072 0.000 2.152 456 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 456 R C 0.311 176.549 176.300 -0.104 0.000 1.117 456 R CA 1.509 57.592 56.100 -0.029 0.000 0.981 456 R CB -0.422 29.849 30.300 -0.048 0.000 0.870 456 R HN 0.180 nan 8.270 nan 0.000 0.451 457 D N 0.026 120.368 120.400 -0.098 0.000 2.424 457 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 457 D C -0.605 175.556 176.300 -0.232 0.000 1.150 457 D CA 0.067 53.992 54.000 -0.126 0.000 0.831 457 D CB 0.194 40.939 40.800 -0.091 0.000 0.981 457 D HN 0.244 nan 8.370 nan 0.000 0.500 458 H N 0.863 119.862 119.070 -0.117 0.000 2.641 458 H HA 0.149 4.705 4.556 -0.000 0.000 0.295 458 H C -1.493 173.661 175.328 -0.292 0.000 1.070 458 H CA -1.585 54.370 56.048 -0.154 0.000 1.257 458 H CB 1.684 31.397 29.762 -0.083 0.000 1.393 458 H HN -0.017 nan 8.280 nan 0.000 0.464 459 P HA -0.141 nan 4.420 nan 0.000 0.225 459 P C 1.428 178.154 177.300 -0.956 0.000 1.148 459 P CA 0.833 63.433 63.100 -0.832 0.000 0.779 459 P CB 0.306 31.090 31.700 -1.526 0.000 0.780 460 S N -1.195 114.135 115.700 -0.617 0.000 2.481 460 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 460 S C 0.968 175.590 174.600 0.037 0.000 0.996 460 S CA 0.088 58.188 58.200 -0.166 0.000 0.942 460 S CB -1.215 62.038 63.200 0.089 0.000 0.768 460 S HN -0.088 nan 8.310 nan 0.000 0.520 461 V N 3.666 123.591 119.914 0.019 0.000 2.470 461 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 461 V C 1.226 177.351 176.094 0.051 0.000 1.040 461 V CA -0.089 62.258 62.300 0.080 0.000 1.008 461 V CB 0.613 32.462 31.823 0.043 0.000 0.990 461 V HN 0.628 nan 8.190 nan 0.000 0.477 462 I N 2.104 122.743 120.570 0.115 0.000 4.070 462 I HA 0.405 4.575 4.170 -0.000 0.000 0.328 462 I C 0.603 176.869 176.117 0.249 0.000 1.298 462 I CA 0.142 61.541 61.300 0.165 0.000 1.173 462 I CB 0.565 38.662 38.000 0.161 0.000 1.051 462 I HN 0.659 nan 8.210 nan 0.000 0.409 463 S N -0.218 115.615 115.700 0.221 0.000 2.645 463 S HA 0.500 4.970 4.470 -0.000 0.000 0.268 463 S C -1.412 173.338 174.600 0.251 0.000 1.110 463 S CA -0.788 57.544 58.200 0.220 0.000 0.823 463 S CB 1.388 64.723 63.200 0.225 0.000 1.091 463 S HN 0.216 nan 8.310 nan 0.000 0.466 464 F N 1.406 121.391 119.950 0.058 0.000 2.520 464 F HA 0.557 5.084 4.527 -0.000 0.000 0.322 464 F C -0.164 175.502 175.800 -0.225 0.000 1.103 464 F CA -0.409 57.516 58.000 -0.126 0.000 0.926 464 F CB 1.590 40.401 39.000 -0.315 0.000 1.154 464 F HN 0.753 nan 8.300 nan 0.000 0.453 465 H N 7.525 126.258 119.070 -0.563 0.000 2.640 465 H HA 0.272 4.828 4.556 -0.000 0.000 0.297 465 H C 1.020 176.151 175.328 -0.329 0.000 1.073 465 H CA 0.105 55.957 56.048 -0.326 0.000 1.305 465 H CB 1.444 31.019 29.762 -0.311 0.000 1.404 465 H HN 0.788 nan 8.280 nan 0.000 0.459 466 I N 0.509 121.110 120.570 0.053 0.000 3.578 466 I HA 0.301 4.471 4.170 -0.000 0.000 0.295 466 I C 0.782 177.115 176.117 0.359 0.000 1.280 466 I CA 0.072 61.468 61.300 0.159 0.000 1.347 466 I CB 0.572 38.722 38.000 0.250 0.000 1.051 466 I HN 0.297 nan 8.210 nan 0.000 0.460 467 G N -0.272 108.685 108.800 0.263 0.000 2.696 467 G HA2 0.460 4.420 3.960 -0.000 0.000 0.295 467 G HA3 0.460 4.420 3.960 -0.000 0.000 0.295 467 G C -0.605 174.418 174.900 0.205 0.000 1.398 467 G CA 0.158 45.424 45.100 0.278 0.000 0.920 467 G HN -0.001 nan 8.290 nan 0.000 0.492 468 S N -0.394 115.402 115.700 0.161 0.000 3.049 468 S HA 0.120 4.590 4.470 -0.000 0.000 0.182 468 S C 1.385 175.999 174.600 0.023 0.000 0.725 468 S CA 1.075 59.304 58.200 0.050 0.000 0.811 468 S CB 0.012 63.237 63.200 0.042 0.000 0.801 468 S HN 0.401 nan 8.310 nan 0.000 0.627 469 D N 0.296 120.722 120.400 0.043 0.000 2.123 469 D HA 0.225 4.865 4.640 -0.000 0.000 0.200 469 D C -0.276 175.881 176.300 -0.237 0.000 0.976 469 D CA 0.975 54.916 54.000 -0.097 0.000 0.831 469 D CB 0.047 40.815 40.800 -0.053 0.000 0.974 469 D HN 0.306 nan 8.370 nan 0.000 0.469 470 F N -0.072 119.908 119.950 0.051 0.000 2.520 470 F HA 0.592 5.119 4.527 -0.000 0.000 0.322 470 F C 0.404 176.249 175.800 0.075 0.000 1.103 470 F CA -1.506 56.523 58.000 0.048 0.000 0.926 470 F CB 1.460 40.477 39.000 0.029 0.000 1.154 470 F HN -0.242 nan 8.300 nan 0.000 0.453 471 A N 4.242 127.205 122.820 0.238 0.000 2.425 471 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 471 A C -2.273 175.419 177.584 0.180 0.000 1.077 471 A CA -1.186 50.964 52.037 0.189 0.000 0.781 471 A CB -0.486 18.593 19.000 0.132 0.000 1.020 471 A HN 0.439 nan 8.150 nan 0.000 0.494 472 P HA 0.146 nan 4.420 nan 0.000 0.272 472 P C -0.681 176.638 177.300 0.031 0.000 1.240 472 P CA -0.224 62.931 63.100 0.092 0.000 0.791 472 P CB 0.332 32.126 31.700 0.156 0.000 0.978 473 D N 0.014 120.385 120.400 -0.049 0.000 2.384 473 D HA 0.029 4.669 4.640 -0.000 0.000 0.244 473 D C 1.362 177.644 176.300 -0.030 0.000 1.251 473 D CA -0.368 53.605 54.000 -0.044 0.000 0.961 473 D CB 0.422 41.174 40.800 -0.081 0.000 1.116 473 D HN 0.319 nan 8.370 nan 0.000 0.484 474 R N -0.349 120.138 120.500 -0.021 0.000 2.081 474 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 474 R C 2.297 178.583 176.300 -0.024 0.000 1.131 474 R CA 1.266 57.358 56.100 -0.013 0.000 0.960 474 R CB -0.113 30.179 30.300 -0.013 0.000 0.856 474 R HN 0.544 nan 8.270 nan 0.000 0.436 475 R N 0.444 120.922 120.500 -0.035 0.000 2.070 475 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 475 R C 2.266 178.552 176.300 -0.024 0.000 1.137 475 R CA 1.975 58.056 56.100 -0.032 0.000 0.945 475 R CB -0.287 29.986 30.300 -0.045 0.000 0.845 475 R HN 0.300 nan 8.270 nan 0.000 0.430 476 I N 0.447 120.971 120.570 -0.075 0.000 2.202 476 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 476 I C 2.578 178.506 176.117 -0.315 0.000 1.091 476 I CA 1.470 62.615 61.300 -0.257 0.000 1.368 476 I CB -0.519 37.204 38.000 -0.461 0.000 1.058 476 I HN 0.398 nan 8.210 nan 0.000 0.410 477 E N 1.002 121.143 120.200 -0.098 0.000 2.038 477 E HA -0.353 3.997 4.350 -0.000 0.000 0.195 477 E C 2.190 178.823 176.600 0.054 0.000 1.000 477 E CA 1.799 58.231 56.400 0.053 0.000 0.803 477 E CB -0.056 29.696 29.700 0.086 0.000 0.750 477 E HN 0.307 nan 8.360 nan 0.000 0.448 478 Q N 0.194 120.004 119.800 0.016 0.000 2.112 478 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 478 Q C 1.992 178.012 176.000 0.035 0.000 0.987 478 Q CA 2.265 58.084 55.803 0.026 0.000 0.858 478 Q CB -0.949 27.792 28.738 0.005 0.000 0.905 478 Q HN 0.396 nan 8.270 nan 0.000 0.420 479 G N -0.910 107.890 108.800 -0.000 0.000 2.491 479 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 479 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 479 G C 0.959 175.926 174.900 0.112 0.000 1.180 479 G CA 1.158 46.269 45.100 0.019 0.000 0.774 479 G HN 0.403 nan 8.290 nan 0.000 0.562 480 Y N 0.806 121.193 120.300 0.145 0.000 2.145 480 Y HA -0.004 4.546 4.550 -0.000 0.000 0.286 480 Y C 2.899 178.830 175.900 0.052 0.000 1.145 480 Y CA 0.520 58.698 58.100 0.129 0.000 1.148 480 Y CB -0.973 37.599 38.460 0.186 0.000 0.981 480 Y HN 0.072 nan 8.280 nan 0.000 0.507 481 L N -0.437 120.913 121.223 0.212 0.000 2.079 481 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 481 L C 1.962 178.893 176.870 0.101 0.000 1.081 481 L CA 1.462 56.377 54.840 0.125 0.000 0.752 481 L CB -0.549 41.569 42.059 0.098 0.000 0.896 481 L HN 0.160 nan 8.230 nan 0.000 0.433 482 D N 0.247 120.706 120.400 0.099 0.000 2.097 482 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 482 D C 2.290 178.653 176.300 0.104 0.000 0.984 482 D CA 1.455 55.503 54.000 0.080 0.000 0.826 482 D CB -0.125 40.708 40.800 0.054 0.000 0.973 482 D HN 0.273 nan 8.370 nan 0.000 0.460 483 A N 0.918 123.823 122.820 0.141 0.000 1.892 483 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 483 A C 2.287 179.985 177.584 0.189 0.000 1.188 483 A CA 1.839 54.001 52.037 0.210 0.000 0.631 483 A CB -0.694 18.449 19.000 0.240 0.000 0.822 483 A HN 0.179 nan 8.150 nan 0.000 0.447 484 M N -1.115 118.525 119.600 0.068 0.000 2.159 484 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 484 M C 2.306 178.671 176.300 0.109 0.000 1.063 484 M CA 1.939 57.254 55.300 0.026 0.000 1.110 484 M CB -0.267 32.332 32.600 -0.001 0.000 1.374 484 M HN 0.475 nan 8.290 nan 0.000 0.411 485 K N 0.659 121.122 120.400 0.106 0.000 2.025 485 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 485 K C 1.961 178.628 176.600 0.112 0.000 1.049 485 K CA 1.429 57.772 56.287 0.094 0.000 0.933 485 K CB -0.088 32.455 32.500 0.071 0.000 0.714 485 K HN 0.271 nan 8.250 nan 0.000 0.438 486 A N 0.852 123.759 122.820 0.145 0.000 2.024 486 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 486 A C 2.046 179.817 177.584 0.311 0.000 1.164 486 A CA 1.788 53.941 52.037 0.193 0.000 0.643 486 A CB -0.467 18.614 19.000 0.135 0.000 0.806 486 A HN 0.451 nan 8.150 nan 0.000 0.451 487 A N -1.120 121.843 122.820 0.238 0.000 2.251 487 A HA 0.271 4.591 4.320 -0.000 0.000 0.209 487 A C 0.460 177.989 177.584 -0.091 0.000 1.187 487 A CA 0.699 52.712 52.037 -0.041 0.000 0.823 487 A CB -0.231 18.562 19.000 -0.346 0.000 0.846 487 A HN 0.422 nan 8.150 nan 0.000 0.486 488 D N -1.903 118.521 120.400 0.038 0.000 2.860 488 D HA -0.219 4.421 4.640 -0.000 0.000 0.229 488 D C -0.223 176.090 176.300 0.021 0.000 1.169 488 D CA 0.858 54.890 54.000 0.053 0.000 0.737 488 D CB -1.713 39.175 40.800 0.147 0.000 1.080 488 D HN 0.546 nan 8.370 nan 0.000 0.424 489 F N 0.800 120.675 119.950 -0.125 0.000 2.487 489 F HA 0.179 4.706 4.527 -0.000 0.000 0.364 489 F C 1.165 176.912 175.800 -0.090 0.000 1.126 489 F CA -0.098 57.817 58.000 -0.141 0.000 1.135 489 F CB 0.233 39.113 39.000 -0.200 0.000 1.127 489 F HN -0.041 nan 8.300 nan 0.000 0.559 490 L N 6.907 127.916 121.223 -0.357 0.000 2.818 490 L HA 0.237 4.576 4.340 -0.000 0.000 0.243 490 L C 0.073 176.767 176.870 -0.293 0.000 1.185 490 L CA -0.123 54.582 54.840 -0.224 0.000 0.988 490 L CB -0.393 41.575 42.059 -0.151 0.000 1.292 490 L HN 0.479 nan 8.230 nan 0.000 0.519 491 L N 0.285 121.167 121.223 -0.568 0.000 2.456 491 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 491 L C -1.957 174.849 176.870 -0.108 0.000 1.162 491 L CA -1.865 52.741 54.840 -0.391 0.000 0.808 491 L CB 0.319 42.014 42.059 -0.607 0.000 1.136 491 L HN -0.167 nan 8.230 nan 0.000 0.466 492 P HA 0.062 nan 4.420 nan 0.000 0.271 492 P C -1.033 176.277 177.300 0.016 0.000 1.216 492 P CA -0.131 62.943 63.100 -0.042 0.000 0.771 492 P CB 0.695 32.325 31.700 -0.117 0.000 0.864 493 V N 5.291 125.205 119.914 -0.001 0.000 2.350 493 V HA 0.248 4.368 4.120 -0.000 0.000 0.276 493 V C 0.212 176.243 176.094 -0.104 0.000 1.028 493 V CA -0.473 61.831 62.300 0.008 0.000 0.860 493 V CB 0.891 32.744 31.823 0.050 0.000 0.990 493 V HN 0.349 nan 8.190 nan 0.000 0.453 494 I N 8.324 128.754 120.570 -0.233 0.000 2.312 494 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 494 I C -1.140 174.844 176.117 -0.222 0.000 1.008 494 I CA -2.704 58.371 61.300 -0.376 0.000 1.226 494 I CB 1.414 38.883 38.000 -0.884 0.000 1.371 494 I HN 0.360 nan 8.210 nan 0.000 0.468 495 P HA -0.084 nan 4.420 nan 0.000 0.216 495 P C 0.318 177.678 177.300 0.099 0.000 1.150 495 P CA 1.351 64.475 63.100 0.039 0.000 0.837 495 P CB 0.794 32.516 31.700 0.037 0.000 0.786 496 A N -2.040 120.842 122.820 0.103 0.000 2.609 496 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 496 A C 0.585 178.312 177.584 0.238 0.000 1.096 496 A CA 0.029 52.172 52.037 0.176 0.000 0.684 496 A CB 0.594 19.648 19.000 0.090 0.000 1.282 496 A HN -0.038 nan 8.150 nan 0.000 0.412 497 A N 0.058 122.949 122.820 0.118 0.000 2.132 497 A HA 0.425 4.745 4.320 -0.000 0.000 0.213 497 A C 1.413 178.982 177.584 -0.024 0.000 1.154 497 A CA 1.429 53.457 52.037 -0.015 0.000 0.753 497 A CB -0.666 18.173 19.000 -0.268 0.000 0.826 497 A HN 1.799 nan 8.150 nan 0.000 0.469 498 S N -1.216 114.465 115.700 -0.031 0.000 2.666 498 S HA 0.595 5.065 4.470 -0.000 0.000 0.279 498 S C 1.094 175.687 174.600 -0.011 0.000 1.149 498 S CA -0.000 58.173 58.200 -0.045 0.000 1.020 498 S CB 1.107 64.241 63.200 -0.110 0.000 1.127 498 S HN 0.783 nan 8.310 nan 0.000 0.537 499 A N -0.353 122.461 122.820 -0.010 0.000 2.238 499 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 499 A C 0.985 178.579 177.584 0.016 0.000 1.177 499 A CA -0.160 51.889 52.037 0.019 0.000 0.804 499 A CB -0.550 18.474 19.000 0.040 0.000 0.823 499 A HN 0.689 nan 8.150 nan 0.000 0.482 500 R N 1.092 121.590 120.500 -0.004 0.000 2.442 500 R HA 0.262 4.602 4.340 -0.000 0.000 0.291 500 R C -2.618 173.706 176.300 0.040 0.000 1.069 500 R CA -1.283 54.826 56.100 0.014 0.000 1.022 500 R CB 0.287 30.583 30.300 -0.006 0.000 0.976 500 R HN 0.232 nan 8.270 nan 0.000 0.443 501 P HA 0.123 nan 4.420 nan 0.000 0.287 501 P C -0.792 176.543 177.300 0.058 0.000 1.270 501 P CA -0.704 62.423 63.100 0.045 0.000 0.844 501 P CB 1.583 33.305 31.700 0.037 0.000 1.068 502 S N 1.280 117.014 115.700 0.056 0.000 2.693 502 S HA 0.457 4.927 4.470 -0.000 0.000 0.276 502 S C -1.874 172.752 174.600 0.043 0.000 1.192 502 S CA -1.175 57.061 58.200 0.061 0.000 0.994 502 S CB 0.327 63.572 63.200 0.075 0.000 1.012 502 S HN 0.220 nan 8.310 nan 0.000 0.550 503 P HA 0.193 nan 4.420 nan 0.000 0.222 503 P C 0.849 178.163 177.300 0.024 0.000 1.153 503 P CA 0.654 63.770 63.100 0.026 0.000 0.798 503 P CB -0.004 31.706 31.700 0.018 0.000 0.796 504 I N -1.931 118.656 120.570 0.029 0.000 2.681 504 I HA -0.062 4.108 4.170 -0.000 0.000 0.247 504 I C 1.855 177.988 176.117 0.025 0.000 1.091 504 I CA 1.142 62.458 61.300 0.027 0.000 1.442 504 I CB -1.057 36.961 38.000 0.031 0.000 1.219 504 I HN -0.196 nan 8.210 nan 0.000 0.451 505 T N 0.426 114.999 114.554 0.032 0.000 2.951 505 T HA 0.203 4.553 4.350 -0.000 0.000 0.268 505 T C 1.004 175.711 174.700 0.011 0.000 1.073 505 T CA 1.008 63.121 62.100 0.022 0.000 1.134 505 T CB -0.251 68.633 68.868 0.026 0.000 0.884 505 T HN 0.662 nan 8.240 nan 0.000 0.479 506 G N 1.033 109.844 108.800 0.018 0.000 2.445 506 G HA2 0.160 4.120 3.960 -0.000 0.000 0.212 506 G HA3 0.160 4.120 3.960 -0.000 0.000 0.212 506 G C -0.152 174.756 174.900 0.014 0.000 1.217 506 G CA -0.463 44.645 45.100 0.015 0.000 1.002 506 G HN 0.747 nan 8.290 nan 0.000 0.574 507 A N -0.180 122.647 122.820 0.010 0.000 2.407 507 A HA 0.667 4.987 4.320 -0.000 0.000 0.248 507 A C 1.742 179.325 177.584 -0.002 0.000 1.082 507 A CA 1.347 53.392 52.037 0.013 0.000 0.785 507 A CB 0.616 19.628 19.000 0.019 0.000 1.020 507 A HN 2.340 nan 8.150 nan 0.000 0.489 508 S N 1.828 117.530 115.700 0.003 0.000 2.414 508 S HA 0.263 4.733 4.470 -0.000 0.000 0.227 508 S C 1.499 176.080 174.600 -0.032 0.000 1.022 508 S CA 1.024 59.211 58.200 -0.022 0.000 0.958 508 S CB -0.579 62.624 63.200 0.005 0.000 0.797 508 S HN 2.592 nan 8.310 nan 0.000 0.493 509 G N 1.478 110.284 108.800 0.011 0.000 2.179 509 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 509 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 509 G C -0.037 174.906 174.900 0.073 0.000 1.010 509 G CA 0.938 46.065 45.100 0.045 0.000 0.736 509 G HN 0.550 nan 8.290 nan 0.000 0.513 510 M N -1.036 118.595 119.600 0.051 0.000 2.761 510 M HA 0.636 5.116 4.480 -0.000 0.000 0.305 510 M C 0.103 176.436 176.300 0.055 0.000 1.235 510 M CA -0.917 54.433 55.300 0.084 0.000 0.850 510 M CB 2.386 34.999 32.600 0.021 0.000 1.744 510 M HN 0.276 nan 8.290 nan 0.000 0.480 511 K N 0.757 121.177 120.400 0.034 0.000 2.469 511 K HA 0.666 4.986 4.320 -0.000 0.000 0.254 511 K C -1.533 175.038 176.600 -0.047 0.000 0.939 511 K CA -0.746 55.520 56.287 -0.035 0.000 0.812 511 K CB 2.749 35.161 32.500 -0.146 0.000 1.301 511 K HN 0.844 nan 8.250 nan 0.000 0.433 512 M N 4.014 123.594 119.600 -0.033 0.000 2.952 512 M HA 0.246 4.726 4.480 -0.000 0.000 0.259 512 M C -0.856 175.484 176.300 0.067 0.000 1.306 512 M CA -0.393 54.899 55.300 -0.012 0.000 0.626 512 M CB 0.318 32.900 32.600 -0.030 0.000 1.423 512 M HN 0.671 nan 8.290 nan 0.000 0.459 513 N N 0.876 119.606 118.700 0.050 0.000 2.398 513 N HA 0.216 4.956 4.740 -0.000 0.000 0.188 513 N C 0.862 176.486 175.510 0.189 0.000 1.122 513 N CA 0.974 54.100 53.050 0.127 0.000 0.866 513 N CB 0.599 39.142 38.487 0.093 0.000 0.970 513 N HN 0.777 nan 8.380 nan 0.000 0.462 514 G N 1.265 110.141 108.800 0.125 0.000 2.741 514 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.222 514 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.222 514 G C -2.876 171.972 174.900 -0.088 0.000 1.364 514 G CA -0.680 44.415 45.100 -0.008 0.000 0.866 514 G HN 0.123 nan 8.290 nan 0.000 0.555 515 P HA 0.508 nan 4.420 nan 0.000 0.279 515 P C -0.678 176.388 177.300 -0.391 0.000 1.276 515 P CA -0.143 62.843 63.100 -0.190 0.000 0.801 515 P CB 0.662 32.144 31.700 -0.364 0.000 1.127 516 Y N -2.213 118.177 120.300 0.150 0.000 2.717 516 Y HA 0.346 4.896 4.550 -0.000 0.000 0.250 516 Y C 0.559 176.735 175.900 0.461 0.000 1.149 516 Y CA -0.121 58.098 58.100 0.199 0.000 1.211 516 Y CB 0.951 39.499 38.460 0.146 0.000 1.289 516 Y HN 0.234 nan 8.280 nan 0.000 0.552 517 D N -1.757 118.930 120.400 0.479 0.000 2.759 517 D HA 0.077 4.717 4.640 -0.000 0.000 0.321 517 D C -1.360 175.110 176.300 0.283 0.000 1.267 517 D CA -0.805 53.471 54.000 0.459 0.000 0.933 517 D CB 1.362 42.499 40.800 0.563 0.000 1.431 517 D HN -0.146 nan 8.370 nan 0.000 0.504 518 Y N 1.484 121.921 120.300 0.229 0.000 2.632 518 Y HA 0.273 4.823 4.550 -0.000 0.000 0.329 518 Y C -0.095 175.861 175.900 0.094 0.000 1.174 518 Y CA 0.563 58.789 58.100 0.209 0.000 1.469 518 Y CB 0.089 38.706 38.460 0.263 0.000 1.242 518 Y HN 0.100 nan 8.280 nan 0.000 0.540 519 V N 5.749 125.115 119.914 -0.913 0.000 2.925 519 V HA 0.697 4.817 4.120 -0.000 0.000 0.311 519 V C -2.828 172.685 176.094 -0.968 0.000 1.104 519 V CA -2.693 59.116 62.300 -0.819 0.000 0.954 519 V CB 1.895 33.059 31.823 -1.099 0.000 1.022 519 V HN 0.640 nan 8.190 nan 0.000 0.427 520 P HA 0.337 nan 4.420 nan 0.000 0.274 520 P C -2.423 174.846 177.300 -0.051 0.000 1.237 520 P CA -1.563 61.477 63.100 -0.101 0.000 0.793 520 P CB 0.734 32.438 31.700 0.008 0.000 0.977 521 P HA -0.168 nan 4.420 nan 0.000 0.216 521 P C 1.680 179.124 177.300 0.239 0.000 1.153 521 P CA 1.024 64.212 63.100 0.147 0.000 0.858 521 P CB -0.195 31.344 31.700 -0.267 0.000 0.789 522 V N -1.423 118.555 119.914 0.106 0.000 2.867 522 V HA -0.252 3.868 4.120 -0.000 0.000 0.260 522 V C 2.094 178.343 176.094 0.259 0.000 1.099 522 V CA 1.388 63.829 62.300 0.235 0.000 1.122 522 V CB -1.313 30.583 31.823 0.122 0.000 0.708 522 V HN 0.067 nan 8.190 nan 0.000 0.490 523 Y N -0.030 120.241 120.300 -0.049 0.000 2.081 523 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 523 Y C 1.955 177.823 175.900 -0.054 0.000 1.163 523 Y CA 2.453 60.451 58.100 -0.170 0.000 1.135 523 Y CB -0.505 37.614 38.460 -0.569 0.000 0.970 523 Y HN 0.415 nan 8.280 nan 0.000 0.498 524 W N -1.377 120.107 121.300 0.306 0.000 2.387 524 W HA -0.216 4.444 4.660 -0.000 0.000 0.272 524 W C 1.525 177.951 176.519 -0.155 0.000 1.224 524 W CA 0.923 58.318 57.345 0.084 0.000 1.210 524 W CB -0.639 28.834 29.460 0.022 0.000 1.125 524 W HN 0.121 nan 8.180 nan 0.000 0.572 525 Y N -0.057 120.374 120.300 0.218 0.000 2.529 525 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 525 Y C 0.701 176.634 175.900 0.054 0.000 1.177 525 Y CA 0.249 58.423 58.100 0.123 0.000 1.305 525 Y CB -0.541 37.993 38.460 0.124 0.000 1.047 525 Y HN -0.217 nan 8.280 nan 0.000 0.522 526 D N 0.329 120.791 120.400 0.104 0.000 2.351 526 D HA 0.112 4.751 4.640 -0.000 0.000 0.251 526 D C 0.412 176.713 176.300 0.003 0.000 1.137 526 D CA 0.152 54.157 54.000 0.008 0.000 0.879 526 D CB 0.746 41.481 40.800 -0.108 0.000 1.181 526 D HN 0.078 nan 8.370 nan 0.000 0.448 527 K N 1.410 121.744 120.400 -0.110 0.000 2.477 527 K HA 0.046 4.366 4.320 -0.000 0.000 0.208 527 K C 1.370 177.697 176.600 -0.455 0.000 1.117 527 K CA 0.068 56.183 56.287 -0.286 0.000 1.039 527 K CB 0.648 33.024 32.500 -0.207 0.000 0.937 527 K HN 0.434 nan 8.250 nan 0.000 0.570 528 S N 0.374 115.843 115.700 -0.384 0.000 2.446 528 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 528 S C 0.809 175.122 174.600 -0.479 0.000 1.016 528 S CA 0.230 58.189 58.200 -0.402 0.000 0.943 528 S CB 0.094 63.086 63.200 -0.346 0.000 0.786 528 S HN 0.055 nan 8.310 nan 0.000 0.508 529 Q N 1.532 120.992 119.800 -0.568 0.000 2.360 529 Q HA 0.350 4.690 4.340 -0.000 0.000 0.254 529 Q C 0.236 176.091 176.000 -0.242 0.000 0.975 529 Q CA -0.210 55.291 55.803 -0.504 0.000 0.912 529 Q CB 1.726 29.973 28.738 -0.819 0.000 1.212 529 Q HN 0.276 nan 8.270 nan 0.000 0.452 530 K N 1.970 122.246 120.400 -0.206 0.000 2.288 530 K HA -0.089 4.231 4.320 -0.000 0.000 0.201 530 K C 0.221 176.957 176.600 0.227 0.000 1.048 530 K CA 1.258 57.499 56.287 -0.077 0.000 0.956 530 K CB 0.440 32.858 32.500 -0.136 0.000 0.746 530 K HN 0.319 nan 8.250 nan 0.000 0.461 531 D N 0.147 120.625 120.400 0.130 0.000 2.340 531 D HA 0.062 4.702 4.640 -0.000 0.000 0.217 531 D C 0.036 176.443 176.300 0.178 0.000 1.081 531 D CA 0.150 54.242 54.000 0.152 0.000 0.842 531 D CB 0.413 41.273 40.800 0.099 0.000 0.934 531 D HN 0.022 nan 8.370 nan 0.000 0.511 532 R N -1.085 119.542 120.500 0.211 0.000 3.029 532 R HA 0.587 4.927 4.340 -0.000 0.000 0.239 532 R C 1.044 177.433 176.300 0.149 0.000 1.351 532 R CA -0.841 55.376 56.100 0.195 0.000 1.052 532 R CB -0.032 30.353 30.300 0.142 0.000 1.354 532 R HN -0.123 nan 8.270 nan 0.000 0.499 533 G N -0.209 108.702 108.800 0.185 0.000 3.314 533 G HA2 0.157 4.117 3.960 -0.000 0.000 0.238 533 G HA3 0.157 4.117 3.960 -0.000 0.000 0.238 533 G C 0.572 175.533 174.900 0.101 0.000 1.184 533 G CA 0.117 45.294 45.100 0.128 0.000 0.806 533 G HN 0.575 nan 8.290 nan 0.000 0.536 534 G N -0.113 108.672 108.800 -0.024 0.000 2.720 534 G HA2 0.390 4.350 3.960 -0.000 0.000 0.237 534 G HA3 0.390 4.350 3.960 -0.000 0.000 0.237 534 G C 0.656 175.462 174.900 -0.156 0.000 1.239 534 G CA 0.179 45.297 45.100 0.030 0.000 0.847 534 G HN 0.654 nan 8.290 nan 0.000 0.593 535 A N 2.150 124.838 122.820 -0.220 0.000 2.785 535 A HA 0.513 4.833 4.320 -0.000 0.000 0.294 535 A C -0.003 177.558 177.584 -0.040 0.000 1.597 535 A CA -0.141 51.515 52.037 -0.634 0.000 1.283 535 A CB -0.982 17.552 19.000 -0.778 0.000 1.088 535 A HN 0.958 nan 8.150 nan 0.000 0.568 536 W N -0.122 121.128 121.300 -0.084 0.000 3.161 536 W HA 0.554 5.214 4.660 -0.000 0.000 0.314 536 W C -0.043 176.517 176.519 0.068 0.000 1.245 536 W CA -0.172 57.169 57.345 -0.006 0.000 1.191 536 W CB -0.121 29.320 29.460 -0.032 0.000 1.392 536 W HN 1.093 nan 8.180 nan 0.000 0.568 537 S N 0.291 116.176 115.700 0.309 0.000 3.109 537 S HA -0.308 4.162 4.470 -0.000 0.000 0.632 537 S C -0.772 173.907 174.600 0.130 0.000 2.927 537 S CA 1.029 59.351 58.200 0.204 0.000 3.233 537 S CB -1.160 62.135 63.200 0.158 0.000 0.325 537 S HN 0.862 nan 8.310 nan 0.000 1.720 538 F N 2.518 122.472 119.950 0.007 0.000 2.332 538 F HA 0.450 4.977 4.527 -0.000 0.000 0.368 538 F C 0.383 176.140 175.800 -0.071 0.000 1.110 538 F CA -0.760 57.251 58.000 0.019 0.000 1.087 538 F CB 0.580 39.633 39.000 0.088 0.000 1.235 538 F HN 0.501 nan 8.300 nan 0.000 0.470 539 N N 3.422 122.069 118.700 -0.087 0.000 2.434 539 N HA -0.050 4.690 4.740 -0.000 0.000 0.273 539 N C 1.102 176.597 175.510 -0.026 0.000 1.210 539 N CA 0.271 53.256 53.050 -0.109 0.000 0.992 539 N CB 0.901 39.259 38.487 -0.215 0.000 1.355 539 N HN 0.712 nan 8.380 nan 0.000 0.495 540 S N 1.385 117.171 115.700 0.145 0.000 2.507 540 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 540 S C 0.083 174.626 174.600 -0.096 0.000 0.988 540 S CA 0.406 58.689 58.200 0.139 0.000 0.944 540 S CB -0.240 62.975 63.200 0.025 0.000 0.762 540 S HN 0.690 nan 8.310 nan 0.000 0.526 541 E N -1.266 118.789 120.200 -0.241 0.000 3.311 541 E HA 0.405 4.755 4.350 -0.000 0.000 0.384 541 E C -0.962 175.298 176.600 -0.567 0.000 0.981 541 E CA -0.531 55.606 56.400 -0.438 0.000 0.754 541 E CB 0.194 29.268 29.700 -1.044 0.000 1.369 541 E HN 0.028 nan 8.360 nan 0.000 0.448 542 T N 0.876 115.137 114.554 -0.488 0.000 2.885 542 T HA 0.774 5.124 4.350 -0.000 0.000 0.322 542 T C -1.601 172.787 174.700 -0.520 0.000 1.387 542 T CA 0.322 62.080 62.100 -0.571 0.000 1.041 542 T CB 1.891 70.602 68.868 -0.261 0.000 1.287 542 T HN 1.037 nan 8.240 nan 0.000 0.491 543 S N 1.177 116.644 115.700 -0.388 0.000 2.661 543 S HA 0.718 5.187 4.470 -0.000 0.000 0.268 543 S C 0.113 174.797 174.600 0.141 0.000 1.162 543 S CA -0.151 57.873 58.200 -0.292 0.000 0.817 543 S CB 0.871 63.627 63.200 -0.740 0.000 1.141 543 S HN 1.398 nan 8.310 nan 0.000 0.477 544 A N -0.062 122.932 122.820 0.290 0.000 2.415 544 A HA 0.727 5.047 4.320 -0.000 0.000 0.248 544 A C 1.537 179.346 177.584 0.375 0.000 1.299 544 A CA 0.816 53.030 52.037 0.296 0.000 0.899 544 A CB -1.468 17.708 19.000 0.293 0.000 0.997 544 A HN 2.529 nan 8.150 nan 0.000 0.506 545 G N -0.818 108.235 108.800 0.421 0.000 3.594 545 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.285 545 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.285 545 G C 0.261 175.323 174.900 0.269 0.000 1.551 545 G CA -0.079 45.309 45.100 0.480 0.000 1.061 545 G HN 0.834 nan 8.290 nan 0.000 0.624 546 V N 2.884 122.873 119.914 0.124 0.000 2.572 546 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 546 V C -0.388 175.596 176.094 -0.184 0.000 1.039 546 V CA 0.733 62.909 62.300 -0.206 0.000 1.055 546 V CB 1.471 32.841 31.823 -0.756 0.000 0.969 546 V HN 0.545 nan 8.190 nan 0.000 0.482 547 D N 4.541 124.866 120.400 -0.125 0.000 2.468 547 D HA 0.251 4.891 4.640 -0.000 0.000 0.272 547 D C -0.227 176.030 176.300 -0.072 0.000 1.221 547 D CA -0.430 53.548 54.000 -0.037 0.000 0.860 547 D CB 1.032 41.879 40.800 0.078 0.000 1.190 547 D HN 0.234 nan 8.370 nan 0.000 0.509 548 I N 3.478 123.975 120.570 -0.123 0.000 2.845 548 I HA -0.016 4.154 4.170 -0.000 0.000 0.290 548 I C -1.588 174.524 176.117 -0.008 0.000 1.202 548 I CA -1.117 60.153 61.300 -0.049 0.000 1.406 548 I CB -0.651 37.346 38.000 -0.005 0.000 1.383 548 I HN -0.015 nan 8.210 nan 0.000 0.549 549 P HA 0.050 nan 4.420 nan 0.000 0.274 549 P C 0.051 177.364 177.300 0.022 0.000 1.264 549 P CA -0.263 62.839 63.100 0.004 0.000 0.795 549 P CB 0.076 31.773 31.700 -0.005 0.000 1.064 550 T N -2.678 111.890 114.554 0.023 0.000 2.855 550 T HA 0.015 4.365 4.350 -0.000 0.000 0.314 550 T C 1.342 176.060 174.700 0.030 0.000 1.077 550 T CA -0.267 61.848 62.100 0.025 0.000 1.095 550 T CB -0.063 68.817 68.868 0.019 0.000 0.987 550 T HN 0.277 nan 8.240 nan 0.000 0.546 551 M N 1.091 120.705 119.600 0.023 0.000 2.202 551 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 551 M C 1.629 177.936 176.300 0.011 0.000 1.063 551 M CA 1.704 57.015 55.300 0.018 0.000 1.097 551 M CB -1.003 31.598 32.600 0.002 0.000 1.382 551 M HN 0.738 nan 8.290 nan 0.000 0.413 552 D N -1.222 119.181 120.400 0.005 0.000 2.117 552 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 552 D C 1.759 178.056 176.300 -0.006 0.000 0.982 552 D CA 1.981 55.974 54.000 -0.012 0.000 0.828 552 D CB -0.238 40.547 40.800 -0.025 0.000 0.967 552 D HN 0.402 nan 8.370 nan 0.000 0.464 553 T N 1.753 116.333 114.554 0.044 0.000 2.737 553 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 553 T C 2.298 177.057 174.700 0.098 0.000 1.038 553 T CA 0.293 62.471 62.100 0.131 0.000 1.144 553 T CB -0.338 68.658 68.868 0.212 0.000 0.866 553 T HN 0.083 nan 8.240 nan 0.000 0.434 554 L N 0.700 121.953 121.223 0.049 0.000 2.054 554 L HA -0.261 4.079 4.340 -0.000 0.000 0.220 554 L C 2.462 179.357 176.870 0.043 0.000 1.081 554 L CA 1.692 56.549 54.840 0.028 0.000 0.780 554 L CB -0.519 41.563 42.059 0.038 0.000 0.893 554 L HN 0.279 nan 8.230 nan 0.000 0.438 555 K N -0.639 119.785 120.400 0.041 0.000 2.486 555 K HA -0.059 4.261 4.320 -0.000 0.000 0.194 555 K C 1.941 178.575 176.600 0.057 0.000 1.033 555 K CA 0.492 56.807 56.287 0.047 0.000 1.004 555 K CB 0.066 32.573 32.500 0.012 0.000 0.798 555 K HN 0.358 nan 8.250 nan 0.000 0.495 556 R N 0.278 120.816 120.500 0.063 0.000 2.265 556 R HA 0.129 4.469 4.340 -0.000 0.000 0.194 556 R C 2.109 178.572 176.300 0.272 0.000 0.931 556 R CA 0.456 56.602 56.100 0.077 0.000 1.032 556 R CB 0.183 30.445 30.300 -0.063 0.000 0.980 556 R HN 0.224 nan 8.270 nan 0.000 0.497 557 M N -2.015 117.706 119.600 0.201 0.000 2.367 557 M HA 0.380 4.860 4.480 -0.000 0.000 0.256 557 M C 0.132 176.322 176.300 -0.184 0.000 1.091 557 M CA 0.650 55.950 55.300 0.001 0.000 1.049 557 M CB 0.868 33.291 32.600 -0.295 0.000 1.406 557 M HN -0.156 nan 8.290 nan 0.000 0.498 558 M N 1.193 120.793 119.600 -0.000 0.000 2.531 558 M HA 0.431 4.911 4.480 -0.000 0.000 0.286 558 M C -0.469 175.887 176.300 0.093 0.000 1.232 558 M CA -0.774 54.459 55.300 -0.113 0.000 0.877 558 M CB 2.823 35.359 32.600 -0.107 0.000 1.726 558 M HN 0.246 nan 8.290 nan 0.000 0.463 559 S N 0.670 116.360 115.700 -0.017 0.000 2.632 559 S HA 0.559 5.029 4.470 -0.000 0.000 0.267 559 S C 1.029 175.678 174.600 0.082 0.000 1.276 559 S CA -0.168 58.102 58.200 0.118 0.000 0.998 559 S CB 1.306 64.539 63.200 0.055 0.000 0.953 559 S HN 0.801 nan 8.310 nan 0.000 0.547 560 A N 1.660 124.536 122.820 0.093 0.000 1.917 560 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 560 A C 2.474 180.096 177.584 0.063 0.000 1.182 560 A CA 2.267 54.349 52.037 0.074 0.000 0.633 560 A CB -1.611 17.429 19.000 0.066 0.000 0.819 560 A HN 1.338 nan 8.150 nan 0.000 0.448 561 S N -0.656 115.069 115.700 0.041 0.000 2.414 561 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 561 S C 1.637 176.233 174.600 -0.008 0.000 1.022 561 S CA 1.155 59.364 58.200 0.016 0.000 0.958 561 S CB -0.364 62.838 63.200 0.004 0.000 0.797 561 S HN 0.626 nan 8.310 nan 0.000 0.493 562 E N 1.064 121.258 120.200 -0.010 0.000 2.153 562 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 562 E C 1.930 178.523 176.600 -0.012 0.000 0.988 562 E CA 1.385 57.770 56.400 -0.025 0.000 0.811 562 E CB -0.296 29.380 29.700 -0.039 0.000 0.746 562 E HN 0.541 nan 8.360 nan 0.000 0.466 563 L N 0.324 121.564 121.223 0.028 0.000 2.179 563 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 563 L C 2.111 179.074 176.870 0.155 0.000 1.096 563 L CA 0.731 55.618 54.840 0.079 0.000 0.779 563 L CB -0.101 42.016 42.059 0.097 0.000 0.922 563 L HN 0.079 nan 8.230 nan 0.000 0.443 564 D N -0.446 120.026 120.400 0.119 0.000 2.144 564 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 564 D C 2.048 178.187 176.300 -0.268 0.000 0.978 564 D CA 1.329 55.382 54.000 0.089 0.000 0.833 564 D CB 0.241 41.081 40.800 0.065 0.000 0.961 564 D HN 0.066 nan 8.370 nan 0.000 0.470 565 T N -0.028 114.417 114.554 -0.181 0.000 2.812 565 T HA -0.103 4.247 4.350 -0.000 0.000 0.264 565 T C 1.888 176.429 174.700 -0.266 0.000 1.042 565 T CA 0.990 62.949 62.100 -0.234 0.000 1.140 565 T CB -0.250 68.537 68.868 -0.134 0.000 0.870 565 T HN 0.213 nan 8.240 nan 0.000 0.445 566 M N 0.975 120.466 119.600 -0.182 0.000 2.073 566 M HA -0.148 4.332 4.480 -0.000 0.000 0.258 566 M C 2.341 178.390 176.300 -0.418 0.000 1.070 566 M CA 2.081 57.262 55.300 -0.199 0.000 1.103 566 M CB -0.294 32.251 32.600 -0.092 0.000 1.321 566 M HN 0.605 nan 8.290 nan 0.000 0.405 567 W N 0.501 121.441 121.300 -0.601 0.000 2.476 567 W HA -0.031 4.629 4.660 -0.000 0.000 0.281 567 W C 1.440 177.711 176.519 -0.414 0.000 1.230 567 W CA 0.638 57.449 57.345 -0.889 0.000 1.287 567 W CB -0.933 28.141 29.460 -0.644 0.000 1.108 567 W HN 0.207 nan 8.180 nan 0.000 0.567 568 K N 0.578 120.343 120.400 -1.059 0.000 2.103 568 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 568 K C 0.367 176.699 176.600 -0.447 0.000 1.052 568 K CA 1.043 56.758 56.287 -0.954 0.000 0.945 568 K CB -0.219 31.654 32.500 -1.047 0.000 0.722 568 K HN -0.087 nan 8.250 nan 0.000 0.443 569 N N -0.042 118.444 118.700 -0.358 0.000 2.727 569 N HA 0.163 4.903 4.740 -0.000 0.000 0.252 569 N C -2.571 172.856 175.510 -0.137 0.000 1.283 569 N CA -1.955 50.975 53.050 -0.199 0.000 0.782 569 N CB 1.361 39.747 38.487 -0.169 0.000 1.199 569 N HN -0.233 nan 8.380 nan 0.000 0.520 570 P HA -0.017 nan 4.420 nan 0.000 0.225 570 P C 0.694 178.016 177.300 0.036 0.000 1.148 570 P CA 0.881 63.991 63.100 0.015 0.000 0.779 570 P CB 0.370 32.160 31.700 0.151 0.000 0.780 571 S N -0.718 114.987 115.700 0.007 0.000 2.481 571 S HA 0.091 4.561 4.470 -0.000 0.000 0.231 571 S C 1.209 175.806 174.600 -0.005 0.000 0.996 571 S CA 0.373 58.579 58.200 0.010 0.000 0.942 571 S CB -0.672 62.529 63.200 0.000 0.000 0.768 571 S HN 0.193 nan 8.310 nan 0.000 0.520 572 A N 2.168 124.971 122.820 -0.027 0.000 2.462 572 A HA 0.269 4.589 4.320 -0.000 0.000 0.243 572 A C 0.427 178.002 177.584 -0.014 0.000 1.076 572 A CA -0.311 51.708 52.037 -0.031 0.000 0.773 572 A CB 0.099 19.066 19.000 -0.056 0.000 1.010 572 A HN 0.311 nan 8.150 nan 0.000 0.493 573 K N 1.362 121.758 120.400 -0.006 0.000 2.489 573 K HA 0.049 4.369 4.320 -0.000 0.000 0.278 573 K C -0.635 175.974 176.600 0.014 0.000 1.000 573 K CA 0.403 56.694 56.287 0.007 0.000 1.012 573 K CB 0.212 32.722 32.500 0.017 0.000 0.903 573 K HN 0.679 nan 8.250 nan 0.000 0.485 574 Q N 3.733 123.542 119.800 0.016 0.000 2.327 574 Q HA 0.037 4.377 4.340 -0.000 0.000 0.270 574 Q C -0.034 176.005 176.000 0.065 0.000 1.022 574 Q CA -0.317 55.504 55.803 0.030 0.000 0.773 574 Q CB 1.317 30.048 28.738 -0.013 0.000 1.251 574 Q HN 0.704 nan 8.270 nan 0.000 0.457 575 Y N 3.082 123.373 120.300 -0.015 0.000 2.207 575 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 575 Y C 1.356 177.235 175.900 -0.034 0.000 1.156 575 Y CA 2.055 60.144 58.100 -0.018 0.000 1.182 575 Y CB 0.397 38.841 38.460 -0.027 0.000 0.979 575 Y HN 0.674 nan 8.280 nan 0.000 0.521 576 H N -0.508 118.475 119.070 -0.145 0.000 2.524 576 H HA 0.118 4.674 4.556 -0.000 0.000 0.280 576 H C 1.818 176.964 175.328 -0.303 0.000 1.018 576 H CA 0.285 56.091 56.048 -0.404 0.000 1.165 576 H CB 0.313 29.701 29.762 -0.624 0.000 1.411 576 H HN 0.382 nan 8.280 nan 0.000 0.569 577 R N 0.295 120.680 120.500 -0.191 0.000 1.963 577 R HA 0.069 4.409 4.340 -0.000 0.000 0.193 577 R C 0.192 176.232 176.300 -0.434 0.000 1.437 577 R CA 0.389 56.219 56.100 -0.450 0.000 1.176 577 R CB 0.383 30.417 30.300 -0.443 0.000 0.864 577 R HN 0.024 nan 8.270 nan 0.000 0.495 578 S N -1.569 113.952 115.700 -0.297 0.000 2.564 578 S HA 0.189 4.659 4.470 -0.000 0.000 0.274 578 S C 0.393 174.968 174.600 -0.042 0.000 1.124 578 S CA -0.316 57.802 58.200 -0.136 0.000 0.869 578 S CB 1.820 64.980 63.200 -0.066 0.000 1.105 578 S HN 0.506 nan 8.310 nan 0.000 0.472 579 S N 2.118 117.811 115.700 -0.011 0.000 2.453 579 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 579 S C 1.088 175.723 174.600 0.059 0.000 1.005 579 S CA 0.779 58.992 58.200 0.020 0.000 0.949 579 S CB -0.413 62.791 63.200 0.007 0.000 0.774 579 S HN 0.769 nan 8.310 nan 0.000 0.510 580 S N 1.176 116.941 115.700 0.109 0.000 2.563 580 S HA 0.044 4.514 4.470 -0.000 0.000 0.284 580 S C 0.660 175.279 174.600 0.032 0.000 1.331 580 S CA -0.311 57.957 58.200 0.114 0.000 1.047 580 S CB 0.265 63.623 63.200 0.264 0.000 0.859 580 S HN 0.351 nan 8.310 nan 0.000 0.514 581 D N 2.933 123.324 120.400 -0.015 0.000 2.162 581 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 581 D C 1.864 178.084 176.300 -0.135 0.000 0.967 581 D CA 1.264 55.237 54.000 -0.046 0.000 0.840 581 D CB -0.510 40.275 40.800 -0.026 0.000 0.972 581 D HN 0.675 nan 8.370 nan 0.000 0.482 582 T N 0.188 114.570 114.554 -0.287 0.000 2.788 582 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 582 T C 0.853 175.113 174.700 -0.733 0.000 1.044 582 T CA 0.828 62.531 62.100 -0.660 0.000 1.139 582 T CB -0.119 68.110 68.868 -1.066 0.000 0.867 582 T HN 0.091 nan 8.240 nan 0.000 0.454 583 F N 0.347 120.258 119.950 -0.065 0.000 2.855 583 F HA 0.512 5.039 4.527 -0.000 0.000 0.317 583 F C 1.642 177.357 175.800 -0.141 0.000 1.169 583 F CA -1.362 56.581 58.000 -0.095 0.000 1.299 583 F CB -0.131 38.813 39.000 -0.094 0.000 0.962 583 F HN 0.070 nan 8.300 nan 0.000 0.506 584 G N 0.057 108.860 108.800 0.005 0.000 2.603 584 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 584 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 584 G C 0.562 175.450 174.900 -0.020 0.000 1.140 584 G CA 0.285 45.377 45.100 -0.014 0.000 0.800 584 G HN 0.416 nan 8.290 nan 0.000 0.533 585 N N -1.024 117.675 118.700 -0.002 0.000 2.701 585 N HA 0.439 5.179 4.740 -0.000 0.000 0.290 585 N C -0.082 175.454 175.510 0.044 0.000 1.338 585 N CA -1.028 52.029 53.050 0.012 0.000 0.799 585 N CB 0.666 39.165 38.487 0.021 0.000 1.491 585 N HN -0.101 nan 8.380 nan 0.000 0.540 586 L N -0.626 120.645 121.223 0.080 0.000 3.017 586 L HA 0.387 4.727 4.340 -0.000 0.000 0.255 586 L C 1.728 178.740 176.870 0.236 0.000 1.247 586 L CA -0.331 54.612 54.840 0.172 0.000 1.038 586 L CB -0.138 42.052 42.059 0.219 0.000 1.380 586 L HN 0.653 nan 8.230 nan 0.000 0.548 587 K N 1.434 121.923 120.400 0.149 0.000 1.973 587 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 587 K C 1.995 178.672 176.600 0.127 0.000 1.047 587 K CA 1.478 57.835 56.287 0.116 0.000 0.937 587 K CB -0.013 32.526 32.500 0.064 0.000 0.721 587 K HN 0.295 nan 8.250 nan 0.000 0.440 588 L N 0.353 121.646 121.223 0.118 0.000 2.051 588 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 588 L C 2.510 179.481 176.870 0.168 0.000 1.076 588 L CA 1.491 56.393 54.840 0.104 0.000 0.758 588 L CB -0.547 41.523 42.059 0.019 0.000 0.890 588 L HN 0.275 nan 8.230 nan 0.000 0.433 589 F N 0.753 120.758 119.950 0.092 0.000 2.084 589 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 589 F C 2.286 178.087 175.800 0.002 0.000 1.111 589 F CA 1.590 59.618 58.000 0.047 0.000 1.224 589 F CB -0.660 38.426 39.000 0.143 0.000 0.991 589 F HN -0.048 nan 8.300 nan 0.000 0.471 590 G N -0.369 108.525 108.800 0.156 0.000 2.432 590 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 590 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 590 G C 1.258 176.135 174.900 -0.037 0.000 1.135 590 G CA 1.072 46.239 45.100 0.112 0.000 0.767 590 G HN 0.339 nan 8.290 nan 0.000 0.550 591 D N 0.878 121.253 120.400 -0.041 0.000 2.097 591 D HA 0.014 4.654 4.640 -0.000 0.000 0.197 591 D C 2.792 178.986 176.300 -0.177 0.000 0.984 591 D CA 1.264 55.217 54.000 -0.079 0.000 0.826 591 D CB -0.375 40.413 40.800 -0.020 0.000 0.973 591 D HN 0.291 nan 8.370 nan 0.000 0.460 592 A N 0.118 122.806 122.820 -0.220 0.000 2.014 592 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 592 A C 2.090 179.499 177.584 -0.292 0.000 1.163 592 A CA 0.553 52.436 52.037 -0.256 0.000 0.652 592 A CB -0.492 18.172 19.000 -0.559 0.000 0.808 592 A HN 0.204 nan 8.150 nan 0.000 0.449 593 L N -0.465 120.513 121.223 -0.408 0.000 2.027 593 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 593 L C 2.554 179.389 176.870 -0.059 0.000 1.074 593 L CA 2.561 57.225 54.840 -0.293 0.000 0.745 593 L CB -0.723 41.008 42.059 -0.545 0.000 0.898 593 L HN 0.340 nan 8.230 nan 0.000 0.433 594 T N -0.647 113.861 114.554 -0.075 0.000 2.746 594 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 594 T C 1.867 176.526 174.700 -0.067 0.000 1.039 594 T CA 1.621 63.706 62.100 -0.024 0.000 1.142 594 T CB -0.091 68.764 68.868 -0.021 0.000 0.866 594 T HN 0.307 nan 8.240 nan 0.000 0.444 595 K N 0.391 120.684 120.400 -0.178 0.000 2.228 595 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 595 K C 2.540 179.078 176.600 -0.103 0.000 1.051 595 K CA 0.742 56.870 56.287 -0.266 0.000 0.960 595 K CB 0.063 32.106 32.500 -0.762 0.000 0.743 595 K HN 0.229 nan 8.250 nan 0.000 0.458 596 R N -0.770 119.722 120.500 -0.013 0.000 2.087 596 R HA 0.037 4.377 4.340 -0.000 0.000 0.216 596 R C 1.286 177.521 176.300 -0.108 0.000 1.114 596 R CA 0.920 57.028 56.100 0.014 0.000 1.002 596 R CB 0.061 30.421 30.300 0.100 0.000 0.903 596 R HN 0.178 nan 8.270 nan 0.000 0.445 597 Y N 0.223 120.517 120.300 -0.010 0.000 2.458 597 Y HA 0.302 4.852 4.550 -0.000 0.000 0.256 597 Y C 0.758 176.673 175.900 0.025 0.000 1.159 597 Y CA 0.191 58.295 58.100 0.007 0.000 1.261 597 Y CB 1.121 39.572 38.460 -0.015 0.000 1.119 597 Y HN 0.220 nan 8.280 nan 0.000 0.524 598 G N 0.883 109.753 108.800 0.117 0.000 2.722 598 G HA2 0.044 4.004 3.960 -0.000 0.000 0.686 598 G HA3 0.044 4.004 3.960 -0.000 0.000 0.686 598 G C -0.142 174.817 174.900 0.097 0.000 1.282 598 G CA -0.964 44.187 45.100 0.086 0.000 0.817 598 G HN 0.544 nan 8.290 nan 0.000 0.605 599 A N 1.523 124.389 122.820 0.076 0.000 2.555 599 A HA 0.549 4.869 4.320 -0.000 0.000 0.233 599 A C 1.209 178.876 177.584 0.138 0.000 1.060 599 A CA 1.279 53.377 52.037 0.102 0.000 0.759 599 A CB 0.144 19.196 19.000 0.085 0.000 0.995 599 A HN 2.005 nan 8.150 nan 0.000 0.506 600 S N 0.563 116.388 115.700 0.209 0.000 2.545 600 S HA 0.407 4.877 4.470 -0.000 0.000 0.275 600 S C 1.254 175.958 174.600 0.174 0.000 1.299 600 S CA 0.033 58.361 58.200 0.212 0.000 1.048 600 S CB 1.437 64.868 63.200 0.385 0.000 0.938 600 S HN 1.093 nan 8.310 nan 0.000 0.496 601 A N 3.142 125.953 122.820 -0.015 0.000 2.095 601 A HA 0.255 4.575 4.320 -0.000 0.000 0.212 601 A C 0.616 178.012 177.584 -0.315 0.000 1.162 601 A CA 0.434 52.437 52.037 -0.057 0.000 0.753 601 A CB -0.335 18.623 19.000 -0.069 0.000 0.840 601 A HN 0.902 nan 8.150 nan 0.000 0.468 602 N N -3.747 114.465 118.700 -0.814 0.000 3.413 602 N HA 0.126 4.866 4.740 -0.000 0.000 0.273 602 N C -0.131 174.426 175.510 -1.588 0.000 1.458 602 N CA -0.196 51.952 53.050 -1.503 0.000 0.860 602 N CB -0.117 37.985 38.487 -0.641 0.000 1.556 602 N HN -0.020 nan 8.380 nan 0.000 0.475 603 L N 0.426 120.786 121.223 -1.439 0.000 2.012 603 L HA 0.055 4.395 4.340 -0.000 0.000 0.210 603 L C 1.290 177.979 176.870 -0.303 0.000 1.073 603 L CA 2.073 56.440 54.840 -0.787 0.000 0.748 603 L CB -1.173 40.679 42.059 -0.344 0.000 0.891 603 L HN 0.624 nan 8.230 nan 0.000 0.431 604 N N -0.014 118.514 118.700 -0.287 0.000 2.094 604 N HA -0.235 4.505 4.740 -0.000 0.000 0.191 604 N C 1.640 177.039 175.510 -0.185 0.000 1.023 604 N CA 1.683 54.618 53.050 -0.191 0.000 0.857 604 N CB -0.598 37.771 38.487 -0.198 0.000 1.013 604 N HN 0.481 nan 8.380 nan 0.000 0.426 605 D N -0.326 119.936 120.400 -0.231 0.000 2.178 605 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 605 D C 1.663 177.938 176.300 -0.042 0.000 0.974 605 D CA 0.433 54.332 54.000 -0.168 0.000 0.841 605 D CB -0.147 40.552 40.800 -0.168 0.000 0.953 605 D HN 0.197 nan 8.370 nan 0.000 0.478 606 F N 0.025 119.878 119.950 -0.162 0.000 2.128 606 F HA -0.075 4.452 4.527 -0.000 0.000 0.295 606 F C 2.063 177.868 175.800 0.007 0.000 1.100 606 F CA 0.914 58.899 58.000 -0.025 0.000 1.260 606 F CB -0.284 38.756 39.000 0.067 0.000 1.009 606 F HN -0.158 nan 8.300 nan 0.000 0.476 607 V N 2.630 122.573 119.914 0.049 0.000 2.307 607 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 607 V C 2.677 178.726 176.094 -0.075 0.000 1.045 607 V CA 2.190 64.481 62.300 -0.015 0.000 1.024 607 V CB -1.007 30.850 31.823 0.056 0.000 0.651 607 V HN 0.412 nan 8.190 nan 0.000 0.449 608 R N 0.901 121.362 120.500 -0.066 0.000 2.120 608 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 608 R C 2.087 178.400 176.300 0.023 0.000 1.123 608 R CA 1.856 57.945 56.100 -0.017 0.000 0.975 608 R CB -0.426 29.807 30.300 -0.113 0.000 0.866 608 R HN 0.409 nan 8.270 nan 0.000 0.446 609 K N 0.536 120.890 120.400 -0.077 0.000 2.076 609 K HA 0.088 4.408 4.320 -0.000 0.000 0.204 609 K C 2.316 178.624 176.600 -0.487 0.000 1.051 609 K CA 0.976 57.093 56.287 -0.284 0.000 0.949 609 K CB -0.085 32.274 32.500 -0.234 0.000 0.726 609 K HN 0.260 nan 8.250 nan 0.000 0.443 610 A N 1.617 124.213 122.820 -0.374 0.000 1.892 610 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 610 A C 2.072 179.626 177.584 -0.049 0.000 1.188 610 A CA 1.562 53.505 52.037 -0.157 0.000 0.631 610 A CB -0.468 18.445 19.000 -0.144 0.000 0.822 610 A HN 0.208 nan 8.150 nan 0.000 0.447 611 Q N -0.107 119.648 119.800 -0.075 0.000 2.061 611 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 611 Q C 2.235 178.203 176.000 -0.054 0.000 0.984 611 Q CA 1.395 57.198 55.803 0.000 0.000 0.846 611 Q CB -0.733 28.032 28.738 0.045 0.000 0.902 611 Q HN 0.732 nan 8.270 nan 0.000 0.421 612 L N 0.119 121.148 121.223 -0.323 0.000 1.994 612 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 612 L C 2.608 179.584 176.870 0.176 0.000 1.071 612 L CA 1.476 56.123 54.840 -0.322 0.000 0.745 612 L CB -0.707 40.932 42.059 -0.700 0.000 0.892 612 L HN 0.224 nan 8.230 nan 0.000 0.431 613 S N -0.661 114.965 115.700 -0.124 0.000 2.370 613 S HA -0.260 4.210 4.470 -0.000 0.000 0.226 613 S C 1.934 176.774 174.600 0.399 0.000 1.033 613 S CA 1.618 59.948 58.200 0.217 0.000 1.011 613 S CB -0.051 63.146 63.200 -0.004 0.000 0.852 613 S HN 0.421 nan 8.310 nan 0.000 0.457 614 Q N -1.039 118.959 119.800 0.330 0.000 2.046 614 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 614 Q C 1.894 178.093 176.000 0.332 0.000 0.975 614 Q CA 1.881 57.886 55.803 0.336 0.000 0.836 614 Q CB -0.368 28.520 28.738 0.251 0.000 0.896 614 Q HN 0.775 nan 8.270 nan 0.000 0.428 615 Y N 1.585 122.037 120.300 0.254 0.000 2.049 615 Y HA -0.326 4.224 4.550 -0.000 0.000 0.277 615 Y C 2.400 178.457 175.900 0.263 0.000 1.143 615 Y CA 2.060 60.332 58.100 0.288 0.000 1.115 615 Y CB -0.059 38.656 38.460 0.424 0.000 0.975 615 Y HN 0.124 nan 8.280 nan 0.000 0.487 616 E N -0.089 120.491 120.200 0.633 0.000 2.108 616 E HA -0.349 4.001 4.350 -0.000 0.000 0.203 616 E C 2.055 178.822 176.600 0.279 0.000 1.022 616 E CA 1.741 58.361 56.400 0.368 0.000 0.823 616 E CB -0.367 29.614 29.700 0.468 0.000 0.744 616 E HN 0.501 nan 8.360 nan 0.000 0.456 617 N N -0.177 118.720 118.700 0.328 0.000 2.148 617 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 617 N C 2.033 177.654 175.510 0.186 0.000 1.031 617 N CA 1.235 54.476 53.050 0.318 0.000 0.848 617 N CB -0.026 38.700 38.487 0.398 0.000 1.005 617 N HN 0.047 nan 8.380 nan 0.000 0.427 618 V N 2.298 122.290 119.914 0.131 0.000 2.287 618 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 618 V C 2.707 178.796 176.094 -0.009 0.000 1.053 618 V CA 1.833 64.131 62.300 -0.004 0.000 1.027 618 V CB -0.654 31.101 31.823 -0.112 0.000 0.646 618 V HN 0.369 nan 8.190 nan 0.000 0.447 619 R N 0.514 120.992 120.500 -0.037 0.000 2.097 619 R HA -0.243 4.097 4.340 -0.000 0.000 0.236 619 R C 2.346 178.721 176.300 0.126 0.000 1.135 619 R CA 2.164 58.253 56.100 -0.018 0.000 0.934 619 R CB -0.644 29.585 30.300 -0.119 0.000 0.846 619 R HN 0.458 nan 8.270 nan 0.000 0.431 620 A N 0.940 123.891 122.820 0.217 0.000 1.908 620 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 620 A C 2.082 179.674 177.584 0.014 0.000 1.181 620 A CA 1.901 54.149 52.037 0.352 0.000 0.627 620 A CB -0.777 18.536 19.000 0.521 0.000 0.818 620 A HN 0.711 nan 8.150 nan 0.000 0.445 621 E N -1.378 118.572 120.200 -0.416 0.000 2.070 621 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 621 E C 1.661 177.956 176.600 -0.509 0.000 1.004 621 E CA 1.735 57.483 56.400 -1.088 0.000 0.805 621 E CB -0.262 28.486 29.700 -1.587 0.000 0.744 621 E HN 0.615 nan 8.360 nan 0.000 0.451 622 F N 0.903 120.686 119.950 -0.278 0.000 2.187 622 F HA 0.022 4.549 4.527 -0.000 0.000 0.295 622 F C 2.330 178.084 175.800 -0.077 0.000 1.091 622 F CA 1.115 59.000 58.000 -0.192 0.000 1.308 622 F CB -0.057 38.802 39.000 -0.234 0.000 1.030 622 F HN 0.036 nan 8.300 nan 0.000 0.487 623 E N -0.025 120.275 120.200 0.166 0.000 2.051 623 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 623 E C 2.349 179.009 176.600 0.100 0.000 0.991 623 E CA 1.689 58.210 56.400 0.203 0.000 0.799 623 E CB -0.271 29.640 29.700 0.353 0.000 0.748 623 E HN 0.390 nan 8.360 nan 0.000 0.449 624 S N 0.595 116.182 115.700 -0.188 0.000 2.359 624 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 624 S C 1.796 176.244 174.600 -0.254 0.000 1.035 624 S CA 1.614 59.456 58.200 -0.597 0.000 1.018 624 S CB -0.667 61.817 63.200 -1.194 0.000 0.876 624 S HN 0.333 nan 8.310 nan 0.000 0.448 625 H N 1.157 120.126 119.070 -0.167 0.000 2.389 625 H HA 0.148 4.704 4.556 -0.000 0.000 0.299 625 H C 2.566 177.892 175.328 -0.003 0.000 1.081 625 H CA 1.488 57.476 56.048 -0.100 0.000 1.345 625 H CB -0.361 29.278 29.762 -0.204 0.000 1.393 625 H HN 0.376 nan 8.280 nan 0.000 0.520 626 S N -0.285 115.494 115.700 0.133 0.000 2.368 626 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 626 S C 2.112 176.819 174.600 0.177 0.000 1.030 626 S CA 1.071 59.352 58.200 0.135 0.000 0.999 626 S CB -0.021 63.256 63.200 0.128 0.000 0.844 626 S HN 0.383 nan 8.310 nan 0.000 0.459 627 R N 1.170 121.761 120.500 0.151 0.000 2.073 627 R HA 0.026 4.366 4.340 -0.000 0.000 0.229 627 R C 1.026 177.409 176.300 0.138 0.000 1.120 627 R CA 1.314 57.507 56.100 0.155 0.000 0.967 627 R CB -0.185 30.226 30.300 0.185 0.000 0.862 627 R HN 0.255 nan 8.270 nan 0.000 0.436 628 N N -0.009 118.759 118.700 0.114 0.000 2.461 628 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 628 N C 0.927 176.522 175.510 0.142 0.000 1.134 628 N CA 0.319 53.428 53.050 0.099 0.000 0.878 628 N CB -0.198 38.323 38.487 0.057 0.000 0.972 628 N HN 0.306 nan 8.380 nan 0.000 0.456 629 Y N 1.912 122.243 120.300 0.052 0.000 2.274 629 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 629 Y C 1.651 177.588 175.900 0.062 0.000 1.145 629 Y CA 1.456 59.593 58.100 0.061 0.000 1.203 629 Y CB -0.467 38.029 38.460 0.061 0.000 0.984 629 Y HN 0.073 nan 8.280 nan 0.000 0.533 630 T N -2.241 112.266 114.554 -0.078 0.000 3.145 630 T HA 0.154 4.504 4.350 -0.000 0.000 0.255 630 T C -0.046 174.610 174.700 -0.075 0.000 1.039 630 T CA -0.289 61.710 62.100 -0.168 0.000 0.928 630 T CB -0.373 68.444 68.868 -0.085 0.000 1.029 630 T HN 0.013 nan 8.240 nan 0.000 0.554 631 D N 2.652 123.035 120.400 -0.028 0.000 2.443 631 D HA 0.123 4.763 4.640 -0.000 0.000 0.239 631 D C 1.376 177.659 176.300 -0.028 0.000 1.136 631 D CA 0.137 54.130 54.000 -0.012 0.000 0.879 631 D CB 1.425 42.234 40.800 0.015 0.000 1.195 631 D HN 0.379 nan 8.370 nan 0.000 0.443 632 S N 0.268 115.953 115.700 -0.025 0.000 2.496 632 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 632 S C 0.762 175.352 174.600 -0.017 0.000 0.996 632 S CA 0.270 58.455 58.200 -0.026 0.000 0.927 632 S CB 0.248 63.434 63.200 -0.024 0.000 0.774 632 S HN 0.323 nan 8.310 nan 0.000 0.524 633 T N 2.977 117.522 114.554 -0.015 0.000 2.847 633 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 633 T C -0.730 173.966 174.700 -0.006 0.000 0.998 633 T CA -0.459 61.630 62.100 -0.017 0.000 0.967 633 T CB 0.918 69.764 68.868 -0.036 0.000 0.954 633 T HN 0.287 nan 8.240 nan 0.000 0.441 634 N N 2.532 121.244 118.700 0.021 0.000 2.756 634 N HA -0.104 4.636 4.740 -0.000 0.000 0.248 634 N C -2.734 172.856 175.510 0.134 0.000 1.062 634 N CA 0.254 53.347 53.050 0.072 0.000 0.696 634 N CB -0.528 37.946 38.487 -0.022 0.000 0.946 634 N HN 0.379 nan 8.380 nan 0.000 0.548 635 P HA 0.106 nan 4.420 nan 0.000 0.272 635 P C -0.259 177.162 177.300 0.203 0.000 1.223 635 P CA -0.149 63.026 63.100 0.124 0.000 0.784 635 P CB 0.595 32.333 31.700 0.062 0.000 0.923 636 S N 0.092 115.912 115.700 0.199 0.000 2.549 636 S HA 0.232 4.702 4.470 -0.000 0.000 0.283 636 S C 1.036 175.791 174.600 0.259 0.000 1.320 636 S CA 0.145 58.462 58.200 0.196 0.000 1.058 636 S CB -0.296 62.984 63.200 0.133 0.000 0.882 636 S HN 0.679 nan 8.310 nan 0.000 0.498 637 T N -1.536 113.124 114.554 0.177 0.000 3.016 637 T HA 0.538 4.888 4.350 -0.000 0.000 0.271 637 T C 0.535 175.181 174.700 -0.091 0.000 0.968 637 T CA 0.125 62.361 62.100 0.226 0.000 0.891 637 T CB 0.192 69.268 68.868 0.348 0.000 1.149 637 T HN 1.215 nan 8.240 nan 0.000 0.524 638 G N 0.897 109.374 108.800 -0.538 0.000 2.667 638 G HA2 0.556 4.516 3.960 -0.000 0.000 0.294 638 G HA3 0.556 4.516 3.960 -0.000 0.000 0.294 638 G C -2.580 171.727 174.900 -0.988 0.000 1.467 638 G CA -0.803 43.544 45.100 -1.255 0.000 0.852 638 G HN 0.441 nan 8.290 nan 0.000 0.521 639 L N 1.770 122.529 121.223 -0.773 0.000 2.482 639 L HA 0.717 5.057 4.340 -0.000 0.000 0.269 639 L C -1.332 175.282 176.870 -0.427 0.000 0.967 639 L CA -0.808 53.594 54.840 -0.730 0.000 0.851 639 L CB 1.634 43.076 42.059 -1.029 0.000 1.242 639 L HN 0.414 nan 8.230 nan 0.000 0.404 640 I N 5.422 125.820 120.570 -0.288 0.000 2.359 640 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 640 I C -0.526 175.538 176.117 -0.089 0.000 1.018 640 I CA -0.537 60.723 61.300 -0.067 0.000 1.173 640 I CB 0.941 38.995 38.000 0.090 0.000 1.326 640 I HN 0.651 nan 8.210 nan 0.000 0.462 641 Y N 6.259 126.449 120.300 -0.182 0.000 2.620 641 Y HA -0.046 4.504 4.550 -0.000 0.000 0.330 641 Y C -0.063 175.813 175.900 -0.040 0.000 1.186 641 Y CA 0.261 58.249 58.100 -0.187 0.000 1.467 641 Y CB 0.602 39.010 38.460 -0.086 0.000 1.262 641 Y HN 0.547 nan 8.280 nan 0.000 0.550 642 W N 10.590 131.295 121.300 -0.992 0.000 2.316 642 W HA 0.383 5.043 4.660 -0.000 0.000 0.339 642 W C -1.417 174.528 176.519 -0.958 0.000 1.002 642 W CA -0.620 56.181 57.345 -0.907 0.000 1.465 642 W CB 0.488 29.380 29.460 -0.948 0.000 1.300 642 W HN 0.634 nan 8.180 nan 0.000 0.378 643 M N 3.178 122.393 119.600 -0.643 0.000 2.719 643 M HA 0.173 4.653 4.480 -0.000 0.000 0.291 643 M C 0.829 176.997 176.300 -0.219 0.000 1.264 643 M CA -0.819 54.039 55.300 -0.737 0.000 0.811 643 M CB 2.142 33.963 32.600 -1.300 0.000 1.756 643 M HN 0.246 nan 8.290 nan 0.000 0.464 644 L N 1.678 122.740 121.223 -0.268 0.000 2.093 644 L HA -0.028 4.311 4.340 -0.000 0.000 0.208 644 L C 0.421 176.990 176.870 -0.502 0.000 1.085 644 L CA 1.632 56.358 54.840 -0.190 0.000 0.755 644 L CB -0.083 41.940 42.059 -0.059 0.000 0.904 644 L HN 0.867 nan 8.230 nan 0.000 0.435 645 N N -2.703 115.636 118.700 -0.601 0.000 3.106 645 N HA 0.213 4.953 4.740 -0.000 0.000 0.253 645 N C -1.340 173.860 175.510 -0.517 0.000 1.506 645 N CA -0.314 52.283 53.050 -0.754 0.000 0.876 645 N CB 1.186 39.029 38.487 -1.073 0.000 1.452 645 N HN -0.099 nan 8.380 nan 0.000 0.542 646 S N -1.273 114.196 115.700 -0.386 0.000 2.607 646 S HA 0.655 5.124 4.470 -0.000 0.000 0.303 646 S C -2.091 172.382 174.600 -0.212 0.000 1.086 646 S CA -1.685 56.368 58.200 -0.245 0.000 0.995 646 S CB 1.196 64.316 63.200 -0.133 0.000 1.084 646 S HN 0.434 nan 8.310 nan 0.000 0.507 647 P HA 0.136 nan 4.420 nan 0.000 0.233 647 P C -0.318 176.814 177.300 -0.280 0.000 1.167 647 P CA 0.709 63.618 63.100 -0.319 0.000 0.770 647 P CB 0.050 31.340 31.700 -0.683 0.000 0.837 648 W N -2.083 118.864 121.300 -0.588 0.000 2.798 648 W HA 0.319 4.978 4.660 -0.000 0.000 0.434 648 W C -1.318 174.686 176.519 -0.859 0.000 1.055 648 W CA -0.646 56.086 57.345 -1.020 0.000 1.205 648 W CB -0.696 28.212 29.460 -0.920 0.000 1.460 648 W HN -0.350 nan 8.180 nan 0.000 0.609 649 T N 1.410 115.225 114.554 -1.232 0.000 2.751 649 T HA 0.440 4.790 4.350 -0.000 0.000 0.290 649 T C -0.128 174.002 174.700 -0.951 0.000 0.919 649 T CA 0.198 61.730 62.100 -0.947 0.000 1.136 649 T CB 0.686 69.090 68.868 -0.774 0.000 0.875 649 T HN 0.703 nan 8.240 nan 0.000 0.532 650 S N 2.259 117.634 115.700 -0.543 0.000 2.671 650 S HA 0.649 5.119 4.470 -0.000 0.000 0.299 650 S C 0.293 174.767 174.600 -0.211 0.000 1.116 650 S CA -1.055 56.934 58.200 -0.352 0.000 0.912 650 S CB 1.168 64.309 63.200 -0.099 0.000 1.130 650 S HN 0.723 nan 8.310 nan 0.000 0.501 651 L N 1.989 123.118 121.223 -0.156 0.000 2.906 651 L HA 0.423 4.763 4.340 -0.000 0.000 0.255 651 L C 0.271 177.091 176.870 -0.083 0.000 1.166 651 L CA -0.222 54.539 54.840 -0.132 0.000 0.977 651 L CB -0.169 41.801 42.059 -0.148 0.000 1.313 651 L HN 0.812 nan 8.230 nan 0.000 0.549 652 H N -6.081 112.856 119.070 -0.222 0.000 2.990 652 H HA 0.219 4.775 4.556 -0.000 0.000 0.336 652 H C -1.096 174.174 175.328 -0.097 0.000 1.306 652 H CA -1.153 54.740 56.048 -0.258 0.000 1.118 652 H CB 0.770 30.187 29.762 -0.575 0.000 1.856 652 H HN -0.087 nan 8.280 nan 0.000 0.538 653 W N 1.597 122.744 121.300 -0.255 0.000 6.486 653 W HA -0.204 4.456 4.660 -0.000 0.000 0.411 653 W C -0.833 175.491 176.519 -0.325 0.000 1.595 653 W CA 1.216 58.295 57.345 -0.442 0.000 1.075 653 W CB -2.205 26.728 29.460 -0.878 0.000 2.798 653 W HN 0.869 nan 8.180 nan 0.000 1.534 654 Q N -2.044 117.811 119.800 0.092 0.000 2.416 654 Q HA 0.712 5.052 4.340 -0.000 0.000 0.281 654 Q C -0.051 175.967 176.000 0.032 0.000 1.067 654 Q CA -1.054 54.730 55.803 -0.032 0.000 0.809 654 Q CB 1.524 30.191 28.738 -0.118 0.000 1.418 654 Q HN 0.169 nan 8.270 nan 0.000 0.411 655 L N 0.307 121.475 121.223 -0.091 0.000 2.379 655 L HA 0.306 4.646 4.340 -0.000 0.000 0.190 655 L C 0.642 177.630 176.870 0.196 0.000 1.111 655 L CA 0.327 55.140 54.840 -0.044 0.000 0.820 655 L CB 0.183 42.159 42.059 -0.138 0.000 1.046 655 L HN 0.672 nan 8.230 nan 0.000 0.485 656 F N 0.423 120.514 119.950 0.234 0.000 2.432 656 F HA 0.537 5.064 4.527 -0.000 0.000 0.329 656 F C -0.071 175.782 175.800 0.089 0.000 1.076 656 F CA -1.762 56.372 58.000 0.223 0.000 1.018 656 F CB 0.173 39.416 39.000 0.406 0.000 1.201 656 F HN -0.000 nan 8.300 nan 0.000 0.489 657 D N 1.551 122.088 120.400 0.228 0.000 2.466 657 D HA 0.409 5.049 4.640 -0.000 0.000 0.262 657 D C 1.129 177.475 176.300 0.077 0.000 1.177 657 D CA -0.356 53.673 54.000 0.048 0.000 1.035 657 D CB 0.732 41.534 40.800 0.004 0.000 1.105 657 D HN 0.763 nan 8.370 nan 0.000 0.551 658 A N -0.791 121.930 122.820 -0.165 0.000 2.032 658 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 658 A C 1.356 178.840 177.584 -0.168 0.000 1.165 658 A CA 1.256 53.145 52.037 -0.247 0.000 0.645 658 A CB -1.066 17.570 19.000 -0.607 0.000 0.807 658 A HN 0.601 nan 8.150 nan 0.000 0.453 659 Y N -2.156 118.227 120.300 0.139 0.000 2.485 659 Y HA 0.279 4.829 4.550 -0.000 0.000 0.260 659 Y C 0.858 176.810 175.900 0.086 0.000 1.173 659 Y CA -0.131 58.036 58.100 0.112 0.000 1.252 659 Y CB 0.206 38.715 38.460 0.082 0.000 1.123 659 Y HN 0.179 nan 8.280 nan 0.000 0.524 660 M N -0.467 119.277 119.600 0.239 0.000 2.872 660 M HA -0.242 4.238 4.480 -0.000 0.000 0.200 660 M C -0.683 175.764 176.300 0.244 0.000 0.582 660 M CA 0.494 55.913 55.300 0.200 0.000 0.706 660 M CB -1.951 30.602 32.600 -0.078 0.000 2.560 660 M HN 0.271 nan 8.290 nan 0.000 0.476 661 D N 1.325 121.840 120.400 0.192 0.000 2.329 661 D HA 0.533 5.173 4.640 -0.000 0.000 0.246 661 D C 0.051 176.309 176.300 -0.070 0.000 1.111 661 D CA 0.331 54.372 54.000 0.069 0.000 0.941 661 D CB 0.726 41.578 40.800 0.087 0.000 1.169 661 D HN 0.377 nan 8.370 nan 0.000 0.441 662 Q N 1.441 121.095 119.800 -0.244 0.000 2.310 662 Q HA 0.330 4.670 4.340 -0.000 0.000 0.270 662 Q C -0.310 175.360 176.000 -0.550 0.000 1.025 662 Q CA -0.957 54.495 55.803 -0.585 0.000 0.772 662 Q CB 1.710 29.854 28.738 -0.991 0.000 1.253 662 Q HN 0.459 nan 8.270 nan 0.000 0.450 663 N N 0.443 118.905 118.700 -0.397 0.000 2.938 663 N HA 0.321 5.061 4.740 -0.000 0.000 0.335 663 N C 0.941 176.348 175.510 -0.172 0.000 1.358 663 N CA -0.204 52.707 53.050 -0.231 0.000 0.812 663 N CB -0.268 38.192 38.487 -0.044 0.000 1.233 663 N HN 0.455 nan 8.380 nan 0.000 0.593 664 G N -0.566 108.317 108.800 0.138 0.000 2.442 664 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 664 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 664 G C 1.379 176.461 174.900 0.303 0.000 1.141 664 G CA 1.714 47.048 45.100 0.389 0.000 0.763 664 G HN 0.806 nan 8.290 nan 0.000 0.554 665 A N 0.119 123.023 122.820 0.140 0.000 1.858 665 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 665 A C 2.174 179.726 177.584 -0.054 0.000 1.190 665 A CA 1.716 53.776 52.037 0.038 0.000 0.617 665 A CB -0.860 18.152 19.000 0.019 0.000 0.827 665 A HN 0.438 nan 8.150 nan 0.000 0.443 666 Y N -0.668 119.531 120.300 -0.168 0.000 2.040 666 Y HA -0.347 4.203 4.550 -0.000 0.000 0.275 666 Y C 2.355 178.175 175.900 -0.133 0.000 1.171 666 Y CA 2.550 60.527 58.100 -0.205 0.000 1.123 666 Y CB -0.482 37.799 38.460 -0.299 0.000 0.963 666 Y HN 0.415 nan 8.280 nan 0.000 0.493 667 Y N -0.497 119.932 120.300 0.214 0.000 2.224 667 Y HA -0.069 4.481 4.550 -0.000 0.000 0.289 667 Y C 2.651 178.424 175.900 -0.211 0.000 1.146 667 Y CA 0.787 58.976 58.100 0.148 0.000 1.182 667 Y CB -1.404 37.277 38.460 0.369 0.000 0.983 667 Y HN 0.201 nan 8.280 nan 0.000 0.524 668 G N -0.450 108.161 108.800 -0.315 0.000 2.422 668 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 668 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 668 G C 1.937 176.539 174.900 -0.496 0.000 1.146 668 G CA 1.090 45.672 45.100 -0.863 0.000 0.769 668 G HN 0.472 nan 8.290 nan 0.000 0.547 669 A N 0.601 123.172 122.820 -0.416 0.000 1.897 669 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 669 A C 2.191 179.425 177.584 -0.583 0.000 1.181 669 A CA 2.030 53.728 52.037 -0.566 0.000 0.620 669 A CB -0.398 18.209 19.000 -0.655 0.000 0.821 669 A HN 0.388 nan 8.150 nan 0.000 0.443 670 K N -0.074 120.055 120.400 -0.451 0.000 2.032 670 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 670 K C 2.157 178.598 176.600 -0.266 0.000 1.048 670 K CA 2.006 58.094 56.287 -0.331 0.000 0.927 670 K CB -0.149 32.271 32.500 -0.134 0.000 0.712 670 K HN 0.266 nan 8.250 nan 0.000 0.441 671 K N 0.731 121.003 120.400 -0.212 0.000 2.032 671 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 671 K C 1.779 178.166 176.600 -0.355 0.000 1.048 671 K CA 1.831 58.037 56.287 -0.134 0.000 0.927 671 K CB -0.659 31.813 32.500 -0.046 0.000 0.712 671 K HN 0.253 nan 8.250 nan 0.000 0.441 672 A N 0.760 123.328 122.820 -0.420 0.000 1.940 672 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 672 A C 1.540 178.722 177.584 -0.670 0.000 1.176 672 A CA 1.800 53.528 52.037 -0.515 0.000 0.631 672 A CB -0.500 18.351 19.000 -0.248 0.000 0.814 672 A HN 0.483 nan 8.150 nan 0.000 0.446 673 N N 0.650 119.023 118.700 -0.545 0.000 2.295 673 N HA 0.059 4.799 4.740 -0.000 0.000 0.221 673 N C -0.595 174.735 175.510 -0.300 0.000 1.129 673 N CA 0.016 52.809 53.050 -0.428 0.000 0.836 673 N CB 0.235 38.421 38.487 -0.502 0.000 1.040 673 N HN 0.621 nan 8.380 nan 0.000 0.494 674 E N 1.384 121.395 120.200 -0.316 0.000 2.413 674 E HA -0.010 4.340 4.350 -0.000 0.000 0.263 674 E C -1.262 175.313 176.600 -0.042 0.000 1.015 674 E CA -1.421 54.913 56.400 -0.111 0.000 0.916 674 E CB 0.910 30.637 29.700 0.046 0.000 0.947 674 E HN 0.143 nan 8.360 nan 0.000 0.440 675 P HA -0.107 nan 4.420 nan 0.000 0.220 675 P C -0.022 177.299 177.300 0.035 0.000 1.148 675 P CA 0.916 64.013 63.100 -0.005 0.000 0.803 675 P CB 0.412 32.103 31.700 -0.015 0.000 0.782 676 L N -0.160 121.103 121.223 0.067 0.000 2.427 676 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 676 L C -1.210 175.746 176.870 0.144 0.000 0.989 676 L CA -1.187 53.704 54.840 0.085 0.000 0.865 676 L CB 0.437 42.528 42.059 0.052 0.000 1.209 676 L HN -0.058 nan 8.230 nan 0.000 0.430 677 H N 3.518 122.610 119.070 0.037 0.000 2.637 677 H HA 0.662 5.218 4.556 -0.000 0.000 0.363 677 H C -1.319 174.053 175.328 0.075 0.000 1.131 677 H CA -0.468 55.612 56.048 0.054 0.000 1.183 677 H CB 2.016 31.806 29.762 0.047 0.000 1.637 677 H HN 0.559 nan 8.280 nan 0.000 0.531 678 I N 4.619 124.879 120.570 -0.516 0.000 2.474 678 I HA 0.331 4.501 4.170 -0.000 0.000 0.294 678 I C -1.217 174.608 176.117 -0.486 0.000 1.005 678 I CA -0.460 60.636 61.300 -0.341 0.000 1.113 678 I CB 1.165 39.092 38.000 -0.122 0.000 1.289 678 I HN 0.807 nan 8.210 nan 0.000 0.436 679 Q N 5.981 125.711 119.800 -0.117 0.000 2.511 679 Q HA 0.347 4.687 4.340 -0.000 0.000 0.289 679 Q C -2.026 173.994 176.000 0.035 0.000 1.021 679 Q CA -0.906 54.967 55.803 0.116 0.000 0.785 679 Q CB 2.504 31.417 28.738 0.291 0.000 1.472 679 Q HN 0.621 nan 8.270 nan 0.000 0.411 680 Y N 0.855 120.969 120.300 -0.311 0.000 2.328 680 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 680 Y C -1.154 174.454 175.900 -0.487 0.000 0.960 680 Y CA -0.559 57.158 58.100 -0.638 0.000 1.134 680 Y CB 1.953 39.586 38.460 -1.377 0.000 1.166 680 Y HN 0.708 nan 8.280 nan 0.000 0.464 681 S N 5.699 120.931 115.700 -0.781 0.000 2.430 681 S HA 0.050 4.520 4.470 -0.000 0.000 0.282 681 S C 0.546 174.449 174.600 -1.162 0.000 1.186 681 S CA -0.342 57.364 58.200 -0.824 0.000 1.060 681 S CB 0.023 62.890 63.200 -0.554 0.000 0.966 681 S HN 0.880 nan 8.310 nan 0.000 0.501 682 H N 2.040 120.565 119.070 -0.908 0.000 2.489 682 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 682 H C 1.867 176.933 175.328 -0.436 0.000 1.082 682 H CA 1.876 57.631 56.048 -0.488 0.000 1.295 682 H CB 0.130 29.812 29.762 -0.133 0.000 1.380 682 H HN 0.693 nan 8.280 nan 0.000 0.548 683 D N 0.082 120.185 120.400 -0.495 0.000 2.144 683 D HA -0.123 4.516 4.640 -0.000 0.000 0.207 683 D C 1.374 177.549 176.300 -0.209 0.000 0.970 683 D CA 1.339 55.200 54.000 -0.230 0.000 0.853 683 D CB -0.473 40.257 40.800 -0.116 0.000 1.007 683 D HN 0.506 nan 8.370 nan 0.000 0.469 684 N N -0.740 117.786 118.700 -0.290 0.000 2.171 684 N HA 0.097 4.837 4.740 -0.000 0.000 0.212 684 N C 0.163 175.506 175.510 -0.278 0.000 1.184 684 N CA -0.186 52.735 53.050 -0.216 0.000 0.888 684 N CB 0.258 38.655 38.487 -0.150 0.000 1.038 684 N HN 0.167 nan 8.380 nan 0.000 0.517 685 R N -1.046 119.156 120.500 -0.498 0.000 3.922 685 R HA -0.168 4.172 4.340 -0.000 0.000 0.447 685 R C -0.459 175.549 176.300 -0.486 0.000 1.035 685 R CA 0.984 56.699 56.100 -0.642 0.000 1.289 685 R CB -2.933 27.253 30.300 -0.189 0.000 1.906 685 R HN 0.533 nan 8.270 nan 0.000 0.540 686 S N 0.496 115.976 115.700 -0.366 0.000 2.560 686 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 686 S C 0.549 175.022 174.600 -0.212 0.000 1.327 686 S CA -0.572 57.502 58.200 -0.211 0.000 1.055 686 S CB 1.770 64.887 63.200 -0.140 0.000 0.868 686 S HN 0.137 nan 8.310 nan 0.000 0.506 687 V N 3.929 123.793 119.914 -0.083 0.000 2.347 687 V HA 0.476 4.596 4.120 -0.000 0.000 0.280 687 V C -0.214 175.870 176.094 -0.017 0.000 1.021 687 V CA -0.566 61.717 62.300 -0.028 0.000 0.847 687 V CB 1.099 32.939 31.823 0.029 0.000 0.990 687 V HN 0.851 nan 8.190 nan 0.000 0.444 688 V N 5.658 125.568 119.914 -0.007 0.000 2.680 688 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 688 V C -0.288 175.824 176.094 0.030 0.000 1.052 688 V CA -0.719 61.594 62.300 0.021 0.000 0.908 688 V CB 2.339 34.190 31.823 0.047 0.000 1.001 688 V HN 0.545 nan 8.190 nan 0.000 0.431 689 V N 5.265 125.202 119.914 0.038 0.000 2.435 689 V HA 0.532 4.652 4.120 -0.000 0.000 0.290 689 V C -0.443 175.699 176.094 0.079 0.000 1.030 689 V CA -0.497 61.829 62.300 0.044 0.000 0.881 689 V CB 1.708 33.551 31.823 0.032 0.000 0.983 689 V HN 0.565 nan 8.190 nan 0.000 0.445 690 I N 4.000 124.638 120.570 0.113 0.000 2.433 690 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 690 I C -0.298 175.885 176.117 0.110 0.000 1.001 690 I CA -0.661 60.717 61.300 0.130 0.000 1.119 690 I CB 1.764 39.868 38.000 0.174 0.000 1.289 690 I HN 0.600 nan 8.210 nan 0.000 0.438 691 N N 5.574 124.327 118.700 0.088 0.000 2.511 691 N HA 0.215 4.955 4.740 -0.000 0.000 0.249 691 N C 0.593 176.137 175.510 0.056 0.000 0.971 691 N CA -0.264 52.825 53.050 0.065 0.000 0.938 691 N CB 1.189 39.706 38.487 0.051 0.000 1.131 691 N HN 0.326 nan 8.380 nan 0.000 0.505 692 Q N 0.547 120.369 119.800 0.036 0.000 2.331 692 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 692 Q C 0.645 176.645 176.000 -0.000 0.000 0.944 692 Q CA 0.482 56.291 55.803 0.011 0.000 0.892 692 Q CB -0.462 28.264 28.738 -0.021 0.000 0.983 692 Q HN 0.792 nan 8.270 nan 0.000 0.482 693 T N -0.966 113.587 114.554 -0.002 0.000 2.701 693 T HA 0.095 4.445 4.350 -0.000 0.000 0.303 693 T C 1.299 175.982 174.700 -0.027 0.000 1.030 693 T CA 0.213 62.299 62.100 -0.024 0.000 1.010 693 T CB 0.794 69.646 68.868 -0.026 0.000 1.007 693 T HN 0.164 nan 8.240 nan 0.000 0.532 694 S N -0.085 115.578 115.700 -0.061 0.000 2.575 694 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 694 S C 0.345 174.905 174.600 -0.067 0.000 0.966 694 S CA -0.697 57.456 58.200 -0.078 0.000 0.911 694 S CB -0.435 62.667 63.200 -0.163 0.000 0.780 694 S HN 0.700 nan 8.310 nan 0.000 0.514 695 N N 1.655 120.325 118.700 -0.050 0.000 2.269 695 N HA 0.583 5.323 4.740 -0.000 0.000 0.304 695 N C -0.654 174.848 175.510 -0.013 0.000 1.072 695 N CA -0.365 52.664 53.050 -0.035 0.000 0.802 695 N CB 1.813 40.275 38.487 -0.043 0.000 1.348 695 N HN 0.266 nan 8.380 nan 0.000 0.484 696 A N 1.029 123.847 122.820 -0.004 0.000 2.483 696 A HA 0.351 4.671 4.320 -0.000 0.000 0.238 696 A C -0.028 177.557 177.584 0.002 0.000 1.070 696 A CA 0.049 52.089 52.037 0.006 0.000 0.770 696 A CB 0.238 19.243 19.000 0.008 0.000 1.008 696 A HN 0.415 nan 8.150 nan 0.000 0.497 697 V N 2.244 122.163 119.914 0.008 0.000 2.577 697 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 697 V C 0.234 176.333 176.094 0.008 0.000 1.042 697 V CA 0.081 62.385 62.300 0.006 0.000 0.872 697 V CB 1.775 33.603 31.823 0.009 0.000 0.998 697 V HN 1.271 nan 8.190 nan 0.000 0.423 698 S N 2.303 118.006 115.700 0.005 0.000 2.759 698 S HA 0.845 5.315 4.470 -0.000 0.000 0.310 698 S C 0.791 175.393 174.600 0.004 0.000 1.123 698 S CA -0.104 58.099 58.200 0.005 0.000 0.959 698 S CB 1.689 64.892 63.200 0.004 0.000 1.172 698 S HN 2.335 nan 8.310 nan 0.000 0.539 699 G N -0.081 108.721 108.800 0.004 0.000 2.221 699 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.265 699 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.265 699 G C -0.270 174.633 174.900 0.004 0.000 1.041 699 G CA 0.403 45.505 45.100 0.002 0.000 0.807 699 G HN 0.718 nan 8.290 nan 0.000 0.502 700 L N 0.254 121.481 121.223 0.006 0.000 2.375 700 L HA 0.691 5.031 4.340 -0.000 0.000 0.271 700 L C 0.946 177.819 176.870 0.005 0.000 1.107 700 L CA 0.103 54.947 54.840 0.007 0.000 0.806 700 L CB 1.763 43.829 42.059 0.011 0.000 1.146 700 L HN 0.302 nan 8.230 nan 0.000 0.447 701 T N 1.290 115.846 114.554 0.004 0.000 2.841 701 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 701 T C -0.683 174.018 174.700 0.001 0.000 0.991 701 T CA -0.627 61.474 62.100 0.001 0.000 0.966 701 T CB 1.444 70.309 68.868 -0.004 0.000 0.962 701 T HN 0.670 nan 8.240 nan 0.000 0.438 702 A N 3.799 126.619 122.820 0.000 0.000 2.260 702 A HA 0.678 4.998 4.320 -0.000 0.000 0.314 702 A C 0.246 177.828 177.584 -0.003 0.000 1.257 702 A CA -0.625 51.413 52.037 0.003 0.000 0.871 702 A CB 0.752 19.756 19.000 0.008 0.000 1.166 702 A HN 0.843 nan 8.150 nan 0.000 0.522 703 T N 2.111 116.663 114.554 -0.004 0.000 2.786 703 T HA 0.593 4.942 4.350 -0.000 0.000 0.283 703 T C -0.137 174.557 174.700 -0.008 0.000 0.992 703 T CA -0.131 61.957 62.100 -0.020 0.000 0.954 703 T CB 1.081 69.932 68.868 -0.028 0.000 0.934 703 T HN 0.875 nan 8.240 nan 0.000 0.440 704 T N 3.212 117.764 114.554 -0.004 0.000 2.861 704 T HA 0.680 5.030 4.350 -0.000 0.000 0.287 704 T C -1.278 173.430 174.700 0.014 0.000 1.003 704 T CA -0.789 61.331 62.100 0.033 0.000 0.977 704 T CB 0.938 69.863 68.868 0.095 0.000 0.996 704 T HN 0.435 nan 8.240 nan 0.000 0.448 705 K N 3.572 123.967 120.400 -0.009 0.000 2.498 705 K HA 0.551 4.871 4.320 -0.000 0.000 0.254 705 K C -1.208 175.346 176.600 -0.077 0.000 0.933 705 K CA -0.892 55.319 56.287 -0.127 0.000 0.806 705 K CB 2.418 34.739 32.500 -0.299 0.000 1.301 705 K HN 0.548 nan 8.250 nan 0.000 0.432 706 L N 3.121 124.272 121.223 -0.120 0.000 2.322 706 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 706 L C -1.204 175.546 176.870 -0.200 0.000 1.014 706 L CA -0.962 53.864 54.840 -0.023 0.000 0.815 706 L CB 0.820 42.892 42.059 0.022 0.000 1.247 706 L HN 0.549 nan 8.230 nan 0.000 0.421 707 Y N 1.105 121.505 120.300 0.166 0.000 2.425 707 Y HA 0.356 4.905 4.550 -0.000 0.000 0.344 707 Y C 0.341 176.359 175.900 0.196 0.000 0.969 707 Y CA -0.978 57.231 58.100 0.182 0.000 1.052 707 Y CB 1.608 40.255 38.460 0.312 0.000 1.215 707 Y HN 0.505 nan 8.280 nan 0.000 0.451 708 N N 1.371 120.240 118.700 0.281 0.000 2.354 708 N HA 0.181 4.921 4.740 -0.000 0.000 0.246 708 N C 0.855 176.487 175.510 0.203 0.000 1.285 708 N CA -0.120 53.055 53.050 0.207 0.000 0.925 708 N CB 0.671 39.232 38.487 0.125 0.000 1.174 708 N HN 0.700 nan 8.380 nan 0.000 0.478 709 L N 0.242 121.543 121.223 0.129 0.000 2.465 709 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 709 L C 1.128 178.032 176.870 0.056 0.000 1.145 709 L CA 0.682 55.561 54.840 0.065 0.000 0.834 709 L CB -0.391 41.686 42.059 0.030 0.000 0.944 709 L HN 0.567 nan 8.230 nan 0.000 0.451 710 D N -0.633 119.815 120.400 0.080 0.000 2.323 710 D HA -0.024 4.616 4.640 -0.000 0.000 0.209 710 D C 1.525 177.878 176.300 0.089 0.000 0.973 710 D CA 1.058 55.098 54.000 0.068 0.000 0.874 710 D CB 0.240 41.078 40.800 0.062 0.000 0.930 710 D HN 0.213 nan 8.370 nan 0.000 0.521 711 G N -0.878 108.010 108.800 0.148 0.000 2.229 711 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.189 711 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.189 711 G C 0.256 175.357 174.900 0.335 0.000 1.000 711 G CA 0.015 45.247 45.100 0.221 0.000 0.663 711 G HN 0.367 nan 8.290 nan 0.000 0.493 712 T N 2.056 116.751 114.554 0.234 0.000 2.793 712 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 712 T C 0.506 175.320 174.700 0.190 0.000 0.956 712 T CA 0.647 62.856 62.100 0.182 0.000 1.177 712 T CB 1.214 70.140 68.868 0.097 0.000 0.897 712 T HN 0.565 nan 8.240 nan 0.000 0.533 713 E N 2.859 123.128 120.200 0.115 0.000 2.414 713 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 713 E C 0.524 177.034 176.600 -0.151 0.000 1.000 713 E CA -0.230 56.022 56.400 -0.247 0.000 0.914 713 E CB 0.441 29.944 29.700 -0.328 0.000 0.948 713 E HN 0.372 nan 8.360 nan 0.000 0.444 714 K N 3.226 123.518 120.400 -0.179 0.000 2.502 714 K HA 0.078 4.397 4.320 -0.000 0.000 0.211 714 K C -0.822 175.763 176.600 -0.025 0.000 1.259 714 K CA -0.050 56.188 56.287 -0.083 0.000 0.983 714 K CB 0.771 33.229 32.500 -0.070 0.000 1.054 714 K HN 0.593 nan 8.250 nan 0.000 0.572 715 Y N -0.095 120.071 120.300 -0.222 0.000 2.552 715 Y HA 0.461 5.011 4.550 -0.000 0.000 0.337 715 Y C -1.587 174.187 175.900 -0.211 0.000 1.094 715 Y CA -0.793 57.199 58.100 -0.180 0.000 1.028 715 Y CB 2.106 40.478 38.460 -0.147 0.000 1.321 715 Y HN -0.147 nan 8.280 nan 0.000 0.456 716 S N 4.281 119.420 115.700 -0.936 0.000 2.546 716 S HA 0.599 5.069 4.470 -0.000 0.000 0.272 716 S C -2.141 171.941 174.600 -0.863 0.000 1.140 716 S CA -0.593 57.194 58.200 -0.689 0.000 0.920 716 S CB 1.217 64.180 63.200 -0.395 0.000 1.083 716 S HN 0.824 nan 8.310 nan 0.000 0.476 717 N N 1.254 119.664 118.700 -0.484 0.000 2.264 717 N HA 0.647 5.387 4.740 -0.000 0.000 0.288 717 N C -1.723 173.707 175.510 -0.134 0.000 1.094 717 N CA -0.249 52.636 53.050 -0.275 0.000 0.817 717 N CB 2.286 40.717 38.487 -0.092 0.000 1.604 717 N HN 0.467 nan 8.380 nan 0.000 0.473 718 T N 1.654 116.148 114.554 -0.101 0.000 2.861 718 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 718 T C -1.185 173.492 174.700 -0.038 0.000 1.003 718 T CA -0.461 61.602 62.100 -0.061 0.000 0.977 718 T CB 1.243 70.073 68.868 -0.063 0.000 0.996 718 T HN 0.455 nan 8.240 nan 0.000 0.448 719 K N 2.393 122.781 120.400 -0.021 0.000 2.471 719 K HA 0.624 4.944 4.320 -0.000 0.000 0.252 719 K C -0.317 176.278 176.600 -0.008 0.000 0.938 719 K CA -0.494 55.787 56.287 -0.011 0.000 0.796 719 K CB 1.122 33.622 32.500 -0.000 0.000 1.161 719 K HN 0.737 nan 8.250 nan 0.000 0.425 720 T N -0.072 114.477 114.554 -0.009 0.000 2.949 720 T HA 0.630 4.980 4.350 -0.000 0.000 0.287 720 T C 0.670 175.368 174.700 -0.003 0.000 1.034 720 T CA -0.316 61.780 62.100 -0.006 0.000 1.018 720 T CB 1.415 70.277 68.868 -0.009 0.000 1.135 720 T HN 1.111 nan 8.240 nan 0.000 0.532 721 G N 0.623 109.422 108.800 -0.001 0.000 2.323 721 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.292 721 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.292 721 G C -0.154 174.748 174.900 0.003 0.000 1.040 721 G CA 0.107 45.207 45.100 0.000 0.000 0.942 721 G HN 0.864 nan 8.290 nan 0.000 0.506 722 L N 1.163 122.389 121.223 0.004 0.000 2.319 722 L HA 0.545 4.884 4.340 -0.000 0.000 0.280 722 L C 0.934 177.810 176.870 0.010 0.000 1.099 722 L CA 0.072 54.917 54.840 0.008 0.000 0.828 722 L CB 1.454 43.518 42.059 0.010 0.000 1.150 722 L HN 0.459 nan 8.230 nan 0.000 0.442 723 S N 3.418 119.125 115.700 0.011 0.000 2.500 723 S HA 0.744 5.214 4.470 -0.000 0.000 0.301 723 S C -0.809 173.802 174.600 0.017 0.000 1.092 723 S CA -0.768 57.439 58.200 0.012 0.000 1.030 723 S CB 2.229 65.434 63.200 0.009 0.000 1.031 723 S HN 0.414 nan 8.310 nan 0.000 0.483 724 V N 2.623 122.550 119.914 0.021 0.000 2.686 724 V HA 0.823 4.943 4.120 -0.000 0.000 0.306 724 V C 0.503 176.616 176.094 0.031 0.000 1.065 724 V CA 0.132 62.450 62.300 0.029 0.000 0.894 724 V CB 1.284 33.129 31.823 0.037 0.000 1.004 724 V HN 1.330 nan 8.190 nan 0.000 0.424 725 G N 4.169 112.990 108.800 0.034 0.000 2.712 725 G HA2 0.542 4.502 3.960 -0.000 0.000 0.258 725 G HA3 0.542 4.502 3.960 -0.000 0.000 0.258 725 G C 0.317 175.244 174.900 0.045 0.000 1.241 725 G CA -0.002 45.120 45.100 0.036 0.000 0.923 725 G HN 1.712 nan 8.290 nan 0.000 0.548 726 A N -1.279 121.567 122.820 0.044 0.000 2.287 726 A HA 0.599 4.919 4.320 -0.000 0.000 0.273 726 A C 0.872 178.503 177.584 0.078 0.000 1.091 726 A CA -0.453 51.611 52.037 0.044 0.000 0.817 726 A CB 0.141 19.156 19.000 0.025 0.000 1.069 726 A HN 1.462 nan 8.150 nan 0.000 0.492 727 L N -0.156 121.108 121.223 0.068 0.000 3.677 727 L HA -0.308 4.032 4.340 -0.000 0.000 0.464 727 L C 1.176 178.143 176.870 0.161 0.000 1.278 727 L CA 0.746 55.641 54.840 0.092 0.000 0.806 727 L CB -1.975 40.149 42.059 0.108 0.000 1.610 727 L HN 1.877 nan 8.230 nan 0.000 0.867 728 G N -2.033 106.852 108.800 0.142 0.000 2.253 728 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.209 728 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.209 728 G C 0.477 175.541 174.900 0.273 0.000 0.997 728 G CA -0.056 45.173 45.100 0.214 0.000 0.640 728 G HN 1.286 nan 8.290 nan 0.000 0.496 729 A N 0.359 123.295 122.820 0.192 0.000 2.429 729 A HA 0.635 4.954 4.320 -0.000 0.000 0.242 729 A C 0.621 178.272 177.584 0.110 0.000 1.088 729 A CA 1.354 53.469 52.037 0.130 0.000 0.784 729 A CB 0.228 19.278 19.000 0.083 0.000 1.038 729 A HN 1.417 nan 8.150 nan 0.000 0.501 730 K N -0.926 119.525 120.400 0.085 0.000 2.466 730 K HA 0.854 5.174 4.320 -0.000 0.000 0.260 730 K C -0.907 175.724 176.600 0.052 0.000 1.011 730 K CA -0.464 55.870 56.287 0.078 0.000 0.871 730 K CB 2.175 34.728 32.500 0.088 0.000 1.404 730 K HN 1.208 nan 8.250 nan 0.000 0.450 731 A N 0.544 123.392 122.820 0.046 0.000 2.572 731 A HA 0.562 4.882 4.320 -0.000 0.000 0.295 731 A C -1.237 176.362 177.584 0.025 0.000 1.072 731 A CA -0.824 51.231 52.037 0.030 0.000 0.691 731 A CB 1.908 20.923 19.000 0.025 0.000 1.291 731 A HN 0.594 nan 8.150 nan 0.000 0.404 732 T N 1.900 116.463 114.554 0.015 0.000 2.771 732 T HA 0.493 4.843 4.350 -0.000 0.000 0.291 732 T C 1.319 176.023 174.700 0.007 0.000 0.954 732 T CA 0.364 62.468 62.100 0.007 0.000 1.045 732 T CB 1.472 70.339 68.868 -0.002 0.000 0.917 732 T HN 1.045 nan 8.240 nan 0.000 0.484 733 A N 3.756 126.581 122.820 0.009 0.000 1.878 733 A HA 0.504 4.824 4.320 -0.000 0.000 0.213 733 A C 0.862 178.457 177.584 0.018 0.000 1.192 733 A CA 0.547 52.592 52.037 0.013 0.000 0.619 733 A CB 0.211 19.221 19.000 0.016 0.000 0.837 733 A HN 0.629 nan 8.150 nan 0.000 0.446 734 V N -2.164 117.762 119.914 0.020 0.000 3.278 734 V HA 0.449 4.568 4.120 -0.000 0.000 0.288 734 V C -1.589 174.509 176.094 0.007 0.000 1.514 734 V CA -0.450 61.869 62.300 0.031 0.000 1.051 734 V CB 2.015 33.886 31.823 0.081 0.000 1.163 734 V HN 0.141 nan 8.190 nan 0.000 0.458 735 T N 3.115 117.666 114.554 -0.004 0.000 2.788 735 T HA 0.438 4.788 4.350 -0.000 0.000 0.296 735 T C -0.426 174.238 174.700 -0.061 0.000 1.009 735 T CA -0.194 61.879 62.100 -0.046 0.000 0.949 735 T CB 1.030 69.865 68.868 -0.056 0.000 0.946 735 T HN 0.646 nan 8.240 nan 0.000 0.453 736 V N 8.187 128.041 119.914 -0.100 0.000 2.509 736 V HA 0.094 4.214 4.120 -0.000 0.000 0.297 736 V C -1.308 174.632 176.094 -0.258 0.000 1.014 736 V CA -0.959 61.170 62.300 -0.284 0.000 1.127 736 V CB -0.448 31.242 31.823 -0.222 0.000 0.925 736 V HN 0.693 nan 8.190 nan 0.000 0.480 737 P HA 0.321 nan 4.420 nan 0.000 0.277 737 P C -0.552 176.633 177.300 -0.191 0.000 1.271 737 P CA -0.618 62.379 63.100 -0.173 0.000 0.795 737 P CB 0.853 32.499 31.700 -0.091 0.000 1.101 738 A N 0.658 123.409 122.820 -0.115 0.000 2.491 738 A HA 0.329 4.649 4.320 -0.000 0.000 0.261 738 A C 0.013 177.530 177.584 -0.110 0.000 1.101 738 A CA -0.044 51.932 52.037 -0.101 0.000 0.772 738 A CB -0.734 18.229 19.000 -0.063 0.000 1.043 738 A HN 0.318 nan 8.150 nan 0.000 0.501 739 V N 3.706 123.533 119.914 -0.145 0.000 2.384 739 V HA 0.260 4.380 4.120 -0.000 0.000 0.287 739 V C 0.522 176.544 176.094 -0.122 0.000 1.020 739 V CA -0.441 61.780 62.300 -0.132 0.000 0.850 739 V CB 1.625 33.339 31.823 -0.182 0.000 0.987 739 V HN 0.943 nan 8.190 nan 0.000 0.436 740 S N 3.091 118.745 115.700 -0.076 0.000 2.576 740 S HA 0.477 4.947 4.470 -0.000 0.000 0.276 740 S C 1.177 175.735 174.600 -0.071 0.000 1.339 740 S CA 0.626 58.788 58.200 -0.064 0.000 1.039 740 S CB 1.026 64.203 63.200 -0.039 0.000 0.902 740 S HN 1.591 nan 8.310 nan 0.000 0.516 741 G N 1.526 110.287 108.800 -0.064 0.000 2.143 741 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.249 741 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.249 741 G C -0.078 174.777 174.900 -0.074 0.000 0.981 741 G CA -0.324 44.744 45.100 -0.053 0.000 0.665 741 G HN 0.577 nan 8.290 nan 0.000 0.528 742 L N 2.169 123.312 121.223 -0.133 0.000 2.410 742 L HA 0.426 4.765 4.340 -0.000 0.000 0.273 742 L C 1.578 178.410 176.870 -0.064 0.000 1.152 742 L CA 0.103 54.828 54.840 -0.193 0.000 0.855 742 L CB 0.974 42.737 42.059 -0.492 0.000 1.129 742 L HN 0.473 nan 8.230 nan 0.000 0.463 743 S N 1.069 116.776 115.700 0.011 0.000 2.576 743 S HA 0.020 4.490 4.470 -0.000 0.000 0.272 743 S C 1.151 175.830 174.600 0.131 0.000 1.352 743 S CA -0.387 57.856 58.200 0.071 0.000 1.021 743 S CB 1.062 64.317 63.200 0.092 0.000 0.887 743 S HN 0.672 nan 8.310 nan 0.000 0.542 744 T N 1.682 116.301 114.554 0.109 0.000 2.684 744 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 744 T C 0.709 175.509 174.700 0.166 0.000 1.036 744 T CA 1.693 63.867 62.100 0.123 0.000 1.148 744 T CB -0.503 68.410 68.868 0.076 0.000 0.863 744 T HN 0.802 nan 8.240 nan 0.000 0.436 745 T N 2.322 116.950 114.554 0.124 0.000 2.767 745 T HA 0.565 4.915 4.350 -0.000 0.000 0.284 745 T C -0.746 174.053 174.700 0.164 0.000 0.973 745 T CA -0.733 61.418 62.100 0.085 0.000 0.996 745 T CB 0.576 69.447 68.868 0.005 0.000 0.927 745 T HN 0.442 nan 8.240 nan 0.000 0.456 746 Y N 1.082 121.400 120.300 0.029 0.000 2.705 746 Y HA 0.839 5.389 4.550 -0.000 0.000 0.332 746 Y C -1.772 174.168 175.900 0.068 0.000 1.157 746 Y CA -1.883 56.244 58.100 0.045 0.000 1.091 746 Y CB 1.157 39.641 38.460 0.040 0.000 1.301 746 Y HN 0.398 nan 8.280 nan 0.000 0.488 747 L N 2.151 123.524 121.223 0.249 0.000 2.346 747 L HA 0.868 5.208 4.340 -0.000 0.000 0.276 747 L C -0.568 176.468 176.870 0.278 0.000 1.006 747 L CA -1.346 53.621 54.840 0.213 0.000 0.817 747 L CB 2.066 44.322 42.059 0.329 0.000 1.272 747 L HN 0.905 nan 8.230 nan 0.000 0.421 748 A N 3.084 125.984 122.820 0.133 0.000 2.288 748 A HA 0.558 4.878 4.320 -0.000 0.000 0.320 748 A C -0.658 177.046 177.584 0.199 0.000 1.217 748 A CA -0.553 51.515 52.037 0.053 0.000 0.840 748 A CB 0.991 19.776 19.000 -0.358 0.000 1.179 748 A HN 0.663 nan 8.150 nan 0.000 0.504 749 K N 3.481 123.974 120.400 0.155 0.000 2.425 749 K HA 0.275 4.595 4.320 -0.000 0.000 0.259 749 K C -1.126 175.519 176.600 0.075 0.000 0.978 749 K CA -0.233 56.134 56.287 0.133 0.000 0.883 749 K CB 0.472 32.897 32.500 -0.125 0.000 1.110 749 K HN 0.880 nan 8.250 nan 0.000 0.436 750 N N 2.891 121.670 118.700 0.132 0.000 2.408 750 N HA 0.324 5.064 4.740 -0.000 0.000 0.280 750 N C -1.346 174.212 175.510 0.079 0.000 1.002 750 N CA -0.760 52.343 53.050 0.090 0.000 0.907 750 N CB 2.130 40.684 38.487 0.110 0.000 1.161 750 N HN 0.110 nan 8.380 nan 0.000 0.488 751 V N 2.778 122.717 119.914 0.041 0.000 2.638 751 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 751 V C -0.787 175.320 176.094 0.021 0.000 1.052 751 V CA -0.767 61.556 62.300 0.038 0.000 0.885 751 V CB 2.031 33.874 31.823 0.034 0.000 0.999 751 V HN 0.455 nan 8.190 nan 0.000 0.424 752 L N 5.039 126.275 121.223 0.022 0.000 2.333 752 L HA 0.882 5.222 4.340 -0.000 0.000 0.280 752 L C 0.145 177.027 176.870 0.021 0.000 1.004 752 L CA 0.337 55.187 54.840 0.016 0.000 0.820 752 L CB 2.060 44.125 42.059 0.010 0.000 1.247 752 L HN 0.902 nan 8.230 nan 0.000 0.416 753 T N 0.130 114.693 114.554 0.015 0.000 2.887 753 T HA 0.707 5.056 4.350 -0.000 0.000 0.288 753 T C -0.573 174.135 174.700 0.012 0.000 1.021 753 T CA -0.840 61.269 62.100 0.015 0.000 1.000 753 T CB 1.450 70.326 68.868 0.012 0.000 1.034 753 T HN 0.623 nan 8.240 nan 0.000 0.467 754 D N 0.699 121.106 120.400 0.012 0.000 2.387 754 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 754 D C 1.649 177.952 176.300 0.006 0.000 1.141 754 D CA -0.309 53.697 54.000 0.010 0.000 0.987 754 D CB 0.750 41.556 40.800 0.009 0.000 1.116 754 D HN 0.534 nan 8.370 nan 0.000 0.491 755 S N 0.069 115.772 115.700 0.004 0.000 2.428 755 S HA -0.304 4.166 4.470 -0.000 0.000 0.240 755 S C 1.662 176.263 174.600 0.002 0.000 1.036 755 S CA 1.500 59.701 58.200 0.002 0.000 1.009 755 S CB -1.049 62.152 63.200 0.001 0.000 0.803 755 S HN 0.640 nan 8.310 nan 0.000 0.486 756 S N 0.147 115.849 115.700 0.002 0.000 2.593 756 S HA 0.462 4.932 4.470 -0.000 0.000 0.217 756 S C 1.507 176.109 174.600 0.004 0.000 0.966 756 S CA 0.477 58.678 58.200 0.002 0.000 0.914 756 S CB -0.462 62.739 63.200 0.002 0.000 0.776 756 S HN 1.649 nan 8.310 nan 0.000 0.523 757 G N 1.074 109.877 108.800 0.005 0.000 2.141 757 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 757 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 757 G C -0.109 174.798 174.900 0.010 0.000 0.982 757 G CA 0.215 45.319 45.100 0.007 0.000 0.662 757 G HN 0.711 nan 8.290 nan 0.000 0.527 758 K N 0.813 121.220 120.400 0.012 0.000 2.218 758 K HA 0.392 4.712 4.320 -0.000 0.000 0.276 758 K C 0.191 176.803 176.600 0.020 0.000 1.022 758 K CA -0.474 55.822 56.287 0.015 0.000 0.946 758 K CB 0.509 33.017 32.500 0.014 0.000 1.000 758 K HN 0.268 nan 8.250 nan 0.000 0.468 759 E N 3.499 123.715 120.200 0.025 0.000 2.129 759 E HA 0.035 4.385 4.350 -0.000 0.000 0.283 759 E C 0.562 177.184 176.600 0.036 0.000 1.080 759 E CA -0.383 56.037 56.400 0.032 0.000 0.867 759 E CB 0.671 30.394 29.700 0.039 0.000 1.056 759 E HN 0.523 nan 8.360 nan 0.000 0.404 760 V N 0.979 120.915 119.914 0.038 0.000 3.431 760 V HA 0.264 4.384 4.120 -0.000 0.000 0.253 760 V C 0.528 176.659 176.094 0.062 0.000 1.184 760 V CA 0.061 62.387 62.300 0.043 0.000 1.104 760 V CB 0.883 32.728 31.823 0.036 0.000 0.799 760 V HN 0.357 nan 8.190 nan 0.000 0.462 761 S N 0.491 116.227 115.700 0.061 0.000 2.614 761 S HA 0.640 5.110 4.470 -0.000 0.000 0.275 761 S C -0.926 173.718 174.600 0.073 0.000 1.161 761 S CA -0.704 57.543 58.200 0.079 0.000 0.969 761 S CB 1.786 65.020 63.200 0.056 0.000 1.059 761 S HN 0.615 nan 8.310 nan 0.000 0.482 762 R N 3.378 123.940 120.500 0.104 0.000 2.439 762 R HA 0.566 4.906 4.340 -0.000 0.000 0.310 762 R C -1.646 174.755 176.300 0.169 0.000 0.955 762 R CA -0.540 55.635 56.100 0.125 0.000 0.853 762 R CB 0.911 31.285 30.300 0.123 0.000 1.171 762 R HN 0.576 nan 8.270 nan 0.000 0.449 763 N N 3.264 122.081 118.700 0.195 0.000 2.480 763 N HA 0.292 5.032 4.740 -0.000 0.000 0.289 763 N C -1.814 173.897 175.510 0.334 0.000 1.073 763 N CA -0.328 52.877 53.050 0.258 0.000 0.885 763 N CB 2.200 40.852 38.487 0.275 0.000 1.421 763 N HN 0.250 nan 8.380 nan 0.000 0.503 764 V N 4.137 124.237 119.914 0.310 0.000 2.495 764 V HA 0.491 4.611 4.120 -0.000 0.000 0.298 764 V C -0.926 175.307 176.094 0.232 0.000 1.031 764 V CA -0.569 61.980 62.300 0.415 0.000 0.871 764 V CB 1.078 33.239 31.823 0.563 0.000 0.988 764 V HN 0.486 nan 8.190 nan 0.000 0.432 765 Y N 2.633 122.992 120.300 0.097 0.000 2.341 765 Y HA 0.476 5.026 4.550 -0.000 0.000 0.338 765 Y C -0.129 175.722 175.900 -0.081 0.000 0.965 765 Y CA -0.829 57.158 58.100 -0.189 0.000 1.108 765 Y CB 1.470 39.743 38.460 -0.311 0.000 1.180 765 Y HN 0.802 nan 8.280 nan 0.000 0.458 766 W N 4.765 126.118 121.300 0.088 0.000 2.358 766 W HA 0.724 5.384 4.660 -0.000 0.000 0.307 766 W C -1.738 174.696 176.519 -0.141 0.000 1.203 766 W CA -0.757 56.523 57.345 -0.109 0.000 1.279 766 W CB 0.038 29.416 29.460 -0.137 0.000 1.264 766 W HN 0.213 nan 8.180 nan 0.000 0.474 767 L N 3.235 124.262 121.223 -0.326 0.000 2.279 767 L HA 0.729 5.069 4.340 -0.000 0.000 0.262 767 L C 0.007 176.600 176.870 -0.463 0.000 1.019 767 L CA -1.278 53.266 54.840 -0.492 0.000 0.823 767 L CB 2.065 43.595 42.059 -0.882 0.000 1.358 767 L HN 0.512 nan 8.230 nan 0.000 0.432 768 S N -1.586 114.012 115.700 -0.170 0.000 2.538 768 S HA 0.284 4.754 4.470 -0.000 0.000 0.288 768 S C 0.646 175.398 174.600 0.253 0.000 1.108 768 S CA -0.139 58.102 58.200 0.068 0.000 0.971 768 S CB 1.612 64.840 63.200 0.047 0.000 1.041 768 S HN 0.770 nan 8.310 nan 0.000 0.483 769 T N 1.104 115.841 114.554 0.305 0.000 2.977 769 T HA 0.027 4.377 4.350 -0.000 0.000 0.271 769 T C 0.603 175.377 174.700 0.124 0.000 1.105 769 T CA 0.917 63.140 62.100 0.204 0.000 1.116 769 T CB -0.317 68.621 68.868 0.117 0.000 0.878 769 T HN 0.489 nan 8.240 nan 0.000 0.509 770 K N 1.453 121.919 120.400 0.110 0.000 2.263 770 K HA 0.624 4.944 4.320 -0.000 0.000 0.272 770 K C -0.583 176.064 176.600 0.079 0.000 1.033 770 K CA -0.736 55.600 56.287 0.082 0.000 0.884 770 K CB 1.069 33.615 32.500 0.077 0.000 1.107 770 K HN 0.247 nan 8.250 nan 0.000 0.460 771 A N 4.118 126.977 122.820 0.064 0.000 2.354 771 A HA 0.182 4.502 4.320 -0.000 0.000 0.269 771 A C -0.577 177.020 177.584 0.023 0.000 1.109 771 A CA -0.582 51.486 52.037 0.053 0.000 0.800 771 A CB 0.306 19.332 19.000 0.043 0.000 1.045 771 A HN 0.805 nan 8.150 nan 0.000 0.489 772 D N 2.035 122.444 120.400 0.014 0.000 2.458 772 D HA 0.295 4.935 4.640 -0.000 0.000 0.243 772 D C 0.565 176.811 176.300 -0.091 0.000 1.146 772 D CA 1.104 55.073 54.000 -0.053 0.000 0.877 772 D CB 0.775 41.558 40.800 -0.028 0.000 1.176 772 D HN 0.659 nan 8.370 nan 0.000 0.461 773 T N -0.821 113.629 114.554 -0.172 0.000 2.916 773 T HA 0.671 5.021 4.350 -0.000 0.000 0.292 773 T C -0.210 174.290 174.700 -0.333 0.000 1.055 773 T CA -0.983 61.005 62.100 -0.187 0.000 1.009 773 T CB 1.149 69.940 68.868 -0.128 0.000 1.118 773 T HN 0.121 nan 8.240 nan 0.000 0.497 774 L N 2.333 123.279 121.223 -0.462 0.000 2.307 774 L HA 0.487 4.827 4.340 -0.000 0.000 0.284 774 L C 0.321 176.769 176.870 -0.703 0.000 1.023 774 L CA -0.903 53.463 54.840 -0.790 0.000 0.810 774 L CB 1.262 42.395 42.059 -1.544 0.000 1.231 774 L HN 0.712 nan 8.230 nan 0.000 0.423 775 N N 2.066 120.466 118.700 -0.499 0.000 2.739 775 N HA 0.039 4.779 4.740 -0.000 0.000 0.266 775 N C 0.504 175.861 175.510 -0.255 0.000 1.168 775 N CA 0.005 52.877 53.050 -0.296 0.000 1.055 775 N CB 0.149 38.531 38.487 -0.174 0.000 1.393 775 N HN 0.486 nan 8.380 nan 0.000 0.514 776 W N 1.948 123.206 121.300 -0.070 0.000 2.335 776 W HA -0.035 4.625 4.660 -0.000 0.000 0.311 776 W C 2.325 178.806 176.519 -0.064 0.000 1.213 776 W CA 0.825 58.130 57.345 -0.067 0.000 1.274 776 W CB -0.426 29.000 29.460 -0.058 0.000 1.148 776 W HN 0.539 nan 8.180 nan 0.000 0.498 777 G N 0.116 109.021 108.800 0.176 0.000 2.462 777 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 777 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 777 G C 1.579 176.504 174.900 0.041 0.000 1.121 777 G CA 1.057 46.214 45.100 0.095 0.000 0.758 777 G HN 0.421 nan 8.290 nan 0.000 0.559 778 G N -0.002 108.793 108.800 -0.009 0.000 2.920 778 G HA2 0.253 4.213 3.960 -0.000 0.000 0.208 778 G HA3 0.253 4.213 3.960 -0.000 0.000 0.208 778 G C 0.687 175.510 174.900 -0.128 0.000 1.159 778 G CA 0.131 45.199 45.100 -0.053 0.000 0.784 778 G HN 0.326 nan 8.290 nan 0.000 0.535 779 S N 0.838 116.480 115.700 -0.097 0.000 2.546 779 S HA 0.147 4.617 4.470 -0.000 0.000 0.290 779 S C 0.075 174.600 174.600 -0.124 0.000 1.290 779 S CA -0.134 57.965 58.200 -0.168 0.000 1.069 779 S CB 1.307 64.519 63.200 0.020 0.000 0.846 779 S HN 0.380 nan 8.310 nan 0.000 0.495 780 D N 1.028 121.271 120.400 -0.261 0.000 2.529 780 D HA 0.239 4.879 4.640 -0.000 0.000 0.273 780 D C 1.294 177.613 176.300 0.031 0.000 1.197 780 D CA -0.871 53.095 54.000 -0.057 0.000 1.070 780 D CB 0.425 41.150 40.800 -0.125 0.000 1.134 780 D HN 0.698 nan 8.370 nan 0.000 0.590 781 W N 1.060 122.477 121.300 0.196 0.000 2.465 781 W HA -0.124 4.536 4.660 -0.000 0.000 0.268 781 W C 0.801 177.552 176.519 0.388 0.000 1.242 781 W CA 0.521 58.024 57.345 0.264 0.000 1.248 781 W CB -0.953 28.672 29.460 0.276 0.000 1.118 781 W HN 0.442 nan 8.180 nan 0.000 0.587 782 Y N -0.853 119.179 120.300 -0.446 0.000 2.445 782 Y HA 0.402 4.952 4.550 -0.000 0.000 0.247 782 Y C -0.071 175.892 175.900 0.105 0.000 1.129 782 Y CA -0.902 57.029 58.100 -0.283 0.000 1.251 782 Y CB -0.754 37.181 38.460 -0.876 0.000 1.176 782 Y HN 0.004 nan 8.280 nan 0.000 0.522 783 Y N -1.783 118.216 120.300 -0.502 0.000 2.741 783 Y HA 0.714 5.264 4.550 -0.000 0.000 0.339 783 Y C -1.723 174.002 175.900 -0.293 0.000 1.226 783 Y CA -1.462 56.404 58.100 -0.390 0.000 1.072 783 Y CB 1.218 39.453 38.460 -0.375 0.000 1.331 783 Y HN -0.190 nan 8.280 nan 0.000 0.453 784 T N 4.711 118.896 114.554 -0.616 0.000 2.809 784 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 784 T C -2.897 171.456 174.700 -0.578 0.000 0.992 784 T CA -1.428 60.289 62.100 -0.638 0.000 0.957 784 T CB 1.669 70.393 68.868 -0.239 0.000 0.942 784 T HN 0.486 nan 8.240 nan 0.000 0.439 785 P HA 0.210 nan 4.420 nan 0.000 0.274 785 P C -0.881 176.273 177.300 -0.244 0.000 1.256 785 P CA -0.588 62.423 63.100 -0.149 0.000 0.795 785 P CB 0.919 32.580 31.700 -0.066 0.000 1.038 786 Q N -0.195 119.464 119.800 -0.236 0.000 2.256 786 Q HA 0.223 4.563 4.340 -0.000 0.000 0.257 786 Q C 1.149 176.922 176.000 -0.377 0.000 0.936 786 Q CA -0.412 55.105 55.803 -0.477 0.000 0.903 786 Q CB 1.251 29.413 28.738 -0.960 0.000 1.263 786 Q HN 0.456 nan 8.270 nan 0.000 0.440 787 S N 0.651 116.160 115.700 -0.318 0.000 2.496 787 S HA 0.291 4.761 4.470 -0.000 0.000 0.224 787 S C 0.507 175.018 174.600 -0.149 0.000 0.996 787 S CA 0.318 58.410 58.200 -0.179 0.000 0.927 787 S CB 0.350 63.468 63.200 -0.136 0.000 0.774 787 S HN 0.602 nan 8.310 nan 0.000 0.524 788 A N 0.024 122.680 122.820 -0.273 0.000 2.610 788 A HA 0.732 5.051 4.320 -0.000 0.000 0.291 788 A C -1.825 175.545 177.584 -0.357 0.000 1.086 788 A CA -0.866 51.078 52.037 -0.156 0.000 0.677 788 A CB 0.652 19.634 19.000 -0.030 0.000 1.278 788 A HN 0.262 nan 8.150 nan 0.000 0.414 789 F N 0.700 120.660 119.950 0.017 0.000 2.507 789 F HA 0.654 5.181 4.527 -0.000 0.000 0.325 789 F C 0.868 176.679 175.800 0.019 0.000 1.116 789 F CA -0.193 57.822 58.000 0.025 0.000 0.930 789 F CB 2.077 41.090 39.000 0.022 0.000 1.146 789 F HN 0.838 nan 8.300 nan 0.000 0.447 790 A N 1.579 124.502 122.820 0.171 0.000 2.520 790 A HA 0.195 4.515 4.320 -0.000 0.000 0.235 790 A C -0.237 177.396 177.584 0.082 0.000 1.065 790 A CA -0.052 52.046 52.037 0.102 0.000 0.764 790 A CB 0.030 19.072 19.000 0.070 0.000 1.002 790 A HN 0.676 nan 8.150 nan 0.000 0.502 791 D N 1.990 122.419 120.400 0.050 0.000 2.443 791 D HA 0.415 5.055 4.640 -0.000 0.000 0.221 791 D C -0.090 176.192 176.300 -0.029 0.000 1.097 791 D CA -0.093 53.918 54.000 0.018 0.000 0.865 791 D CB 0.348 41.172 40.800 0.041 0.000 1.034 791 D HN 0.379 nan 8.370 nan 0.000 0.511 792 L N 2.819 123.971 121.223 -0.119 0.000 3.017 792 L HA 0.111 4.451 4.340 -0.000 0.000 0.255 792 L C 1.803 178.585 176.870 -0.147 0.000 1.247 792 L CA -0.172 54.556 54.840 -0.187 0.000 1.038 792 L CB 0.218 42.025 42.059 -0.419 0.000 1.380 792 L HN 0.270 nan 8.230 nan 0.000 0.548 793 S N -1.185 114.484 115.700 -0.052 0.000 2.561 793 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 793 S C 1.935 176.558 174.600 0.039 0.000 0.977 793 S CA 0.612 58.821 58.200 0.015 0.000 0.926 793 S CB -0.112 63.106 63.200 0.031 0.000 0.769 793 S HN 0.448 nan 8.310 nan 0.000 0.533 794 G N 2.322 111.131 108.800 0.015 0.000 2.432 794 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.219 794 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.219 794 G C 1.314 176.236 174.900 0.037 0.000 1.135 794 G CA 0.736 45.853 45.100 0.027 0.000 0.767 794 G HN 0.545 nan 8.290 nan 0.000 0.550 795 L N 0.323 121.543 121.223 -0.005 0.000 2.189 795 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 795 L C 2.564 179.658 176.870 0.374 0.000 1.097 795 L CA 1.192 56.038 54.840 0.009 0.000 0.764 795 L CB -0.525 41.342 42.059 -0.320 0.000 0.900 795 L HN 0.248 nan 8.230 nan 0.000 0.436 796 N N -0.012 118.868 118.700 0.301 0.000 2.223 796 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 796 N C 1.066 176.678 175.510 0.170 0.000 1.016 796 N CA 1.130 54.340 53.050 0.267 0.000 0.863 796 N CB -0.008 38.575 38.487 0.159 0.000 0.983 796 N HN 0.375 nan 8.380 nan 0.000 0.429 797 N N 0.302 119.083 118.700 0.135 0.000 2.204 797 N HA 0.047 4.786 4.740 -0.000 0.000 0.219 797 N C -0.495 175.064 175.510 0.082 0.000 1.151 797 N CA -0.228 52.872 53.050 0.084 0.000 0.867 797 N CB 0.408 38.929 38.487 0.057 0.000 1.043 797 N HN 0.138 nan 8.380 nan 0.000 0.516 798 L N 2.364 123.661 121.223 0.123 0.000 2.660 798 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 798 L C 0.962 177.877 176.870 0.075 0.000 1.194 798 L CA -0.060 54.833 54.840 0.089 0.000 0.945 798 L CB -0.289 41.841 42.059 0.118 0.000 1.212 798 L HN 0.113 nan 8.230 nan 0.000 0.490 799 G N 4.719 113.539 108.800 0.034 0.000 2.559 799 G HA2 0.064 4.023 3.960 -0.000 0.000 0.235 799 G HA3 0.064 4.023 3.960 -0.000 0.000 0.235 799 G C -0.218 174.688 174.900 0.011 0.000 1.266 799 G CA -0.612 44.499 45.100 0.017 0.000 0.847 799 G HN 0.707 nan 8.290 nan 0.000 0.583 800 Q N -0.254 119.544 119.800 -0.002 0.000 2.364 800 Q HA 0.222 4.561 4.340 -0.000 0.000 0.267 800 Q C 0.415 176.403 176.000 -0.021 0.000 0.999 800 Q CA 0.199 55.994 55.803 -0.012 0.000 0.886 800 Q CB 1.479 30.202 28.738 -0.025 0.000 1.243 800 Q HN 0.475 nan 8.270 nan 0.000 0.415 801 S N -0.169 115.515 115.700 -0.028 0.000 2.894 801 S HA 0.895 5.365 4.470 -0.000 0.000 0.298 801 S C -1.520 173.056 174.600 -0.039 0.000 1.054 801 S CA 0.005 58.179 58.200 -0.044 0.000 0.903 801 S CB 1.548 64.702 63.200 -0.076 0.000 1.356 801 S HN 0.704 nan 8.310 nan 0.000 0.626 802 A N -0.083 122.711 122.820 -0.044 0.000 2.606 802 A HA 0.770 5.090 4.320 -0.000 0.000 0.293 802 A C -1.467 176.092 177.584 -0.041 0.000 1.082 802 A CA -0.463 51.550 52.037 -0.039 0.000 0.685 802 A CB 1.357 20.339 19.000 -0.030 0.000 1.284 802 A HN 1.196 nan 8.150 nan 0.000 0.408 803 V N 0.129 120.019 119.914 -0.040 0.000 2.888 803 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 803 V C 0.295 176.370 176.094 -0.031 0.000 1.114 803 V CA 0.966 63.243 62.300 -0.039 0.000 0.940 803 V CB 1.876 33.666 31.823 -0.054 0.000 1.021 803 V HN 2.744 nan 8.190 nan 0.000 0.426 804 G N 4.152 112.938 108.800 -0.023 0.000 2.468 804 G HA2 0.443 4.403 3.960 -0.000 0.000 0.143 804 G HA3 0.443 4.403 3.960 -0.000 0.000 0.143 804 G C -0.228 174.663 174.900 -0.015 0.000 1.065 804 G CA -0.014 45.076 45.100 -0.018 0.000 0.776 804 G HN 1.951 nan 8.290 nan 0.000 0.486 805 A N -0.101 122.713 122.820 -0.011 0.000 2.398 805 A HA 0.933 5.253 4.320 -0.000 0.000 0.301 805 A C -0.215 177.373 177.584 0.006 0.000 1.041 805 A CA -0.134 51.901 52.037 -0.004 0.000 0.711 805 A CB 2.020 21.013 19.000 -0.011 0.000 1.240 805 A HN 0.804 nan 8.150 nan 0.000 0.420 806 T N 1.253 115.816 114.554 0.015 0.000 2.881 806 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 806 T C -0.396 174.325 174.700 0.034 0.000 1.000 806 T CA 0.160 62.272 62.100 0.020 0.000 0.978 806 T CB 1.527 70.406 68.868 0.017 0.000 0.997 806 T HN 1.504 nan 8.240 nan 0.000 0.443 807 A N 3.668 126.510 122.820 0.036 0.000 2.454 807 A HA 0.898 5.218 4.320 -0.000 0.000 0.302 807 A C -0.796 176.809 177.584 0.036 0.000 1.079 807 A CA -0.786 51.281 52.037 0.049 0.000 0.731 807 A CB 1.507 20.546 19.000 0.065 0.000 1.299 807 A HN 0.849 nan 8.150 nan 0.000 0.413 808 N N -0.596 118.125 118.700 0.035 0.000 2.598 808 N HA 0.599 5.339 4.740 -0.000 0.000 0.263 808 N C -1.487 174.030 175.510 0.012 0.000 1.254 808 N CA -0.357 52.706 53.050 0.020 0.000 0.863 808 N CB 1.820 40.314 38.487 0.011 0.000 1.586 808 N HN 0.592 nan 8.380 nan 0.000 0.491 809 S N 0.571 116.272 115.700 0.001 0.000 2.548 809 S HA 0.572 5.042 4.470 -0.000 0.000 0.286 809 S C -1.204 173.370 174.600 -0.042 0.000 1.098 809 S CA -0.599 57.589 58.200 -0.021 0.000 0.930 809 S CB 2.077 65.279 63.200 0.004 0.000 1.070 809 S HN 0.282 nan 8.310 nan 0.000 0.480 810 V N 1.962 121.829 119.914 -0.078 0.000 2.407 810 V HA 0.638 4.758 4.120 -0.000 0.000 0.291 810 V C 0.103 176.131 176.094 -0.111 0.000 1.018 810 V CA -0.850 61.403 62.300 -0.078 0.000 0.842 810 V CB 1.198 32.977 31.823 -0.073 0.000 0.996 810 V HN 1.052 nan 8.190 nan 0.000 0.426 811 A N 4.065 126.833 122.820 -0.088 0.000 2.396 811 A HA 0.651 4.971 4.320 -0.000 0.000 0.279 811 A C 0.841 178.373 177.584 -0.086 0.000 1.165 811 A CA 0.410 52.389 52.037 -0.096 0.000 0.824 811 A CB 0.070 19.033 19.000 -0.063 0.000 1.100 811 A HN 1.049 nan 8.150 nan 0.000 0.516 812 G N 0.470 109.207 108.800 -0.105 0.000 2.537 812 G HA2 0.479 4.438 3.960 -0.000 0.000 0.273 812 G HA3 0.479 4.438 3.960 -0.000 0.000 0.273 812 G C 0.977 175.838 174.900 -0.064 0.000 1.189 812 G CA 0.074 45.124 45.100 -0.084 0.000 0.881 812 G HN 1.245 nan 8.290 nan 0.000 0.535 813 A N 0.226 123.016 122.820 -0.050 0.000 2.067 813 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 813 A C 1.806 179.367 177.584 -0.037 0.000 1.156 813 A CA 1.711 53.725 52.037 -0.038 0.000 0.683 813 A CB -0.162 18.820 19.000 -0.031 0.000 0.808 813 A HN 0.631 nan 8.150 nan 0.000 0.455 814 D N -1.680 118.693 120.400 -0.045 0.000 2.363 814 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 814 D C 1.194 177.466 176.300 -0.045 0.000 1.020 814 D CA 0.897 54.871 54.000 -0.042 0.000 0.892 814 D CB -0.657 40.116 40.800 -0.046 0.000 0.900 814 D HN 0.720 nan 8.370 nan 0.000 0.531 815 G N 0.063 108.831 108.800 -0.052 0.000 2.157 815 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 815 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 815 G C 0.407 175.262 174.900 -0.076 0.000 0.979 815 G CA 0.577 45.646 45.100 -0.052 0.000 0.650 815 G HN 0.834 nan 8.290 nan 0.000 0.529 816 T N -1.547 112.944 114.554 -0.106 0.000 2.929 816 T HA 0.706 5.056 4.350 -0.000 0.000 0.284 816 T C -0.033 174.514 174.700 -0.256 0.000 1.014 816 T CA 0.267 62.263 62.100 -0.173 0.000 1.051 816 T CB 2.427 71.197 68.868 -0.163 0.000 1.028 816 T HN 0.283 nan 8.240 nan 0.000 0.485 817 T N 2.334 116.609 114.554 -0.466 0.000 2.859 817 T HA 0.569 4.919 4.350 -0.000 0.000 0.281 817 T C -0.305 173.978 174.700 -0.695 0.000 1.005 817 T CA -0.555 61.204 62.100 -0.568 0.000 1.025 817 T CB 1.402 69.866 68.868 -0.675 0.000 0.977 817 T HN 0.778 nan 8.240 nan 0.000 0.458 818 T N 2.887 117.194 114.554 -0.412 0.000 2.770 818 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 818 T C -0.121 174.453 174.700 -0.210 0.000 0.988 818 T CA -0.510 61.402 62.100 -0.314 0.000 0.957 818 T CB 1.071 69.824 68.868 -0.191 0.000 0.930 818 T HN 0.475 nan 8.240 nan 0.000 0.443 819 T N 3.535 117.997 114.554 -0.153 0.000 2.771 819 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 819 T C -0.000 174.676 174.700 -0.039 0.000 0.982 819 T CA -0.502 61.575 62.100 -0.038 0.000 0.978 819 T CB 0.854 69.770 68.868 0.081 0.000 0.930 819 T HN 0.504 nan 8.240 nan 0.000 0.447 820 T N 3.063 117.622 114.554 0.009 0.000 2.758 820 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 820 T C -0.235 174.515 174.700 0.082 0.000 0.981 820 T CA -0.679 61.446 62.100 0.042 0.000 0.965 820 T CB 1.057 69.937 68.868 0.019 0.000 0.927 820 T HN 0.535 nan 8.240 nan 0.000 0.448 821 V N 2.242 122.238 119.914 0.138 0.000 2.531 821 V HA 0.736 4.856 4.120 -0.000 0.000 0.301 821 V C -0.422 175.725 176.094 0.089 0.000 1.034 821 V CA -0.429 61.947 62.300 0.127 0.000 0.865 821 V CB 1.812 33.747 31.823 0.187 0.000 0.995 821 V HN 0.813 nan 8.190 nan 0.000 0.424 822 T N 8.162 122.748 114.554 0.053 0.000 2.799 822 T HA 0.655 5.004 4.350 -0.000 0.000 0.286 822 T C -0.282 174.428 174.700 0.017 0.000 0.973 822 T CA -0.228 61.892 62.100 0.034 0.000 1.035 822 T CB 0.910 69.794 68.868 0.027 0.000 0.932 822 T HN 0.680 nan 8.240 nan 0.000 0.469 823 L N 3.116 124.343 121.223 0.005 0.000 2.346 823 L HA 0.676 5.016 4.340 -0.000 0.000 0.274 823 L C -0.081 176.786 176.870 -0.004 0.000 1.007 823 L CA -0.938 53.895 54.840 -0.012 0.000 0.818 823 L CB 2.027 44.062 42.059 -0.041 0.000 1.284 823 L HN 0.473 nan 8.230 nan 0.000 0.424 824 K N 2.113 122.509 120.400 -0.007 0.000 2.501 824 K HA 0.267 4.587 4.320 -0.000 0.000 0.252 824 K C -1.029 175.567 176.600 -0.007 0.000 0.934 824 K CA -0.754 55.534 56.287 0.002 0.000 0.797 824 K CB 1.911 34.416 32.500 0.007 0.000 1.270 824 K HN 0.492 nan 8.250 nan 0.000 0.431 825 N N 2.481 121.181 118.700 -0.000 0.000 2.431 825 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 825 N C -0.152 175.355 175.510 -0.004 0.000 1.184 825 N CA 0.367 53.409 53.050 -0.013 0.000 0.943 825 N CB 1.039 39.519 38.487 -0.011 0.000 1.080 825 N HN 0.690 nan 8.380 nan 0.000 0.477 826 T N -0.599 113.948 114.554 -0.012 0.000 3.214 826 T HA 0.123 4.473 4.350 -0.000 0.000 0.264 826 T C 0.712 175.408 174.700 -0.008 0.000 1.012 826 T CA -0.677 61.420 62.100 -0.006 0.000 0.901 826 T CB -0.442 68.421 68.868 -0.008 0.000 1.070 826 T HN 0.365 nan 8.240 nan 0.000 0.561 827 S N -0.074 115.619 115.700 -0.012 0.000 2.610 827 S HA 0.574 5.044 4.470 -0.000 0.000 0.273 827 S C 1.346 175.947 174.600 0.001 0.000 1.274 827 S CA -0.210 57.984 58.200 -0.011 0.000 1.023 827 S CB 1.235 64.421 63.200 -0.024 0.000 0.962 827 S HN 0.349 nan 8.310 nan 0.000 0.523 828 G N 1.044 109.846 108.800 0.003 0.000 3.042 828 G HA2 0.474 4.434 3.960 -0.000 0.000 0.212 828 G HA3 0.474 4.434 3.960 -0.000 0.000 0.212 828 G C 0.520 175.430 174.900 0.017 0.000 1.166 828 G CA 0.001 45.108 45.100 0.011 0.000 0.767 828 G HN 1.006 nan 8.290 nan 0.000 0.546 829 G N -0.182 108.626 108.800 0.014 0.000 2.702 829 G HA2 0.459 4.419 3.960 -0.000 0.000 0.254 829 G HA3 0.459 4.419 3.960 -0.000 0.000 0.254 829 G C 0.399 175.320 174.900 0.035 0.000 1.380 829 G CA -0.821 44.292 45.100 0.021 0.000 1.042 829 G HN 0.110 nan 8.290 nan 0.000 0.557 830 R N -1.150 119.377 120.500 0.045 0.000 2.359 830 R HA 0.307 4.647 4.340 -0.000 0.000 0.231 830 R C 0.263 176.582 176.300 0.032 0.000 0.913 830 R CA -0.145 56.004 56.100 0.081 0.000 1.075 830 R CB -0.008 30.366 30.300 0.122 0.000 1.087 830 R HN 0.166 nan 8.270 nan 0.000 0.515 831 L N 3.331 124.530 121.223 -0.039 0.000 2.319 831 L HA 0.296 4.636 4.340 -0.000 0.000 0.280 831 L C -1.962 174.726 176.870 -0.304 0.000 1.099 831 L CA -2.156 52.601 54.840 -0.138 0.000 0.828 831 L CB 0.713 42.719 42.059 -0.089 0.000 1.150 831 L HN -0.160 nan 8.230 nan 0.000 0.442 832 P HA 0.017 nan 4.420 nan 0.000 0.268 832 P C -0.663 176.371 177.300 -0.444 0.000 1.204 832 P CA -0.313 62.218 63.100 -0.947 0.000 0.768 832 P CB 0.843 31.522 31.700 -1.701 0.000 0.842 833 A N 4.476 127.108 122.820 -0.313 0.000 2.410 833 A HA 0.290 4.610 4.320 -0.000 0.000 0.292 833 A C -0.481 177.050 177.584 -0.088 0.000 1.232 833 A CA -0.177 51.775 52.037 -0.142 0.000 0.893 833 A CB -0.985 17.949 19.000 -0.110 0.000 1.131 833 A HN 0.469 nan 8.150 nan 0.000 0.530 834 F N 3.082 122.922 119.950 -0.183 0.000 2.421 834 F HA 0.454 4.981 4.527 -0.000 0.000 0.337 834 F C 0.107 175.900 175.800 -0.012 0.000 1.105 834 F CA -1.124 56.785 58.000 -0.152 0.000 1.049 834 F CB 0.476 39.369 39.000 -0.178 0.000 1.139 834 F HN 0.655 nan 8.300 nan 0.000 0.479 835 Y N 3.827 123.590 120.300 -0.895 0.000 2.983 835 Y HA -0.164 4.386 4.550 -0.000 0.000 0.185 835 Y C -1.253 174.384 175.900 -0.438 0.000 1.476 835 Y CA 0.280 57.843 58.100 -0.894 0.000 0.866 835 Y CB -1.091 36.533 38.460 -1.392 0.000 1.331 835 Y HN 0.338 nan 8.280 nan 0.000 0.403 836 V N 4.600 124.235 119.914 -0.466 0.000 2.364 836 V HA 0.223 4.343 4.120 -0.000 0.000 0.272 836 V C 0.182 175.989 176.094 -0.479 0.000 1.036 836 V CA -0.552 61.537 62.300 -0.351 0.000 0.880 836 V CB 1.496 33.177 31.823 -0.236 0.000 0.991 836 V HN 0.432 nan 8.190 nan 0.000 0.460 837 D N 3.241 123.399 120.400 -0.405 0.000 2.303 837 D HA 0.383 5.023 4.640 -0.000 0.000 0.236 837 D C -0.473 175.626 176.300 -0.336 0.000 1.068 837 D CA 0.029 53.777 54.000 -0.420 0.000 0.830 837 D CB 1.871 42.527 40.800 -0.239 0.000 1.109 837 D HN 0.465 nan 8.370 nan 0.000 0.496 838 S N 3.197 118.604 115.700 -0.487 0.000 2.451 838 S HA 0.459 4.929 4.470 -0.000 0.000 0.301 838 S C -0.363 174.063 174.600 -0.291 0.000 1.116 838 S CA -0.766 57.190 58.200 -0.405 0.000 1.093 838 S CB 1.343 64.167 63.200 -0.627 0.000 1.017 838 S HN 0.226 nan 8.310 nan 0.000 0.482 839 K N 2.434 122.850 120.400 0.026 0.000 2.507 839 K HA 0.338 4.657 4.320 -0.000 0.000 0.252 839 K C -1.092 175.637 176.600 0.215 0.000 0.943 839 K CA -0.602 55.792 56.287 0.179 0.000 0.808 839 K CB 2.033 34.571 32.500 0.064 0.000 1.142 839 K HN 0.385 nan 8.250 nan 0.000 0.426 840 V N 4.125 124.193 119.914 0.256 0.000 2.450 840 V HA 0.068 4.188 4.120 -0.000 0.000 0.281 840 V C 0.500 176.545 176.094 -0.082 0.000 1.019 840 V CA -0.296 62.001 62.300 -0.006 0.000 1.062 840 V CB 0.490 32.117 31.823 -0.326 0.000 0.979 840 V HN 0.503 nan 8.190 nan 0.000 0.477 841 V N 2.297 122.174 119.914 -0.060 0.000 3.046 841 V HA 0.831 4.951 4.120 -0.000 0.000 0.316 841 V C -0.335 175.718 176.094 -0.068 0.000 1.104 841 V CA -1.016 61.246 62.300 -0.064 0.000 1.006 841 V CB 2.158 33.962 31.823 -0.033 0.000 1.058 841 V HN 0.747 nan 8.190 nan 0.000 0.440 842 D N 0.915 121.278 120.400 -0.062 0.000 2.511 842 D HA 0.268 4.908 4.640 -0.000 0.000 0.276 842 D C 1.488 177.769 176.300 -0.031 0.000 1.220 842 D CA 0.191 54.163 54.000 -0.046 0.000 1.077 842 D CB 0.801 41.573 40.800 -0.047 0.000 1.126 842 D HN 0.823 nan 8.370 nan 0.000 0.583 843 S N -1.303 114.383 115.700 -0.024 0.000 2.442 843 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 843 S C 1.700 176.286 174.600 -0.022 0.000 1.007 843 S CA 0.853 59.041 58.200 -0.019 0.000 0.965 843 S CB -0.772 62.419 63.200 -0.015 0.000 0.773 843 S HN 0.657 nan 8.310 nan 0.000 0.504 844 A N 0.100 122.903 122.820 -0.028 0.000 2.275 844 A HA 0.605 4.925 4.320 -0.000 0.000 0.212 844 A C 1.654 179.218 177.584 -0.034 0.000 1.201 844 A CA 0.447 52.465 52.037 -0.031 0.000 0.843 844 A CB -0.938 18.042 19.000 -0.034 0.000 0.873 844 A HN 1.548 nan 8.150 nan 0.000 0.492 845 G N -0.607 108.173 108.800 -0.034 0.000 2.143 845 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.249 845 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.249 845 G C 0.243 175.118 174.900 -0.041 0.000 0.981 845 G CA 0.373 45.453 45.100 -0.034 0.000 0.665 845 G HN 0.419 nan 8.290 nan 0.000 0.528 846 K N 1.137 121.507 120.400 -0.049 0.000 2.339 846 K HA 0.369 4.689 4.320 -0.000 0.000 0.286 846 K C -2.244 174.318 176.600 -0.062 0.000 1.050 846 K CA -1.803 54.448 56.287 -0.060 0.000 0.956 846 K CB 0.835 33.295 32.500 -0.067 0.000 0.990 846 K HN 0.051 nan 8.250 nan 0.000 0.475 847 P HA -0.037 nan 4.420 nan 0.000 0.266 847 P C -0.693 176.557 177.300 -0.082 0.000 1.195 847 P CA -0.168 62.901 63.100 -0.053 0.000 0.768 847 P CB 0.463 32.148 31.700 -0.026 0.000 0.838 848 V N 5.320 125.153 119.914 -0.135 0.000 2.385 848 V HA 0.280 4.400 4.120 -0.000 0.000 0.269 848 V C 0.411 176.413 176.094 -0.153 0.000 1.043 848 V CA 0.086 62.271 62.300 -0.193 0.000 0.906 848 V CB -0.150 31.443 31.823 -0.384 0.000 0.995 848 V HN 0.342 nan 8.190 nan 0.000 0.467 849 L N 7.117 128.299 121.223 -0.069 0.000 2.388 849 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 849 L C -2.324 174.548 176.870 0.004 0.000 0.998 849 L CA -1.837 53.000 54.840 -0.004 0.000 0.817 849 L CB 2.898 44.980 42.059 0.039 0.000 1.338 849 L HN 0.396 nan 8.230 nan 0.000 0.414 850 P HA 0.281 nan 4.420 nan 0.000 0.274 850 P C -1.218 176.153 177.300 0.119 0.000 1.256 850 P CA -0.351 62.791 63.100 0.071 0.000 0.795 850 P CB 2.042 33.699 31.700 -0.071 0.000 1.038 851 V N -0.323 119.711 119.914 0.200 0.000 3.000 851 V HA 0.312 4.432 4.120 -0.000 0.000 0.300 851 V C -1.533 174.576 176.094 0.025 0.000 1.251 851 V CA -0.542 61.798 62.300 0.068 0.000 0.972 851 V CB 2.272 34.065 31.823 -0.050 0.000 1.065 851 V HN 0.549 nan 8.190 nan 0.000 0.431 852 E N 5.178 125.348 120.200 -0.050 0.000 2.216 852 E HA 0.364 4.714 4.350 -0.000 0.000 0.260 852 E C -1.797 174.755 176.600 -0.081 0.000 0.880 852 E CA -0.326 56.061 56.400 -0.022 0.000 0.765 852 E CB 1.792 31.508 29.700 0.027 0.000 1.174 852 E HN 0.624 nan 8.360 nan 0.000 0.417 853 W N 2.891 124.209 121.300 0.029 0.000 2.449 853 W HA 0.165 4.825 4.660 -0.000 0.000 0.331 853 W C 1.711 178.240 176.519 0.016 0.000 1.119 853 W CA -0.551 56.809 57.345 0.025 0.000 1.240 853 W CB 0.675 30.141 29.460 0.011 0.000 1.251 853 W HN 0.510 nan 8.180 nan 0.000 0.576 854 N N 0.421 119.279 118.700 0.264 0.000 2.188 854 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 854 N C -0.183 175.408 175.510 0.135 0.000 1.018 854 N CA 1.392 54.533 53.050 0.152 0.000 0.858 854 N CB 0.042 38.595 38.487 0.109 0.000 0.989 854 N HN 0.505 nan 8.380 nan 0.000 0.426 855 D N -1.701 118.788 120.400 0.149 0.000 2.599 855 D HA 0.466 5.106 4.640 -0.000 0.000 0.252 855 D C -1.698 174.515 176.300 -0.145 0.000 1.232 855 D CA -0.622 53.392 54.000 0.023 0.000 0.819 855 D CB 1.507 42.313 40.800 0.009 0.000 1.401 855 D HN 0.034 nan 8.370 nan 0.000 0.429 856 N N -0.156 118.331 118.700 -0.356 0.000 3.261 856 N HA 0.524 5.264 4.740 -0.000 0.000 0.248 856 N C -1.482 173.561 175.510 -0.777 0.000 1.498 856 N CA 0.288 52.886 53.050 -0.755 0.000 0.884 856 N CB 1.597 39.350 38.487 -1.223 0.000 1.428 856 N HN 0.916 nan 8.380 nan 0.000 0.517 857 A N -0.073 122.175 122.820 -0.953 0.000 2.519 857 A HA -0.119 4.201 4.320 -0.000 0.000 0.297 857 A C 0.224 177.422 177.584 -0.644 0.000 1.472 857 A CA 0.981 52.430 52.037 -0.980 0.000 0.739 857 A CB -2.480 15.874 19.000 -1.076 0.000 1.096 857 A HN 1.073 nan 8.150 nan 0.000 0.414 858 V N -2.030 117.604 119.914 -0.465 0.000 2.863 858 V HA 0.924 5.044 4.120 -0.000 0.000 0.307 858 V C 0.459 176.450 176.094 -0.172 0.000 1.061 858 V CA -0.132 62.027 62.300 -0.235 0.000 1.024 858 V CB 2.035 33.757 31.823 -0.169 0.000 1.049 858 V HN 1.094 nan 8.190 nan 0.000 0.471 859 S N 3.612 119.304 115.700 -0.012 0.000 2.605 859 S HA 0.738 5.208 4.470 -0.000 0.000 0.308 859 S C -0.706 173.948 174.600 0.090 0.000 1.113 859 S CA -0.495 57.726 58.200 0.035 0.000 1.049 859 S CB 1.018 64.342 63.200 0.206 0.000 1.001 859 S HN 0.701 nan 8.310 nan 0.000 0.480 860 L N 2.676 123.886 121.223 -0.020 0.000 2.356 860 L HA 0.539 4.879 4.340 -0.000 0.000 0.277 860 L C -0.299 176.571 176.870 -0.000 0.000 0.996 860 L CA -0.625 54.259 54.840 0.072 0.000 0.822 860 L CB 1.138 43.212 42.059 0.023 0.000 1.256 860 L HN 0.533 nan 8.230 nan 0.000 0.413 861 W N 2.535 123.815 121.300 -0.034 0.000 2.141 861 W HA 0.279 4.939 4.660 -0.000 0.000 0.354 861 W C -2.079 174.420 176.519 -0.033 0.000 1.297 861 W CA -1.440 55.863 57.345 -0.069 0.000 1.380 861 W CB 1.048 30.440 29.460 -0.112 0.000 1.168 861 W HN 0.145 nan 8.180 nan 0.000 0.639 862 P HA 0.088 nan 4.420 nan 0.000 0.267 862 P C 0.411 177.782 177.300 0.119 0.000 1.205 862 P CA 1.469 64.630 63.100 0.102 0.000 0.765 862 P CB 0.315 32.069 31.700 0.090 0.000 0.828 863 G N 1.528 110.376 108.800 0.080 0.000 2.175 863 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 863 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 863 G C -0.021 174.923 174.900 0.074 0.000 0.982 863 G CA -0.285 44.857 45.100 0.071 0.000 0.641 863 G HN 0.546 nan 8.290 nan 0.000 0.527 864 E N 0.277 120.532 120.200 0.092 0.000 2.222 864 E HA 0.666 5.016 4.350 -0.000 0.000 0.272 864 E C -0.469 176.169 176.600 0.063 0.000 0.982 864 E CA -0.281 56.174 56.400 0.092 0.000 0.842 864 E CB 1.606 31.393 29.700 0.144 0.000 1.144 864 E HN 0.134 nan 8.360 nan 0.000 0.397 865 T N 0.593 115.179 114.554 0.053 0.000 2.903 865 T HA 0.485 4.835 4.350 -0.000 0.000 0.299 865 T C -0.860 173.861 174.700 0.036 0.000 1.093 865 T CA -0.595 61.526 62.100 0.036 0.000 1.002 865 T CB 2.046 70.932 68.868 0.030 0.000 1.127 865 T HN 0.352 nan 8.240 nan 0.000 0.488 866 T N 0.894 115.463 114.554 0.024 0.000 2.894 866 T HA 0.622 4.972 4.350 -0.000 0.000 0.309 866 T C -1.433 173.281 174.700 0.024 0.000 1.208 866 T CA -0.342 61.773 62.100 0.024 0.000 1.016 866 T CB 1.688 70.566 68.868 0.017 0.000 1.192 866 T HN 0.544 nan 8.240 nan 0.000 0.491 867 T N 4.250 118.825 114.554 0.035 0.000 2.815 867 T HA 0.610 4.960 4.350 -0.000 0.000 0.289 867 T C -0.654 174.090 174.700 0.073 0.000 1.000 867 T CA -0.476 61.653 62.100 0.049 0.000 0.958 867 T CB 0.387 69.280 68.868 0.041 0.000 0.944 867 T HN 0.382 nan 8.240 nan 0.000 0.442 868 L N 2.900 124.192 121.223 0.115 0.000 2.331 868 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 868 L C 0.069 177.099 176.870 0.266 0.000 1.022 868 L CA -0.855 54.114 54.840 0.214 0.000 0.812 868 L CB 1.992 44.196 42.059 0.241 0.000 1.257 868 L HN 0.557 nan 8.230 nan 0.000 0.435 869 T N 1.384 116.097 114.554 0.266 0.000 2.841 869 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 869 T C -0.519 174.118 174.700 -0.104 0.000 0.991 869 T CA -0.543 61.600 62.100 0.072 0.000 0.966 869 T CB 1.881 70.763 68.868 0.024 0.000 0.962 869 T HN 0.649 nan 8.240 nan 0.000 0.438 870 A N 3.096 125.634 122.820 -0.470 0.000 2.331 870 A HA 0.793 5.113 4.320 -0.000 0.000 0.320 870 A C -0.363 177.004 177.584 -0.361 0.000 1.138 870 A CA -0.831 50.704 52.037 -0.836 0.000 0.790 870 A CB 1.102 19.056 19.000 -1.744 0.000 1.206 870 A HN 0.719 nan 8.150 nan 0.000 0.470 871 K N 1.725 121.976 120.400 -0.250 0.000 2.244 871 K HA 0.683 5.003 4.320 -0.000 0.000 0.260 871 K C -1.481 175.093 176.600 -0.044 0.000 0.951 871 K CA -0.446 55.724 56.287 -0.194 0.000 0.826 871 K CB 1.002 33.415 32.500 -0.144 0.000 1.108 871 K HN 0.782 nan 8.250 nan 0.000 0.433 872 Y N -0.866 119.347 120.300 -0.145 0.000 2.689 872 Y HA 0.447 4.997 4.550 -0.000 0.000 0.333 872 Y C -1.003 174.851 175.900 -0.077 0.000 1.208 872 Y CA -1.520 56.518 58.100 -0.104 0.000 1.055 872 Y CB 0.748 39.138 38.460 -0.116 0.000 1.304 872 Y HN 0.294 nan 8.280 nan 0.000 0.455 873 R N 1.072 121.641 120.500 0.116 0.000 2.401 873 R HA 0.185 4.525 4.340 -0.000 0.000 0.299 873 R C 0.488 176.847 176.300 0.099 0.000 1.064 873 R CA 0.596 56.720 56.100 0.040 0.000 1.000 873 R CB 0.915 31.236 30.300 0.035 0.000 0.973 873 R HN 0.965 nan 8.270 nan 0.000 0.438 874 T N 2.353 116.901 114.554 -0.011 0.000 2.685 874 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 874 T C 1.906 176.643 174.700 0.061 0.000 1.034 874 T CA 1.906 64.017 62.100 0.018 0.000 1.149 874 T CB -0.083 68.763 68.868 -0.037 0.000 0.860 874 T HN 0.766 nan 8.240 nan 0.000 0.449 875 A N 1.873 124.714 122.820 0.034 0.000 1.978 875 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 875 A C 1.943 179.548 177.584 0.034 0.000 1.170 875 A CA 1.538 53.590 52.037 0.026 0.000 0.636 875 A CB -0.539 18.468 19.000 0.012 0.000 0.810 875 A HN 0.370 nan 8.150 nan 0.000 0.448 876 D N -0.488 119.944 120.400 0.054 0.000 2.392 876 D HA -0.028 4.612 4.640 -0.000 0.000 0.228 876 D C 1.176 177.489 176.300 0.022 0.000 1.003 876 D CA 0.329 54.351 54.000 0.036 0.000 0.917 876 D CB 0.128 40.953 40.800 0.042 0.000 0.890 876 D HN 0.240 nan 8.370 nan 0.000 0.532 877 L N 0.426 121.679 121.223 0.049 0.000 2.341 877 L HA 0.040 4.380 4.340 -0.000 0.000 0.214 877 L C 0.820 177.695 176.870 0.008 0.000 1.115 877 L CA 0.721 55.578 54.840 0.027 0.000 0.820 877 L CB -0.398 41.705 42.059 0.073 0.000 0.944 877 L HN -0.037 nan 8.230 nan 0.000 0.452 878 K N -0.109 120.297 120.400 0.011 0.000 3.077 878 K HA -0.243 4.077 4.320 -0.000 0.000 0.264 878 K C 1.059 177.659 176.600 0.000 0.000 1.008 878 K CA 0.321 56.609 56.287 0.001 0.000 0.740 878 K CB -2.016 30.479 32.500 -0.008 0.000 1.273 878 K HN 0.499 nan 8.250 nan 0.000 0.477 879 G N -0.773 108.031 108.800 0.006 0.000 2.241 879 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.244 879 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.244 879 G C 0.113 175.016 174.900 0.005 0.000 0.998 879 G CA 0.264 45.367 45.100 0.004 0.000 0.621 879 G HN 0.596 nan 8.290 nan 0.000 0.519 880 S N 0.800 116.503 115.700 0.005 0.000 2.548 880 S HA 0.515 4.985 4.470 -0.000 0.000 0.277 880 S C 0.777 175.386 174.600 0.014 0.000 1.315 880 S CA -0.092 58.110 58.200 0.003 0.000 1.050 880 S CB 0.457 63.653 63.200 -0.007 0.000 0.918 880 S HN 0.411 nan 8.310 nan 0.000 0.497 881 K N 4.473 124.880 120.400 0.011 0.000 2.485 881 K HA 0.164 4.484 4.320 -0.000 0.000 0.277 881 K C -2.216 174.397 176.600 0.022 0.000 0.990 881 K CA -0.933 55.365 56.287 0.019 0.000 0.994 881 K CB 0.072 32.579 32.500 0.011 0.000 0.906 881 K HN 0.513 nan 8.250 nan 0.000 0.488 882 P HA 0.147 nan 4.420 nan 0.000 0.282 882 P C -0.931 176.385 177.300 0.028 0.000 1.249 882 P CA -0.407 62.718 63.100 0.041 0.000 0.806 882 P CB 1.562 33.334 31.700 0.120 0.000 0.984 883 S N 0.443 116.150 115.700 0.010 0.000 2.709 883 S HA 0.613 5.083 4.470 -0.000 0.000 0.302 883 S C -0.685 173.933 174.600 0.030 0.000 1.127 883 S CA -0.650 57.561 58.200 0.018 0.000 0.905 883 S CB 1.470 64.673 63.200 0.005 0.000 1.151 883 S HN 0.219 nan 8.310 nan 0.000 0.510 884 V N 1.840 121.780 119.914 0.044 0.000 2.487 884 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 884 V C -0.147 175.967 176.094 0.034 0.000 1.028 884 V CA -0.747 61.596 62.300 0.072 0.000 0.860 884 V CB 1.474 33.370 31.823 0.122 0.000 0.991 884 V HN 0.752 nan 8.190 nan 0.000 0.427 885 R N 4.528 125.043 120.500 0.025 0.000 2.229 885 R HA 0.682 5.022 4.340 -0.000 0.000 0.328 885 R C -1.297 174.983 176.300 -0.032 0.000 1.009 885 R CA -0.437 55.659 56.100 -0.008 0.000 0.864 885 R CB 0.776 31.068 30.300 -0.013 0.000 1.085 885 R HN 0.713 nan 8.270 nan 0.000 0.453 886 I N 3.172 123.713 120.570 -0.049 0.000 2.411 886 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 886 I C -0.661 175.406 176.117 -0.083 0.000 1.012 886 I CA -0.182 61.069 61.300 -0.082 0.000 1.119 886 I CB 2.118 40.073 38.000 -0.074 0.000 1.261 886 I HN 0.519 nan 8.210 nan 0.000 0.448 887 S N 3.666 119.306 115.700 -0.100 0.000 2.478 887 S HA 0.788 5.258 4.470 -0.000 0.000 0.312 887 S C 0.024 174.567 174.600 -0.095 0.000 1.094 887 S CA -0.706 57.443 58.200 -0.085 0.000 1.081 887 S CB 1.827 64.987 63.200 -0.067 0.000 1.007 887 S HN 0.744 nan 8.310 nan 0.000 0.475 888 G N 1.078 109.835 108.800 -0.072 0.000 2.453 888 G HA2 0.419 4.379 3.960 -0.000 0.000 0.323 888 G HA3 0.419 4.379 3.960 -0.000 0.000 0.323 888 G C 0.369 175.287 174.900 0.031 0.000 1.198 888 G CA -0.804 44.272 45.100 -0.039 0.000 0.959 888 G HN 0.787 nan 8.290 nan 0.000 0.482 889 W N 2.170 123.415 121.300 -0.091 0.000 2.321 889 W HA -0.157 4.503 4.660 -0.000 0.000 0.306 889 W C 0.789 177.289 176.519 -0.032 0.000 1.217 889 W CA 1.955 59.261 57.345 -0.066 0.000 1.257 889 W CB 0.232 29.658 29.460 -0.056 0.000 1.145 889 W HN 0.650 nan 8.180 nan 0.000 0.509 890 N N -0.547 118.274 118.700 0.201 0.000 2.291 890 N HA -0.005 4.735 4.740 -0.000 0.000 0.244 890 N C 0.352 175.866 175.510 0.007 0.000 1.216 890 N CA 0.883 53.986 53.050 0.088 0.000 0.879 890 N CB -0.493 38.116 38.487 0.204 0.000 1.167 890 N HN 0.066 nan 8.380 nan 0.000 0.515 891 T N -4.585 109.955 114.554 -0.022 0.000 3.209 891 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 891 T C 0.894 175.558 174.700 -0.060 0.000 0.977 891 T CA 0.247 62.322 62.100 -0.041 0.000 0.922 891 T CB 0.171 69.014 68.868 -0.042 0.000 1.152 891 T HN 0.376 nan 8.240 nan 0.000 0.527 892 G N 1.509 110.261 108.800 -0.080 0.000 2.575 892 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 892 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 892 G C -0.390 174.463 174.900 -0.077 0.000 1.264 892 G CA -0.039 45.009 45.100 -0.087 0.000 0.935 892 G HN 0.908 nan 8.290 nan 0.000 0.568 893 T N 1.340 115.853 114.554 -0.069 0.000 2.928 893 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 893 T C -0.117 174.553 174.700 -0.050 0.000 1.000 893 T CA 0.128 62.191 62.100 -0.061 0.000 0.989 893 T CB 1.670 70.501 68.868 -0.061 0.000 1.005 893 T HN 0.926 nan 8.240 nan 0.000 0.442 894 Q N 0.427 120.201 119.800 -0.045 0.000 2.451 894 Q HA 0.819 5.159 4.340 -0.000 0.000 0.281 894 Q C -0.911 175.071 176.000 -0.029 0.000 1.099 894 Q CA -1.104 54.678 55.803 -0.035 0.000 0.806 894 Q CB 2.152 30.872 28.738 -0.031 0.000 1.419 894 Q HN 0.524 nan 8.270 nan 0.000 0.427 895 T N -0.378 114.163 114.554 -0.021 0.000 2.841 895 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 895 T C -0.683 174.013 174.700 -0.007 0.000 1.000 895 T CA -0.460 61.632 62.100 -0.013 0.000 0.977 895 T CB 1.458 70.318 68.868 -0.013 0.000 0.979 895 T HN 0.837 nan 8.240 nan 0.000 0.446 896 V N 2.544 122.460 119.914 0.003 0.000 2.680 896 V HA 0.878 4.998 4.120 -0.000 0.000 0.309 896 V C -2.752 173.351 176.094 0.014 0.000 1.052 896 V CA -2.824 59.481 62.300 0.007 0.000 0.908 896 V CB 1.545 33.374 31.823 0.011 0.000 1.001 896 V HN 0.809 nan 8.190 nan 0.000 0.431 897 P HA 0.319 nan 4.420 nan 0.000 0.272 897 P C -0.299 177.015 177.300 0.024 0.000 1.223 897 P CA -0.059 63.050 63.100 0.015 0.000 0.784 897 P CB 1.480 33.186 31.700 0.010 0.000 0.923 898 A N -0.020 122.818 122.820 0.030 0.000 3.201 898 A HA 0.637 4.957 4.320 -0.000 0.000 0.312 898 A C 0.137 177.740 177.584 0.031 0.000 1.011 898 A CA 0.415 52.476 52.037 0.039 0.000 0.987 898 A CB -0.687 18.349 19.000 0.060 0.000 1.060 898 A HN 0.725 nan 8.150 nan 0.000 0.505 899 D N 0.000 120.412 120.400 0.020 0.000 6.856 899 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683