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 3l3o_1_D DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREXXXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.553 174.600 -0.079 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 P HA 0.330 nan 4.420 nan 0.000 0.269 2 P C -0.675 176.412 177.300 -0.356 0.000 1.209 2 P CA -0.240 62.700 63.100 -0.267 0.000 0.776 2 P CB 0.374 31.894 31.700 -0.300 0.000 0.876 3 M N 2.971 122.290 119.600 -0.469 0.000 2.326 3 M HA 0.356 4.835 4.480 -0.000 0.000 0.292 3 M C -1.915 174.059 176.300 -0.543 0.000 1.081 3 M CA -0.708 54.371 55.300 -0.368 0.000 0.919 3 M CB 1.440 34.007 32.600 -0.055 0.000 1.634 3 M HN 0.257 nan 8.290 nan 0.000 0.451 4 Y N 1.869 122.027 120.300 -0.236 0.000 2.352 4 Y HA 0.564 5.114 4.550 -0.000 0.000 0.339 4 Y C 0.281 176.020 175.900 -0.268 0.000 0.992 4 Y CA -0.582 57.173 58.100 -0.574 0.000 1.100 4 Y CB 1.810 39.399 38.460 -1.451 0.000 1.192 4 Y HN 0.627 nan 8.280 nan 0.000 0.458 5 S N 2.856 118.529 115.700 -0.045 0.000 2.503 5 S HA 0.754 5.223 4.470 -0.000 0.000 0.301 5 S C -1.274 173.281 174.600 -0.075 0.000 1.087 5 S CA -0.667 57.442 58.200 -0.150 0.000 1.042 5 S CB 1.836 64.951 63.200 -0.143 0.000 1.043 5 S HN 0.467 nan 8.310 nan 0.000 0.489 6 I N 2.487 122.922 120.570 -0.225 0.000 2.406 6 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 6 I C -1.051 174.959 176.117 -0.178 0.000 0.999 6 I CA -1.727 59.525 61.300 -0.079 0.000 1.124 6 I CB 1.265 39.269 38.000 0.007 0.000 1.289 6 I HN 0.777 nan 8.210 nan 0.000 0.441 7 I N 6.798 127.352 120.570 -0.026 0.000 2.439 7 I HA 0.437 4.607 4.170 -0.000 0.000 0.285 7 I C -0.326 175.852 176.117 0.102 0.000 1.021 7 I CA -0.438 60.895 61.300 0.057 0.000 1.091 7 I CB 1.860 39.958 38.000 0.164 0.000 1.242 7 I HN 0.567 nan 8.210 nan 0.000 0.439 8 T N 2.876 117.494 114.554 0.107 0.000 2.887 8 T HA 0.606 4.956 4.350 -0.000 0.000 0.292 8 T C -2.995 171.767 174.700 0.104 0.000 1.087 8 T CA -2.554 59.611 62.100 0.109 0.000 1.009 8 T CB 2.086 71.023 68.868 0.116 0.000 1.203 8 T HN 0.080 nan 8.240 nan 0.000 0.518 9 P HA 0.252 nan 4.420 nan 0.000 0.268 9 P C 0.619 177.958 177.300 0.064 0.000 1.205 9 P CA -0.208 62.926 63.100 0.057 0.000 0.771 9 P CB 0.362 32.075 31.700 0.021 0.000 0.858 10 N N 1.610 120.345 118.700 0.059 0.000 2.258 10 N HA -0.094 4.646 4.740 -0.000 0.000 0.187 10 N C 0.263 175.805 175.510 0.053 0.000 1.012 10 N CA 1.331 54.418 53.050 0.060 0.000 0.870 10 N CB -0.125 38.394 38.487 0.055 0.000 0.977 10 N HN 0.430 nan 8.380 nan 0.000 0.434 11 I N 0.615 121.204 120.570 0.032 0.000 2.611 11 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 11 I C -0.559 175.553 176.117 -0.008 0.000 1.184 11 I CA -0.522 60.785 61.300 0.012 0.000 1.054 11 I CB 1.941 39.935 38.000 -0.011 0.000 1.257 11 I HN -0.218 nan 8.210 nan 0.000 0.435 12 L N 5.550 126.780 121.223 0.012 0.000 2.567 12 L HA 0.591 4.931 4.340 -0.000 0.000 0.238 12 L C 0.018 176.864 176.870 -0.040 0.000 1.168 12 L CA -0.733 54.116 54.840 0.016 0.000 0.817 12 L CB 0.567 42.690 42.059 0.106 0.000 1.409 12 L HN 0.515 nan 8.230 nan 0.000 0.502 13 R N -0.252 120.225 120.500 -0.039 0.000 2.698 13 R HA 0.572 4.912 4.340 -0.000 0.000 0.275 13 R C -1.525 174.762 176.300 -0.022 0.000 1.001 13 R CA -0.826 55.229 56.100 -0.076 0.000 0.896 13 R CB 1.765 31.955 30.300 -0.183 0.000 1.218 13 R HN 0.349 nan 8.270 nan 0.000 0.462 14 L N 2.121 123.333 121.223 -0.018 0.000 2.417 14 L HA 0.247 4.587 4.340 -0.000 0.000 0.268 14 L C 0.408 177.269 176.870 -0.015 0.000 1.158 14 L CA -0.047 54.791 54.840 -0.003 0.000 0.819 14 L CB 0.430 42.486 42.059 -0.005 0.000 1.112 14 L HN 0.777 nan 8.230 nan 0.000 0.458 15 E N -0.372 119.823 120.200 -0.007 0.000 2.883 15 E HA -0.224 4.126 4.350 -0.000 0.000 0.271 15 E C -0.297 176.285 176.600 -0.031 0.000 1.049 15 E CA 0.741 57.127 56.400 -0.023 0.000 0.817 15 E CB -1.154 28.517 29.700 -0.050 0.000 1.407 15 E HN 0.734 nan 8.360 nan 0.000 0.434 16 S N -0.751 114.932 115.700 -0.029 0.000 2.569 16 S HA 0.463 4.933 4.470 -0.000 0.000 0.280 16 S C -0.470 174.081 174.600 -0.082 0.000 1.111 16 S CA -1.076 57.096 58.200 -0.046 0.000 0.887 16 S CB 2.296 65.472 63.200 -0.040 0.000 1.095 16 S HN 0.143 nan 8.310 nan 0.000 0.476 17 E N 1.278 121.415 120.200 -0.104 0.000 2.344 17 E HA 0.287 4.637 4.350 -0.000 0.000 0.270 17 E C -0.192 176.239 176.600 -0.281 0.000 1.021 17 E CA -0.140 56.150 56.400 -0.182 0.000 0.887 17 E CB 0.570 30.191 29.700 -0.132 0.000 0.997 17 E HN 0.513 nan 8.360 nan 0.000 0.429 18 E N 1.200 121.067 120.200 -0.554 0.000 2.355 18 E HA 0.499 4.849 4.350 -0.000 0.000 0.261 18 E C -0.768 175.439 176.600 -0.655 0.000 0.943 18 E CA -0.719 55.319 56.400 -0.605 0.000 0.806 18 E CB 2.227 31.508 29.700 -0.698 0.000 1.286 18 E HN 0.310 nan 8.360 nan 0.000 0.424 19 T N 1.213 115.541 114.554 -0.378 0.000 2.933 19 T HA 0.607 4.957 4.350 -0.000 0.000 0.305 19 T C -0.326 174.350 174.700 -0.041 0.000 1.092 19 T CA -0.756 61.228 62.100 -0.193 0.000 1.008 19 T CB 1.165 69.968 68.868 -0.108 0.000 1.102 19 T HN 0.489 nan 8.240 nan 0.000 0.469 20 M N 1.103 120.735 119.600 0.054 0.000 2.484 20 M HA 0.777 5.257 4.480 -0.000 0.000 0.289 20 M C -1.844 174.512 176.300 0.093 0.000 1.206 20 M CA -0.994 54.367 55.300 0.103 0.000 0.892 20 M CB 1.879 34.581 32.600 0.169 0.000 1.712 20 M HN 0.286 nan 8.290 nan 0.000 0.462 21 V N 4.121 124.097 119.914 0.103 0.000 2.406 21 V HA 0.409 4.529 4.120 -0.000 0.000 0.272 21 V C -0.173 176.003 176.094 0.137 0.000 1.043 21 V CA -0.533 61.836 62.300 0.115 0.000 0.915 21 V CB 0.705 32.614 31.823 0.143 0.000 0.988 21 V HN 0.776 nan 8.190 nan 0.000 0.466 22 L N 5.097 126.407 121.223 0.146 0.000 2.289 22 L HA 0.661 5.001 4.340 -0.000 0.000 0.285 22 L C 0.116 177.105 176.870 0.199 0.000 1.049 22 L CA -0.151 54.825 54.840 0.227 0.000 0.804 22 L CB 1.040 43.225 42.059 0.210 0.000 1.195 22 L HN 0.636 nan 8.230 nan 0.000 0.428 23 E N 1.899 122.207 120.200 0.178 0.000 2.314 23 E HA 0.664 5.014 4.350 -0.000 0.000 0.272 23 E C -1.228 175.242 176.600 -0.216 0.000 0.884 23 E CA -0.898 55.478 56.400 -0.040 0.000 0.753 23 E CB 2.609 32.235 29.700 -0.123 0.000 1.213 23 E HN 0.637 nan 8.360 nan 0.000 0.432 24 A N 3.255 125.929 122.820 -0.244 0.000 2.293 24 A HA 0.380 4.700 4.320 -0.000 0.000 0.312 24 A C -1.036 176.292 177.584 -0.428 0.000 1.309 24 A CA -0.677 51.139 52.037 -0.368 0.000 0.839 24 A CB 0.310 19.169 19.000 -0.236 0.000 1.155 24 A HN 0.542 nan 8.150 nan 0.000 0.501 25 H N 2.206 121.141 119.070 -0.224 0.000 2.652 25 H HA 0.235 4.791 4.556 -0.000 0.000 0.298 25 H C -0.546 174.685 175.328 -0.161 0.000 1.076 25 H CA 0.326 56.333 56.048 -0.068 0.000 1.360 25 H CB 1.079 30.850 29.762 0.014 0.000 1.421 25 H HN 0.832 nan 8.280 nan 0.000 0.464 26 D N 0.484 120.902 120.400 0.029 0.000 3.091 26 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 26 D C 0.120 176.351 176.300 -0.115 0.000 1.129 26 D CA 1.011 55.002 54.000 -0.015 0.000 0.913 26 D CB -1.066 39.728 40.800 -0.010 0.000 1.101 26 D HN 0.715 nan 8.370 nan 0.000 0.426 27 A N -0.353 122.316 122.820 -0.252 0.000 2.299 27 A HA 0.728 5.048 4.320 -0.000 0.000 0.332 27 A C 0.162 177.629 177.584 -0.194 0.000 1.131 27 A CA -0.519 51.373 52.037 -0.241 0.000 0.844 27 A CB 1.436 20.259 19.000 -0.295 0.000 1.251 27 A HN -0.051 nan 8.150 nan 0.000 0.486 28 Q N -0.014 119.742 119.800 -0.074 0.000 2.306 28 Q HA 0.546 4.886 4.340 -0.000 0.000 0.265 28 Q C 0.442 176.470 176.000 0.045 0.000 1.022 28 Q CA 0.393 56.204 55.803 0.012 0.000 0.853 28 Q CB 1.629 30.380 28.738 0.022 0.000 1.327 28 Q HN 1.804 nan 8.270 nan 0.000 0.449 29 G N 2.453 111.310 108.800 0.095 0.000 2.907 29 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.242 29 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.242 29 G C -0.962 174.006 174.900 0.114 0.000 1.448 29 G CA -0.497 44.658 45.100 0.093 0.000 0.911 29 G HN 0.632 nan 8.290 nan 0.000 0.553 30 D N -0.807 119.649 120.400 0.094 0.000 2.455 30 D HA 0.397 5.037 4.640 -0.000 0.000 0.241 30 D C 0.443 176.800 176.300 0.096 0.000 1.138 30 D CA 0.208 54.267 54.000 0.099 0.000 0.877 30 D CB 1.347 42.188 40.800 0.068 0.000 1.187 30 D HN 0.500 nan 8.370 nan 0.000 0.451 31 V N 4.233 124.219 119.914 0.119 0.000 2.409 31 V HA 0.326 4.446 4.120 -0.000 0.000 0.290 31 V C -2.336 173.826 176.094 0.112 0.000 1.017 31 V CA -1.632 60.743 62.300 0.125 0.000 0.841 31 V CB 1.845 33.778 31.823 0.183 0.000 1.003 31 V HN 0.425 nan 8.190 nan 0.000 0.426 32 P HA 0.472 nan 4.420 nan 0.000 0.285 32 P C -1.037 176.263 177.300 -0.001 0.000 1.259 32 P CA -0.298 62.822 63.100 0.032 0.000 0.794 32 P CB 1.435 33.143 31.700 0.014 0.000 0.940 33 V N 2.127 122.016 119.914 -0.042 0.000 2.709 33 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 33 V C 0.047 176.045 176.094 -0.160 0.000 1.062 33 V CA -0.597 61.606 62.300 -0.162 0.000 0.901 33 V CB 2.167 33.840 31.823 -0.250 0.000 1.003 33 V HN 0.668 nan 8.190 nan 0.000 0.425 34 T N 1.160 115.594 114.554 -0.201 0.000 2.829 34 T HA 0.836 5.186 4.350 -0.000 0.000 0.280 34 T C -0.911 173.674 174.700 -0.192 0.000 0.999 34 T CA -0.668 61.340 62.100 -0.152 0.000 0.983 34 T CB 1.678 70.479 68.868 -0.110 0.000 0.968 34 T HN 0.392 nan 8.240 nan 0.000 0.446 35 V N 3.090 122.910 119.914 -0.158 0.000 2.656 35 V HA 0.743 4.863 4.120 -0.000 0.000 0.307 35 V C -0.132 175.854 176.094 -0.179 0.000 1.051 35 V CA -0.620 61.576 62.300 -0.174 0.000 0.893 35 V CB 2.199 33.927 31.823 -0.158 0.000 0.999 35 V HN 1.186 nan 8.190 nan 0.000 0.426 36 T N 3.306 117.736 114.554 -0.206 0.000 2.952 36 T HA 0.609 4.959 4.350 -0.000 0.000 0.305 36 T C -0.782 173.691 174.700 -0.378 0.000 1.064 36 T CA -0.469 61.459 62.100 -0.288 0.000 1.008 36 T CB 1.921 70.653 68.868 -0.226 0.000 1.078 36 T HN 0.380 nan 8.240 nan 0.000 0.459 37 V N 3.820 123.436 119.914 -0.497 0.000 2.513 37 V HA 0.576 4.696 4.120 -0.000 0.000 0.299 37 V C -0.446 175.323 176.094 -0.541 0.000 1.035 37 V CA -0.882 61.164 62.300 -0.423 0.000 0.889 37 V CB 1.425 33.010 31.823 -0.397 0.000 0.988 37 V HN 0.854 nan 8.190 nan 0.000 0.440 38 H N 2.208 121.252 119.070 -0.043 0.000 2.690 38 H HA 0.344 4.900 4.556 -0.000 0.000 0.368 38 H C -0.720 174.635 175.328 0.045 0.000 1.150 38 H CA -0.725 55.321 56.048 -0.004 0.000 1.174 38 H CB 2.237 32.001 29.762 0.004 0.000 1.684 38 H HN 0.910 nan 8.280 nan 0.000 0.538 39 D N 1.304 121.802 120.400 0.162 0.000 2.364 39 D HA -0.034 4.606 4.640 -0.000 0.000 0.236 39 D C -0.604 175.831 176.300 0.225 0.000 1.221 39 D CA 0.209 54.301 54.000 0.155 0.000 0.891 39 D CB 1.079 41.937 40.800 0.097 0.000 1.190 39 D HN 0.246 nan 8.370 nan 0.000 0.449 40 F N 0.533 120.531 119.950 0.079 0.000 2.529 40 F HA 0.480 5.007 4.527 -0.000 0.000 0.320 40 F C -2.524 173.322 175.800 0.076 0.000 1.118 40 F CA -1.680 56.367 58.000 0.079 0.000 0.915 40 F CB 1.775 40.842 39.000 0.111 0.000 1.161 40 F HN 0.195 nan 8.300 nan 0.000 0.445 41 P HA 0.849 nan 4.420 nan 0.000 0.284 41 P C -0.200 176.912 177.300 -0.312 0.000 1.287 41 P CA -0.027 62.547 63.100 -0.876 0.000 0.824 41 P CB 1.524 32.555 31.700 -1.115 0.000 1.180 42 G N -0.254 108.404 108.800 -0.237 0.000 2.456 42 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.204 42 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.204 42 G C -1.396 173.443 174.900 -0.103 0.000 1.193 42 G CA -0.615 44.403 45.100 -0.137 0.000 1.220 42 G HN 0.664 nan 8.290 nan 0.000 0.565 43 K N -0.089 120.275 120.400 -0.060 0.000 2.589 43 K HA 0.521 4.841 4.320 -0.000 0.000 0.253 43 K C -0.164 176.464 176.600 0.047 0.000 0.974 43 K CA -0.520 55.746 56.287 -0.035 0.000 0.835 43 K CB 2.175 34.605 32.500 -0.116 0.000 1.272 43 K HN 0.463 nan 8.250 nan 0.000 0.444 44 K N 2.113 122.593 120.400 0.133 0.000 2.491 44 K HA 0.184 4.504 4.320 -0.000 0.000 0.211 44 K C -0.037 176.626 176.600 0.104 0.000 1.210 44 K CA -0.067 56.274 56.287 0.090 0.000 1.003 44 K CB 0.486 33.021 32.500 0.058 0.000 1.009 44 K HN 0.514 nan 8.250 nan 0.000 0.577 45 L N 1.113 122.473 121.223 0.229 0.000 3.660 45 L HA -0.202 4.138 4.340 -0.000 0.000 0.440 45 L C 0.482 177.285 176.870 -0.112 0.000 1.262 45 L CA 0.398 55.249 54.840 0.019 0.000 0.837 45 L CB -1.249 40.864 42.059 0.090 0.000 1.689 45 L HN 0.113 nan 8.230 nan 0.000 0.890 46 V N -1.969 117.869 119.914 -0.127 0.000 2.720 46 V HA 0.028 4.147 4.120 -0.000 0.000 0.256 46 V C 1.094 177.115 176.094 -0.122 0.000 1.082 46 V CA 1.611 63.855 62.300 -0.093 0.000 1.101 46 V CB -0.430 31.353 31.823 -0.066 0.000 0.693 46 V HN 0.540 nan 8.190 nan 0.000 0.479 47 L N 0.320 121.420 121.223 -0.204 0.000 2.849 47 L HA 0.421 4.760 4.340 -0.000 0.000 0.256 47 L C 0.317 177.050 176.870 -0.228 0.000 0.951 47 L CA 0.567 55.297 54.840 -0.183 0.000 1.003 47 L CB 1.850 43.796 42.059 -0.189 0.000 1.408 47 L HN 0.175 nan 8.230 nan 0.000 0.463 48 S N -1.049 114.558 115.700 -0.154 0.000 2.628 48 S HA -0.027 4.443 4.470 -0.000 0.000 0.246 48 S C 1.607 176.155 174.600 -0.085 0.000 1.062 48 S CA 0.341 58.458 58.200 -0.138 0.000 1.028 48 S CB 0.517 63.650 63.200 -0.112 0.000 0.985 48 S HN 0.689 nan 8.310 nan 0.000 0.551 49 S N 2.210 117.874 115.700 -0.060 0.000 2.407 49 S HA -0.153 4.316 4.470 -0.000 0.000 0.235 49 S C 0.610 175.193 174.600 -0.029 0.000 1.036 49 S CA 0.929 59.109 58.200 -0.034 0.000 1.013 49 S CB -0.757 62.432 63.200 -0.018 0.000 0.820 49 S HN 0.556 nan 8.310 nan 0.000 0.476 50 E N 1.887 122.068 120.200 -0.031 0.000 2.316 50 E HA 0.509 4.858 4.350 -0.000 0.000 0.275 50 E C -0.568 176.010 176.600 -0.035 0.000 1.029 50 E CA 0.066 56.456 56.400 -0.017 0.000 0.871 50 E CB 1.032 30.739 29.700 0.011 0.000 1.022 50 E HN 0.432 nan 8.360 nan 0.000 0.418 51 K N 0.771 121.156 120.400 -0.026 0.000 2.469 51 K HA 0.560 4.880 4.320 -0.000 0.000 0.254 51 K C -0.777 175.812 176.600 -0.019 0.000 0.939 51 K CA -0.494 55.773 56.287 -0.034 0.000 0.812 51 K CB 2.372 34.854 32.500 -0.030 0.000 1.301 51 K HN 0.405 nan 8.250 nan 0.000 0.433 52 T N 0.379 114.920 114.554 -0.022 0.000 2.786 52 T HA 0.493 4.842 4.350 -0.000 0.000 0.316 52 T C -1.926 172.781 174.700 0.012 0.000 1.503 52 T CA -0.570 61.530 62.100 -0.001 0.000 1.019 52 T CB 1.310 70.183 68.868 0.007 0.000 1.415 52 T HN 0.179 nan 8.240 nan 0.000 0.496 53 V N 3.303 123.236 119.914 0.032 0.000 2.656 53 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 53 V C -0.406 175.735 176.094 0.079 0.000 1.051 53 V CA -0.930 61.403 62.300 0.055 0.000 0.893 53 V CB 1.844 33.693 31.823 0.044 0.000 0.999 53 V HN 0.747 nan 8.190 nan 0.000 0.426 54 L N 3.698 124.996 121.223 0.125 0.000 2.315 54 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 54 L C 0.485 177.458 176.870 0.173 0.000 1.088 54 L CA -0.050 54.882 54.840 0.154 0.000 0.899 54 L CB 0.462 42.654 42.059 0.221 0.000 1.277 54 L HN 0.677 nan 8.230 nan 0.000 0.431 55 T N 2.935 117.538 114.554 0.082 0.000 2.918 55 T HA 0.090 4.439 4.350 -0.000 0.000 0.302 55 T C -1.502 173.168 174.700 -0.050 0.000 1.045 55 T CA -0.931 61.196 62.100 0.045 0.000 1.114 55 T CB 1.172 70.044 68.868 0.008 0.000 0.965 55 T HN 0.302 nan 8.240 nan 0.000 0.540 56 P HA -0.050 nan 4.420 nan 0.000 0.223 56 P C 1.226 178.403 177.300 -0.205 0.000 1.144 56 P CA 0.558 63.527 63.100 -0.219 0.000 0.783 56 P CB 0.003 31.693 31.700 -0.018 0.000 0.771 57 A N -0.047 122.705 122.820 -0.115 0.000 1.845 57 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 57 A C 1.884 179.395 177.584 -0.121 0.000 1.195 57 A CA 2.418 54.401 52.037 -0.090 0.000 0.616 57 A CB -1.853 17.117 19.000 -0.049 0.000 0.832 57 A HN 0.323 nan 8.150 nan 0.000 0.443 58 T N -3.042 111.437 114.554 -0.124 0.000 3.327 58 T HA 0.272 4.622 4.350 -0.000 0.000 0.241 58 T C 0.092 174.674 174.700 -0.195 0.000 0.907 58 T CA 0.158 62.187 62.100 -0.120 0.000 0.931 58 T CB -1.010 67.819 68.868 -0.065 0.000 1.112 58 T HN 0.409 nan 8.240 nan 0.000 0.589 59 N N 3.059 121.567 118.700 -0.320 0.000 2.686 59 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 59 N C -0.303 174.967 175.510 -0.400 0.000 1.082 59 N CA 1.299 54.074 53.050 -0.459 0.000 0.725 59 N CB -1.781 36.502 38.487 -0.340 0.000 1.009 59 N HN 0.813 nan 8.380 nan 0.000 0.545 60 H N -3.899 115.119 119.070 -0.086 0.000 2.826 60 H HA -0.205 4.351 4.556 -0.000 0.000 0.306 60 H C 0.005 175.292 175.328 -0.069 0.000 1.235 60 H CA 1.182 57.191 56.048 -0.065 0.000 1.150 60 H CB -1.741 27.966 29.762 -0.091 0.000 1.409 60 H HN 0.483 nan 8.280 nan 0.000 0.420 61 M N 0.718 120.326 119.600 0.014 0.000 2.181 61 M HA 0.460 4.940 4.480 -0.000 0.000 0.323 61 M C 0.834 177.159 176.300 0.042 0.000 1.004 61 M CA -0.213 55.099 55.300 0.020 0.000 0.941 61 M CB 2.160 34.746 32.600 -0.023 0.000 1.579 61 M HN 0.372 nan 8.290 nan 0.000 0.427 62 G N 2.649 111.494 108.800 0.075 0.000 2.410 62 G HA2 0.436 4.395 3.960 -0.000 0.000 0.330 62 G HA3 0.436 4.395 3.960 -0.000 0.000 0.330 62 G C -0.827 174.106 174.900 0.056 0.000 1.142 62 G CA -0.532 44.612 45.100 0.074 0.000 0.902 62 G HN 0.697 nan 8.290 nan 0.000 0.491 63 N N 0.270 118.994 118.700 0.040 0.000 2.417 63 N HA 0.377 5.117 4.740 -0.000 0.000 0.274 63 N C -1.188 174.344 175.510 0.036 0.000 0.987 63 N CA -0.271 52.797 53.050 0.030 0.000 0.912 63 N CB 2.438 40.934 38.487 0.014 0.000 1.177 63 N HN 0.117 nan 8.380 nan 0.000 0.490 64 V N 2.477 122.417 119.914 0.044 0.000 2.357 64 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 64 V C -0.120 175.993 176.094 0.032 0.000 1.018 64 V CA -0.440 61.908 62.300 0.079 0.000 0.841 64 V CB 1.430 33.340 31.823 0.144 0.000 0.991 64 V HN 0.722 nan 8.190 nan 0.000 0.437 65 T N 3.323 117.901 114.554 0.041 0.000 2.840 65 T HA 0.824 5.174 4.350 -0.000 0.000 0.287 65 T C -0.860 173.874 174.700 0.058 0.000 0.991 65 T CA -0.551 61.524 62.100 -0.042 0.000 0.964 65 T CB 1.219 70.067 68.868 -0.033 0.000 0.954 65 T HN 0.578 nan 8.240 nan 0.000 0.438 66 F N -0.855 119.079 119.950 -0.026 0.000 2.668 66 F HA 0.829 5.356 4.527 -0.000 0.000 0.309 66 F C -1.286 174.496 175.800 -0.030 0.000 1.117 66 F CA -1.226 56.754 58.000 -0.032 0.000 0.951 66 F CB 1.289 40.264 39.000 -0.041 0.000 1.323 66 F HN 0.456 nan 8.300 nan 0.000 0.451 67 T N 3.571 118.292 114.554 0.277 0.000 2.930 67 T HA 0.496 4.846 4.350 -0.000 0.000 0.313 67 T C -0.389 174.417 174.700 0.177 0.000 1.019 67 T CA -0.295 61.901 62.100 0.159 0.000 1.004 67 T CB 0.738 69.636 68.868 0.050 0.000 0.987 67 T HN 0.640 nan 8.240 nan 0.000 0.456 68 I N 5.252 125.945 120.570 0.205 0.000 2.436 68 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 68 I C -1.839 174.308 176.117 0.051 0.000 1.083 68 I CA -1.913 59.451 61.300 0.106 0.000 1.372 68 I CB 0.534 38.600 38.000 0.110 0.000 1.408 68 I HN 0.299 nan 8.210 nan 0.000 0.516 69 P HA 0.116 nan 4.420 nan 0.000 0.282 69 P C -0.644 176.662 177.300 0.009 0.000 1.286 69 P CA -0.456 62.652 63.100 0.013 0.000 0.777 69 P CB 0.595 32.299 31.700 0.007 0.000 1.184 70 A N 0.425 123.247 122.820 0.004 0.000 3.165 70 A HA 0.300 4.620 4.320 -0.000 0.000 0.331 70 A C -0.087 177.501 177.584 0.006 0.000 1.034 70 A CA -0.373 51.667 52.037 0.004 0.000 0.906 70 A CB -1.047 17.954 19.000 0.000 0.000 1.054 70 A HN 0.329 nan 8.150 nan 0.000 0.484 71 N N 0.763 119.467 118.700 0.007 0.000 2.354 71 N HA 0.121 4.861 4.740 -0.000 0.000 0.246 71 N C 0.200 175.715 175.510 0.009 0.000 1.285 71 N CA -0.064 52.991 53.050 0.008 0.000 0.925 71 N CB 0.363 38.855 38.487 0.008 0.000 1.174 71 N HN 0.467 nan 8.380 nan 0.000 0.478 72 R N 1.766 122.272 120.500 0.009 0.000 2.543 72 R HA -0.068 4.272 4.340 -0.000 0.000 0.348 72 R C 0.537 176.843 176.300 0.010 0.000 0.981 72 R CA 0.185 56.290 56.100 0.009 0.000 1.019 72 R CB -0.522 29.782 30.300 0.008 0.000 0.944 72 R HN 0.649 nan 8.270 nan 0.000 0.425 79 G N 1.090 109.879 108.800 -0.017 0.000 2.234 79 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 79 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 79 G C -0.271 174.624 174.900 -0.009 0.000 0.987 79 G CA 0.822 45.914 45.100 -0.014 0.000 0.625 79 G HN 0.337 nan 8.290 nan 0.000 0.532 80 R N 0.786 121.282 120.500 -0.006 0.000 2.360 80 R HA 0.341 4.681 4.340 -0.000 0.000 0.318 80 R C -0.472 175.809 176.300 -0.032 0.000 0.950 80 R CA -0.957 55.147 56.100 0.007 0.000 0.837 80 R CB 0.625 30.948 30.300 0.039 0.000 1.165 80 R HN 0.196 nan 8.270 nan 0.000 0.458 81 N N 3.074 121.725 118.700 -0.083 0.000 2.219 81 N HA -0.086 4.654 4.740 -0.000 0.000 0.263 81 N C -0.447 174.845 175.510 -0.363 0.000 1.269 81 N CA 0.850 53.735 53.050 -0.275 0.000 0.831 81 N CB 0.454 38.686 38.487 -0.425 0.000 1.059 81 N HN 0.319 nan 8.380 nan 0.000 0.475 82 K N 1.604 121.801 120.400 -0.339 0.000 2.174 82 K HA 0.410 4.730 4.320 -0.000 0.000 0.275 82 K C -0.392 175.961 176.600 -0.412 0.000 1.015 82 K CA -0.163 56.000 56.287 -0.208 0.000 0.933 82 K CB 0.789 33.242 32.500 -0.079 0.000 1.025 82 K HN 0.306 nan 8.250 nan 0.000 0.463 83 F N 0.089 120.075 119.950 0.060 0.000 2.679 83 F HA 0.538 5.065 4.527 -0.000 0.000 0.341 83 F C -0.186 175.633 175.800 0.031 0.000 1.095 83 F CA -0.923 57.065 58.000 -0.020 0.000 1.004 83 F CB 1.587 40.465 39.000 -0.202 0.000 1.388 83 F HN 0.190 nan 8.300 nan 0.000 0.505 84 V N -2.158 117.879 119.914 0.205 0.000 3.087 84 V HA 0.715 4.834 4.120 -0.000 0.000 0.306 84 V C -1.090 175.040 176.094 0.061 0.000 1.187 84 V CA -0.934 61.453 62.300 0.146 0.000 0.999 84 V CB 1.337 33.205 31.823 0.075 0.000 1.049 84 V HN 0.690 nan 8.190 nan 0.000 0.431 85 T N 2.095 116.723 114.554 0.122 0.000 2.788 85 T HA 0.632 4.982 4.350 -0.000 0.000 0.296 85 T C -0.113 174.618 174.700 0.051 0.000 1.009 85 T CA -0.419 61.735 62.100 0.090 0.000 0.949 85 T CB 1.069 70.065 68.868 0.212 0.000 0.946 85 T HN 0.749 nan 8.240 nan 0.000 0.453 86 V N 3.436 123.342 119.914 -0.013 0.000 2.686 86 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 86 V C 0.206 176.280 176.094 -0.034 0.000 1.057 86 V CA -0.685 61.574 62.300 -0.069 0.000 1.012 86 V CB 1.327 33.099 31.823 -0.085 0.000 1.006 86 V HN 0.849 nan 8.190 nan 0.000 0.477 87 Q N 1.887 121.650 119.800 -0.062 0.000 2.350 87 Q HA 0.652 4.991 4.340 -0.000 0.000 0.255 87 Q C -0.998 174.933 176.000 -0.116 0.000 0.951 87 Q CA -0.392 55.386 55.803 -0.041 0.000 0.751 87 Q CB 1.806 30.568 28.738 0.039 0.000 1.296 87 Q HN 0.985 nan 8.270 nan 0.000 0.453 88 A N 2.555 125.281 122.820 -0.158 0.000 2.287 88 A HA 0.655 4.974 4.320 -0.000 0.000 0.317 88 A C -0.564 176.752 177.584 -0.446 0.000 1.220 88 A CA -0.427 51.409 52.037 -0.334 0.000 0.835 88 A CB 1.074 19.838 19.000 -0.393 0.000 1.180 88 A HN 0.547 nan 8.150 nan 0.000 0.500 89 T N 3.272 117.554 114.554 -0.453 0.000 2.874 89 T HA 0.447 4.797 4.350 -0.000 0.000 0.321 89 T C -0.648 173.790 174.700 -0.436 0.000 1.075 89 T CA 0.064 61.959 62.100 -0.341 0.000 0.966 89 T CB -0.480 68.284 68.868 -0.173 0.000 1.001 89 T HN 0.360 nan 8.240 nan 0.000 0.476 90 F N 2.667 122.441 119.950 -0.294 0.000 2.444 90 F HA 0.487 5.013 4.527 -0.000 0.000 0.360 90 F C 1.658 177.270 175.800 -0.313 0.000 1.106 90 F CA -0.048 57.726 58.000 -0.377 0.000 1.170 90 F CB 0.084 38.582 39.000 -0.837 0.000 1.113 90 F HN 0.849 nan 8.300 nan 0.000 0.521 91 G N 2.950 111.733 108.800 -0.028 0.000 2.686 91 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.329 91 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.329 91 G C 1.055 175.934 174.900 -0.035 0.000 1.187 91 G CA 0.979 46.069 45.100 -0.018 0.000 0.965 91 G HN 0.561 nan 8.290 nan 0.000 0.549 92 T N 1.002 115.540 114.554 -0.027 0.000 3.018 92 T HA 0.271 4.621 4.350 -0.000 0.000 0.246 92 T C 1.060 175.743 174.700 -0.028 0.000 1.026 92 T CA 1.151 63.237 62.100 -0.023 0.000 1.081 92 T CB 0.104 68.970 68.868 -0.004 0.000 0.970 92 T HN 0.636 nan 8.240 nan 0.000 0.475 93 Q N 2.324 122.102 119.800 -0.038 0.000 2.349 93 Q HA 0.179 4.519 4.340 -0.000 0.000 0.287 93 Q C -0.859 175.134 176.000 -0.011 0.000 1.044 93 Q CA 0.266 56.055 55.803 -0.024 0.000 0.918 93 Q CB 0.510 29.209 28.738 -0.065 0.000 1.242 93 Q HN 0.177 nan 8.270 nan 0.000 0.405 94 V N 6.052 125.979 119.914 0.023 0.000 2.398 94 V HA 0.508 4.627 4.120 -0.000 0.000 0.282 94 V C -1.251 174.873 176.094 0.050 0.000 1.014 94 V CA -0.579 61.728 62.300 0.012 0.000 0.838 94 V CB 1.628 33.444 31.823 -0.011 0.000 1.018 94 V HN 0.620 nan 8.190 nan 0.000 0.432 95 V N 6.778 126.744 119.914 0.087 0.000 2.612 95 V HA 0.754 4.874 4.120 -0.000 0.000 0.301 95 V C -0.151 175.968 176.094 0.041 0.000 1.046 95 V CA -0.336 62.025 62.300 0.102 0.000 0.946 95 V CB 1.875 33.824 31.823 0.209 0.000 1.003 95 V HN 1.037 nan 8.190 nan 0.000 0.459 96 E N 2.435 122.653 120.200 0.031 0.000 2.407 96 E HA 0.797 5.147 4.350 -0.000 0.000 0.279 96 E C -1.405 175.197 176.600 0.003 0.000 1.012 96 E CA -1.233 55.173 56.400 0.010 0.000 0.800 96 E CB 2.570 32.280 29.700 0.018 0.000 1.276 96 E HN 0.417 nan 8.360 nan 0.000 0.452 97 K N 0.621 121.015 120.400 -0.011 0.000 2.508 97 K HA 0.495 4.815 4.320 -0.000 0.000 0.260 97 K C -1.997 174.569 176.600 -0.056 0.000 0.949 97 K CA -0.852 55.417 56.287 -0.029 0.000 0.834 97 K CB 2.561 35.046 32.500 -0.025 0.000 1.365 97 K HN 0.410 nan 8.250 nan 0.000 0.437 98 V N 3.860 123.706 119.914 -0.115 0.000 2.275 98 V HA 0.398 4.518 4.120 -0.000 0.000 0.272 98 V C -0.451 175.529 176.094 -0.191 0.000 1.028 98 V CA -0.759 61.402 62.300 -0.232 0.000 0.810 98 V CB 0.836 32.390 31.823 -0.448 0.000 1.043 98 V HN 0.545 nan 8.190 nan 0.000 0.453 99 V N 4.775 124.662 119.914 -0.044 0.000 3.096 99 V HA 0.528 4.648 4.120 -0.000 0.000 0.319 99 V C -0.060 176.229 176.094 0.324 0.000 1.082 99 V CA -0.960 61.391 62.300 0.085 0.000 1.022 99 V CB 2.098 33.966 31.823 0.075 0.000 1.103 99 V HN 0.628 nan 8.190 nan 0.000 0.455 100 L N 1.879 123.284 121.223 0.303 0.000 2.334 100 L HA 0.660 5.000 4.340 -0.000 0.000 0.277 100 L C -0.376 176.487 176.870 -0.011 0.000 1.075 100 L CA 0.455 55.383 54.840 0.146 0.000 0.804 100 L CB 1.396 43.518 42.059 0.105 0.000 1.174 100 L HN 0.443 nan 8.230 nan 0.000 0.438 101 V N 3.350 123.186 119.914 -0.130 0.000 2.864 101 V HA 0.675 4.795 4.120 -0.000 0.000 0.314 101 V C -0.388 175.638 176.094 -0.113 0.000 1.073 101 V CA -0.584 61.668 62.300 -0.081 0.000 0.956 101 V CB 2.061 33.860 31.823 -0.039 0.000 1.023 101 V HN 0.870 nan 8.190 nan 0.000 0.435 102 S N 1.769 117.424 115.700 -0.074 0.000 2.536 102 S HA 0.572 5.042 4.470 -0.000 0.000 0.298 102 S C 0.520 175.102 174.600 -0.031 0.000 1.083 102 S CA -0.705 57.459 58.200 -0.060 0.000 0.995 102 S CB 1.449 64.620 63.200 -0.049 0.000 1.058 102 S HN 0.598 nan 8.310 nan 0.000 0.488 103 L N 2.505 123.719 121.223 -0.015 0.000 2.395 103 L HA 0.119 4.459 4.340 -0.000 0.000 0.218 103 L C 1.043 177.946 176.870 0.055 0.000 1.130 103 L CA 0.461 55.308 54.840 0.011 0.000 0.826 103 L CB -0.322 41.742 42.059 0.007 0.000 0.941 103 L HN 0.699 nan 8.230 nan 0.000 0.451 104 Q N 0.625 120.471 119.800 0.077 0.000 2.388 104 Q HA -0.070 4.270 4.340 -0.000 0.000 0.302 104 Q C 1.135 177.269 176.000 0.223 0.000 1.149 104 Q CA -0.156 55.749 55.803 0.169 0.000 1.014 104 Q CB 0.657 29.512 28.738 0.194 0.000 1.072 104 Q HN 0.295 nan 8.270 nan 0.000 0.395 105 S N 1.609 117.428 115.700 0.199 0.000 2.335 105 S HA 0.003 4.473 4.470 -0.000 0.000 0.216 105 S C 0.883 175.533 174.600 0.082 0.000 1.032 105 S CA 0.817 59.055 58.200 0.063 0.000 1.000 105 S CB 0.099 63.183 63.200 -0.194 0.000 0.928 105 S HN 0.861 nan 8.310 nan 0.000 0.434 106 G N -0.862 107.930 108.800 -0.013 0.000 2.929 106 G HA2 0.519 4.479 3.960 -0.000 0.000 0.123 106 G HA3 0.519 4.479 3.960 -0.000 0.000 0.123 106 G C -1.740 172.814 174.900 -0.577 0.000 1.212 106 G CA -0.610 44.111 45.100 -0.630 0.000 1.238 106 G HN 0.220 nan 8.290 nan 0.000 0.617 107 Y N -0.571 119.669 120.300 -0.101 0.000 2.630 107 Y HA 0.860 5.410 4.550 -0.000 0.000 0.337 107 Y C 0.016 175.390 175.900 -0.876 0.000 1.051 107 Y CA -1.125 56.717 58.100 -0.429 0.000 1.121 107 Y CB 2.020 40.295 38.460 -0.308 0.000 1.299 107 Y HN 0.319 nan 8.280 nan 0.000 0.498 108 L N 1.936 122.236 121.223 -1.538 0.000 2.464 108 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 108 L C -1.725 174.537 176.870 -1.014 0.000 0.965 108 L CA -0.506 53.617 54.840 -1.195 0.000 0.833 108 L CB 1.964 43.166 42.059 -1.428 0.000 1.296 108 L HN 0.479 nan 8.230 nan 0.000 0.405 109 F N 2.979 122.881 119.950 -0.080 0.000 2.551 109 F HA 0.677 5.204 4.527 0.000 0.000 0.316 109 F C -0.091 175.809 175.800 0.165 0.000 1.089 109 F CA -0.720 57.328 58.000 0.081 0.000 0.915 109 F CB 1.939 40.996 39.000 0.095 0.000 1.186 109 F HN 0.115 nan 8.300 nan 0.000 0.456 110 I N 1.650 122.416 120.570 0.327 0.000 2.569 110 I HA 0.472 4.642 4.170 -0.000 0.000 0.296 110 I C -0.869 175.420 176.117 0.287 0.000 1.028 110 I CA -0.754 60.696 61.300 0.251 0.000 1.082 110 I CB 2.096 40.207 38.000 0.186 0.000 1.264 110 I HN 0.559 nan 8.210 nan 0.000 0.429 111 Q N 3.908 123.862 119.800 0.257 0.000 2.323 111 Q HA 0.578 4.918 4.340 -0.000 0.000 0.271 111 Q C -1.395 174.731 176.000 0.211 0.000 1.048 111 Q CA -0.636 55.322 55.803 0.258 0.000 0.792 111 Q CB 2.435 31.382 28.738 0.347 0.000 1.280 111 Q HN 0.834 nan 8.270 nan 0.000 0.441 112 T N -0.340 114.335 114.554 0.201 0.000 2.885 112 T HA 0.249 4.598 4.350 -0.000 0.000 0.285 112 T C 0.746 175.568 174.700 0.205 0.000 1.019 112 T CA -0.558 61.658 62.100 0.194 0.000 1.010 112 T CB 1.233 70.211 68.868 0.183 0.000 1.022 112 T HN 0.667 nan 8.240 nan 0.000 0.466 113 D N 1.989 122.523 120.400 0.223 0.000 2.097 113 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 113 D C 0.474 176.812 176.300 0.063 0.000 0.989 113 D CA 1.209 55.301 54.000 0.153 0.000 0.827 113 D CB 0.041 40.929 40.800 0.146 0.000 0.966 113 D HN 0.631 nan 8.370 nan 0.000 0.456 114 K N -0.678 119.701 120.400 -0.035 0.000 2.280 114 K HA 0.405 4.725 4.320 -0.000 0.000 0.234 114 K C 0.895 177.336 176.600 -0.265 0.000 1.028 114 K CA -0.312 55.756 56.287 -0.366 0.000 0.882 114 K CB 1.311 33.361 32.500 -0.750 0.000 1.194 114 K HN -0.018 nan 8.250 nan 0.000 0.458 115 T N -1.971 112.410 114.554 -0.288 0.000 3.060 115 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 115 T C 0.611 175.284 174.700 -0.045 0.000 1.079 115 T CA -0.071 61.995 62.100 -0.056 0.000 1.013 115 T CB -0.219 68.628 68.868 -0.035 0.000 0.975 115 T HN 0.537 nan 8.240 nan 0.000 0.518 116 I N -0.011 120.366 120.570 -0.322 0.000 2.731 116 I HA 0.500 4.669 4.170 -0.000 0.000 0.289 116 I C -2.135 173.769 176.117 -0.355 0.000 1.399 116 I CA -1.228 59.974 61.300 -0.163 0.000 1.048 116 I CB 1.648 39.507 38.000 -0.235 0.000 1.345 116 I HN 0.024 nan 8.210 nan 0.000 0.425 117 Y N 3.530 123.972 120.300 0.237 0.000 2.602 117 Y HA 0.662 5.212 4.550 -0.000 0.000 0.342 117 Y C 0.282 176.305 175.900 0.205 0.000 1.029 117 Y CA -0.716 57.512 58.100 0.214 0.000 1.080 117 Y CB 2.228 40.733 38.460 0.074 0.000 1.284 117 Y HN 0.544 nan 8.280 nan 0.000 0.485 118 T N -0.507 114.124 114.554 0.128 0.000 2.929 118 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 118 T C -2.940 171.719 174.700 -0.068 0.000 1.014 118 T CA -2.705 59.320 62.100 -0.126 0.000 1.051 118 T CB 1.494 70.108 68.868 -0.424 0.000 1.028 118 T HN 0.253 nan 8.240 nan 0.000 0.485 119 P HA 0.162 nan 4.420 nan 0.000 0.258 119 P C 1.019 178.248 177.300 -0.119 0.000 1.172 119 P CA 1.054 64.095 63.100 -0.098 0.000 0.762 119 P CB -0.007 31.651 31.700 -0.070 0.000 0.764 120 G N 2.356 111.063 108.800 -0.155 0.000 2.176 120 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.232 120 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.232 120 G C 0.083 174.902 174.900 -0.135 0.000 0.986 120 G CA 0.153 45.161 45.100 -0.153 0.000 0.643 120 G HN 0.825 nan 8.290 nan 0.000 0.522 121 S N 0.490 116.125 115.700 -0.109 0.000 2.429 121 S HA 0.685 5.155 4.470 -0.000 0.000 0.302 121 S C 0.124 174.666 174.600 -0.097 0.000 1.115 121 S CA 0.171 58.341 58.200 -0.049 0.000 1.095 121 S CB 2.000 65.231 63.200 0.052 0.000 0.987 121 S HN 0.463 nan 8.310 nan 0.000 0.474 122 T N 3.028 117.513 114.554 -0.114 0.000 2.930 122 T HA 0.288 4.638 4.350 -0.000 0.000 0.306 122 T C -0.046 174.519 174.700 -0.225 0.000 1.045 122 T CA -0.238 61.753 62.100 -0.181 0.000 1.134 122 T CB 0.437 69.233 68.868 -0.120 0.000 0.961 122 T HN 0.600 nan 8.240 nan 0.000 0.545 123 V N 5.262 124.945 119.914 -0.386 0.000 2.347 123 V HA 0.321 4.441 4.120 -0.000 0.000 0.280 123 V C 0.230 176.231 176.094 -0.155 0.000 1.021 123 V CA -0.796 61.105 62.300 -0.664 0.000 0.847 123 V CB 0.944 31.998 31.823 -1.281 0.000 0.990 123 V HN 0.672 nan 8.190 nan 0.000 0.444 124 L N 6.623 127.837 121.223 -0.014 0.000 2.349 124 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 124 L C -0.492 176.488 176.870 0.183 0.000 1.115 124 L CA -0.333 54.557 54.840 0.083 0.000 0.820 124 L CB 0.472 42.563 42.059 0.054 0.000 1.135 124 L HN 0.808 nan 8.230 nan 0.000 0.445 125 Y N 0.777 121.027 120.300 -0.085 0.000 2.513 125 Y HA 0.670 5.220 4.550 -0.001 0.000 0.340 125 Y C -0.953 174.878 175.900 -0.115 0.000 1.055 125 Y CA -1.363 56.688 58.100 -0.081 0.000 1.020 125 Y CB 1.437 39.841 38.460 -0.093 0.000 1.301 125 Y HN 0.422 nan 8.280 nan 0.000 0.453 126 R N 2.976 123.412 120.500 -0.107 0.000 2.589 126 R HA 0.640 4.979 4.340 -0.000 0.000 0.293 126 R C -1.653 174.446 176.300 -0.335 0.000 0.963 126 R CA -1.070 54.811 56.100 -0.365 0.000 0.905 126 R CB 2.499 32.461 30.300 -0.563 0.000 1.144 126 R HN 0.713 nan 8.270 nan 0.000 0.459 127 I N 3.376 123.723 120.570 -0.371 0.000 2.354 127 I HA 0.230 4.400 4.170 -0.000 0.000 0.286 127 I C -0.720 175.225 176.117 -0.287 0.000 1.007 127 I CA -0.210 60.960 61.300 -0.216 0.000 1.167 127 I CB 0.660 38.583 38.000 -0.128 0.000 1.320 127 I HN 0.371 nan 8.210 nan 0.000 0.458 128 F N 4.140 124.121 119.950 0.052 0.000 2.410 128 F HA 0.422 4.948 4.527 -0.001 0.000 0.348 128 F C 0.968 176.814 175.800 0.078 0.000 1.106 128 F CA -0.553 57.491 58.000 0.073 0.000 1.163 128 F CB 1.083 40.144 39.000 0.101 0.000 1.129 128 F HN 0.359 nan 8.300 nan 0.000 0.516 129 T N 1.761 116.443 114.554 0.214 0.000 2.786 129 T HA 0.751 5.100 4.350 -0.000 0.000 0.283 129 T C -0.767 174.074 174.700 0.236 0.000 0.992 129 T CA -0.675 61.535 62.100 0.184 0.000 0.954 129 T CB 0.828 69.805 68.868 0.182 0.000 0.934 129 T HN 0.659 nan 8.240 nan 0.000 0.440 130 V N 1.114 121.188 119.914 0.267 0.000 3.147 130 V HA 0.759 4.879 4.120 -0.000 0.000 0.306 130 V C -0.501 175.668 176.094 0.124 0.000 1.209 130 V CA -1.461 60.962 62.300 0.205 0.000 1.023 130 V CB 1.740 33.706 31.823 0.238 0.000 1.059 130 V HN 1.048 nan 8.190 nan 0.000 0.435 131 N N 0.502 119.233 118.700 0.052 0.000 2.322 131 N HA 0.217 4.957 4.740 -0.000 0.000 0.270 131 N C 0.788 176.264 175.510 -0.057 0.000 1.286 131 N CA 0.053 53.088 53.050 -0.024 0.000 0.948 131 N CB -0.361 38.136 38.487 0.018 0.000 1.164 131 N HN 0.820 nan 8.380 nan 0.000 0.551 132 H N -0.998 118.019 119.070 -0.090 0.000 2.561 132 H HA 0.060 4.616 4.556 -0.000 0.000 0.278 132 H C 0.237 175.648 175.328 0.138 0.000 1.014 132 H CA 0.798 56.801 56.048 -0.075 0.000 1.211 132 H CB 0.386 30.090 29.762 -0.096 0.000 1.365 132 H HN 0.543 nan 8.280 nan 0.000 0.594 133 K N 0.635 121.153 120.400 0.197 0.000 2.387 133 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 133 K C 0.595 177.315 176.600 0.201 0.000 1.022 133 K CA -0.092 56.304 56.287 0.181 0.000 1.128 133 K CB 0.835 33.398 32.500 0.106 0.000 0.853 133 K HN 0.083 nan 8.250 nan 0.000 0.523 134 L N 0.656 122.028 121.223 0.247 0.000 4.232 134 L HA -0.251 4.088 4.340 -0.000 0.000 0.415 134 L C -0.427 176.522 176.870 0.131 0.000 1.168 134 L CA 0.313 55.285 54.840 0.221 0.000 0.966 134 L CB -1.628 40.535 42.059 0.174 0.000 2.052 134 L HN 0.265 nan 8.230 nan 0.000 0.887 135 L N 1.566 122.859 121.223 0.116 0.000 2.357 135 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 135 L C -1.598 175.320 176.870 0.081 0.000 1.080 135 L CA -1.744 53.144 54.840 0.080 0.000 0.803 135 L CB 0.873 42.969 42.059 0.062 0.000 1.174 135 L HN -0.206 nan 8.230 nan 0.000 0.443 136 P HA 0.066 nan 4.420 nan 0.000 0.271 136 P C -0.631 176.703 177.300 0.057 0.000 1.233 136 P CA 0.186 63.333 63.100 0.079 0.000 0.764 136 P CB 1.635 33.375 31.700 0.068 0.000 0.825 137 V N 3.493 123.442 119.914 0.058 0.000 3.166 137 V HA 0.832 4.952 4.120 -0.000 0.000 0.317 137 V C 0.191 176.300 176.094 0.025 0.000 1.136 137 V CA -0.714 61.597 62.300 0.020 0.000 1.035 137 V CB 2.245 34.053 31.823 -0.024 0.000 1.110 137 V HN 0.678 nan 8.190 nan 0.000 0.450 138 G N 3.106 111.905 108.800 -0.003 0.000 2.728 138 G HA2 0.662 4.621 3.960 -0.000 0.000 0.296 138 G HA3 0.662 4.621 3.960 -0.000 0.000 0.296 138 G C -0.646 174.244 174.900 -0.016 0.000 1.401 138 G CA -0.551 44.553 45.100 0.007 0.000 1.007 138 G HN 0.565 nan 8.290 nan 0.000 0.527 139 R N 0.943 121.446 120.500 0.004 0.000 3.150 139 R HA 0.664 5.004 4.340 -0.000 0.000 0.236 139 R C -0.683 175.658 176.300 0.069 0.000 1.469 139 R CA -0.727 55.368 56.100 -0.008 0.000 1.045 139 R CB 0.670 30.886 30.300 -0.140 0.000 1.481 139 R HN 0.379 nan 8.270 nan 0.000 0.506 140 T N 1.176 115.786 114.554 0.094 0.000 2.824 140 T HA 0.488 4.838 4.350 -0.000 0.000 0.280 140 T C -0.490 174.300 174.700 0.150 0.000 0.995 140 T CA -0.496 61.661 62.100 0.095 0.000 1.009 140 T CB 1.600 70.508 68.868 0.067 0.000 0.955 140 T HN 0.134 nan 8.240 nan 0.000 0.452 141 V N 4.591 124.547 119.914 0.070 0.000 2.735 141 V HA 0.565 4.685 4.120 -0.000 0.000 0.310 141 V C -0.372 175.657 176.094 -0.109 0.000 1.061 141 V CA -1.002 61.294 62.300 -0.007 0.000 0.913 141 V CB 2.040 33.822 31.823 -0.068 0.000 1.005 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 3.822 123.251 119.600 -0.285 0.000 2.404 142 M HA 0.691 5.171 4.480 -0.000 0.000 0.338 142 M C -1.046 175.007 176.300 -0.411 0.000 1.150 142 M CA -0.753 54.320 55.300 -0.378 0.000 1.016 142 M CB 1.714 33.959 32.600 -0.592 0.000 1.672 142 M HN 0.322 nan 8.290 nan 0.000 0.448 143 V N 3.060 122.836 119.914 -0.230 0.000 2.524 143 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 143 V C -0.334 175.696 176.094 -0.106 0.000 1.035 143 V CA -0.873 61.340 62.300 -0.145 0.000 0.867 143 V CB 1.937 33.752 31.823 -0.014 0.000 1.004 143 V HN 0.841 nan 8.190 nan 0.000 0.426 144 N N 4.183 122.814 118.700 -0.116 0.000 2.466 144 N HA 0.644 5.384 4.740 -0.000 0.000 0.294 144 N C -1.034 174.387 175.510 -0.149 0.000 1.129 144 N CA -0.596 52.392 53.050 -0.104 0.000 0.931 144 N CB 2.668 41.113 38.487 -0.070 0.000 1.193 144 N HN 0.518 nan 8.380 nan 0.000 0.500 145 I N 1.592 122.037 120.570 -0.209 0.000 2.502 145 I HA 0.196 4.366 4.170 -0.000 0.000 0.276 145 I C -0.142 175.837 176.117 -0.230 0.000 1.057 145 I CA -0.390 60.735 61.300 -0.291 0.000 1.163 145 I CB 0.907 38.521 38.000 -0.644 0.000 1.288 145 I HN 0.273 nan 8.210 nan 0.000 0.479 146 E N 4.911 124.992 120.200 -0.200 0.000 2.338 146 E HA 0.104 4.453 4.350 -0.000 0.000 0.272 146 E C -0.126 176.154 176.600 -0.534 0.000 1.029 146 E CA -0.472 55.761 56.400 -0.278 0.000 0.872 146 E CB 1.035 30.597 29.700 -0.230 0.000 1.015 146 E HN 0.525 nan 8.360 nan 0.000 0.417 147 N N 3.083 121.296 118.700 -0.813 0.000 2.364 147 N HA 0.113 4.853 4.740 -0.000 0.000 0.264 147 N C -2.250 172.614 175.510 -1.078 0.000 1.263 147 N CA -1.769 50.270 53.050 -1.685 0.000 0.959 147 N CB -0.021 37.661 38.487 -1.341 0.000 1.204 147 N HN 0.036 nan 8.380 nan 0.000 0.550 148 P HA 0.036 nan 4.420 nan 0.000 0.242 148 P C -0.180 176.921 177.300 -0.332 0.000 1.197 148 P CA 0.928 63.693 63.100 -0.559 0.000 0.765 148 P CB -0.084 31.393 31.700 -0.372 0.000 0.936 149 E N -1.342 118.663 120.200 -0.325 0.000 2.499 149 E HA 0.347 4.696 4.350 -0.000 0.000 0.199 149 E C 0.962 177.446 176.600 -0.194 0.000 1.016 149 E CA 0.159 56.436 56.400 -0.204 0.000 0.933 149 E CB -0.409 29.198 29.700 -0.156 0.000 1.050 149 E HN 0.070 nan 8.360 nan 0.000 0.462 150 G N 1.813 110.466 108.800 -0.246 0.000 2.179 150 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 150 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 150 G C 0.184 174.978 174.900 -0.177 0.000 0.977 150 G CA -0.023 44.960 45.100 -0.194 0.000 0.641 150 G HN 0.304 nan 8.290 nan 0.000 0.533 151 I N 1.639 122.088 120.570 -0.203 0.000 2.297 151 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 151 I C -2.070 173.959 176.117 -0.147 0.000 1.033 151 I CA -2.949 58.265 61.300 -0.145 0.000 1.253 151 I CB 0.487 38.418 38.000 -0.114 0.000 1.396 151 I HN -0.179 nan 8.210 nan 0.000 0.476 152 P HA -0.091 nan 4.420 nan 0.000 0.255 152 P C 1.076 178.343 177.300 -0.056 0.000 1.161 152 P CA 0.466 63.513 63.100 -0.089 0.000 0.768 152 P CB 0.344 32.016 31.700 -0.048 0.000 0.746 153 V N 1.150 121.032 119.914 -0.053 0.000 3.621 153 V HA 0.330 4.450 4.120 -0.000 0.000 0.285 153 V C 0.453 176.597 176.094 0.085 0.000 1.346 153 V CA 0.570 62.906 62.300 0.060 0.000 1.104 153 V CB -0.533 31.415 31.823 0.209 0.000 0.913 153 V HN 0.444 nan 8.190 nan 0.000 0.432 154 K N 1.405 121.792 120.400 -0.021 0.000 2.622 154 K HA 0.345 4.665 4.320 -0.000 0.000 0.263 154 K C -2.001 174.572 176.600 -0.046 0.000 0.947 154 K CA -0.350 55.940 56.287 0.005 0.000 0.885 154 K CB 1.828 34.363 32.500 0.058 0.000 1.362 154 K HN 0.477 nan 8.250 nan 0.000 0.413 155 Q N 2.698 122.497 119.800 -0.001 0.000 2.389 155 Q HA 0.534 4.874 4.340 -0.000 0.000 0.277 155 Q C -1.393 174.613 176.000 0.010 0.000 1.082 155 Q CA -0.896 54.899 55.803 -0.014 0.000 0.810 155 Q CB 2.786 31.513 28.738 -0.019 0.000 1.374 155 Q HN 0.519 nan 8.270 nan 0.000 0.422 156 D N 0.536 120.936 120.400 -0.001 0.000 2.531 156 D HA 0.499 5.138 4.640 -0.000 0.000 0.244 156 D C -1.067 175.218 176.300 -0.025 0.000 1.090 156 D CA -0.594 53.407 54.000 0.002 0.000 0.989 156 D CB 2.053 42.862 40.800 0.014 0.000 1.433 156 D HN 0.406 nan 8.370 nan 0.000 0.492 157 S N 0.339 116.029 115.700 -0.016 0.000 2.659 157 S HA 0.597 5.067 4.470 -0.000 0.000 0.312 157 S C -1.465 173.125 174.600 -0.016 0.000 1.114 157 S CA -0.545 57.642 58.200 -0.022 0.000 1.063 157 S CB 0.403 63.602 63.200 -0.002 0.000 0.996 157 S HN 0.276 nan 8.310 nan 0.000 0.478 158 L N 3.248 124.456 121.223 -0.024 0.000 2.370 158 L HA 0.704 5.043 4.340 -0.000 0.000 0.266 158 L C -0.147 176.719 176.870 -0.007 0.000 1.002 158 L CA -0.156 54.670 54.840 -0.023 0.000 0.818 158 L CB 2.147 44.179 42.059 -0.046 0.000 1.325 158 L HN 0.601 nan 8.230 nan 0.000 0.418 159 S N -0.065 115.633 115.700 -0.004 0.000 2.549 159 S HA 0.491 4.960 4.470 -0.000 0.000 0.297 159 S C 0.512 175.114 174.600 0.003 0.000 1.115 159 S CA 0.012 58.218 58.200 0.010 0.000 1.059 159 S CB 1.100 64.305 63.200 0.009 0.000 1.046 159 S HN 0.711 nan 8.310 nan 0.000 0.506 160 S N 2.889 118.600 115.700 0.018 0.000 2.582 160 S HA 0.212 4.681 4.470 -0.000 0.000 0.234 160 S C 0.177 174.783 174.600 0.011 0.000 0.961 160 S CA -0.365 57.843 58.200 0.014 0.000 0.953 160 S CB -0.057 63.168 63.200 0.041 0.000 0.800 160 S HN 0.658 nan 8.310 nan 0.000 0.471 161 Q N 2.643 122.447 119.800 0.006 0.000 2.297 161 Q HA 0.279 4.619 4.340 -0.000 0.000 0.267 161 Q C -0.073 175.927 176.000 -0.000 0.000 1.006 161 Q CA 0.582 56.387 55.803 0.003 0.000 0.896 161 Q CB -0.081 28.658 28.738 0.001 0.000 1.186 161 Q HN 0.426 nan 8.270 nan 0.000 0.392 162 N N 2.906 121.607 118.700 0.001 0.000 2.714 162 N HA -0.222 4.517 4.740 -0.000 0.000 0.250 162 N C -0.580 174.928 175.510 -0.003 0.000 1.117 162 N CA 1.051 54.101 53.050 -0.000 0.000 0.719 162 N CB -1.099 37.386 38.487 -0.002 0.000 1.081 162 N HN 0.636 nan 8.380 nan 0.000 0.557 163 Q N -0.138 119.661 119.800 -0.002 0.000 2.159 163 Q HA 0.410 4.750 4.340 -0.000 0.000 0.217 163 Q C 0.316 176.318 176.000 0.003 0.000 0.818 163 Q CA -0.473 55.326 55.803 -0.008 0.000 1.008 163 Q CB 0.338 29.064 28.738 -0.020 0.000 1.148 163 Q HN 0.334 nan 8.270 nan 0.000 0.491 164 L N -0.275 120.956 121.223 0.014 0.000 4.001 164 L HA -0.267 4.072 4.340 -0.000 0.000 0.413 164 L C 0.680 177.580 176.870 0.050 0.000 1.185 164 L CA 1.520 56.376 54.840 0.027 0.000 0.963 164 L CB -1.378 40.694 42.059 0.020 0.000 1.976 164 L HN 0.473 nan 8.230 nan 0.000 0.939 165 G N -2.159 106.670 108.800 0.049 0.000 2.136 165 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.242 165 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.242 165 G C 0.110 175.054 174.900 0.074 0.000 0.989 165 G CA 0.111 45.260 45.100 0.081 0.000 0.682 165 G HN 1.117 nan 8.290 nan 0.000 0.522 166 V N 0.930 120.846 119.914 0.003 0.000 2.409 166 V HA 0.576 4.696 4.120 -0.000 0.000 0.290 166 V C 0.228 176.228 176.094 -0.157 0.000 1.017 166 V CA -0.719 61.517 62.300 -0.106 0.000 0.841 166 V CB 1.696 33.488 31.823 -0.051 0.000 1.003 166 V HN 0.285 nan 8.190 nan 0.000 0.426 167 L N 7.158 128.243 121.223 -0.230 0.000 2.283 167 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 167 L C -2.415 174.282 176.870 -0.288 0.000 1.033 167 L CA -1.525 53.188 54.840 -0.211 0.000 0.848 167 L CB 1.386 43.339 42.059 -0.177 0.000 1.226 167 L HN 0.381 nan 8.230 nan 0.000 0.429 168 P HA 0.379 nan 4.420 nan 0.000 0.270 168 P C -0.683 176.409 177.300 -0.347 0.000 1.223 168 P CA -0.064 62.875 63.100 -0.269 0.000 0.785 168 P CB 0.956 32.551 31.700 -0.175 0.000 0.923 169 L N 0.181 121.126 121.223 -0.464 0.000 2.869 169 L HA 0.492 4.831 4.340 -0.000 0.000 0.265 169 L C -0.722 175.844 176.870 -0.505 0.000 1.011 169 L CA -0.301 54.160 54.840 -0.632 0.000 0.913 169 L CB 2.028 43.343 42.059 -1.239 0.000 1.490 169 L HN 0.515 nan 8.230 nan 0.000 0.410 170 S N -0.624 114.965 115.700 -0.185 0.000 2.671 170 S HA 0.827 5.297 4.470 -0.000 0.000 0.277 170 S C -2.155 172.687 174.600 0.403 0.000 1.165 170 S CA -0.707 57.574 58.200 0.135 0.000 0.822 170 S CB 2.381 65.596 63.200 0.025 0.000 1.150 170 S HN 0.677 nan 8.310 nan 0.000 0.479 171 W N 1.306 122.643 121.300 0.062 0.000 3.544 171 W HA 0.445 5.104 4.660 -0.001 0.000 0.326 171 W C -2.238 174.219 176.519 -0.103 0.000 1.137 171 W CA -0.442 56.898 57.345 -0.008 0.000 1.252 171 W CB 1.288 30.725 29.460 -0.039 0.000 1.302 171 W HN 0.698 nan 8.180 nan 0.000 0.467 172 D N 6.523 126.548 120.400 -0.624 0.000 2.365 172 D HA 0.227 4.867 4.640 -0.000 0.000 0.237 172 D C 0.531 176.160 176.300 -1.118 0.000 1.190 172 D CA 0.167 53.778 54.000 -0.649 0.000 0.867 172 D CB 1.029 41.587 40.800 -0.403 0.000 1.050 172 D HN 0.342 nan 8.370 nan 0.000 0.491 173 I N 4.114 124.108 120.570 -0.961 0.000 2.662 173 I HA -0.011 4.158 4.170 -0.000 0.000 0.285 173 I C -1.816 173.961 176.117 -0.566 0.000 1.161 173 I CA -1.264 59.462 61.300 -0.957 0.000 1.415 173 I CB 0.119 37.816 38.000 -0.505 0.000 1.385 173 I HN 0.000 nan 8.210 nan 0.000 0.552 174 P HA -0.002 nan 4.420 nan 0.000 0.270 174 P C 0.547 177.756 177.300 -0.152 0.000 1.227 174 P CA -0.203 62.757 63.100 -0.232 0.000 0.788 174 P CB 0.668 32.307 31.700 -0.101 0.000 0.926 175 E N 0.230 120.369 120.200 -0.101 0.000 2.047 175 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 175 E C 0.714 177.290 176.600 -0.040 0.000 0.987 175 E CA 1.229 57.584 56.400 -0.075 0.000 0.799 175 E CB -0.423 29.241 29.700 -0.061 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.449 176 L N -1.076 120.140 121.223 -0.013 0.000 2.295 176 L HA 0.673 5.013 4.340 -0.000 0.000 0.285 176 L C -0.211 176.693 176.870 0.056 0.000 1.035 176 L CA -0.669 54.182 54.840 0.018 0.000 0.806 176 L CB 1.885 43.957 42.059 0.021 0.000 1.214 176 L HN -0.250 nan 8.230 nan 0.000 0.426 177 V N 1.866 121.835 119.914 0.092 0.000 3.234 177 V HA 0.361 4.481 4.120 -0.000 0.000 0.280 177 V C -1.422 174.806 176.094 0.224 0.000 1.580 177 V CA -0.747 61.667 62.300 0.191 0.000 1.032 177 V CB 2.553 34.525 31.823 0.248 0.000 1.203 177 V HN 0.968 nan 8.190 nan 0.000 0.459 178 N N 3.720 122.598 118.700 0.296 0.000 2.447 178 N HA 0.232 4.971 4.740 -0.000 0.000 0.263 178 N C -0.152 175.568 175.510 0.351 0.000 1.226 178 N CA 0.098 53.297 53.050 0.249 0.000 0.906 178 N CB 0.472 39.058 38.487 0.165 0.000 1.060 178 N HN 0.638 nan 8.380 nan 0.000 0.468 179 M N 1.219 120.952 119.600 0.222 0.000 2.167 179 M HA 0.358 4.838 4.480 -0.000 0.000 0.300 179 M C 1.191 177.633 176.300 0.237 0.000 1.171 179 M CA 0.845 56.276 55.300 0.218 0.000 1.171 179 M CB 0.369 33.048 32.600 0.132 0.000 1.396 179 M HN 0.853 nan 8.290 nan 0.000 0.466 180 G N 0.136 109.073 108.800 0.228 0.000 2.343 180 G HA2 0.027 3.986 3.960 -0.000 0.000 0.465 180 G HA3 0.027 3.986 3.960 -0.000 0.000 0.465 180 G C -1.782 173.250 174.900 0.219 0.000 1.282 180 G CA -1.026 44.172 45.100 0.165 0.000 0.996 180 G HN 0.509 nan 8.290 nan 0.000 0.521 181 Q N 0.046 119.896 119.800 0.083 0.000 2.406 181 Q HA 0.363 4.703 4.340 -0.000 0.000 0.242 181 Q C -0.528 175.447 176.000 -0.041 0.000 1.036 181 Q CA -0.105 55.725 55.803 0.046 0.000 0.904 181 Q CB 0.689 29.422 28.738 -0.007 0.000 1.244 181 Q HN 0.437 nan 8.270 nan 0.000 0.478 182 W N 2.076 123.118 121.300 -0.431 0.000 2.086 182 W HA 0.358 5.018 4.660 0.000 0.000 0.355 182 W C 0.756 176.895 176.519 -0.634 0.000 1.313 182 W CA -0.217 56.747 57.345 -0.634 0.000 1.358 182 W CB 0.607 29.440 29.460 -1.045 0.000 1.166 182 W HN 0.276 nan 8.180 nan 0.000 0.630 183 K N 1.337 121.587 120.400 -0.251 0.000 2.464 183 K HA 0.583 4.903 4.320 -0.000 0.000 0.253 183 K C -1.624 174.956 176.600 -0.033 0.000 0.933 183 K CA -0.616 55.599 56.287 -0.120 0.000 0.801 183 K CB 1.403 33.835 32.500 -0.113 0.000 1.271 183 K HN 0.505 nan 8.250 nan 0.000 0.430 184 I N 4.367 124.965 120.570 0.047 0.000 2.382 184 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 184 I C -0.437 175.681 176.117 0.001 0.000 1.002 184 I CA -0.823 60.473 61.300 -0.006 0.000 1.135 184 I CB 1.658 39.636 38.000 -0.037 0.000 1.288 184 I HN 0.470 nan 8.210 nan 0.000 0.448 185 R N 5.208 125.693 120.500 -0.025 0.000 2.562 185 R HA 0.894 5.234 4.340 -0.000 0.000 0.298 185 R C -1.000 175.284 176.300 -0.025 0.000 0.961 185 R CA -0.840 55.265 56.100 0.009 0.000 0.881 185 R CB 2.416 32.727 30.300 0.019 0.000 1.159 185 R HN 0.660 nan 8.270 nan 0.000 0.450 186 A N 2.333 125.160 122.820 0.012 0.000 2.520 186 A HA 0.645 4.965 4.320 -0.000 0.000 0.298 186 A C -1.686 175.911 177.584 0.022 0.000 1.051 186 A CA -0.800 51.170 52.037 -0.111 0.000 0.690 186 A CB 1.139 20.065 19.000 -0.123 0.000 1.281 186 A HN 0.730 nan 8.150 nan 0.000 0.402 187 Y N -1.077 119.228 120.300 0.008 0.000 2.581 187 Y HA 0.753 5.303 4.550 -0.000 0.000 0.345 187 Y C -0.945 174.934 175.900 -0.035 0.000 1.036 187 Y CA -1.982 56.135 58.100 0.029 0.000 1.042 187 Y CB 0.628 39.136 38.460 0.079 0.000 1.289 187 Y HN 0.579 nan 8.280 nan 0.000 0.471 188 Y N 1.497 121.983 120.300 0.310 0.000 2.359 188 Y HA 0.070 4.619 4.550 -0.001 0.000 0.330 188 Y C 1.740 177.803 175.900 0.272 0.000 1.143 188 Y CA -0.002 58.209 58.100 0.186 0.000 1.318 188 Y CB 1.211 39.737 38.460 0.110 0.000 1.234 188 Y HN 0.892 nan 8.280 nan 0.000 0.522 189 E N 2.046 122.471 120.200 0.375 0.000 2.331 189 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 189 E C 1.013 177.736 176.600 0.205 0.000 1.008 189 E CA 1.072 57.648 56.400 0.294 0.000 0.843 189 E CB 0.170 29.979 29.700 0.182 0.000 0.761 189 E HN 0.725 nan 8.360 nan 0.000 0.507 190 N N 0.109 118.921 118.700 0.186 0.000 2.216 190 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 190 N C -0.185 175.381 175.510 0.094 0.000 1.017 190 N CA 1.152 54.265 53.050 0.106 0.000 0.861 190 N CB 0.362 38.884 38.487 0.059 0.000 0.986 190 N HN 0.011 nan 8.380 nan 0.000 0.428 191 S N -0.590 115.197 115.700 0.145 0.000 2.524 191 S HA 0.415 4.885 4.470 -0.000 0.000 0.227 191 S C -2.408 172.201 174.600 0.016 0.000 1.304 191 S CA -1.219 57.029 58.200 0.081 0.000 1.185 191 S CB 2.398 65.671 63.200 0.122 0.000 1.104 191 S HN -0.082 nan 8.310 nan 0.000 0.475 192 P HA -0.199 nan 4.420 nan 0.000 0.217 192 P C 2.034 179.115 177.300 -0.364 0.000 1.150 192 P CA 1.049 63.785 63.100 -0.607 0.000 0.832 192 P CB 0.113 31.474 31.700 -0.564 0.000 0.787 193 Q N 0.284 119.978 119.800 -0.177 0.000 2.084 193 Q HA -0.190 4.149 4.340 -0.000 0.000 0.202 193 Q C 1.073 177.023 176.000 -0.084 0.000 0.978 193 Q CA 1.391 57.124 55.803 -0.116 0.000 0.844 193 Q CB -1.232 27.460 28.738 -0.077 0.000 0.898 193 Q HN 0.327 nan 8.270 nan 0.000 0.426 194 Q N 1.520 121.300 119.800 -0.033 0.000 2.452 194 Q HA 0.338 4.678 4.340 -0.000 0.000 0.230 194 Q C -1.260 174.724 176.000 -0.027 0.000 1.180 194 Q CA -0.272 55.496 55.803 -0.058 0.000 0.914 194 Q CB 0.711 29.481 28.738 0.053 0.000 1.408 194 Q HN 0.114 nan 8.270 nan 0.000 0.520 195 V N 4.178 124.011 119.914 -0.134 0.000 2.716 195 V HA 0.475 4.594 4.120 -0.000 0.000 0.304 195 V C -0.475 175.453 176.094 -0.275 0.000 1.053 195 V CA -0.295 62.010 62.300 0.008 0.000 0.984 195 V CB 1.199 33.046 31.823 0.039 0.000 1.021 195 V HN 0.523 nan 8.190 nan 0.000 0.467 196 F N 0.947 120.892 119.950 -0.008 0.000 2.551 196 F HA 0.685 5.212 4.527 -0.000 0.000 0.316 196 F C 0.273 176.055 175.800 -0.030 0.000 1.089 196 F CA -0.393 57.577 58.000 -0.051 0.000 0.915 196 F CB 2.331 41.257 39.000 -0.123 0.000 1.186 196 F HN 0.319 nan 8.300 nan 0.000 0.456 197 S N 0.678 116.457 115.700 0.132 0.000 2.548 197 S HA 0.764 5.234 4.470 -0.000 0.000 0.276 197 S C -0.877 173.786 174.600 0.105 0.000 1.129 197 S CA -0.678 57.573 58.200 0.085 0.000 0.931 197 S CB 2.250 65.468 63.200 0.030 0.000 1.068 197 S HN 0.559 nan 8.310 nan 0.000 0.480 198 T N 2.293 116.916 114.554 0.115 0.000 2.906 198 T HA 0.469 4.819 4.350 -0.000 0.000 0.295 198 T C -0.876 173.920 174.700 0.159 0.000 1.061 198 T CA -0.725 61.462 62.100 0.144 0.000 1.000 198 T CB 1.592 70.568 68.868 0.180 0.000 1.103 198 T HN 0.556 nan 8.240 nan 0.000 0.486 199 E N 1.025 121.324 120.200 0.164 0.000 2.239 199 E HA 0.741 5.091 4.350 -0.000 0.000 0.261 199 E C -1.198 175.603 176.600 0.336 0.000 1.016 199 E CA -0.831 55.656 56.400 0.146 0.000 0.882 199 E CB 1.592 31.332 29.700 0.067 0.000 1.190 199 E HN 0.571 nan 8.360 nan 0.000 0.415 200 F N -1.666 118.381 119.950 0.161 0.000 2.635 200 F HA 0.368 4.895 4.527 0.000 0.000 0.314 200 F C -0.772 175.161 175.800 0.222 0.000 1.119 200 F CA -1.130 56.991 58.000 0.202 0.000 1.000 200 F CB 0.941 40.117 39.000 0.293 0.000 1.278 200 F HN 0.263 nan 8.300 nan 0.000 0.446 201 E N 2.297 122.660 120.200 0.272 0.000 2.331 201 E HA 0.579 4.929 4.350 -0.000 0.000 0.272 201 E C -1.524 175.235 176.600 0.265 0.000 1.036 201 E CA -0.732 55.784 56.400 0.193 0.000 0.864 201 E CB 1.692 31.468 29.700 0.127 0.000 1.035 201 E HN 0.648 nan 8.360 nan 0.000 0.408 202 V N 5.359 125.393 119.914 0.199 0.000 2.409 202 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 202 V C -0.089 176.110 176.094 0.176 0.000 1.020 202 V CA -0.469 61.932 62.300 0.169 0.000 0.848 202 V CB 1.395 33.193 31.823 -0.043 0.000 0.990 202 V HN 0.677 nan 8.190 nan 0.000 0.430 203 K N 3.048 123.572 120.400 0.206 0.000 2.499 203 K HA 0.597 4.917 4.320 -0.000 0.000 0.277 203 K C -1.215 175.454 176.600 0.114 0.000 1.025 203 K CA -0.817 55.584 56.287 0.191 0.000 0.900 203 K CB 2.632 35.282 32.500 0.250 0.000 1.494 203 K HN 0.663 nan 8.250 nan 0.000 0.442 204 E N 1.451 121.693 120.200 0.069 0.000 2.133 204 E HA 0.303 4.652 4.350 -0.000 0.000 0.274 204 E C -1.663 174.948 176.600 0.018 0.000 0.930 204 E CA -0.645 55.715 56.400 -0.068 0.000 0.770 204 E CB 1.186 30.859 29.700 -0.045 0.000 1.104 204 E HN 0.427 nan 8.360 nan 0.000 0.403 205 Y N -0.783 119.506 120.300 -0.018 0.000 2.592 205 Y HA 0.516 5.066 4.550 -0.001 0.000 0.334 205 Y C -0.994 174.887 175.900 -0.032 0.000 1.136 205 Y CA -1.466 56.616 58.100 -0.029 0.000 1.042 205 Y CB 0.232 38.667 38.460 -0.042 0.000 1.325 205 Y HN 0.176 nan 8.280 nan 0.000 0.457 206 V N 0.623 120.642 119.914 0.174 0.000 2.713 206 V HA 0.629 4.749 4.120 -0.000 0.000 0.307 206 V C -0.225 175.987 176.094 0.198 0.000 1.052 206 V CA -1.051 61.336 62.300 0.145 0.000 0.967 206 V CB 1.433 33.293 31.823 0.062 0.000 1.019 206 V HN 0.759 nan 8.190 nan 0.000 0.459 207 L N 4.447 125.759 121.223 0.149 0.000 2.439 207 L HA 0.482 4.821 4.340 -0.000 0.000 0.269 207 L C -1.811 175.057 176.870 -0.005 0.000 1.179 207 L CA -1.003 53.865 54.840 0.047 0.000 0.828 207 L CB 0.011 42.087 42.059 0.028 0.000 1.106 207 L HN 0.672 nan 8.230 nan 0.000 0.467 208 P HA 0.230 nan 4.420 nan 0.000 0.281 208 P C -0.369 176.868 177.300 -0.105 0.000 1.249 208 P CA -0.499 62.503 63.100 -0.165 0.000 0.810 208 P CB 1.035 32.547 31.700 -0.313 0.000 1.008 209 S N 0.294 115.963 115.700 -0.053 0.000 2.557 209 S HA 0.318 4.788 4.470 -0.000 0.000 0.223 209 S C 0.233 174.932 174.600 0.164 0.000 0.969 209 S CA -0.446 57.848 58.200 0.157 0.000 0.927 209 S CB -1.043 62.377 63.200 0.368 0.000 0.806 209 S HN 0.500 nan 8.310 nan 0.000 0.489 210 F N -0.064 119.771 119.950 -0.190 0.000 2.685 210 F HA 0.791 5.317 4.527 -0.001 0.000 0.315 210 F C -0.946 174.740 175.800 -0.190 0.000 1.126 210 F CA -1.290 56.524 58.000 -0.310 0.000 0.950 210 F CB 0.793 39.378 39.000 -0.692 0.000 1.360 210 F HN 0.112 nan 8.300 nan 0.000 0.469 211 E N 1.006 121.220 120.200 0.024 0.000 2.207 211 E HA 0.723 5.073 4.350 -0.000 0.000 0.270 211 E C -1.841 174.803 176.600 0.074 0.000 0.927 211 E CA -1.043 55.343 56.400 -0.024 0.000 0.799 211 E CB 2.517 32.212 29.700 -0.008 0.000 1.172 211 E HN 0.543 nan 8.360 nan 0.000 0.404 212 V N 3.625 123.551 119.914 0.020 0.000 2.604 212 V HA 0.460 4.580 4.120 -0.000 0.000 0.305 212 V C -0.306 175.794 176.094 0.010 0.000 1.043 212 V CA -0.748 61.582 62.300 0.049 0.000 0.888 212 V CB 1.517 33.380 31.823 0.067 0.000 0.995 212 V HN 0.653 nan 8.190 nan 0.000 0.429 213 I N 4.445 125.019 120.570 0.008 0.000 2.512 213 I HA 0.505 4.675 4.170 -0.000 0.000 0.287 213 I C -0.829 175.282 176.117 -0.010 0.000 1.069 213 I CA -0.788 60.510 61.300 -0.003 0.000 1.056 213 I CB 2.045 40.044 38.000 -0.002 0.000 1.229 213 I HN 0.238 nan 8.210 nan 0.000 0.429 214 V N 4.962 124.865 119.914 -0.019 0.000 2.532 214 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 214 V C -0.319 175.759 176.094 -0.025 0.000 1.041 214 V CA -0.441 61.840 62.300 -0.032 0.000 0.926 214 V CB 1.898 33.685 31.823 -0.060 0.000 0.992 214 V HN 0.750 nan 8.190 nan 0.000 0.457 215 E N 4.070 124.257 120.200 -0.022 0.000 2.313 215 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 215 E C -2.939 173.658 176.600 -0.004 0.000 0.898 215 E CA -1.608 54.786 56.400 -0.010 0.000 0.803 215 E CB 2.951 32.650 29.700 -0.002 0.000 1.286 215 E HN 0.467 nan 8.360 nan 0.000 0.401 216 P HA 0.016 nan 4.420 nan 0.000 0.271 216 P C 0.700 177.993 177.300 -0.012 0.000 1.220 216 P CA -0.165 62.935 63.100 0.001 0.000 0.768 216 P CB 0.832 32.534 31.700 0.003 0.000 0.848 217 T N -0.310 114.233 114.554 -0.018 0.000 2.822 217 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 217 T C 0.585 175.247 174.700 -0.064 0.000 1.064 217 T CA 1.254 63.336 62.100 -0.029 0.000 1.131 217 T CB -0.368 68.483 68.868 -0.029 0.000 0.858 217 T HN 0.389 nan 8.240 nan 0.000 0.483 218 E N 0.536 120.657 120.200 -0.131 0.000 2.244 218 E HA 0.399 4.749 4.350 -0.000 0.000 0.266 218 E C -0.284 176.231 176.600 -0.141 0.000 0.914 218 E CA -0.683 55.563 56.400 -0.255 0.000 0.794 218 E CB 1.880 31.137 29.700 -0.738 0.000 1.210 218 E HN 0.154 nan 8.360 nan 0.000 0.414 219 K N 1.107 121.547 120.400 0.067 0.000 2.589 219 K HA 0.131 4.450 4.320 -0.000 0.000 0.204 219 K C -0.430 176.369 176.600 0.332 0.000 1.029 219 K CA 0.261 56.668 56.287 0.200 0.000 1.177 219 K CB -0.367 32.264 32.500 0.217 0.000 0.902 219 K HN 0.314 nan 8.250 nan 0.000 0.501 220 F N -3.971 116.016 119.950 0.062 0.000 2.900 220 F HA 0.322 4.849 4.527 -0.001 0.000 0.321 220 F C -1.790 174.116 175.800 0.177 0.000 1.160 220 F CA -1.836 56.221 58.000 0.096 0.000 0.890 220 F CB 0.709 39.733 39.000 0.041 0.000 1.334 220 F HN -0.219 nan 8.300 nan 0.000 0.459 221 Y N 1.834 122.217 120.300 0.138 0.000 2.361 221 Y HA 0.569 5.118 4.550 -0.001 0.000 0.337 221 Y C -1.687 174.384 175.900 0.284 0.000 0.965 221 Y CA -1.779 56.353 58.100 0.054 0.000 1.091 221 Y CB 1.280 39.773 38.460 0.055 0.000 1.182 221 Y HN 0.738 nan 8.280 nan 0.000 0.450 222 Y N 7.567 127.516 120.300 -0.585 0.000 2.365 222 Y HA 0.292 4.842 4.550 -0.000 0.000 0.340 222 Y C 0.926 176.398 175.900 -0.713 0.000 1.016 222 Y CA -0.839 57.049 58.100 -0.353 0.000 1.196 222 Y CB 0.666 39.058 38.460 -0.114 0.000 1.167 222 Y HN 0.781 nan 8.280 nan 0.000 0.509 223 I N 5.151 125.339 120.570 -0.637 0.000 2.423 223 I HA -0.341 3.829 4.170 -0.000 0.000 0.254 223 I C 0.525 176.286 176.117 -0.594 0.000 1.151 223 I CA 1.553 62.554 61.300 -0.497 0.000 1.421 223 I CB -0.355 37.426 38.000 -0.365 0.000 1.079 223 I HN 0.693 nan 8.210 nan 0.000 0.431 224 Y N -0.112 119.653 120.300 -0.892 0.000 2.532 224 Y HA 0.182 4.732 4.550 -0.001 0.000 0.283 224 Y C 0.967 176.758 175.900 -0.182 0.000 1.181 224 Y CA -0.523 57.296 58.100 -0.469 0.000 1.256 224 Y CB -0.243 37.953 38.460 -0.441 0.000 1.112 224 Y HN 0.072 nan 8.280 nan 0.000 0.521 225 N N 1.963 120.610 118.700 -0.088 0.000 2.663 225 N HA -0.044 4.696 4.740 -0.000 0.000 0.250 225 N C 1.012 176.588 175.510 0.110 0.000 1.129 225 N CA 0.306 53.395 53.050 0.065 0.000 0.995 225 N CB 0.513 38.968 38.487 -0.052 0.000 1.324 225 N HN 0.254 nan 8.380 nan 0.000 0.512 226 E N 2.575 122.832 120.200 0.095 0.000 2.233 226 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 226 E C 0.929 177.575 176.600 0.075 0.000 1.004 226 E CA 1.577 58.020 56.400 0.073 0.000 0.819 226 E CB 0.233 29.965 29.700 0.054 0.000 0.738 226 E HN 0.498 nan 8.360 nan 0.000 0.478 227 K N -0.955 119.500 120.400 0.091 0.000 2.365 227 K HA 0.114 4.434 4.320 -0.000 0.000 0.199 227 K C 0.872 177.517 176.600 0.074 0.000 1.045 227 K CA 0.475 56.803 56.287 0.069 0.000 0.962 227 K CB 0.030 32.567 32.500 0.061 0.000 0.759 227 K HN 0.286 nan 8.250 nan 0.000 0.469 228 G N 0.857 109.761 108.800 0.173 0.000 2.693 228 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 228 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 228 G C -1.279 173.680 174.900 0.100 0.000 1.354 228 G CA -0.477 44.675 45.100 0.087 0.000 0.873 228 G HN 0.143 nan 8.290 nan 0.000 0.562 229 L N 1.163 122.281 121.223 -0.175 0.000 2.260 229 L HA 0.631 4.970 4.340 -0.000 0.000 0.289 229 L C 0.517 177.408 176.870 0.034 0.000 1.057 229 L CA -0.244 54.578 54.840 -0.030 0.000 0.811 229 L CB 0.584 42.599 42.059 -0.073 0.000 1.184 229 L HN 0.591 nan 8.230 nan 0.000 0.429 230 E N 4.041 124.276 120.200 0.058 0.000 2.216 230 E HA 0.578 4.928 4.350 -0.000 0.000 0.279 230 E C -1.233 175.407 176.600 0.067 0.000 0.997 230 E CA -0.700 55.731 56.400 0.052 0.000 0.817 230 E CB 2.318 32.034 29.700 0.026 0.000 1.096 230 E HN 0.420 nan 8.360 nan 0.000 0.393 231 V N 2.343 122.306 119.914 0.082 0.000 2.808 231 V HA 0.277 4.397 4.120 -0.000 0.000 0.308 231 V C -0.663 175.455 176.094 0.039 0.000 1.099 231 V CA -0.728 61.611 62.300 0.064 0.000 0.920 231 V CB 2.533 34.412 31.823 0.093 0.000 1.014 231 V HN 0.708 nan 8.190 nan 0.000 0.425 232 T N 5.780 120.343 114.554 0.016 0.000 2.770 232 T HA 0.588 4.938 4.350 -0.000 0.000 0.283 232 T C -0.400 174.299 174.700 -0.002 0.000 0.988 232 T CA -0.368 61.736 62.100 0.007 0.000 0.957 232 T CB 0.939 69.809 68.868 0.003 0.000 0.930 232 T HN 0.270 nan 8.240 nan 0.000 0.443 233 I N 3.493 124.060 120.570 -0.005 0.000 2.385 233 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 233 I C 0.454 176.561 176.117 -0.017 0.000 0.988 233 I CA -0.435 60.858 61.300 -0.012 0.000 1.265 233 I CB 1.217 39.209 38.000 -0.013 0.000 1.388 233 I HN 0.621 nan 8.210 nan 0.000 0.480 234 T N 5.026 119.571 114.554 -0.014 0.000 2.928 234 T HA 0.733 5.083 4.350 -0.000 0.000 0.296 234 T C -0.495 174.194 174.700 -0.018 0.000 1.000 234 T CA -0.609 61.480 62.100 -0.019 0.000 0.989 234 T CB 1.992 70.854 68.868 -0.011 0.000 1.005 234 T HN 0.716 nan 8.240 nan 0.000 0.442 235 A N 3.619 126.408 122.820 -0.052 0.000 2.371 235 A HA 0.960 5.280 4.320 -0.000 0.000 0.311 235 A C -0.452 177.056 177.584 -0.127 0.000 1.068 235 A CA -1.114 50.876 52.037 -0.078 0.000 0.744 235 A CB 1.277 20.157 19.000 -0.200 0.000 1.239 235 A HN 0.949 nan 8.150 nan 0.000 0.435 236 R N 1.460 121.897 120.500 -0.104 0.000 2.536 236 R HA 0.563 4.903 4.340 -0.000 0.000 0.269 236 R C -1.603 174.638 176.300 -0.098 0.000 1.113 236 R CA -0.683 55.364 56.100 -0.089 0.000 0.948 236 R CB 0.432 30.729 30.300 -0.006 0.000 1.237 236 R HN 0.377 nan 8.270 nan 0.000 0.441 237 F N 2.115 121.956 119.950 -0.181 0.000 2.640 237 F HA -0.031 4.496 4.527 0.001 0.000 0.329 237 F C 1.952 177.596 175.800 -0.260 0.000 1.224 237 F CA 0.038 57.848 58.000 -0.317 0.000 1.373 237 F CB 0.337 38.729 39.000 -1.013 0.000 1.129 237 F HN 0.420 nan 8.300 nan 0.000 0.610 238 L N 0.176 121.381 121.223 -0.030 0.000 1.988 238 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 238 L C 0.497 177.414 176.870 0.079 0.000 1.071 238 L CA 0.484 55.353 54.840 0.047 0.000 0.744 238 L CB -0.874 41.249 42.059 0.107 0.000 0.893 238 L HN 0.551 nan 8.230 nan 0.000 0.433 239 Y N 1.169 121.565 120.300 0.161 0.000 2.805 239 Y HA 0.287 4.838 4.550 0.002 0.000 0.331 239 Y C 0.897 176.874 175.900 0.128 0.000 1.241 239 Y CA -1.152 57.013 58.100 0.107 0.000 1.546 239 Y CB -0.804 37.694 38.460 0.064 0.000 1.248 239 Y HN 0.016 nan 8.280 nan 0.000 0.559 240 G N 4.653 113.549 108.800 0.160 0.000 2.307 240 G HA2 0.387 4.347 3.960 -0.000 0.000 0.271 240 G HA3 0.387 4.347 3.960 -0.000 0.000 0.271 240 G C -0.386 174.581 174.900 0.111 0.000 1.191 240 G CA -0.460 44.696 45.100 0.093 0.000 1.024 240 G HN 0.526 nan 8.290 nan 0.000 0.441 241 K N 1.598 122.045 120.400 0.078 0.000 2.572 241 K HA 0.236 4.556 4.320 -0.000 0.000 0.263 241 K C -0.281 176.420 176.600 0.169 0.000 0.932 241 K CA -0.763 55.589 56.287 0.108 0.000 0.838 241 K CB 1.839 34.401 32.500 0.103 0.000 1.366 241 K HN 0.512 nan 8.250 nan 0.000 0.425 242 K N 0.992 121.465 120.400 0.123 0.000 2.295 242 K HA 0.341 4.661 4.320 -0.000 0.000 0.270 242 K C -0.127 176.570 176.600 0.162 0.000 1.011 242 K CA -0.508 55.839 56.287 0.100 0.000 0.953 242 K CB 0.897 33.426 32.500 0.048 0.000 0.956 242 K HN 0.167 nan 8.250 nan 0.000 0.477 243 V N 3.305 123.233 119.914 0.022 0.000 2.532 243 V HA 0.152 4.272 4.120 -0.000 0.000 0.295 243 V C -0.097 175.939 176.094 -0.097 0.000 1.041 243 V CA -0.560 61.695 62.300 -0.075 0.000 0.926 243 V CB 1.562 33.036 31.823 -0.582 0.000 0.992 243 V HN 0.694 nan 8.190 nan 0.000 0.457 244 E N 2.642 122.806 120.200 -0.060 0.000 2.195 244 E HA 0.772 5.122 4.350 -0.000 0.000 0.271 244 E C 0.069 176.425 176.600 -0.407 0.000 0.923 244 E CA -0.279 56.070 56.400 -0.086 0.000 0.790 244 E CB 2.427 32.202 29.700 0.126 0.000 1.155 244 E HN 0.928 nan 8.360 nan 0.000 0.402 245 G N 0.801 109.187 108.800 -0.691 0.000 2.315 245 G HA2 0.317 4.277 3.960 -0.000 0.000 0.294 245 G HA3 0.317 4.277 3.960 -0.000 0.000 0.294 245 G C -1.011 173.577 174.900 -0.519 0.000 1.300 245 G CA -0.456 44.016 45.100 -1.046 0.000 0.843 245 G HN 0.482 nan 8.290 nan 0.000 0.527 246 T N -2.256 112.111 114.554 -0.312 0.000 2.912 246 T HA 0.906 5.255 4.350 -0.000 0.000 0.288 246 T C -0.197 174.367 174.700 -0.226 0.000 1.030 246 T CA 0.024 62.000 62.100 -0.207 0.000 1.020 246 T CB 2.005 70.761 68.868 -0.187 0.000 1.056 246 T HN 2.163 nan 8.240 nan 0.000 0.480 247 A N 1.723 124.372 122.820 -0.285 0.000 2.398 247 A HA 0.721 5.040 4.320 -0.000 0.000 0.301 247 A C -1.108 176.317 177.584 -0.265 0.000 1.041 247 A CA -0.975 50.959 52.037 -0.171 0.000 0.711 247 A CB 0.804 19.770 19.000 -0.056 0.000 1.240 247 A HN 0.761 nan 8.150 nan 0.000 0.420 248 F N 2.079 122.038 119.950 0.016 0.000 2.405 248 F HA 0.521 5.047 4.527 -0.001 0.000 0.355 248 F C 0.280 176.094 175.800 0.023 0.000 1.121 248 F CA -0.482 57.531 58.000 0.022 0.000 1.112 248 F CB 1.649 40.662 39.000 0.021 0.000 1.126 248 F HN 0.269 nan 8.300 nan 0.000 0.481 249 V N 5.322 125.340 119.914 0.172 0.000 2.628 249 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 249 V C -0.392 175.814 176.094 0.187 0.000 1.045 249 V CA -0.958 61.422 62.300 0.135 0.000 0.905 249 V CB 2.223 34.125 31.823 0.131 0.000 0.997 249 V HN 0.740 nan 8.190 nan 0.000 0.436 250 I N 2.562 123.210 120.570 0.129 0.000 2.842 250 I HA 0.602 4.771 4.170 -0.000 0.000 0.297 250 I C -1.710 174.448 176.117 0.070 0.000 1.380 250 I CA -0.353 61.071 61.300 0.206 0.000 1.018 250 I CB 2.102 40.165 38.000 0.104 0.000 1.311 250 I HN 0.535 nan 8.210 nan 0.000 0.439 251 F N 3.931 123.759 119.950 -0.203 0.000 2.585 251 F HA 0.943 5.470 4.527 -0.000 0.000 0.350 251 F C 0.818 176.267 175.800 -0.584 0.000 1.074 251 F CA -0.560 57.219 58.000 -0.368 0.000 1.032 251 F CB 2.058 40.895 39.000 -0.272 0.000 1.330 251 F HN 0.540 nan 8.300 nan 0.000 0.495 252 G N -0.017 108.341 108.800 -0.738 0.000 2.559 252 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 252 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 252 G C -2.085 172.663 174.900 -0.253 0.000 1.424 252 G CA -0.828 43.850 45.100 -0.703 0.000 0.786 252 G HN 0.504 nan 8.290 nan 0.000 0.485 253 I N 0.235 120.896 120.570 0.152 0.000 2.474 253 I HA 0.465 4.634 4.170 -0.000 0.000 0.294 253 I C -0.184 176.119 176.117 0.310 0.000 1.005 253 I CA -0.707 60.730 61.300 0.227 0.000 1.113 253 I CB 2.186 40.253 38.000 0.111 0.000 1.289 253 I HN 0.437 nan 8.210 nan 0.000 0.436 254 Q N 4.077 124.019 119.800 0.236 0.000 2.282 254 Q HA 0.316 4.656 4.340 -0.000 0.000 0.260 254 Q C -1.541 174.503 176.000 0.073 0.000 0.964 254 Q CA -0.597 55.271 55.803 0.107 0.000 0.880 254 Q CB 2.041 30.785 28.738 0.011 0.000 1.286 254 Q HN 0.501 nan 8.270 nan 0.000 0.445 255 D N 2.476 122.903 120.400 0.046 0.000 2.469 255 D HA 0.399 5.038 4.640 -0.000 0.000 0.251 255 D C 0.474 176.786 176.300 0.020 0.000 1.173 255 D CA 0.924 54.946 54.000 0.037 0.000 0.882 255 D CB 1.056 41.879 40.800 0.037 0.000 1.129 255 D HN 0.793 nan 8.370 nan 0.000 0.549 256 G N 4.929 113.740 108.800 0.018 0.000 2.846 256 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.317 256 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.317 256 G C 0.610 175.507 174.900 -0.005 0.000 1.210 256 G CA 0.884 45.989 45.100 0.009 0.000 0.972 256 G HN 0.514 nan 8.290 nan 0.000 0.567 257 E N 0.993 121.186 120.200 -0.011 0.000 2.539 257 E HA 0.301 4.651 4.350 -0.000 0.000 0.215 257 E C 1.036 177.616 176.600 -0.033 0.000 0.965 257 E CA 0.517 56.901 56.400 -0.028 0.000 1.019 257 E CB 0.362 30.049 29.700 -0.023 0.000 1.059 257 E HN 0.719 nan 8.360 nan 0.000 0.496 258 Q N 1.659 121.449 119.800 -0.016 0.000 2.288 258 Q HA 0.287 4.627 4.340 -0.000 0.000 0.254 258 Q C -0.553 175.447 176.000 -0.001 0.000 0.932 258 Q CA -0.221 55.578 55.803 -0.006 0.000 0.902 258 Q CB 0.724 29.467 28.738 0.008 0.000 1.203 258 Q HN -0.042 nan 8.270 nan 0.000 0.415 259 R N 4.408 124.911 120.500 0.006 0.000 2.473 259 R HA 0.409 4.748 4.340 -0.000 0.000 0.303 259 R C -1.117 175.251 176.300 0.114 0.000 1.002 259 R CA -0.664 55.457 56.100 0.036 0.000 0.884 259 R CB 1.139 31.394 30.300 -0.074 0.000 1.173 259 R HN 0.609 nan 8.270 nan 0.000 0.464 260 I N 2.025 122.697 120.570 0.170 0.000 2.362 260 I HA 0.210 4.379 4.170 -0.000 0.000 0.289 260 I C 0.653 176.867 176.117 0.163 0.000 0.994 260 I CA -0.419 60.962 61.300 0.136 0.000 1.158 260 I CB 1.336 39.386 38.000 0.082 0.000 1.315 260 I HN 0.433 nan 8.210 nan 0.000 0.451 261 S N 6.646 122.421 115.700 0.126 0.000 2.584 261 S HA 0.569 5.039 4.470 -0.000 0.000 0.273 261 S C -0.177 174.430 174.600 0.012 0.000 1.311 261 S CA -0.513 57.724 58.200 0.062 0.000 1.034 261 S CB 0.502 63.746 63.200 0.074 0.000 0.939 261 S HN 0.442 nan 8.310 nan 0.000 0.513 262 L N 6.597 127.803 121.223 -0.028 0.000 2.314 262 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 262 L C -1.381 175.477 176.870 -0.019 0.000 1.068 262 L CA -1.625 53.196 54.840 -0.030 0.000 0.894 262 L CB 0.958 42.981 42.059 -0.060 0.000 1.275 262 L HN 0.566 nan 8.230 nan 0.000 0.432 263 P HA -0.196 nan 4.420 nan 0.000 0.221 263 P C 0.972 178.270 177.300 -0.003 0.000 1.145 263 P CA 1.237 64.339 63.100 0.003 0.000 0.795 263 P CB 0.527 32.229 31.700 0.003 0.000 0.775 264 E N 0.079 120.266 120.200 -0.021 0.000 2.442 264 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 264 E C 1.733 178.303 176.600 -0.049 0.000 1.030 264 E CA 0.439 56.820 56.400 -0.031 0.000 0.869 264 E CB 0.056 29.731 29.700 -0.041 0.000 0.857 264 E HN 0.278 nan 8.360 nan 0.000 0.505 265 S N 0.195 115.858 115.700 -0.062 0.000 2.607 265 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 265 S C 0.748 175.330 174.600 -0.030 0.000 0.969 265 S CA -0.354 57.775 58.200 -0.118 0.000 0.927 265 S CB -0.121 62.970 63.200 -0.182 0.000 0.772 265 S HN 0.104 nan 8.310 nan 0.000 0.533 266 L N 3.110 124.347 121.223 0.025 0.000 2.559 266 L HA 0.302 4.642 4.340 -0.000 0.000 0.274 266 L C -0.349 176.559 176.870 0.064 0.000 1.205 266 L CA 0.783 55.669 54.840 0.076 0.000 0.907 266 L CB 0.013 42.116 42.059 0.073 0.000 1.153 266 L HN 0.086 nan 8.230 nan 0.000 0.490 267 K N 5.582 126.037 120.400 0.092 0.000 2.464 267 K HA 0.396 4.715 4.320 -0.000 0.000 0.253 267 K C -1.061 175.563 176.600 0.039 0.000 0.933 267 K CA -0.722 55.595 56.287 0.050 0.000 0.801 267 K CB 2.358 34.875 32.500 0.028 0.000 1.271 267 K HN 0.591 nan 8.250 nan 0.000 0.430 268 R N 3.311 123.798 120.500 -0.022 0.000 2.288 268 R HA 0.352 4.692 4.340 -0.000 0.000 0.326 268 R C -0.464 175.743 176.300 -0.155 0.000 0.959 268 R CA -0.531 55.469 56.100 -0.166 0.000 0.834 268 R CB 0.134 30.302 30.300 -0.221 0.000 1.157 268 R HN 0.632 nan 8.270 nan 0.000 0.470 269 I N 1.601 122.073 120.570 -0.164 0.000 2.648 269 I HA 0.678 4.848 4.170 -0.000 0.000 0.304 269 I C -2.704 173.336 176.117 -0.128 0.000 1.009 269 I CA -3.159 58.076 61.300 -0.109 0.000 1.114 269 I CB 1.704 39.667 38.000 -0.060 0.000 1.293 269 I HN 0.408 nan 8.210 nan 0.000 0.449 270 P HA 0.338 nan 4.420 nan 0.000 0.286 270 P C -0.866 176.402 177.300 -0.052 0.000 1.269 270 P CA -0.142 62.929 63.100 -0.050 0.000 0.787 270 P CB 0.674 32.369 31.700 -0.008 0.000 0.920 271 I N 3.757 124.282 120.570 -0.074 0.000 2.287 271 I HA 0.207 4.376 4.170 -0.000 0.000 0.290 271 I C 0.570 176.655 176.117 -0.053 0.000 1.069 271 I CA -0.149 61.103 61.300 -0.081 0.000 1.237 271 I CB -0.469 37.452 38.000 -0.131 0.000 1.418 271 I HN 0.324 nan 8.210 nan 0.000 0.481 272 E N 4.240 124.426 120.200 -0.024 0.000 2.171 272 E HA 0.194 4.544 4.350 -0.000 0.000 0.271 272 E C -0.362 176.236 176.600 -0.004 0.000 0.916 272 E CA -0.598 55.804 56.400 0.002 0.000 0.774 272 E CB 1.254 30.960 29.700 0.010 0.000 1.128 272 E HN 0.441 nan 8.360 nan 0.000 0.403 273 D N 2.671 123.074 120.400 0.006 0.000 2.812 273 D HA -0.205 4.435 4.640 -0.000 0.000 0.237 273 D C 0.763 177.059 176.300 -0.007 0.000 1.162 273 D CA 1.483 55.487 54.000 0.007 0.000 0.740 273 D CB -1.114 39.691 40.800 0.009 0.000 1.000 273 D HN 0.870 nan 8.370 nan 0.000 0.416 274 G N -0.378 108.408 108.800 -0.025 0.000 2.186 274 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.266 274 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.266 274 G C 0.334 175.206 174.900 -0.047 0.000 0.982 274 G CA 1.192 46.264 45.100 -0.046 0.000 0.670 274 G HN 1.438 nan 8.290 nan 0.000 0.533 275 S N -1.543 114.135 115.700 -0.037 0.000 2.579 275 S HA 0.869 5.338 4.470 -0.000 0.000 0.272 275 S C -0.229 174.354 174.600 -0.029 0.000 1.141 275 S CA 0.706 58.889 58.200 -0.029 0.000 0.843 275 S CB 1.865 65.056 63.200 -0.015 0.000 1.122 275 S HN 1.843 nan 8.310 nan 0.000 0.468 276 G N 1.300 110.086 108.800 -0.023 0.000 2.720 276 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 276 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 276 G C -2.095 172.800 174.900 -0.009 0.000 1.437 276 G CA -0.482 44.606 45.100 -0.021 0.000 0.886 276 G HN 0.602 nan 8.290 nan 0.000 0.509 277 E N -0.634 119.563 120.200 -0.005 0.000 2.207 277 E HA 0.798 5.148 4.350 -0.000 0.000 0.270 277 E C -0.890 175.718 176.600 0.013 0.000 0.927 277 E CA -0.544 55.859 56.400 0.005 0.000 0.799 277 E CB 2.243 31.943 29.700 0.000 0.000 1.172 277 E HN 0.670 nan 8.360 nan 0.000 0.404 278 V N 3.057 122.992 119.914 0.035 0.000 3.236 278 V HA 0.559 4.679 4.120 -0.000 0.000 0.287 278 V C -1.723 174.418 176.094 0.078 0.000 1.491 278 V CA -0.591 61.739 62.300 0.051 0.000 1.037 278 V CB 2.318 34.190 31.823 0.082 0.000 1.160 278 V HN 0.472 nan 8.190 nan 0.000 0.453 279 V N 4.115 124.038 119.914 0.014 0.000 2.808 279 V HA 0.534 4.654 4.120 -0.000 0.000 0.308 279 V C -0.841 175.024 176.094 -0.382 0.000 1.099 279 V CA -0.663 61.589 62.300 -0.081 0.000 0.920 279 V CB 1.797 33.576 31.823 -0.074 0.000 1.014 279 V HN 0.842 nan 8.190 nan 0.000 0.425 280 L N 4.342 125.159 121.223 -0.677 0.000 2.276 280 L HA 0.724 5.064 4.340 -0.000 0.000 0.286 280 L C 0.477 177.084 176.870 -0.439 0.000 1.061 280 L CA 0.595 54.906 54.840 -0.882 0.000 0.807 280 L CB 1.557 42.831 42.059 -1.309 0.000 1.177 280 L HN 0.861 nan 8.230 nan 0.000 0.429 281 S N 4.383 119.883 115.700 -0.333 0.000 2.541 281 S HA 0.380 4.849 4.470 -0.000 0.000 0.283 281 S C 1.082 175.572 174.600 -0.183 0.000 1.196 281 S CA -0.485 57.596 58.200 -0.199 0.000 1.062 281 S CB 1.232 64.345 63.200 -0.145 0.000 1.009 281 S HN 0.876 nan 8.310 nan 0.000 0.502 282 R N 1.350 121.787 120.500 -0.105 0.000 2.170 282 R HA -0.172 4.167 4.340 -0.000 0.000 0.242 282 R C 1.973 178.222 176.300 -0.085 0.000 1.145 282 R CA 1.897 57.956 56.100 -0.068 0.000 0.984 282 R CB -0.287 30.033 30.300 0.033 0.000 0.869 282 R HN 0.780 nan 8.270 nan 0.000 0.455 283 K N -0.111 120.238 120.400 -0.084 0.000 2.007 283 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 283 K C 1.761 178.308 176.600 -0.089 0.000 1.047 283 K CA 1.832 58.074 56.287 -0.074 0.000 0.937 283 K CB -0.151 32.310 32.500 -0.064 0.000 0.718 283 K HN 0.074 nan 8.250 nan 0.000 0.438 284 V N 1.433 121.277 119.914 -0.117 0.000 2.287 284 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 284 V C 2.383 178.402 176.094 -0.124 0.000 1.053 284 V CA 1.900 64.126 62.300 -0.124 0.000 1.027 284 V CB -0.839 30.882 31.823 -0.170 0.000 0.646 284 V HN 0.376 nan 8.190 nan 0.000 0.447 285 L N -0.837 120.292 121.223 -0.156 0.000 2.127 285 L HA -0.148 4.191 4.340 -0.000 0.000 0.211 285 L C 2.140 178.958 176.870 -0.087 0.000 1.089 285 L CA 1.854 56.609 54.840 -0.141 0.000 0.757 285 L CB -0.211 41.732 42.059 -0.193 0.000 0.899 285 L HN 0.211 nan 8.230 nan 0.000 0.434 286 L N -1.389 119.788 121.223 -0.077 0.000 2.130 286 L HA -0.054 4.286 4.340 -0.000 0.000 0.200 286 L C 2.174 179.016 176.870 -0.047 0.000 1.075 286 L CA 0.801 55.608 54.840 -0.055 0.000 0.768 286 L CB -0.745 41.281 42.059 -0.055 0.000 0.933 286 L HN 0.102 nan 8.230 nan 0.000 0.451 287 D N 0.573 120.943 120.400 -0.050 0.000 2.160 287 D HA -0.233 4.407 4.640 -0.000 0.000 0.189 287 D C 2.107 178.384 176.300 -0.037 0.000 1.003 287 D CA 1.787 55.762 54.000 -0.041 0.000 0.846 287 D CB -0.724 40.049 40.800 -0.045 0.000 0.949 287 D HN 0.369 nan 8.370 nan 0.000 0.446 288 G N 0.449 109.221 108.800 -0.046 0.000 2.550 288 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.222 288 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.222 288 G C 1.452 176.337 174.900 -0.024 0.000 1.113 288 G CA 2.026 47.102 45.100 -0.040 0.000 0.748 288 G HN 0.370 nan 8.290 nan 0.000 0.585 289 V N -2.916 116.984 119.914 -0.023 0.000 3.458 289 V HA 0.305 4.425 4.120 -0.000 0.000 0.166 289 V C 1.442 177.528 176.094 -0.013 0.000 1.224 289 V CA 0.752 63.045 62.300 -0.012 0.000 1.448 289 V CB -0.299 31.519 31.823 -0.008 0.000 1.279 289 V HN 0.138 nan 8.190 nan 0.000 0.446 290 Q N -0.265 119.527 119.800 -0.014 0.000 2.103 290 Q HA 0.310 4.649 4.340 -0.000 0.000 0.219 290 Q C -0.513 175.477 176.000 -0.018 0.000 0.784 290 Q CA -0.223 55.572 55.803 -0.014 0.000 1.014 290 Q CB 0.468 29.201 28.738 -0.008 0.000 1.183 290 Q HN 0.847 nan 8.270 nan 0.000 0.469 291 N N 1.997 120.683 118.700 -0.023 0.000 2.623 291 N HA -0.072 4.668 4.740 -0.000 0.000 0.271 291 N C -2.858 172.637 175.510 -0.026 0.000 1.206 291 N CA 0.443 53.476 53.050 -0.028 0.000 0.666 291 N CB -0.334 38.137 38.487 -0.027 0.000 0.887 291 N HN 0.247 nan 8.380 nan 0.000 0.554 292 P HA 0.399 nan 4.420 nan 0.000 0.321 292 P C -1.019 176.260 177.300 -0.035 0.000 1.316 292 P CA -0.806 62.278 63.100 -0.026 0.000 1.266 292 P CB 1.005 32.695 31.700 -0.017 0.000 2.022 293 R N 0.841 121.322 120.500 -0.032 0.000 4.368 293 R HA -0.014 4.325 4.340 -0.000 0.000 0.192 293 R C 1.214 177.480 176.300 -0.058 0.000 0.393 293 R CA 0.511 56.587 56.100 -0.040 0.000 0.925 293 R CB -1.416 28.872 30.300 -0.020 0.000 0.967 293 R HN 0.543 nan 8.270 nan 0.000 0.277 294 A N 4.007 126.766 122.820 -0.102 0.000 1.940 294 A HA -0.326 3.993 4.320 -0.000 0.000 0.221 294 A C 1.805 179.326 177.584 -0.105 0.000 1.190 294 A CA 2.050 54.006 52.037 -0.135 0.000 0.647 294 A CB -0.265 18.578 19.000 -0.261 0.000 0.821 294 A HN 0.787 nan 8.150 nan 0.000 0.457 295 E N 0.339 120.484 120.200 -0.091 0.000 2.197 295 E HA -0.251 4.099 4.350 -0.000 0.000 0.205 295 E C 1.515 178.114 176.600 -0.002 0.000 1.029 295 E CA 1.642 58.031 56.400 -0.019 0.000 0.828 295 E CB -0.473 29.238 29.700 0.019 0.000 0.737 295 E HN 0.675 nan 8.360 nan 0.000 0.464 296 D N 0.000 120.395 120.400 -0.008 0.000 2.116 296 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 296 D C 1.703 178.011 176.300 0.014 0.000 0.998 296 D CA 0.851 54.854 54.000 0.004 0.000 0.836 296 D CB -0.290 40.509 40.800 -0.001 0.000 0.951 296 D HN 0.180 nan 8.370 nan 0.000 0.449 297 L N 0.357 121.586 121.223 0.009 0.000 2.549 297 L HA -0.060 4.280 4.340 -0.000 0.000 0.230 297 L C 0.489 177.389 176.870 0.051 0.000 1.162 297 L CA -0.087 54.770 54.840 0.030 0.000 0.834 297 L CB 0.027 42.104 42.059 0.029 0.000 0.947 297 L HN -0.110 nan 8.230 nan 0.000 0.452 298 V N 0.447 120.387 119.914 0.043 0.000 2.529 298 V HA 0.204 4.324 4.120 -0.000 0.000 0.292 298 V C 1.211 177.340 176.094 0.057 0.000 1.028 298 V CA 1.318 63.653 62.300 0.058 0.000 1.074 298 V CB 0.679 32.535 31.823 0.054 0.000 0.958 298 V HN 0.633 nan 8.190 nan 0.000 0.481 299 G N 4.941 113.782 108.800 0.068 0.000 2.307 299 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.210 299 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.210 299 G C 0.385 175.325 174.900 0.067 0.000 1.005 299 G CA 0.095 45.231 45.100 0.060 0.000 0.634 299 G HN 0.603 nan 8.290 nan 0.000 0.496 300 K N 0.950 121.394 120.400 0.073 0.000 2.273 300 K HA 0.622 4.942 4.320 -0.000 0.000 0.240 300 K C 0.659 177.321 176.600 0.102 0.000 1.056 300 K CA 0.367 56.702 56.287 0.080 0.000 0.910 300 K CB 0.633 33.178 32.500 0.076 0.000 1.196 300 K HN 0.557 nan 8.250 nan 0.000 0.509 301 S N -0.574 115.194 115.700 0.113 0.000 2.632 301 S HA 0.599 5.069 4.470 -0.000 0.000 0.289 301 S C -0.699 174.003 174.600 0.171 0.000 1.115 301 S CA -1.108 57.174 58.200 0.136 0.000 0.889 301 S CB 0.913 64.182 63.200 0.115 0.000 1.116 301 S HN 0.360 nan 8.310 nan 0.000 0.486 302 L N 1.037 122.365 121.223 0.176 0.000 2.304 302 L HA 0.740 5.079 4.340 -0.000 0.000 0.268 302 L C -1.076 175.945 176.870 0.251 0.000 1.010 302 L CA -1.184 53.764 54.840 0.180 0.000 0.813 302 L CB 1.609 43.727 42.059 0.099 0.000 1.315 302 L HN 1.017 nan 8.230 nan 0.000 0.445 303 Y N -0.818 119.470 120.300 -0.020 0.000 2.581 303 Y HA 0.720 5.270 4.550 -0.001 0.000 0.337 303 Y C -1.104 174.649 175.900 -0.246 0.000 1.108 303 Y CA -1.381 56.662 58.100 -0.095 0.000 1.033 303 Y CB 1.402 39.828 38.460 -0.058 0.000 1.318 303 Y HN 0.215 nan 8.280 nan 0.000 0.459 304 V N -0.290 119.471 119.914 -0.255 0.000 2.577 304 V HA 0.730 4.850 4.120 -0.000 0.000 0.303 304 V C -0.558 175.396 176.094 -0.234 0.000 1.042 304 V CA -0.688 61.278 62.300 -0.556 0.000 0.872 304 V CB 1.120 32.436 31.823 -0.846 0.000 0.998 304 V HN 0.908 nan 8.190 nan 0.000 0.423 305 S N 3.044 118.637 115.700 -0.178 0.000 2.451 305 S HA 0.880 5.350 4.470 -0.000 0.000 0.301 305 S C -0.032 174.539 174.600 -0.048 0.000 1.116 305 S CA 0.258 58.426 58.200 -0.053 0.000 1.093 305 S CB 1.049 64.260 63.200 0.020 0.000 1.017 305 S HN 1.730 nan 8.310 nan 0.000 0.482 306 A N 3.593 126.402 122.820 -0.018 0.000 2.380 306 A HA 0.857 5.176 4.320 -0.000 0.000 0.315 306 A C -0.640 176.980 177.584 0.060 0.000 1.101 306 A CA -0.701 51.351 52.037 0.025 0.000 0.771 306 A CB 1.617 20.619 19.000 0.004 0.000 1.287 306 A HN 0.714 nan 8.150 nan 0.000 0.436 307 T N 1.099 115.727 114.554 0.124 0.000 3.031 307 T HA 0.486 4.835 4.350 -0.000 0.000 0.305 307 T C -0.770 174.059 174.700 0.214 0.000 0.985 307 T CA -0.343 61.845 62.100 0.147 0.000 1.008 307 T CB 1.052 70.008 68.868 0.146 0.000 1.005 307 T HN 0.520 nan 8.240 nan 0.000 0.444 308 V N 4.490 124.512 119.914 0.180 0.000 2.617 308 V HA 0.598 4.718 4.120 -0.000 0.000 0.298 308 V C -0.104 176.122 176.094 0.220 0.000 1.048 308 V CA -0.838 61.567 62.300 0.174 0.000 0.964 308 V CB 1.524 33.462 31.823 0.191 0.000 1.004 308 V HN 0.780 nan 8.190 nan 0.000 0.466 309 I N 4.275 124.927 120.570 0.137 0.000 2.466 309 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 309 I C -0.281 175.817 176.117 -0.031 0.000 1.026 309 I CA -0.593 60.786 61.300 0.131 0.000 1.078 309 I CB 1.831 39.942 38.000 0.185 0.000 1.249 309 I HN 0.364 nan 8.210 nan 0.000 0.429 310 L N 4.807 126.026 121.223 -0.007 0.000 2.483 310 L HA 0.079 4.419 4.340 -0.000 0.000 0.275 310 L C 1.202 178.049 176.870 -0.038 0.000 1.220 310 L CA 0.034 54.810 54.840 -0.108 0.000 0.833 310 L CB 0.156 42.233 42.059 0.031 0.000 1.102 310 L HN 0.670 nan 8.230 nan 0.000 0.490 311 H N -0.387 118.702 119.070 0.032 0.000 2.545 311 H HA -0.094 4.462 4.556 -0.001 0.000 0.282 311 H C 1.984 177.343 175.328 0.053 0.000 1.020 311 H CA 0.941 57.011 56.048 0.037 0.000 1.243 311 H CB 0.308 30.084 29.762 0.022 0.000 1.377 311 H HN 0.736 nan 8.280 nan 0.000 0.581 312 S N -1.065 114.738 115.700 0.172 0.000 2.527 312 S HA 0.080 4.549 4.470 -0.000 0.000 0.222 312 S C 2.022 176.691 174.600 0.116 0.000 0.985 312 S CA 0.339 58.619 58.200 0.134 0.000 0.921 312 S CB 0.203 63.483 63.200 0.132 0.000 0.772 312 S HN 0.606 nan 8.310 nan 0.000 0.529 313 G N 1.048 109.920 108.800 0.120 0.000 2.189 313 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 313 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 313 G C 0.981 175.943 174.900 0.103 0.000 0.975 313 G CA 0.682 45.847 45.100 0.108 0.000 0.644 313 G HN 0.712 nan 8.290 nan 0.000 0.537 314 S N -0.628 115.142 115.700 0.118 0.000 2.357 314 S HA 0.243 4.713 4.470 -0.000 0.000 0.221 314 S C 0.670 175.341 174.600 0.118 0.000 1.031 314 S CA 1.307 59.576 58.200 0.115 0.000 0.982 314 S CB 0.249 63.530 63.200 0.134 0.000 0.853 314 S HN 0.615 nan 8.310 nan 0.000 0.458 315 D N -0.455 120.040 120.400 0.158 0.000 2.896 315 D HA 0.583 5.223 4.640 -0.000 0.000 0.241 315 D C -1.158 175.242 176.300 0.167 0.000 1.188 315 D CA -0.229 53.860 54.000 0.148 0.000 0.879 315 D CB 1.388 42.305 40.800 0.196 0.000 1.553 315 D HN 0.021 nan 8.370 nan 0.000 0.515 316 M N 2.543 122.174 119.600 0.051 0.000 2.578 316 M HA 0.663 5.143 4.480 -0.000 0.000 0.321 316 M C -1.412 174.808 176.300 -0.133 0.000 1.182 316 M CA -0.826 54.499 55.300 0.041 0.000 0.965 316 M CB 2.012 34.633 32.600 0.035 0.000 1.694 316 M HN 0.182 nan 8.290 nan 0.000 0.461 317 V N 2.754 122.600 119.914 -0.114 0.000 2.668 317 V HA 0.354 4.473 4.120 -0.000 0.000 0.304 317 V C -0.905 175.149 176.094 -0.067 0.000 1.071 317 V CA -0.843 61.325 62.300 -0.220 0.000 0.894 317 V CB 1.921 33.425 31.823 -0.530 0.000 1.008 317 V HN 0.835 nan 8.190 nan 0.000 0.425 318 Q N 1.914 121.674 119.800 -0.066 0.000 2.193 318 Q HA 0.896 5.236 4.340 -0.000 0.000 0.246 318 Q C -0.331 175.647 176.000 -0.037 0.000 0.959 318 Q CA -0.401 55.386 55.803 -0.026 0.000 0.904 318 Q CB 2.247 30.973 28.738 -0.020 0.000 1.238 318 Q HN 1.044 nan 8.270 nan 0.000 0.469 319 A N 1.553 124.362 122.820 -0.018 0.000 2.590 319 A HA 0.454 4.774 4.320 -0.000 0.000 0.296 319 A C -1.887 175.687 177.584 -0.016 0.000 1.050 319 A CA -0.658 51.366 52.037 -0.021 0.000 0.697 319 A CB 1.630 20.615 19.000 -0.024 0.000 1.277 319 A HN 0.715 nan 8.150 nan 0.000 0.411 320 E N 1.098 121.290 120.200 -0.014 0.000 2.291 320 E HA 0.571 4.921 4.350 -0.000 0.000 0.276 320 E C -0.938 175.657 176.600 -0.008 0.000 0.896 320 E CA -0.791 55.604 56.400 -0.009 0.000 0.774 320 E CB 1.574 31.286 29.700 0.021 0.000 1.227 320 E HN 0.711 nan 8.360 nan 0.000 0.413 321 R N 2.494 122.982 120.500 -0.021 0.000 2.265 321 R HA 0.395 4.734 4.340 -0.000 0.000 0.314 321 R C -1.237 175.079 176.300 0.027 0.000 1.053 321 R CA 0.041 56.137 56.100 -0.007 0.000 0.931 321 R CB 1.236 31.523 30.300 -0.022 0.000 1.024 321 R HN 0.457 nan 8.270 nan 0.000 0.457 322 S N 2.205 117.926 115.700 0.034 0.000 2.718 322 S HA 0.572 5.041 4.470 -0.000 0.000 0.300 322 S C -0.195 174.441 174.600 0.061 0.000 1.117 322 S CA -0.456 57.774 58.200 0.050 0.000 1.002 322 S CB 1.630 64.820 63.200 -0.017 0.000 1.092 322 S HN 0.944 nan 8.310 nan 0.000 0.542 323 G N 1.089 109.931 108.800 0.070 0.000 2.332 323 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.277 323 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.277 323 G C -0.302 174.655 174.900 0.095 0.000 0.884 323 G CA 0.107 45.254 45.100 0.077 0.000 1.251 323 G HN 0.561 nan 8.290 nan 0.000 0.462 324 I N 1.837 122.478 120.570 0.118 0.000 2.371 324 I HA 0.246 4.415 4.170 -0.000 0.000 0.290 324 I C -1.805 174.412 176.117 0.166 0.000 1.028 324 I CA -2.331 59.049 61.300 0.134 0.000 1.345 324 I CB 1.504 39.577 38.000 0.121 0.000 1.407 324 I HN 0.019 nan 8.210 nan 0.000 0.501 325 P HA 0.251 nan 4.420 nan 0.000 0.279 325 P C -0.624 176.825 177.300 0.248 0.000 1.239 325 P CA -0.181 63.030 63.100 0.185 0.000 0.789 325 P CB 0.599 32.389 31.700 0.151 0.000 0.933 326 I N 3.408 124.105 120.570 0.211 0.000 2.301 326 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 326 I C 0.279 176.504 176.117 0.180 0.000 1.046 326 I CA -0.501 60.944 61.300 0.241 0.000 1.282 326 I CB 0.540 38.663 38.000 0.206 0.000 1.409 326 I HN 0.104 nan 8.210 nan 0.000 0.484 327 V N 1.526 121.563 119.914 0.205 0.000 3.007 327 V HA 0.513 4.632 4.120 -0.000 0.000 0.311 327 V C 0.547 176.761 176.094 0.200 0.000 1.120 327 V CA -0.501 61.887 62.300 0.146 0.000 0.980 327 V CB 1.463 33.322 31.823 0.059 0.000 1.033 327 V HN 0.740 nan 8.190 nan 0.000 0.429 328 T N -1.869 112.780 114.554 0.159 0.000 3.037 328 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 328 T C 0.814 175.656 174.700 0.236 0.000 1.073 328 T CA 0.788 63.034 62.100 0.243 0.000 1.091 328 T CB 0.151 69.103 68.868 0.140 0.000 0.935 328 T HN 1.042 nan 8.240 nan 0.000 0.488 329 S N 0.997 116.718 115.700 0.036 0.000 2.536 329 S HA 0.552 5.022 4.470 -0.000 0.000 0.287 329 S C -2.366 172.011 174.600 -0.370 0.000 1.101 329 S CA -1.586 56.538 58.200 -0.127 0.000 0.950 329 S CB 1.922 65.064 63.200 -0.097 0.000 1.056 329 S HN -0.145 nan 8.310 nan 0.000 0.481 330 P HA 0.051 nan 4.420 nan 0.000 0.217 330 P C -0.708 176.011 177.300 -0.967 0.000 1.150 330 P CA 1.239 63.594 63.100 -1.242 0.000 0.832 330 P CB -0.014 30.891 31.700 -1.324 0.000 0.787 331 Y N -1.419 118.674 120.300 -0.345 0.000 2.496 331 Y HA 0.549 5.098 4.550 -0.001 0.000 0.331 331 Y C 0.964 176.710 175.900 -0.258 0.000 1.140 331 Y CA -0.823 57.112 58.100 -0.276 0.000 1.166 331 Y CB 0.864 39.185 38.460 -0.232 0.000 1.249 331 Y HN -0.245 nan 8.280 nan 0.000 0.479 332 Q N 1.131 120.866 119.800 -0.108 0.000 2.359 332 Q HA 0.707 5.047 4.340 -0.000 0.000 0.275 332 Q C -1.484 174.269 176.000 -0.413 0.000 1.082 332 Q CA -0.924 54.729 55.803 -0.250 0.000 0.849 332 Q CB 2.664 31.279 28.738 -0.203 0.000 1.377 332 Q HN 0.607 nan 8.270 nan 0.000 0.452 333 I N 2.049 122.229 120.570 -0.649 0.000 2.478 333 I HA 0.363 4.533 4.170 -0.000 0.000 0.287 333 I C -1.117 174.448 176.117 -0.921 0.000 1.042 333 I CA -0.658 60.240 61.300 -0.671 0.000 1.067 333 I CB 1.354 39.060 38.000 -0.489 0.000 1.233 333 I HN 0.486 nan 8.210 nan 0.000 0.431 334 H N 6.237 125.085 119.070 -0.371 0.000 2.600 334 H HA 0.354 4.910 4.556 -0.000 0.000 0.357 334 H C -0.753 174.417 175.328 -0.264 0.000 1.106 334 H CA -0.581 55.317 56.048 -0.250 0.000 1.193 334 H CB 2.230 32.055 29.762 0.105 0.000 1.594 334 H HN 0.447 nan 8.280 nan 0.000 0.526 335 F N 0.594 120.641 119.950 0.162 0.000 2.668 335 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 335 F C 2.017 177.838 175.800 0.035 0.000 1.106 335 F CA -0.203 57.839 58.000 0.069 0.000 1.289 335 F CB 0.229 39.255 39.000 0.043 0.000 1.006 335 F HN 0.462 nan 8.300 nan 0.000 0.535 336 T N -3.818 110.838 114.554 0.171 0.000 3.148 336 T HA 0.029 4.379 4.350 -0.000 0.000 0.253 336 T C 1.409 176.054 174.700 -0.092 0.000 1.134 336 T CA 0.542 62.677 62.100 0.058 0.000 1.051 336 T CB -0.137 68.754 68.868 0.038 0.000 0.959 336 T HN 0.197 nan 8.240 nan 0.000 0.525 337 K N 0.498 120.804 120.400 -0.157 0.000 2.358 337 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 337 K C -0.116 176.338 176.600 -0.244 0.000 1.030 337 K CA -0.022 56.038 56.287 -0.379 0.000 1.097 337 K CB 0.863 33.048 32.500 -0.525 0.000 0.862 337 K HN 0.202 nan 8.250 nan 0.000 0.534 338 T N 2.834 117.352 114.554 -0.060 0.000 2.824 338 T HA 0.294 4.644 4.350 -0.000 0.000 0.280 338 T C -2.568 172.167 174.700 0.059 0.000 0.995 338 T CA -1.789 60.307 62.100 -0.007 0.000 1.009 338 T CB 1.918 70.819 68.868 0.056 0.000 0.955 338 T HN -0.127 nan 8.240 nan 0.000 0.452 339 P HA 0.187 nan 4.420 nan 0.000 0.272 339 P C 0.190 177.537 177.300 0.078 0.000 1.248 339 P CA -0.328 62.850 63.100 0.131 0.000 0.799 339 P CB 0.485 32.328 31.700 0.237 0.000 0.997 340 K N 0.034 120.362 120.400 -0.120 0.000 2.646 340 K HA 0.284 4.603 4.320 -0.000 0.000 0.206 340 K C -0.957 175.344 176.600 -0.499 0.000 1.069 340 K CA -0.121 55.975 56.287 -0.318 0.000 1.067 340 K CB 0.048 32.285 32.500 -0.439 0.000 0.807 340 K HN 0.433 nan 8.250 nan 0.000 0.482 341 Y N 0.246 120.551 120.300 0.009 0.000 2.390 341 Y HA 0.300 4.850 4.550 -0.000 0.000 0.324 341 Y C -0.303 175.517 175.900 -0.135 0.000 1.151 341 Y CA -2.221 55.864 58.100 -0.025 0.000 1.053 341 Y CB 0.856 39.330 38.460 0.023 0.000 1.277 341 Y HN 0.036 nan 8.280 nan 0.000 0.432 342 F N 0.160 119.944 119.950 -0.277 0.000 2.631 342 F HA 0.971 5.497 4.527 -0.000 0.000 0.350 342 F C -1.162 174.469 175.800 -0.282 0.000 1.080 342 F CA -1.493 56.230 58.000 -0.462 0.000 1.026 342 F CB 1.372 39.894 39.000 -0.797 0.000 1.347 342 F HN 0.115 nan 8.300 nan 0.000 0.501 343 K N 1.595 121.691 120.400 -0.506 0.000 2.339 343 K HA 0.454 4.774 4.320 -0.000 0.000 0.264 343 K C -2.889 173.374 176.600 -0.561 0.000 0.986 343 K CA -2.128 53.702 56.287 -0.762 0.000 0.866 343 K CB 1.163 33.278 32.500 -0.643 0.000 1.103 343 K HN 0.240 nan 8.250 nan 0.000 0.441 344 P HA 0.030 nan 4.420 nan 0.000 0.264 344 P C 0.784 178.067 177.300 -0.028 0.000 1.193 344 P CA 0.749 63.783 63.100 -0.111 0.000 0.763 344 P CB 0.867 32.505 31.700 -0.103 0.000 0.810 345 G N 2.331 111.192 108.800 0.102 0.000 2.317 345 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.227 345 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.227 345 G C 0.170 175.097 174.900 0.044 0.000 1.042 345 G CA -0.237 44.916 45.100 0.088 0.000 0.623 345 G HN 0.466 nan 8.290 nan 0.000 0.509 346 M N 1.791 121.380 119.600 -0.018 0.000 2.274 346 M HA 0.376 4.855 4.480 -0.000 0.000 0.344 346 M C -2.485 173.771 176.300 -0.074 0.000 1.161 346 M CA -1.584 53.668 55.300 -0.080 0.000 1.126 346 M CB 0.767 33.239 32.600 -0.215 0.000 1.522 346 M HN -0.082 nan 8.290 nan 0.000 0.461 347 P HA 0.045 nan 4.420 nan 0.000 0.268 347 P C -1.128 176.174 177.300 0.003 0.000 1.204 347 P CA 0.105 63.200 63.100 -0.009 0.000 0.768 347 P CB 0.187 31.905 31.700 0.031 0.000 0.842 348 F N 3.557 123.447 119.950 -0.101 0.000 2.411 348 F HA 0.296 4.823 4.527 -0.000 0.000 0.352 348 F C -0.358 175.425 175.800 -0.028 0.000 1.123 348 F CA -1.431 56.528 58.000 -0.068 0.000 1.044 348 F CB 0.572 39.523 39.000 -0.080 0.000 1.135 348 F HN 0.154 nan 8.300 nan 0.000 0.461 349 D N 6.740 126.957 120.400 -0.304 0.000 2.336 349 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 349 D C -0.539 175.343 176.300 -0.697 0.000 1.213 349 D CA 0.175 53.956 54.000 -0.364 0.000 0.870 349 D CB 0.912 41.620 40.800 -0.154 0.000 1.076 349 D HN 0.334 nan 8.370 nan 0.000 0.483 350 L N 3.024 123.907 121.223 -0.567 0.000 2.265 350 L HA 0.270 4.609 4.340 -0.000 0.000 0.288 350 L C 0.367 177.094 176.870 -0.239 0.000 1.058 350 L CA -0.073 54.477 54.840 -0.483 0.000 0.809 350 L CB 0.842 42.712 42.059 -0.316 0.000 1.179 350 L HN 0.198 nan 8.230 nan 0.000 0.429 351 M N 4.736 124.225 119.600 -0.186 0.000 2.754 351 M HA 0.266 4.746 4.480 -0.000 0.000 0.327 351 M C -0.700 175.599 176.300 -0.003 0.000 1.288 351 M CA -0.391 54.842 55.300 -0.112 0.000 1.324 351 M CB 0.544 33.041 32.600 -0.171 0.000 1.169 351 M HN 0.129 nan 8.290 nan 0.000 0.494 352 V N 3.313 123.244 119.914 0.028 0.000 2.583 352 V HA 0.222 4.341 4.120 -0.000 0.000 0.287 352 V C -0.275 175.881 176.094 0.103 0.000 1.051 352 V CA -0.335 62.008 62.300 0.071 0.000 1.010 352 V CB 1.018 32.857 31.823 0.028 0.000 0.988 352 V HN 0.495 nan 8.190 nan 0.000 0.478 353 F N 5.664 125.564 119.950 -0.084 0.000 2.388 353 F HA 0.614 5.141 4.527 -0.001 0.000 0.358 353 F C -0.233 175.552 175.800 -0.025 0.000 1.122 353 F CA -1.103 56.871 58.000 -0.043 0.000 1.056 353 F CB 1.430 40.425 39.000 -0.007 0.000 1.155 353 F HN 0.207 nan 8.300 nan 0.000 0.461 354 V N 5.719 125.440 119.914 -0.322 0.000 2.304 354 V HA 0.304 4.424 4.120 -0.000 0.000 0.278 354 V C -0.144 175.697 176.094 -0.422 0.000 1.018 354 V CA -0.581 61.510 62.300 -0.349 0.000 0.814 354 V CB 1.270 32.950 31.823 -0.239 0.000 1.021 354 V HN 0.845 nan 8.190 nan 0.000 0.440 355 T N 1.598 115.897 114.554 -0.425 0.000 2.875 355 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 355 T C 0.206 174.839 174.700 -0.112 0.000 0.995 355 T CA -0.813 61.100 62.100 -0.311 0.000 1.060 355 T CB 1.215 69.928 68.868 -0.259 0.000 0.967 355 T HN 0.413 nan 8.240 nan 0.000 0.476 356 N N 2.757 121.420 118.700 -0.062 0.000 2.260 356 N HA 0.128 4.868 4.740 -0.000 0.000 0.230 356 N C -1.580 173.876 175.510 -0.090 0.000 1.323 356 N CA -1.514 51.493 53.050 -0.070 0.000 0.897 356 N CB 0.323 38.802 38.487 -0.014 0.000 1.146 356 N HN 0.400 nan 8.380 nan 0.000 0.460 357 P HA -0.145 nan 4.420 nan 0.000 0.213 357 P C 0.702 178.005 177.300 0.005 0.000 1.170 357 P CA 1.488 64.540 63.100 -0.080 0.000 0.898 357 P CB 0.005 31.657 31.700 -0.080 0.000 0.787 358 D N -0.915 119.510 120.400 0.042 0.000 2.303 358 D HA -0.193 4.446 4.640 -0.000 0.000 0.190 358 D C 1.660 177.984 176.300 0.040 0.000 1.011 358 D CA 2.630 56.663 54.000 0.055 0.000 0.860 358 D CB -1.337 39.503 40.800 0.066 0.000 0.961 358 D HN 0.381 nan 8.370 nan 0.000 0.453 359 G N -1.491 107.326 108.800 0.028 0.000 4.080 359 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.219 359 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.219 359 G C 0.076 174.986 174.900 0.018 0.000 0.843 359 G CA 0.404 45.519 45.100 0.025 0.000 0.856 359 G HN 0.793 nan 8.290 nan 0.000 0.616 360 S N 2.399 118.113 115.700 0.023 0.000 2.549 360 S HA 0.532 5.002 4.470 -0.000 0.000 0.283 360 S C -2.016 172.582 174.600 -0.004 0.000 1.320 360 S CA -0.805 57.416 58.200 0.035 0.000 1.058 360 S CB 1.290 64.518 63.200 0.047 0.000 0.882 360 S HN 0.187 nan 8.310 nan 0.000 0.498 361 P HA 0.152 nan 4.420 nan 0.000 0.262 361 P C -0.808 176.514 177.300 0.037 0.000 1.182 361 P CA 0.062 63.167 63.100 0.010 0.000 0.761 361 P CB 0.263 32.041 31.700 0.130 0.000 0.795 362 A N 4.566 127.395 122.820 0.014 0.000 2.260 362 A HA 0.365 4.684 4.320 -0.000 0.000 0.314 362 A C -0.752 176.893 177.584 0.101 0.000 1.257 362 A CA -0.750 51.335 52.037 0.079 0.000 0.871 362 A CB 0.172 19.238 19.000 0.111 0.000 1.166 362 A HN 0.601 nan 8.150 nan 0.000 0.522 363 Y N 2.378 122.682 120.300 0.006 0.000 2.301 363 Y HA 0.422 4.972 4.550 -0.000 0.000 0.325 363 Y C 1.258 177.141 175.900 -0.028 0.000 1.203 363 Y CA 0.101 58.195 58.100 -0.010 0.000 1.255 363 Y CB 0.488 38.951 38.460 0.005 0.000 1.232 363 Y HN 0.915 nan 8.280 nan 0.000 0.501 364 R N 1.808 121.766 120.500 -0.905 0.000 3.951 364 R HA -0.185 4.155 4.340 -0.000 0.000 0.352 364 R C -1.029 175.019 176.300 -0.421 0.000 1.178 364 R CA 0.717 56.293 56.100 -0.874 0.000 0.949 364 R CB -1.669 28.034 30.300 -0.996 0.000 1.452 364 R HN 0.421 nan 8.270 nan 0.000 0.540 365 V N 2.384 122.095 119.914 -0.338 0.000 2.488 365 V HA 0.376 4.496 4.120 -0.000 0.000 0.277 365 V C -1.823 174.088 176.094 -0.304 0.000 1.046 365 V CA -1.632 60.449 62.300 -0.367 0.000 0.986 365 V CB 1.200 32.703 31.823 -0.533 0.000 0.989 365 V HN -0.007 nan 8.190 nan 0.000 0.475 366 P HA 0.313 nan 4.420 nan 0.000 0.275 366 P C -0.879 176.302 177.300 -0.199 0.000 1.227 366 P CA 0.165 63.145 63.100 -0.202 0.000 0.781 366 P CB 1.422 33.022 31.700 -0.166 0.000 0.906 367 V N -1.030 118.796 119.914 -0.148 0.000 3.049 367 V HA 0.987 5.106 4.120 -0.000 0.000 0.309 367 V C -1.171 174.871 176.094 -0.086 0.000 1.148 367 V CA -1.050 61.176 62.300 -0.123 0.000 0.990 367 V CB 1.578 33.330 31.823 -0.118 0.000 1.039 367 V HN 0.871 nan 8.190 nan 0.000 0.430 368 A N 2.139 124.919 122.820 -0.066 0.000 2.564 368 A HA 0.914 5.234 4.320 -0.000 0.000 0.291 368 A C -0.968 176.597 177.584 -0.032 0.000 1.102 368 A CA -0.226 51.780 52.037 -0.051 0.000 0.660 368 A CB 1.304 20.271 19.000 -0.054 0.000 1.283 368 A HN 1.745 nan 8.150 nan 0.000 0.430 369 V N 0.331 120.227 119.914 -0.031 0.000 3.234 369 V HA 0.318 4.438 4.120 -0.000 0.000 0.317 369 V C 1.721 177.800 176.094 -0.025 0.000 1.081 369 V CA 0.189 62.476 62.300 -0.021 0.000 1.037 369 V CB 1.356 33.159 31.823 -0.033 0.000 1.148 369 V HN 1.126 nan 8.190 nan 0.000 0.453 370 Q N 1.970 121.757 119.800 -0.021 0.000 1.935 370 Q HA -0.157 4.183 4.340 -0.000 0.000 0.212 370 Q C 1.910 177.893 176.000 -0.028 0.000 1.008 370 Q CA 2.779 58.568 55.803 -0.022 0.000 0.868 370 Q CB -1.327 27.397 28.738 -0.022 0.000 0.946 370 Q HN 0.946 nan 8.270 nan 0.000 0.418 371 G N 0.446 109.225 108.800 -0.035 0.000 2.628 371 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 371 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 371 G C -0.006 174.874 174.900 -0.033 0.000 1.240 371 G CA 0.890 45.968 45.100 -0.035 0.000 0.792 371 G HN 0.463 nan 8.290 nan 0.000 0.593 372 E N 1.103 121.280 120.200 -0.038 0.000 2.200 372 E HA 0.175 4.525 4.350 -0.000 0.000 0.283 372 E C 0.069 176.649 176.600 -0.034 0.000 1.015 372 E CA -0.416 55.963 56.400 -0.036 0.000 0.819 372 E CB 1.524 31.200 29.700 -0.040 0.000 1.081 372 E HN 0.224 nan 8.360 nan 0.000 0.397 373 D N 1.430 121.812 120.400 -0.030 0.000 2.183 373 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 373 D C 1.666 177.947 176.300 -0.033 0.000 0.969 373 D CA 1.119 55.101 54.000 -0.031 0.000 0.842 373 D CB -0.015 40.769 40.800 -0.026 0.000 0.957 373 D HN 0.362 nan 8.370 nan 0.000 0.484 374 T N 0.090 114.626 114.554 -0.031 0.000 2.942 374 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 374 T C 0.887 175.566 174.700 -0.035 0.000 1.062 374 T CA 0.084 62.166 62.100 -0.030 0.000 1.139 374 T CB -0.086 68.767 68.868 -0.026 0.000 0.883 374 T HN -0.044 nan 8.240 nan 0.000 0.468 375 V N 2.774 122.666 119.914 -0.038 0.000 2.450 375 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 375 V C -0.512 175.553 176.094 -0.048 0.000 1.019 375 V CA 0.128 62.402 62.300 -0.042 0.000 1.062 375 V CB 0.469 32.265 31.823 -0.045 0.000 0.979 375 V HN 0.478 nan 8.190 nan 0.000 0.477 376 Q N 4.397 124.166 119.800 -0.051 0.000 2.495 376 Q HA 0.750 5.090 4.340 -0.000 0.000 0.287 376 Q C -1.215 174.747 176.000 -0.063 0.000 1.078 376 Q CA -0.601 55.165 55.803 -0.061 0.000 0.793 376 Q CB 2.591 31.291 28.738 -0.063 0.000 1.459 376 Q HN 0.970 nan 8.270 nan 0.000 0.422 377 S N 0.413 116.068 115.700 -0.075 0.000 2.570 377 S HA 0.456 4.926 4.470 -0.000 0.000 0.286 377 S C -1.334 173.211 174.600 -0.093 0.000 1.143 377 S CA -0.685 57.471 58.200 -0.074 0.000 0.921 377 S CB 0.694 63.855 63.200 -0.065 0.000 1.108 377 S HN 0.382 nan 8.310 nan 0.000 0.456 378 L N 2.075 123.239 121.223 -0.098 0.000 2.598 378 L HA 0.596 4.936 4.340 -0.000 0.000 0.202 378 L C 0.900 177.707 176.870 -0.106 0.000 1.190 378 L CA 0.133 54.893 54.840 -0.134 0.000 0.869 378 L CB 0.250 42.210 42.059 -0.165 0.000 1.529 378 L HN 0.897 nan 8.230 nan 0.000 0.520 379 T N -0.037 114.442 114.554 -0.125 0.000 2.833 379 T HA 0.405 4.755 4.350 -0.000 0.000 0.297 379 T C -0.251 174.518 174.700 0.115 0.000 1.015 379 T CA -0.692 61.389 62.100 -0.032 0.000 0.963 379 T CB 0.960 69.792 68.868 -0.059 0.000 0.955 379 T HN 0.345 nan 8.240 nan 0.000 0.449 380 Q N 1.145 121.038 119.800 0.155 0.000 2.651 380 Q HA 0.267 4.607 4.340 -0.000 0.000 0.224 380 Q C 1.802 177.964 176.000 0.271 0.000 1.094 380 Q CA -0.176 55.782 55.803 0.258 0.000 1.018 380 Q CB 0.284 29.086 28.738 0.107 0.000 1.292 380 Q HN 0.871 nan 8.270 nan 0.000 0.588 381 G N 0.956 109.784 108.800 0.047 0.000 2.601 381 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.214 381 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.214 381 G C 0.257 175.157 174.900 0.001 0.000 1.132 381 G CA 1.001 46.014 45.100 -0.146 0.000 0.761 381 G HN 0.737 nan 8.290 nan 0.000 0.550 382 D N -1.369 119.071 120.400 0.067 0.000 2.402 382 D HA 0.219 4.858 4.640 -0.000 0.000 0.216 382 D C 1.439 177.846 176.300 0.177 0.000 1.128 382 D CA -0.170 53.882 54.000 0.087 0.000 0.833 382 D CB -0.553 40.271 40.800 0.041 0.000 0.971 382 D HN 0.265 nan 8.370 nan 0.000 0.503 383 G N 0.045 108.948 108.800 0.172 0.000 2.273 383 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.280 383 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.280 383 G C -0.121 174.914 174.900 0.225 0.000 1.047 383 G CA 0.491 45.687 45.100 0.160 0.000 0.869 383 G HN 0.398 nan 8.290 nan 0.000 0.502 384 V N -0.553 119.450 119.914 0.149 0.000 2.735 384 V HA 0.896 5.016 4.120 -0.000 0.000 0.310 384 V C 0.280 176.393 176.094 0.031 0.000 1.061 384 V CA -0.348 62.013 62.300 0.101 0.000 0.913 384 V CB 2.059 33.904 31.823 0.037 0.000 1.005 384 V HN 1.325 nan 8.190 nan 0.000 0.428 385 A N 3.478 126.298 122.820 0.001 0.000 2.343 385 A HA 0.792 5.112 4.320 -0.000 0.000 0.308 385 A C -0.695 176.858 177.584 -0.053 0.000 1.092 385 A CA -0.780 51.237 52.037 -0.033 0.000 0.751 385 A CB 1.349 20.317 19.000 -0.054 0.000 1.203 385 A HN 0.803 nan 8.150 nan 0.000 0.452 386 K N 3.179 123.542 120.400 -0.062 0.000 2.264 386 K HA 0.646 4.966 4.320 -0.000 0.000 0.277 386 K C -1.530 175.019 176.600 -0.085 0.000 1.067 386 K CA 0.113 56.350 56.287 -0.084 0.000 0.900 386 K CB 0.124 32.578 32.500 -0.076 0.000 1.124 386 K HN 0.610 nan 8.250 nan 0.000 0.469 387 L N 3.516 124.675 121.223 -0.106 0.000 2.365 387 L HA 0.501 4.840 4.340 -0.000 0.000 0.273 387 L C -0.760 176.031 176.870 -0.133 0.000 1.000 387 L CA -0.764 54.016 54.840 -0.100 0.000 0.819 387 L CB 2.305 44.312 42.059 -0.086 0.000 1.284 387 L HN 0.846 nan 8.230 nan 0.000 0.418 388 S N 3.488 119.129 115.700 -0.098 0.000 2.519 388 S HA 0.754 5.224 4.470 -0.000 0.000 0.309 388 S C -0.648 173.916 174.600 -0.060 0.000 1.100 388 S CA -0.760 57.385 58.200 -0.093 0.000 1.059 388 S CB 1.497 64.663 63.200 -0.055 0.000 1.008 388 S HN 0.529 nan 8.310 nan 0.000 0.478 389 I N 0.090 120.634 120.570 -0.043 0.000 2.404 389 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 389 I C -0.582 175.525 176.117 -0.016 0.000 0.992 389 I CA -1.010 60.269 61.300 -0.035 0.000 1.149 389 I CB 1.465 39.437 38.000 -0.046 0.000 1.315 389 I HN 0.503 nan 8.210 nan 0.000 0.446 390 N N 4.378 123.054 118.700 -0.041 0.000 2.442 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.265 390 N C -0.177 175.282 175.510 -0.085 0.000 1.138 390 N CA -0.004 53.023 53.050 -0.038 0.000 0.956 390 N CB 1.481 39.949 38.487 -0.032 0.000 1.067 390 N HN 0.745 nan 8.380 nan 0.000 0.474 391 T N 1.403 115.934 114.554 -0.039 0.000 2.934 391 T HA 0.130 4.480 4.350 -0.000 0.000 0.283 391 T C -0.294 174.433 174.700 0.045 0.000 1.005 391 T CA -0.514 61.552 62.100 -0.056 0.000 1.041 391 T CB 0.580 69.454 68.868 0.010 0.000 1.042 391 T HN 0.350 nan 8.240 nan 0.000 0.505 392 H N 3.444 122.544 119.070 0.050 0.000 2.548 392 H HA 0.290 4.846 4.556 -0.000 0.000 0.331 392 H C -1.746 173.644 175.328 0.102 0.000 1.093 392 H CA -2.118 53.967 56.048 0.062 0.000 1.367 392 H CB 1.345 31.130 29.762 0.038 0.000 1.455 392 H HN 0.432 nan 8.280 nan 0.000 0.519 393 P HA -0.042 nan 4.420 nan 0.000 0.246 393 P C -0.443 176.919 177.300 0.103 0.000 1.675 393 P CA 0.060 63.239 63.100 0.131 0.000 0.908 393 P CB -0.582 31.178 31.700 0.101 0.000 1.890 394 S N -0.088 115.694 115.700 0.137 0.000 2.449 394 S HA 0.256 4.726 4.470 -0.000 0.000 0.310 394 S C 0.536 175.201 174.600 0.107 0.000 1.096 394 S CA -0.715 57.546 58.200 0.101 0.000 1.095 394 S CB 1.240 64.501 63.200 0.102 0.000 1.007 394 S HN -0.091 nan 8.310 nan 0.000 0.474 395 Q N 2.277 122.116 119.800 0.065 0.000 2.800 395 Q HA 0.192 4.531 4.340 -0.000 0.000 0.261 395 Q C -0.376 175.661 176.000 0.062 0.000 1.093 395 Q CA 0.459 56.290 55.803 0.047 0.000 0.943 395 Q CB -0.638 28.114 28.738 0.023 0.000 1.591 395 Q HN 0.681 nan 8.270 nan 0.000 0.429 396 K N 1.056 121.520 120.400 0.106 0.000 2.345 396 K HA 0.421 4.741 4.320 -0.000 0.000 0.255 396 K C -2.634 174.055 176.600 0.149 0.000 0.934 396 K CA -2.130 54.217 56.287 0.100 0.000 0.801 396 K CB 1.577 34.124 32.500 0.079 0.000 1.137 396 K HN -0.099 nan 8.250 nan 0.000 0.424 397 P HA -0.116 nan 4.420 nan 0.000 0.263 397 P C -1.181 176.157 177.300 0.063 0.000 1.175 397 P CA -0.170 63.008 63.100 0.130 0.000 0.761 397 P CB 0.344 32.090 31.700 0.076 0.000 0.794 398 L N 3.345 124.564 121.223 -0.007 0.000 2.272 398 L HA 0.370 4.709 4.340 -0.000 0.000 0.284 398 L C 0.016 176.762 176.870 -0.207 0.000 1.045 398 L CA -0.062 54.632 54.840 -0.243 0.000 0.842 398 L CB 0.484 42.074 42.059 -0.783 0.000 1.224 398 L HN 0.166 nan 8.230 nan 0.000 0.430 399 S N 5.166 120.786 115.700 -0.133 0.000 2.489 399 S HA 0.683 5.153 4.470 -0.000 0.000 0.277 399 S C -0.256 174.262 174.600 -0.137 0.000 1.230 399 S CA -0.451 57.680 58.200 -0.116 0.000 1.053 399 S CB -0.017 63.144 63.200 -0.064 0.000 0.955 399 S HN 0.464 nan 8.310 nan 0.000 0.488 400 I N 3.927 124.396 120.570 -0.169 0.000 2.530 400 I HA 0.450 4.619 4.170 -0.000 0.000 0.297 400 I C -0.027 176.019 176.117 -0.117 0.000 1.011 400 I CA -0.260 60.947 61.300 -0.155 0.000 1.107 400 I CB 2.326 40.212 38.000 -0.190 0.000 1.285 400 I HN 0.435 nan 8.210 nan 0.000 0.436 401 T N 4.288 118.825 114.554 -0.028 0.000 2.937 401 T HA 0.600 4.950 4.350 -0.000 0.000 0.297 401 T C -0.383 174.374 174.700 0.094 0.000 0.991 401 T CA -0.509 61.631 62.100 0.068 0.000 0.990 401 T CB 1.414 70.307 68.868 0.041 0.000 0.991 401 T HN 0.227 nan 8.240 nan 0.000 0.440 402 V N 3.078 123.117 119.914 0.209 0.000 2.966 402 V HA 0.751 4.871 4.120 -0.000 0.000 0.317 402 V C 0.202 176.315 176.094 0.032 0.000 1.070 402 V CA -1.013 61.358 62.300 0.118 0.000 1.008 402 V CB 1.849 33.774 31.823 0.171 0.000 1.070 402 V HN 0.829 nan 8.190 nan 0.000 0.457 403 R N 0.678 121.165 120.500 -0.022 0.000 2.566 403 R HA 0.441 4.781 4.340 -0.000 0.000 0.271 403 R C -0.536 175.711 176.300 -0.088 0.000 1.071 403 R CA -0.385 55.683 56.100 -0.054 0.000 0.915 403 R CB 1.972 32.249 30.300 -0.038 0.000 1.228 403 R HN 0.918 nan 8.270 nan 0.000 0.449 404 T N 1.635 116.121 114.554 -0.113 0.000 2.855 404 T HA 0.233 4.583 4.350 -0.000 0.000 0.314 404 T C 0.138 174.763 174.700 -0.124 0.000 1.077 404 T CA -0.457 61.547 62.100 -0.160 0.000 1.095 404 T CB 0.625 69.383 68.868 -0.183 0.000 0.987 404 T HN 0.398 nan 8.240 nan 0.000 0.546 405 K N 1.057 121.368 120.400 -0.147 0.000 3.350 405 K HA 0.249 4.569 4.320 -0.000 0.000 0.167 405 K C -0.674 175.860 176.600 -0.111 0.000 1.058 405 K CA -0.604 55.619 56.287 -0.107 0.000 0.783 405 K CB 1.148 33.593 32.500 -0.092 0.000 0.872 405 K HN 0.628 nan 8.250 nan 0.000 0.561 406 K N 1.563 121.901 120.400 -0.104 0.000 2.227 406 K HA 0.182 4.502 4.320 -0.000 0.000 0.280 406 K C -0.032 176.541 176.600 -0.045 0.000 1.041 406 K CA -0.083 56.156 56.287 -0.080 0.000 0.905 406 K CB 0.753 33.229 32.500 -0.041 0.000 1.068 406 K HN 0.115 nan 8.250 nan 0.000 0.470 407 Q N 2.893 122.665 119.800 -0.046 0.000 2.395 407 Q HA -0.017 4.322 4.340 -0.000 0.000 0.271 407 Q C -0.390 175.595 176.000 -0.025 0.000 1.026 407 Q CA 0.878 56.660 55.803 -0.035 0.000 0.900 407 Q CB 0.396 29.113 28.738 -0.035 0.000 1.266 407 Q HN 0.811 nan 8.270 nan 0.000 0.430 408 E N -0.851 119.333 120.200 -0.027 0.000 4.129 408 E HA -0.219 4.131 4.350 -0.000 0.000 0.354 408 E C -1.087 175.489 176.600 -0.040 0.000 0.673 408 E CA 0.148 56.532 56.400 -0.028 0.000 1.347 408 E CB -0.634 29.055 29.700 -0.019 0.000 1.722 408 E HN 0.297 nan 8.360 nan 0.000 0.410 409 L N 1.199 122.399 121.223 -0.040 0.000 2.334 409 L HA 0.355 4.695 4.340 -0.000 0.000 0.276 409 L C 0.412 177.246 176.870 -0.059 0.000 1.014 409 L CA -0.195 54.609 54.840 -0.061 0.000 0.815 409 L CB 1.806 43.844 42.059 -0.036 0.000 1.268 409 L HN 0.054 nan 8.230 nan 0.000 0.428 410 S N 1.064 116.719 115.700 -0.075 0.000 2.592 410 S HA 0.220 4.690 4.470 -0.000 0.000 0.271 410 S C 0.770 175.337 174.600 -0.056 0.000 1.326 410 S CA -0.735 57.429 58.200 -0.060 0.000 1.024 410 S CB 0.912 64.074 63.200 -0.063 0.000 0.921 410 S HN 0.551 nan 8.310 nan 0.000 0.527 411 E N 1.091 121.264 120.200 -0.045 0.000 2.401 411 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 411 E C 1.880 178.455 176.600 -0.042 0.000 1.023 411 E CA 1.071 57.447 56.400 -0.041 0.000 0.859 411 E CB -0.587 29.093 29.700 -0.034 0.000 0.780 411 E HN 0.794 nan 8.360 nan 0.000 0.523 412 A N 0.906 123.696 122.820 -0.049 0.000 1.935 412 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 412 A C 1.933 179.488 177.584 -0.050 0.000 1.178 412 A CA 0.514 52.520 52.037 -0.051 0.000 0.640 412 A CB -0.088 18.871 19.000 -0.069 0.000 0.825 412 A HN 0.105 nan 8.150 nan 0.000 0.447 413 E N 0.314 120.474 120.200 -0.067 0.000 2.338 413 E HA -0.077 4.272 4.350 -0.000 0.000 0.197 413 E C 0.187 176.747 176.600 -0.067 0.000 1.007 413 E CA 0.231 56.577 56.400 -0.091 0.000 0.849 413 E CB 0.015 29.597 29.700 -0.196 0.000 0.774 413 E HN 0.599 nan 8.360 nan 0.000 0.506 414 Q N 0.054 119.828 119.800 -0.043 0.000 2.394 414 Q HA 0.355 4.695 4.340 -0.000 0.000 0.248 414 Q C -0.386 175.597 176.000 -0.029 0.000 0.992 414 Q CA 0.041 55.831 55.803 -0.022 0.000 0.888 414 Q CB 1.400 30.117 28.738 -0.035 0.000 1.257 414 Q HN 0.020 nan 8.270 nan 0.000 0.462 415 A N 1.327 124.129 122.820 -0.029 0.000 2.342 415 A HA 0.682 5.001 4.320 -0.000 0.000 0.323 415 A C -0.090 177.446 177.584 -0.080 0.000 1.125 415 A CA -0.402 51.602 52.037 -0.056 0.000 0.785 415 A CB 1.235 20.197 19.000 -0.064 0.000 1.221 415 A HN 0.753 nan 8.150 nan 0.000 0.463 416 T N -0.513 113.996 114.554 -0.076 0.000 2.888 416 T HA 0.902 5.252 4.350 -0.000 0.000 0.288 416 T C -0.503 174.147 174.700 -0.083 0.000 1.063 416 T CA -0.828 61.231 62.100 -0.069 0.000 1.010 416 T CB 1.717 70.571 68.868 -0.024 0.000 1.214 416 T HN 1.014 nan 8.240 nan 0.000 0.533 417 R N -0.616 119.863 120.500 -0.034 0.000 2.664 417 R HA 0.603 4.942 4.340 -0.000 0.000 0.260 417 R C -1.788 174.697 176.300 0.309 0.000 1.062 417 R CA -0.259 55.848 56.100 0.011 0.000 0.902 417 R CB 1.730 31.872 30.300 -0.262 0.000 1.258 417 R HN 0.947 nan 8.270 nan 0.000 0.465 418 T N 3.976 118.747 114.554 0.362 0.000 2.876 418 T HA 0.694 5.043 4.350 -0.000 0.000 0.289 418 T C -0.532 174.312 174.700 0.241 0.000 1.014 418 T CA -0.739 61.536 62.100 0.291 0.000 0.986 418 T CB 1.177 70.107 68.868 0.104 0.000 1.021 418 T HN 0.620 nan 8.240 nan 0.000 0.458 419 M N 1.305 120.810 119.600 -0.159 0.000 2.691 419 M HA 0.742 5.222 4.480 -0.000 0.000 0.293 419 M C -1.373 174.807 176.300 -0.200 0.000 1.259 419 M CA -1.044 54.110 55.300 -0.244 0.000 0.827 419 M CB 2.364 34.556 32.600 -0.680 0.000 1.753 419 M HN 0.418 nan 8.290 nan 0.000 0.465 420 Q N 1.101 120.822 119.800 -0.132 0.000 2.290 420 Q HA 0.750 5.090 4.340 -0.000 0.000 0.269 420 Q C -1.900 174.054 176.000 -0.077 0.000 1.016 420 Q CA -0.478 55.270 55.803 -0.091 0.000 0.754 420 Q CB 2.329 31.048 28.738 -0.031 0.000 1.247 420 Q HN 0.918 nan 8.270 nan 0.000 0.451 421 A N 5.032 127.800 122.820 -0.086 0.000 2.276 421 A HA 0.641 4.961 4.320 -0.000 0.000 0.316 421 A C -0.850 176.872 177.584 0.230 0.000 1.229 421 A CA -0.579 51.450 52.037 -0.013 0.000 0.851 421 A CB 0.497 19.381 19.000 -0.193 0.000 1.165 421 A HN 0.770 nan 8.150 nan 0.000 0.513 422 L N 3.014 124.471 121.223 0.389 0.000 2.343 422 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 422 L C -2.321 174.641 176.870 0.154 0.000 1.056 422 L CA -2.193 52.863 54.840 0.361 0.000 0.804 422 L CB 1.390 43.654 42.059 0.340 0.000 1.203 422 L HN 0.400 nan 8.230 nan 0.000 0.440 423 P HA -0.042 nan 4.420 nan 0.000 0.272 423 P C -0.947 176.150 177.300 -0.339 0.000 1.223 423 P CA -0.168 62.531 63.100 -0.670 0.000 0.784 423 P CB 0.262 31.666 31.700 -0.493 0.000 0.923 424 Y N 2.156 122.183 120.300 -0.455 0.000 2.605 424 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 424 Y C 0.672 176.545 175.900 -0.045 0.000 1.111 424 Y CA -0.012 57.956 58.100 -0.220 0.000 1.422 424 Y CB -0.004 38.382 38.460 -0.123 0.000 1.193 424 Y HN 0.162 nan 8.280 nan 0.000 0.526 425 S N 6.319 121.737 115.700 -0.469 0.000 2.416 425 S HA 0.213 4.683 4.470 -0.000 0.000 0.302 425 S C 0.310 174.600 174.600 -0.516 0.000 1.120 425 S CA -0.301 57.671 58.200 -0.379 0.000 1.067 425 S CB -0.823 62.214 63.200 -0.272 0.000 1.057 425 S HN 0.892 nan 8.310 nan 0.000 0.518 426 T N 2.031 116.346 114.554 -0.399 0.000 2.689 426 T HA 0.372 4.722 4.350 -0.000 0.000 0.308 426 T C 0.397 174.931 174.700 -0.276 0.000 1.021 426 T CA -0.717 61.148 62.100 -0.390 0.000 0.973 426 T CB 0.252 68.912 68.868 -0.346 0.000 1.113 426 T HN 0.307 nan 8.240 nan 0.000 0.522 427 V N 1.335 121.097 119.914 -0.252 0.000 2.461 427 V HA 0.508 4.628 4.120 -0.000 0.000 0.275 427 V C 1.581 177.565 176.094 -0.183 0.000 1.047 427 V CA 0.593 62.758 62.300 -0.226 0.000 0.955 427 V CB 0.035 31.692 31.823 -0.275 0.000 0.988 427 V HN 1.366 nan 8.190 nan 0.000 0.471 428 G N 5.006 113.717 108.800 -0.148 0.000 2.233 428 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.270 428 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.270 428 G C 0.517 175.348 174.900 -0.115 0.000 1.011 428 G CA 0.518 45.548 45.100 -0.118 0.000 0.762 428 G HN 0.964 nan 8.290 nan 0.000 0.511 429 N N -1.554 117.066 118.700 -0.133 0.000 2.735 429 N HA -0.253 4.487 4.740 -0.000 0.000 0.248 429 N C 1.575 177.005 175.510 -0.132 0.000 1.083 429 N CA 1.468 54.443 53.050 -0.124 0.000 0.703 429 N CB -1.410 37.026 38.487 -0.084 0.000 1.005 429 N HN 1.290 nan 8.380 nan 0.000 0.550 430 S N -0.552 115.047 115.700 -0.170 0.000 2.453 430 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 430 S C 0.988 175.469 174.600 -0.198 0.000 1.005 430 S CA 0.957 59.055 58.200 -0.170 0.000 0.949 430 S CB 0.233 63.320 63.200 -0.189 0.000 0.774 430 S HN 0.410 nan 8.310 nan 0.000 0.510 431 N N 0.788 119.304 118.700 -0.306 0.000 2.901 431 N HA -0.110 4.630 4.740 -0.000 0.000 0.248 431 N C -1.643 173.503 175.510 -0.607 0.000 1.044 431 N CA 0.861 53.656 53.050 -0.426 0.000 0.847 431 N CB -2.167 36.238 38.487 -0.137 0.000 1.127 431 N HN 0.492 nan 8.380 nan 0.000 0.562 432 N N 0.848 119.232 118.700 -0.527 0.000 2.444 432 N HA 0.366 5.106 4.740 -0.000 0.000 0.271 432 N C -0.448 174.874 175.510 -0.314 0.000 1.069 432 N CA 0.273 53.148 53.050 -0.293 0.000 0.965 432 N CB 0.355 38.793 38.487 -0.082 0.000 1.092 432 N HN 0.157 nan 8.380 nan 0.000 0.476 433 Y N 0.387 120.831 120.300 0.239 0.000 2.605 433 Y HA 0.615 5.165 4.550 -0.000 0.000 0.343 433 Y C -0.459 175.616 175.900 0.293 0.000 1.036 433 Y CA -1.196 57.050 58.100 0.243 0.000 1.065 433 Y CB 1.445 40.002 38.460 0.161 0.000 1.288 433 Y HN 0.267 nan 8.280 nan 0.000 0.481 434 L N 1.856 123.300 121.223 0.368 0.000 2.436 434 L HA 0.575 4.915 4.340 -0.000 0.000 0.268 434 L C -1.806 175.165 176.870 0.168 0.000 0.974 434 L CA -0.510 54.518 54.840 0.314 0.000 0.826 434 L CB 1.477 43.739 42.059 0.338 0.000 1.291 434 L HN 0.763 nan 8.230 nan 0.000 0.406 435 H N 4.474 123.559 119.070 0.026 0.000 2.538 435 H HA 0.664 5.219 4.556 -0.000 0.000 0.353 435 H C -1.584 173.660 175.328 -0.140 0.000 1.109 435 H CA -0.580 55.437 56.048 -0.052 0.000 1.192 435 H CB 1.546 31.302 29.762 -0.009 0.000 1.555 435 H HN 0.676 nan 8.280 nan 0.000 0.518 436 L N 4.747 125.553 121.223 -0.696 0.000 2.313 436 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 436 L C -0.262 176.100 176.870 -0.846 0.000 1.028 436 L CA -0.699 53.708 54.840 -0.722 0.000 0.871 436 L CB 1.003 42.718 42.059 -0.574 0.000 1.242 436 L HN 0.640 nan 8.230 nan 0.000 0.434 437 S N 2.104 117.368 115.700 -0.726 0.000 2.416 437 S HA 0.534 5.003 4.470 -0.000 0.000 0.287 437 S C -0.255 174.209 174.600 -0.227 0.000 1.139 437 S CA -0.703 57.260 58.200 -0.395 0.000 1.058 437 S CB 1.612 64.731 63.200 -0.135 0.000 0.967 437 S HN 0.218 nan 8.310 nan 0.000 0.495 438 V N 4.940 124.748 119.914 -0.175 0.000 2.448 438 V HA 0.325 4.444 4.120 -0.000 0.000 0.295 438 V C -0.071 175.975 176.094 -0.081 0.000 1.025 438 V CA -1.184 61.044 62.300 -0.120 0.000 0.859 438 V CB 1.417 33.171 31.823 -0.115 0.000 0.988 438 V HN 0.943 nan 8.190 nan 0.000 0.431 439 L N 4.671 125.859 121.223 -0.058 0.000 2.601 439 L HA 0.319 4.659 4.340 -0.000 0.000 0.277 439 L C 0.200 177.041 176.870 -0.048 0.000 1.219 439 L CA 0.722 55.535 54.840 -0.045 0.000 0.915 439 L CB -0.390 41.650 42.059 -0.032 0.000 1.160 439 L HN 0.512 nan 8.230 nan 0.000 0.494 440 R N 3.394 123.863 120.500 -0.052 0.000 2.320 440 R HA 0.588 4.928 4.340 -0.000 0.000 0.319 440 R C -0.272 176.000 176.300 -0.047 0.000 0.969 440 R CA -0.054 56.011 56.100 -0.060 0.000 0.857 440 R CB 1.385 31.636 30.300 -0.083 0.000 1.160 440 R HN 1.001 nan 8.270 nan 0.000 0.491 441 T N -1.934 112.597 114.554 -0.038 0.000 2.604 441 T HA 0.303 4.653 4.350 -0.000 0.000 0.267 441 T C -0.187 174.497 174.700 -0.027 0.000 0.923 441 T CA -1.026 61.058 62.100 -0.027 0.000 1.077 441 T CB 0.967 69.824 68.868 -0.019 0.000 1.392 441 T HN 0.263 nan 8.240 nan 0.000 0.531 442 E N 1.478 121.666 120.200 -0.020 0.000 2.003 442 E HA 0.269 4.619 4.350 -0.000 0.000 0.279 442 E C -0.399 176.192 176.600 -0.015 0.000 1.132 442 E CA -0.182 56.206 56.400 -0.020 0.000 0.888 442 E CB 0.310 29.997 29.700 -0.021 0.000 1.056 442 E HN 0.342 nan 8.360 nan 0.000 0.399 443 L N 3.849 125.067 121.223 -0.007 0.000 2.426 443 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 443 L C 0.581 177.447 176.870 -0.005 0.000 1.169 443 L CA 0.390 55.230 54.840 -0.001 0.000 0.836 443 L CB 0.306 42.387 42.059 0.037 0.000 1.112 443 L HN 0.353 nan 8.230 nan 0.000 0.465 444 R N 2.859 123.346 120.500 -0.022 0.000 2.673 444 R HA 0.419 4.759 4.340 -0.000 0.000 0.281 444 R C -2.664 173.615 176.300 -0.037 0.000 0.991 444 R CA -2.111 53.977 56.100 -0.020 0.000 0.896 444 R CB 1.533 31.823 30.300 -0.016 0.000 1.201 444 R HN 0.308 nan 8.270 nan 0.000 0.457 445 P HA 0.014 nan 4.420 nan 0.000 0.264 445 P C 0.650 177.932 177.300 -0.030 0.000 1.193 445 P CA 0.930 64.014 63.100 -0.027 0.000 0.763 445 P CB 0.787 32.502 31.700 0.024 0.000 0.810 446 G N 2.229 110.998 108.800 -0.052 0.000 2.475 446 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.209 446 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.209 446 G C 0.106 174.974 174.900 -0.054 0.000 1.127 446 G CA -0.431 44.646 45.100 -0.039 0.000 0.681 446 G HN 0.537 nan 8.290 nan 0.000 0.517 447 E N 1.187 121.352 120.200 -0.058 0.000 2.436 447 E HA 0.386 4.736 4.350 -0.000 0.000 0.262 447 E C -0.245 176.304 176.600 -0.085 0.000 1.063 447 E CA 0.887 57.252 56.400 -0.058 0.000 0.944 447 E CB 0.692 30.362 29.700 -0.050 0.000 0.950 447 E HN 0.153 nan 8.360 nan 0.000 0.444 448 T N 2.561 117.074 114.554 -0.068 0.000 2.770 448 T HA 0.366 4.716 4.350 -0.000 0.000 0.283 448 T C -1.098 173.562 174.700 -0.067 0.000 0.988 448 T CA -0.753 61.300 62.100 -0.078 0.000 0.957 448 T CB 0.382 69.217 68.868 -0.055 0.000 0.930 448 T HN 0.209 nan 8.240 nan 0.000 0.443 449 L N 5.970 127.143 121.223 -0.084 0.000 2.295 449 L HA 0.613 4.952 4.340 -0.000 0.000 0.285 449 L C -0.431 176.417 176.870 -0.036 0.000 1.035 449 L CA -0.365 54.446 54.840 -0.049 0.000 0.806 449 L CB 1.102 43.145 42.059 -0.028 0.000 1.214 449 L HN 0.493 nan 8.230 nan 0.000 0.426 450 N N 3.940 122.627 118.700 -0.022 0.000 2.419 450 N HA 0.323 5.063 4.740 -0.000 0.000 0.264 450 N C -1.141 174.358 175.510 -0.018 0.000 1.031 450 N CA -0.264 52.780 53.050 -0.010 0.000 0.951 450 N CB 1.798 40.282 38.487 -0.005 0.000 1.101 450 N HN 0.413 nan 8.380 nan 0.000 0.488 451 V N 2.783 122.699 119.914 0.003 0.000 2.277 451 V HA 0.215 4.335 4.120 -0.000 0.000 0.269 451 V C 0.198 176.266 176.094 -0.044 0.000 1.036 451 V CA -1.041 61.214 62.300 -0.075 0.000 0.821 451 V CB 0.170 31.932 31.823 -0.102 0.000 1.052 451 V HN 0.442 nan 8.190 nan 0.000 0.462 452 N N 3.894 122.529 118.700 -0.108 0.000 2.438 452 N HA 0.230 4.970 4.740 -0.000 0.000 0.267 452 N C -0.721 174.680 175.510 -0.182 0.000 1.222 452 N CA 0.348 53.367 53.050 -0.053 0.000 0.930 452 N CB 0.202 38.653 38.487 -0.060 0.000 1.083 452 N HN 0.522 nan 8.380 nan 0.000 0.476 453 F N 2.714 122.582 119.950 -0.137 0.000 2.313 453 F HA 0.250 4.777 4.527 -0.001 0.000 0.369 453 F C 0.173 175.905 175.800 -0.114 0.000 1.109 453 F CA -0.911 56.945 58.000 -0.239 0.000 1.132 453 F CB 0.717 39.470 39.000 -0.412 0.000 1.291 453 F HN 0.173 nan 8.300 nan 0.000 0.496 454 L N 5.937 127.190 121.223 0.051 0.000 2.280 454 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 454 L C -1.139 175.860 176.870 0.215 0.000 1.023 454 L CA -1.036 53.889 54.840 0.143 0.000 0.819 454 L CB 1.009 43.159 42.059 0.151 0.000 1.212 454 L HN 0.418 nan 8.230 nan 0.000 0.420 455 L N 5.699 127.064 121.223 0.238 0.000 2.265 455 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 455 L C -0.423 176.569 176.870 0.202 0.000 1.058 455 L CA -0.144 54.850 54.840 0.258 0.000 0.809 455 L CB 0.781 42.965 42.059 0.208 0.000 1.179 455 L HN 0.702 nan 8.230 nan 0.000 0.429 456 R N 6.773 127.421 120.500 0.246 0.000 2.335 456 R HA 0.739 5.079 4.340 -0.000 0.000 0.302 456 R C -1.451 174.954 176.300 0.176 0.000 1.147 456 R CA -0.354 55.884 56.100 0.229 0.000 1.111 456 R CB 0.163 30.662 30.300 0.330 0.000 1.122 456 R HN 0.814 nan 8.270 nan 0.000 0.557 457 M N 0.292 119.956 119.600 0.108 0.000 2.605 457 M HA 0.372 4.852 4.480 -0.000 0.000 0.281 457 M C -1.521 174.814 176.300 0.057 0.000 1.166 457 M CA -1.055 54.281 55.300 0.059 0.000 0.875 457 M CB 1.722 34.344 32.600 0.037 0.000 1.732 457 M HN 0.272 nan 8.290 nan 0.000 0.504 458 D N 2.171 122.605 120.400 0.057 0.000 2.487 458 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 458 D C 0.843 177.184 176.300 0.069 0.000 1.154 458 D CA -0.053 53.986 54.000 0.064 0.000 0.876 458 D CB 0.815 41.659 40.800 0.073 0.000 1.161 458 D HN 0.901 nan 8.370 nan 0.000 0.478 459 R N 2.219 122.739 120.500 0.033 0.000 2.276 459 R HA -0.214 4.125 4.340 -0.000 0.000 0.243 459 R C 1.804 178.092 176.300 -0.019 0.000 1.161 459 R CA 1.288 57.393 56.100 0.009 0.000 1.007 459 R CB -0.696 29.603 30.300 -0.002 0.000 0.867 459 R HN 0.453 nan 8.270 nan 0.000 0.472 460 A N 1.921 124.723 122.820 -0.029 0.000 1.894 460 A HA -0.255 4.064 4.320 -0.000 0.000 0.220 460 A C 1.163 178.547 177.584 -0.334 0.000 1.237 460 A CA 2.094 54.012 52.037 -0.199 0.000 0.660 460 A CB -0.756 18.103 19.000 -0.236 0.000 0.835 460 A HN 0.741 nan 8.150 nan 0.000 0.461 461 H N -1.750 117.290 119.070 -0.051 0.000 2.592 461 H HA 0.326 4.882 4.556 -0.000 0.000 0.279 461 H C 1.341 176.613 175.328 -0.093 0.000 1.089 461 H CA 0.373 56.381 56.048 -0.068 0.000 1.150 461 H CB 0.066 29.788 29.762 -0.067 0.000 1.575 461 H HN 0.778 nan 8.280 nan 0.000 0.547 462 E N 1.718 121.928 120.200 0.015 0.000 2.085 462 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 462 E C 2.152 178.710 176.600 -0.070 0.000 0.994 462 E CA 1.285 57.661 56.400 -0.040 0.000 0.801 462 E CB 0.001 29.688 29.700 -0.022 0.000 0.743 462 E HN 0.466 nan 8.360 nan 0.000 0.453 463 A N 0.786 123.572 122.820 -0.057 0.000 2.067 463 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 463 A C 1.956 179.496 177.584 -0.073 0.000 1.158 463 A CA 1.321 53.322 52.037 -0.059 0.000 0.661 463 A CB -0.284 18.686 19.000 -0.049 0.000 0.801 463 A HN 0.171 nan 8.150 nan 0.000 0.452 464 K N -0.378 119.978 120.400 -0.073 0.000 1.984 464 K HA -0.018 4.302 4.320 -0.000 0.000 0.209 464 K C 0.161 176.672 176.600 -0.148 0.000 1.046 464 K CA 0.528 56.768 56.287 -0.080 0.000 0.934 464 K CB -0.361 32.115 32.500 -0.040 0.000 0.717 464 K HN 0.311 nan 8.250 nan 0.000 0.438 465 I N 2.835 123.272 120.570 -0.222 0.000 2.978 465 I HA -0.157 4.013 4.170 -0.000 0.000 0.293 465 I C 1.194 177.111 176.117 -0.333 0.000 1.218 465 I CA 0.930 62.002 61.300 -0.380 0.000 1.393 465 I CB 0.083 37.766 38.000 -0.528 0.000 1.394 465 I HN 0.182 nan 8.210 nan 0.000 0.541 466 R N 5.808 126.099 120.500 -0.350 0.000 2.279 466 R HA 0.164 4.504 4.340 -0.000 0.000 0.195 466 R C -0.467 175.775 176.300 -0.096 0.000 0.905 466 R CA 0.331 56.339 56.100 -0.153 0.000 1.044 466 R CB 0.063 30.379 30.300 0.027 0.000 1.056 466 R HN 0.682 nan 8.270 nan 0.000 0.535 467 Y N -2.951 117.199 120.300 -0.250 0.000 2.558 467 Y HA 0.559 5.108 4.550 -0.000 0.000 0.333 467 Y C -1.514 174.209 175.900 -0.295 0.000 1.125 467 Y CA -2.250 55.722 58.100 -0.214 0.000 1.039 467 Y CB 0.268 38.689 38.460 -0.065 0.000 1.331 467 Y HN -0.217 nan 8.280 nan 0.000 0.456 468 Y N 1.065 121.484 120.300 0.199 0.000 2.330 468 Y HA 0.604 5.154 4.550 -0.000 0.000 0.336 468 Y C 0.108 176.199 175.900 0.319 0.000 1.036 468 Y CA -0.753 57.477 58.100 0.217 0.000 1.125 468 Y CB 2.256 40.787 38.460 0.118 0.000 1.194 468 Y HN 0.705 nan 8.280 nan 0.000 0.469 469 T N 4.970 119.794 114.554 0.451 0.000 2.756 469 T HA 0.350 4.700 4.350 -0.000 0.000 0.290 469 T C -1.034 173.989 174.700 0.539 0.000 0.985 469 T CA -0.536 61.805 62.100 0.401 0.000 0.955 469 T CB -0.365 68.709 68.868 0.344 0.000 0.930 469 T HN 0.460 nan 8.240 nan 0.000 0.451 470 Y N 2.651 123.189 120.300 0.396 0.000 2.487 470 Y HA 0.885 5.435 4.550 -0.000 0.000 0.337 470 Y C -1.550 174.528 175.900 0.297 0.000 1.076 470 Y CA -1.804 56.520 58.100 0.373 0.000 1.115 470 Y CB 0.827 39.520 38.460 0.389 0.000 1.235 470 Y HN 0.345 nan 8.280 nan 0.000 0.468 471 L N 3.601 125.077 121.223 0.422 0.000 2.415 471 L HA 0.549 4.889 4.340 -0.000 0.000 0.256 471 L C -1.137 175.912 176.870 0.298 0.000 1.010 471 L CA -0.842 54.162 54.840 0.273 0.000 0.826 471 L CB 2.462 44.636 42.059 0.192 0.000 1.405 471 L HN 0.610 nan 8.230 nan 0.000 0.410 472 I N 2.223 122.926 120.570 0.222 0.000 2.411 472 I HA 0.398 4.568 4.170 -0.000 0.000 0.284 472 I C -0.644 175.539 176.117 0.111 0.000 1.012 472 I CA -0.466 60.959 61.300 0.210 0.000 1.119 472 I CB 1.625 39.715 38.000 0.150 0.000 1.261 472 I HN 0.473 nan 8.210 nan 0.000 0.448 473 M N 5.255 124.924 119.600 0.116 0.000 2.274 473 M HA 0.374 4.854 4.480 -0.000 0.000 0.344 473 M C -0.040 176.289 176.300 0.048 0.000 1.161 473 M CA 0.103 55.432 55.300 0.049 0.000 1.126 473 M CB 0.802 33.410 32.600 0.014 0.000 1.522 473 M HN 0.603 nan 8.290 nan 0.000 0.461 474 N N 0.923 119.625 118.700 0.003 0.000 2.635 474 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 474 N C -1.089 174.429 175.510 0.014 0.000 1.078 474 N CA -0.284 52.767 53.050 0.001 0.000 1.012 474 N CB 1.296 39.757 38.487 -0.044 0.000 1.677 474 N HN 0.618 nan 8.380 nan 0.000 0.514 475 K N 1.891 122.316 120.400 0.042 0.000 3.003 475 K HA -0.230 4.089 4.320 -0.000 0.000 0.257 475 K C 0.624 177.280 176.600 0.093 0.000 0.958 475 K CA 1.052 57.407 56.287 0.114 0.000 0.707 475 K CB -1.513 31.095 32.500 0.179 0.000 1.279 475 K HN 0.964 nan 8.250 nan 0.000 0.479 476 G N 0.275 109.094 108.800 0.031 0.000 2.249 476 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.273 476 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.273 476 G C -0.064 174.829 174.900 -0.012 0.000 1.036 476 G CA 0.990 46.094 45.100 0.007 0.000 0.824 476 G HN 0.695 nan 8.290 nan 0.000 0.504 477 R N -1.682 118.812 120.500 -0.010 0.000 2.817 477 R HA 0.785 5.125 4.340 -0.000 0.000 0.268 477 R C -0.408 175.876 176.300 -0.027 0.000 1.027 477 R CA -1.366 54.716 56.100 -0.030 0.000 0.928 477 R CB 1.009 31.288 30.300 -0.035 0.000 1.228 477 R HN 0.083 nan 8.270 nan 0.000 0.469 478 L N 2.524 123.726 121.223 -0.035 0.000 2.361 478 L HA 0.174 4.513 4.340 -0.000 0.000 0.278 478 L C 0.647 177.487 176.870 -0.050 0.000 1.113 478 L CA -0.302 54.523 54.840 -0.024 0.000 0.849 478 L CB 1.238 43.289 42.059 -0.014 0.000 1.155 478 L HN 0.679 nan 8.230 nan 0.000 0.452 479 L N 3.785 124.969 121.223 -0.066 0.000 2.515 479 L HA 0.323 4.663 4.340 -0.000 0.000 0.223 479 L C 0.267 177.072 176.870 -0.108 0.000 1.079 479 L CA 0.878 55.638 54.840 -0.133 0.000 0.857 479 L CB 0.161 42.060 42.059 -0.268 0.000 1.050 479 L HN 0.568 nan 8.230 nan 0.000 0.476 480 K N -0.516 119.863 120.400 -0.035 0.000 2.598 480 K HA 0.658 4.978 4.320 -0.000 0.000 0.271 480 K C -2.022 174.601 176.600 0.038 0.000 0.947 480 K CA -0.122 56.175 56.287 0.017 0.000 0.854 480 K CB 1.720 34.266 32.500 0.076 0.000 1.401 480 K HN -0.063 nan 8.250 nan 0.000 0.415 481 A N 1.825 124.625 122.820 -0.034 0.000 2.414 481 A HA 0.755 5.075 4.320 -0.000 0.000 0.286 481 A C -0.754 176.630 177.584 -0.333 0.000 1.073 481 A CA -0.047 51.912 52.037 -0.130 0.000 0.727 481 A CB 1.458 20.451 19.000 -0.012 0.000 1.215 481 A HN 0.764 nan 8.150 nan 0.000 0.430 482 G N 1.062 109.292 108.800 -0.949 0.000 3.022 482 G HA2 0.714 4.674 3.960 -0.000 0.000 0.284 482 G HA3 0.714 4.674 3.960 -0.000 0.000 0.284 482 G C -1.148 173.332 174.900 -0.700 0.000 1.375 482 G CA -0.722 43.849 45.100 -0.882 0.000 0.902 482 G HN 0.563 nan 8.290 nan 0.000 0.538 483 R N -0.066 120.351 120.500 -0.138 0.000 2.637 483 R HA 0.488 4.827 4.340 -0.000 0.000 0.291 483 R C -1.250 175.221 176.300 0.286 0.000 0.963 483 R CA -0.785 55.384 56.100 0.115 0.000 0.901 483 R CB 2.010 32.309 30.300 -0.001 0.000 1.160 483 R HN 0.538 nan 8.270 nan 0.000 0.457 484 Q N 2.209 122.171 119.800 0.270 0.000 2.357 484 Q HA 0.275 4.615 4.340 -0.000 0.000 0.266 484 Q C -0.651 175.403 176.000 0.089 0.000 1.021 484 Q CA -0.698 55.151 55.803 0.076 0.000 0.784 484 Q CB 1.469 30.019 28.738 -0.312 0.000 1.243 484 Q HN 0.485 nan 8.270 nan 0.000 0.465 485 V N 2.007 121.958 119.914 0.062 0.000 2.924 485 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 485 V C -0.126 175.990 176.094 0.037 0.000 1.073 485 V CA -0.606 61.732 62.300 0.064 0.000 1.098 485 V CB 1.244 33.092 31.823 0.042 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.499 122.006 120.500 0.012 0.000 2.771 486 R HA 0.570 4.909 4.340 -0.000 0.000 0.274 486 R C -1.346 174.943 176.300 -0.019 0.000 0.987 486 R CA -0.663 55.432 56.100 -0.008 0.000 0.908 486 R CB 2.194 32.450 30.300 -0.073 0.000 1.213 486 R HN 0.893 nan 8.270 nan 0.000 0.468 487 E N 2.775 122.971 120.200 -0.007 0.000 2.238 487 E HA 0.382 4.732 4.350 -0.000 0.000 0.267 487 E C -2.503 174.087 176.600 -0.016 0.000 0.887 487 E CA -2.336 54.057 56.400 -0.011 0.000 0.769 487 E CB 1.920 31.621 29.700 0.002 0.000 1.187 487 E HN 0.437 nan 8.360 nan 0.000 0.416 488 P HA -0.002 nan 4.420 nan 0.000 0.266 488 P C 0.848 178.142 177.300 -0.011 0.000 1.186 488 P CA 1.187 64.270 63.100 -0.027 0.000 0.767 488 P CB 0.453 32.136 31.700 -0.028 0.000 0.820 489 G N 0.838 109.633 108.800 -0.008 0.000 2.284 489 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.247 489 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.247 489 G C 0.200 175.112 174.900 0.019 0.000 1.012 489 G CA -0.192 44.911 45.100 0.005 0.000 0.618 489 G HN 0.593 nan 8.290 nan 0.000 0.521 490 Q N 0.366 120.179 119.800 0.022 0.000 2.304 490 Q HA 0.452 4.792 4.340 -0.000 0.000 0.260 490 Q C 0.368 176.408 176.000 0.066 0.000 0.965 490 Q CA 0.051 55.882 55.803 0.046 0.000 0.898 490 Q CB 0.838 29.606 28.738 0.051 0.000 1.196 490 Q HN 0.291 nan 8.270 nan 0.000 0.402 491 D N 1.090 121.542 120.400 0.086 0.000 2.455 491 D HA 0.093 4.733 4.640 -0.000 0.000 0.228 491 D C -0.816 175.573 176.300 0.149 0.000 1.070 491 D CA 0.172 54.242 54.000 0.117 0.000 0.881 491 D CB 0.618 41.478 40.800 0.100 0.000 1.087 491 D HN 0.219 nan 8.370 nan 0.000 0.498 492 L N 1.693 122.990 121.223 0.123 0.000 2.313 492 L HA 0.483 4.823 4.340 -0.000 0.000 0.283 492 L C -0.926 176.023 176.870 0.131 0.000 1.013 492 L CA -0.939 53.978 54.840 0.128 0.000 0.816 492 L CB 1.557 43.672 42.059 0.094 0.000 1.236 492 L HN -0.139 nan 8.230 nan 0.000 0.419 493 V N 3.106 123.121 119.914 0.168 0.000 2.709 493 V HA 0.752 4.871 4.120 -0.000 0.000 0.308 493 V C -0.717 175.475 176.094 0.162 0.000 1.062 493 V CA -0.814 61.563 62.300 0.128 0.000 0.901 493 V CB 1.650 33.532 31.823 0.100 0.000 1.003 493 V HN 0.397 nan 8.190 nan 0.000 0.425 494 V N 4.975 124.952 119.914 0.105 0.000 2.435 494 V HA 0.520 4.640 4.120 -0.000 0.000 0.290 494 V C -0.318 175.828 176.094 0.086 0.000 1.030 494 V CA -0.501 61.872 62.300 0.121 0.000 0.881 494 V CB 1.478 33.342 31.823 0.069 0.000 0.983 494 V HN 0.825 nan 8.190 nan 0.000 0.445 495 L N 8.548 129.858 121.223 0.145 0.000 2.265 495 L HA 0.632 4.972 4.340 -0.000 0.000 0.289 495 L C -2.497 174.383 176.870 0.017 0.000 1.033 495 L CA -2.242 52.637 54.840 0.065 0.000 0.814 495 L CB 1.424 43.592 42.059 0.182 0.000 1.203 495 L HN 0.389 nan 8.230 nan 0.000 0.423 496 P HA 0.148 nan 4.420 nan 0.000 0.273 496 P C -0.960 176.313 177.300 -0.045 0.000 1.319 496 P CA -0.281 62.807 63.100 -0.021 0.000 0.885 496 P CB 0.481 32.175 31.700 -0.009 0.000 1.015 497 L N 4.498 125.679 121.223 -0.071 0.000 2.272 497 L HA 0.272 4.611 4.340 -0.000 0.000 0.284 497 L C 0.256 177.026 176.870 -0.167 0.000 1.045 497 L CA -0.335 54.433 54.840 -0.121 0.000 0.842 497 L CB -0.042 41.926 42.059 -0.151 0.000 1.224 497 L HN 0.256 nan 8.230 nan 0.000 0.430 498 S N 5.291 120.915 115.700 -0.127 0.000 2.568 498 S HA 0.438 4.908 4.470 -0.000 0.000 0.282 498 S C 0.047 174.440 174.600 -0.345 0.000 1.338 498 S CA -0.562 57.552 58.200 -0.144 0.000 1.045 498 S CB 0.978 64.150 63.200 -0.046 0.000 0.873 498 S HN 0.428 nan 8.310 nan 0.000 0.516 499 I N 3.402 123.746 120.570 -0.377 0.000 2.464 499 I HA 0.235 4.405 4.170 -0.000 0.000 0.277 499 I C 0.738 176.682 176.117 -0.289 0.000 1.040 499 I CA -0.170 60.705 61.300 -0.708 0.000 1.153 499 I CB 0.661 38.338 38.000 -0.539 0.000 1.274 499 I HN 0.952 nan 8.210 nan 0.000 0.469 500 T N 0.504 115.064 114.554 0.011 0.000 2.862 500 T HA 0.247 4.596 4.350 -0.000 0.000 0.276 500 T C 1.507 176.376 174.700 0.282 0.000 0.974 500 T CA -0.227 61.989 62.100 0.194 0.000 0.966 500 T CB 1.124 70.124 68.868 0.219 0.000 1.072 500 T HN 0.619 nan 8.240 nan 0.000 0.538 501 T N -1.447 113.204 114.554 0.161 0.000 2.946 501 T HA -0.113 4.237 4.350 -0.000 0.000 0.271 501 T C 0.845 175.628 174.700 0.139 0.000 1.104 501 T CA 1.239 63.419 62.100 0.133 0.000 1.114 501 T CB -0.756 68.170 68.868 0.097 0.000 0.867 501 T HN 0.646 nan 8.240 nan 0.000 0.513 502 D N 0.338 120.817 120.400 0.133 0.000 2.392 502 D HA 0.106 4.745 4.640 -0.000 0.000 0.228 502 D C 0.919 177.145 176.300 -0.122 0.000 1.003 502 D CA 0.368 54.360 54.000 -0.012 0.000 0.917 502 D CB -0.474 40.256 40.800 -0.116 0.000 0.890 502 D HN 0.517 nan 8.370 nan 0.000 0.532 503 F N 0.292 120.224 119.950 -0.031 0.000 2.619 503 F HA 0.223 4.750 4.527 -0.001 0.000 0.293 503 F C 1.131 176.944 175.800 0.022 0.000 1.119 503 F CA -0.274 57.719 58.000 -0.011 0.000 1.445 503 F CB 0.154 39.105 39.000 -0.083 0.000 1.119 503 F HN -0.174 nan 8.300 nan 0.000 0.573 504 I N 2.944 123.568 120.570 0.090 0.000 2.752 504 I HA -0.037 4.133 4.170 -0.000 0.000 0.287 504 I C -1.521 174.399 176.117 -0.328 0.000 1.188 504 I CA -1.070 60.128 61.300 -0.170 0.000 1.427 504 I CB 0.236 38.069 38.000 -0.278 0.000 1.365 504 I HN -0.108 nan 8.210 nan 0.000 0.585 505 P HA 0.044 nan 4.420 nan 0.000 0.261 505 P C -0.414 176.794 177.300 -0.154 0.000 1.268 505 P CA 0.254 63.047 63.100 -0.513 0.000 0.833 505 P CB 0.394 31.707 31.700 -0.646 0.000 1.231 506 S N -0.168 115.509 115.700 -0.039 0.000 2.604 506 S HA 0.573 5.042 4.470 -0.000 0.000 0.296 506 S C -1.213 173.408 174.600 0.035 0.000 1.097 506 S CA -0.965 57.242 58.200 0.011 0.000 0.883 506 S CB -0.143 63.014 63.200 -0.072 0.000 1.081 506 S HN 0.034 nan 8.310 nan 0.000 0.448 507 F N 0.697 120.657 119.950 0.017 0.000 2.563 507 F HA 0.846 5.373 4.527 -0.001 0.000 0.316 507 F C -0.299 175.504 175.800 0.005 0.000 1.076 507 F CA -1.097 56.916 58.000 0.021 0.000 0.921 507 F CB 1.461 40.583 39.000 0.205 0.000 1.209 507 F HN 0.703 nan 8.300 nan 0.000 0.462 508 R N 2.266 122.818 120.500 0.088 0.000 2.474 508 R HA 0.669 5.009 4.340 -0.000 0.000 0.295 508 R C -1.759 174.675 176.300 0.223 0.000 0.980 508 R CA -1.181 54.942 56.100 0.038 0.000 0.934 508 R CB 2.084 32.361 30.300 -0.039 0.000 1.101 508 R HN 0.790 nan 8.270 nan 0.000 0.469 509 L N 3.967 125.289 121.223 0.164 0.000 2.343 509 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 509 L C -1.092 175.834 176.870 0.094 0.000 0.996 509 L CA -0.673 54.293 54.840 0.210 0.000 0.831 509 L CB 1.928 44.130 42.059 0.238 0.000 1.232 509 L HN 0.390 nan 8.230 nan 0.000 0.413 510 V N 2.834 122.811 119.914 0.106 0.000 2.407 510 V HA 0.996 5.116 4.120 -0.000 0.000 0.291 510 V C -0.028 176.159 176.094 0.154 0.000 1.018 510 V CA -0.434 61.871 62.300 0.009 0.000 0.842 510 V CB 0.900 32.613 31.823 -0.182 0.000 0.996 510 V HN 0.949 nan 8.190 nan 0.000 0.426 511 A N 5.386 128.308 122.820 0.171 0.000 2.337 511 A HA 0.986 5.306 4.320 -0.000 0.000 0.329 511 A C -0.892 176.932 177.584 0.400 0.000 1.146 511 A CA -0.730 51.539 52.037 0.387 0.000 0.800 511 A CB 1.387 20.635 19.000 0.413 0.000 1.220 511 A HN 1.888 nan 8.150 nan 0.000 0.472 512 Y N 0.266 120.769 120.300 0.338 0.000 2.544 512 Y HA 0.727 5.277 4.550 -0.000 0.000 0.342 512 Y C -1.156 174.963 175.900 0.364 0.000 1.062 512 Y CA -1.403 56.854 58.100 0.262 0.000 1.023 512 Y CB 1.051 39.712 38.460 0.336 0.000 1.308 512 Y HN 0.888 nan 8.280 nan 0.000 0.457 513 Y N -0.009 120.316 120.300 0.042 0.000 2.659 513 Y HA 0.908 5.458 4.550 -0.000 0.000 0.333 513 Y C -0.852 174.927 175.900 -0.203 0.000 1.064 513 Y CA -1.238 56.709 58.100 -0.254 0.000 1.141 513 Y CB 1.741 40.065 38.460 -0.227 0.000 1.316 513 Y HN 0.891 nan 8.280 nan 0.000 0.509 514 T N 2.496 117.019 114.554 -0.051 0.000 2.923 514 T HA 0.721 5.070 4.350 -0.000 0.000 0.311 514 T C -1.699 172.940 174.700 -0.102 0.000 1.183 514 T CA -0.566 61.490 62.100 -0.074 0.000 1.020 514 T CB 0.976 69.737 68.868 -0.179 0.000 1.165 514 T HN 1.260 nan 8.240 nan 0.000 0.482 515 L N 2.212 123.396 121.223 -0.065 0.000 2.838 515 L HA 0.861 5.201 4.340 -0.000 0.000 0.266 515 L C -1.851 174.977 176.870 -0.070 0.000 1.040 515 L CA -1.461 53.333 54.840 -0.077 0.000 0.906 515 L CB 1.587 43.603 42.059 -0.072 0.000 1.501 515 L HN 0.750 nan 8.230 nan 0.000 0.407 516 I N 0.022 120.561 120.570 -0.050 0.000 2.412 516 I HA 1.030 5.199 4.170 -0.000 0.000 0.296 516 I C 0.068 176.179 176.117 -0.010 0.000 0.987 516 I CA 0.417 61.694 61.300 -0.040 0.000 1.180 516 I CB 1.252 39.239 38.000 -0.021 0.000 1.340 516 I HN 0.929 nan 8.210 nan 0.000 0.455 517 G N 2.922 111.691 108.800 -0.052 0.000 2.489 517 G HA2 0.673 4.633 3.960 -0.000 0.000 0.305 517 G HA3 0.673 4.633 3.960 -0.000 0.000 0.305 517 G C -0.194 174.650 174.900 -0.094 0.000 1.311 517 G CA -0.134 44.925 45.100 -0.067 0.000 0.813 517 G HN 1.662 nan 8.290 nan 0.000 0.480 518 A N -0.600 122.196 122.820 -0.040 0.000 5.078 518 A HA -0.092 4.227 4.320 -0.000 0.000 0.342 518 A C 1.432 179.045 177.584 0.049 0.000 1.749 518 A CA 3.309 55.361 52.037 0.025 0.000 0.700 518 A CB -1.912 17.036 19.000 -0.086 0.000 1.446 518 A HN 2.592 nan 8.150 nan 0.000 0.395 519 S N -0.305 115.392 115.700 -0.005 0.000 2.150 519 S HA 0.573 5.042 4.470 -0.000 0.000 0.171 519 S C 0.960 175.551 174.600 -0.015 0.000 1.620 519 S CA 0.816 59.013 58.200 -0.004 0.000 1.190 519 S CB 0.182 63.374 63.200 -0.013 0.000 1.102 519 S HN 2.639 nan 8.310 nan 0.000 0.464 520 G N 1.706 110.502 108.800 -0.007 0.000 2.421 520 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.300 520 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.300 520 G C -0.220 174.661 174.900 -0.032 0.000 0.974 520 G CA 0.540 45.632 45.100 -0.015 0.000 1.062 520 G HN 0.826 nan 8.290 nan 0.000 0.514 521 Q N -1.249 118.521 119.800 -0.049 0.000 2.322 521 Q HA 0.585 4.925 4.340 -0.000 0.000 0.265 521 Q C 0.345 176.295 176.000 -0.083 0.000 0.985 521 Q CA -1.177 54.584 55.803 -0.070 0.000 0.849 521 Q CB 0.861 29.545 28.738 -0.089 0.000 1.274 521 Q HN 0.301 nan 8.270 nan 0.000 0.449 522 R N 2.782 123.235 120.500 -0.079 0.000 2.296 522 R HA 0.175 4.514 4.340 -0.000 0.000 0.323 522 R C -1.016 175.209 176.300 -0.125 0.000 1.067 522 R CA 0.381 56.433 56.100 -0.081 0.000 0.946 522 R CB 0.374 30.643 30.300 -0.051 0.000 0.991 522 R HN 0.646 nan 8.270 nan 0.000 0.448 523 E N 2.567 122.690 120.200 -0.128 0.000 2.263 523 E HA 0.547 4.896 4.350 -0.000 0.000 0.264 523 E C -1.281 175.224 176.600 -0.159 0.000 0.923 523 E CA -1.153 55.142 56.400 -0.175 0.000 0.802 523 E CB 1.729 31.340 29.700 -0.147 0.000 1.228 523 E HN 0.374 nan 8.360 nan 0.000 0.417 524 V N 2.659 122.429 119.914 -0.239 0.000 2.488 524 V HA 0.344 4.463 4.120 -0.000 0.000 0.293 524 V C -0.625 175.417 176.094 -0.087 0.000 1.027 524 V CA -0.879 61.336 62.300 -0.143 0.000 0.862 524 V CB 1.354 33.085 31.823 -0.154 0.000 1.008 524 V HN 0.390 nan 8.190 nan 0.000 0.428 525 V N 3.234 123.012 119.914 -0.227 0.000 2.581 525 V HA 1.015 5.135 4.120 -0.000 0.000 0.303 525 V C 0.352 176.275 176.094 -0.284 0.000 1.041 525 V CA -0.021 62.122 62.300 -0.261 0.000 0.907 525 V CB 1.639 33.189 31.823 -0.456 0.000 0.994 525 V HN 1.176 nan 8.190 nan 0.000 0.442 526 A N 3.120 125.927 122.820 -0.021 0.000 2.568 526 A HA 0.901 5.221 4.320 -0.000 0.000 0.291 526 A C -1.796 175.703 177.584 -0.143 0.000 1.159 526 A CA -0.500 51.548 52.037 0.018 0.000 0.679 526 A CB 2.138 21.256 19.000 0.196 0.000 1.285 526 A HN 0.784 nan 8.150 nan 0.000 0.428 527 D N -0.953 119.377 120.400 -0.116 0.000 2.812 527 D HA 0.519 5.159 4.640 -0.000 0.000 0.210 527 D C -1.034 175.197 176.300 -0.115 0.000 1.260 527 D CA 0.380 54.289 54.000 -0.151 0.000 0.817 527 D CB 1.688 42.405 40.800 -0.137 0.000 1.694 527 D HN 0.834 nan 8.370 nan 0.000 0.530 528 S N 1.250 116.898 115.700 -0.087 0.000 2.482 528 S HA 0.793 5.263 4.470 -0.000 0.000 0.303 528 S C -1.004 173.590 174.600 -0.010 0.000 1.091 528 S CA -0.821 57.347 58.200 -0.054 0.000 1.057 528 S CB 1.863 65.030 63.200 -0.055 0.000 1.031 528 S HN 0.560 nan 8.310 nan 0.000 0.485 529 V N 3.883 123.795 119.914 -0.004 0.000 2.638 529 V HA 0.721 4.840 4.120 -0.000 0.000 0.306 529 V C -1.823 174.298 176.094 0.046 0.000 1.052 529 V CA -0.556 61.748 62.300 0.006 0.000 0.885 529 V CB 1.667 33.453 31.823 -0.061 0.000 0.999 529 V HN 1.030 nan 8.190 nan 0.000 0.424 530 W N 6.991 128.199 121.300 -0.154 0.000 2.469 530 W HA 0.760 5.419 4.660 -0.001 0.000 0.320 530 W C -1.526 174.815 176.519 -0.297 0.000 1.086 530 W CA -1.254 55.960 57.345 -0.218 0.000 1.211 530 W CB 1.594 30.968 29.460 -0.145 0.000 1.298 530 W HN 0.414 nan 8.180 nan 0.000 0.525 531 V N 6.416 126.441 119.914 0.184 0.000 2.439 531 V HA 0.023 4.143 4.120 -0.000 0.000 0.277 531 V C -0.649 175.458 176.094 0.022 0.000 1.008 531 V CA -0.826 61.397 62.300 -0.128 0.000 0.846 531 V CB 1.025 32.530 31.823 -0.529 0.000 1.031 531 V HN 0.507 nan 8.190 nan 0.000 0.441 532 D N 4.011 124.486 120.400 0.125 0.000 2.342 532 D HA 0.299 4.939 4.640 -0.000 0.000 0.260 532 D C 0.113 176.439 176.300 0.044 0.000 1.278 532 D CA 0.224 54.339 54.000 0.191 0.000 0.910 532 D CB 1.098 41.969 40.800 0.118 0.000 1.079 532 D HN 0.282 nan 8.370 nan 0.000 0.496 533 V N 3.362 123.310 119.914 0.056 0.000 3.083 533 V HA 0.146 4.265 4.120 -0.000 0.000 0.306 533 V C 0.599 176.678 176.094 -0.025 0.000 1.077 533 V CA -0.823 61.500 62.300 0.038 0.000 1.073 533 V CB 1.177 33.063 31.823 0.104 0.000 1.081 533 V HN 0.490 nan 8.190 nan 0.000 0.474 534 K N 2.067 122.451 120.400 -0.027 0.000 2.419 534 K HA 0.030 4.350 4.320 -0.000 0.000 0.282 534 K C -0.659 175.889 176.600 -0.087 0.000 1.056 534 K CA 0.327 56.590 56.287 -0.041 0.000 1.035 534 K CB -0.612 31.875 32.500 -0.022 0.000 0.921 534 K HN 0.611 nan 8.250 nan 0.000 0.472 535 D N 2.374 122.703 120.400 -0.117 0.000 2.343 535 D HA 0.239 4.878 4.640 -0.000 0.000 0.255 535 D C -0.657 175.648 176.300 0.007 0.000 1.187 535 D CA 0.465 54.330 54.000 -0.224 0.000 0.875 535 D CB 0.673 41.375 40.800 -0.164 0.000 1.136 535 D HN 0.582 nan 8.370 nan 0.000 0.469 536 S N 0.887 116.652 115.700 0.108 0.000 2.586 536 S HA 0.237 4.707 4.470 -0.000 0.000 0.277 536 S C -0.340 174.499 174.600 0.397 0.000 1.131 536 S CA -1.095 57.274 58.200 0.282 0.000 0.848 536 S CB 0.103 63.374 63.200 0.118 0.000 1.091 536 S HN 0.515 nan 8.310 nan 0.000 0.453 537 C N 1.983 121.466 119.300 0.306 0.000 2.401 537 C HA 0.036 4.495 4.460 -0.000 0.000 0.386 537 C C 2.395 177.530 174.990 0.242 0.000 1.411 537 C CA 0.612 59.764 59.018 0.223 0.000 1.575 537 C CB -0.715 27.069 27.740 0.073 0.000 2.564 537 C HN 0.743 nan 8.230 nan 0.000 0.580 538 V N 3.430 123.487 119.914 0.238 0.000 2.446 538 V HA 0.128 4.247 4.120 -0.000 0.000 0.244 538 V C 1.674 177.836 176.094 0.113 0.000 1.039 538 V CA 1.876 64.292 62.300 0.194 0.000 1.045 538 V CB -1.350 30.598 31.823 0.209 0.000 0.681 538 V HN 1.062 nan 8.190 nan 0.000 0.459 539 G N 0.107 108.957 108.800 0.084 0.000 3.022 539 G HA2 0.497 4.457 3.960 -0.000 0.000 0.157 539 G HA3 0.497 4.457 3.960 -0.000 0.000 0.157 539 G C -0.102 174.828 174.900 0.050 0.000 1.468 539 G CA 0.522 45.657 45.100 0.058 0.000 1.058 539 G HN 0.654 nan 8.290 nan 0.000 0.581 540 S N -2.060 113.660 115.700 0.033 0.000 2.618 540 S HA 0.736 5.206 4.470 -0.000 0.000 0.277 540 S C -1.744 172.860 174.600 0.008 0.000 1.138 540 S CA -0.646 57.568 58.200 0.024 0.000 0.844 540 S CB 2.145 65.361 63.200 0.027 0.000 1.127 540 S HN 1.032 nan 8.310 nan 0.000 0.474 541 L N 1.165 122.388 121.223 0.001 0.000 2.588 541 L HA 0.810 5.150 4.340 -0.000 0.000 0.263 541 L C -1.743 175.123 176.870 -0.007 0.000 0.935 541 L CA -0.172 54.662 54.840 -0.009 0.000 0.891 541 L CB 1.725 43.766 42.059 -0.031 0.000 1.318 541 L HN 0.835 nan 8.230 nan 0.000 0.409 542 V N 4.504 124.417 119.914 -0.002 0.000 2.932 542 V HA 0.641 4.761 4.120 -0.000 0.000 0.307 542 V C -1.248 174.847 176.094 0.001 0.000 1.147 542 V CA -0.609 61.691 62.300 -0.001 0.000 0.951 542 V CB 2.790 34.616 31.823 0.004 0.000 1.031 542 V HN 0.378 nan 8.190 nan 0.000 0.426 543 V N 5.606 125.521 119.914 0.001 0.000 2.327 543 V HA 0.397 4.517 4.120 -0.000 0.000 0.272 543 V C 0.084 176.181 176.094 0.006 0.000 1.019 543 V CA -0.758 61.545 62.300 0.005 0.000 0.814 543 V CB 1.109 32.935 31.823 0.005 0.000 1.040 543 V HN 0.976 nan 8.190 nan 0.000 0.440 544 K N 1.775 122.180 120.400 0.008 0.000 2.583 544 K HA 0.754 5.074 4.320 -0.000 0.000 0.263 544 K C 0.419 177.026 176.600 0.011 0.000 1.038 544 K CA -0.622 55.670 56.287 0.009 0.000 1.031 544 K CB 0.745 33.250 32.500 0.008 0.000 1.399 544 K HN 0.354 nan 8.250 nan 0.000 0.531 545 S N -1.559 114.147 115.700 0.011 0.000 2.603 545 S HA 0.282 4.752 4.470 -0.000 0.000 0.268 545 S C 0.923 175.530 174.600 0.011 0.000 1.317 545 S CA -0.185 58.023 58.200 0.012 0.000 1.012 545 S CB 0.684 63.891 63.200 0.012 0.000 0.926 545 S HN 0.674 nan 8.310 nan 0.000 0.539 546 G N 1.720 110.527 108.800 0.011 0.000 2.518 546 G HA2 0.042 4.001 3.960 -0.000 0.000 0.213 546 G HA3 0.042 4.001 3.960 -0.000 0.000 0.213 546 G C 0.144 175.049 174.900 0.010 0.000 1.226 546 G CA -0.095 45.011 45.100 0.010 0.000 0.822 546 G HN 0.832 nan 8.290 nan 0.000 0.546 547 Q N 1.777 121.583 119.800 0.010 0.000 2.283 547 Q HA 0.162 4.502 4.340 -0.000 0.000 0.269 547 Q C 0.952 176.958 176.000 0.009 0.000 1.187 547 Q CA 0.336 56.144 55.803 0.009 0.000 0.922 547 Q CB 1.066 29.809 28.738 0.008 0.000 1.323 547 Q HN 0.188 nan 8.270 nan 0.000 0.432 548 S N 2.060 117.765 115.700 0.008 0.000 2.393 548 S HA -0.245 4.224 4.470 -0.000 0.000 0.234 548 S C 0.568 175.173 174.600 0.008 0.000 1.064 548 S CA 2.071 60.276 58.200 0.008 0.000 1.088 548 S CB 0.165 63.369 63.200 0.007 0.000 0.939 548 S HN 0.792 nan 8.310 nan 0.000 0.448 549 E N -0.749 119.456 120.200 0.008 0.000 2.367 549 E HA 0.510 4.859 4.350 -0.000 0.000 0.273 549 E C -1.595 175.010 176.600 0.008 0.000 0.903 549 E CA -0.691 55.714 56.400 0.008 0.000 0.764 549 E CB 1.736 31.440 29.700 0.007 0.000 1.252 549 E HN 0.167 nan 8.360 nan 0.000 0.446 550 D N 0.362 120.767 120.400 0.008 0.000 2.926 550 D HA 0.190 4.830 4.640 -0.000 0.000 0.282 550 D C -1.517 174.789 176.300 0.009 0.000 1.201 550 D CA -0.457 53.548 54.000 0.008 0.000 0.735 550 D CB 1.003 41.808 40.800 0.009 0.000 1.257 550 D HN 0.406 nan 8.370 nan 0.000 0.428 551 R N 0.586 121.090 120.500 0.008 0.000 2.553 551 R HA 0.478 4.817 4.340 -0.000 0.000 0.263 551 R C 0.030 176.336 176.300 0.010 0.000 1.066 551 R CA -0.703 55.402 56.100 0.008 0.000 1.135 551 R CB 0.522 30.825 30.300 0.005 0.000 1.148 551 R HN 0.392 nan 8.270 nan 0.000 0.558 552 Q N 1.438 121.245 119.800 0.012 0.000 2.326 552 Q HA -0.028 4.311 4.340 -0.000 0.000 0.314 552 Q C -1.946 174.060 176.000 0.010 0.000 1.091 552 Q CA -0.558 55.255 55.803 0.015 0.000 0.974 552 Q CB 0.031 28.780 28.738 0.018 0.000 1.220 552 Q HN 0.298 nan 8.270 nan 0.000 0.398 553 P HA 0.178 nan 4.420 nan 0.000 0.277 553 P C -1.058 176.245 177.300 0.005 0.000 1.276 553 P CA -0.429 62.676 63.100 0.009 0.000 0.788 553 P CB 0.639 32.347 31.700 0.013 0.000 1.114 554 V N 0.621 120.536 119.914 0.001 0.000 2.823 554 V HA 0.349 4.469 4.120 -0.000 0.000 0.312 554 V C -2.361 173.732 176.094 -0.003 0.000 1.072 554 V CA -2.219 60.078 62.300 -0.005 0.000 0.937 554 V CB 1.747 33.564 31.823 -0.010 0.000 1.013 554 V HN 0.492 nan 8.190 nan 0.000 0.430 555 P HA 0.106 nan 4.420 nan 0.000 0.255 555 P C 0.827 178.127 177.300 -0.000 0.000 1.161 555 P CA 1.833 64.931 63.100 -0.002 0.000 0.768 555 P CB -0.009 31.685 31.700 -0.010 0.000 0.746 556 G N 1.784 110.586 108.800 0.004 0.000 2.176 556 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 556 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 556 G C 0.241 175.143 174.900 0.004 0.000 0.979 556 G CA 0.000 45.102 45.100 0.004 0.000 0.641 556 G HN 0.665 nan 8.290 nan 0.000 0.530 557 Q N 0.347 120.150 119.800 0.004 0.000 2.354 557 Q HA 0.476 4.816 4.340 -0.000 0.000 0.244 557 Q C 0.406 176.410 176.000 0.006 0.000 0.969 557 Q CA -0.315 55.490 55.803 0.004 0.000 0.885 557 Q CB 0.416 29.156 28.738 0.003 0.000 1.241 557 Q HN 0.475 nan 8.270 nan 0.000 0.461 558 Q N 2.526 122.329 119.800 0.006 0.000 2.314 558 Q HA 0.305 4.645 4.340 -0.000 0.000 0.258 558 Q C -0.918 175.087 176.000 0.008 0.000 0.954 558 Q CA 0.074 55.881 55.803 0.007 0.000 0.890 558 Q CB 0.749 29.490 28.738 0.005 0.000 1.210 558 Q HN 0.655 nan 8.270 nan 0.000 0.410 559 M N 1.942 121.548 119.600 0.010 0.000 2.386 559 M HA 0.422 4.902 4.480 -0.000 0.000 0.293 559 M C -1.438 174.868 176.300 0.011 0.000 1.120 559 M CA -0.423 54.883 55.300 0.011 0.000 0.909 559 M CB 2.418 35.027 32.600 0.014 0.000 1.661 559 M HN 0.385 nan 8.290 nan 0.000 0.452 560 T N 4.580 119.140 114.554 0.011 0.000 2.771 560 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 560 T C -0.874 173.833 174.700 0.012 0.000 0.954 560 T CA -0.413 61.694 62.100 0.011 0.000 1.045 560 T CB 0.833 69.706 68.868 0.009 0.000 0.917 560 T HN 0.558 nan 8.240 nan 0.000 0.484 561 L N 3.602 124.832 121.223 0.012 0.000 2.309 561 L HA 0.553 4.893 4.340 -0.000 0.000 0.282 561 L C -0.052 176.825 176.870 0.012 0.000 1.036 561 L CA -0.344 54.504 54.840 0.013 0.000 0.806 561 L CB 1.270 43.337 42.059 0.014 0.000 1.220 561 L HN 0.451 nan 8.230 nan 0.000 0.429 562 K N 5.159 125.566 120.400 0.012 0.000 2.274 562 K HA 0.602 4.921 4.320 -0.000 0.000 0.262 562 K C -1.476 175.131 176.600 0.011 0.000 0.961 562 K CA -0.467 55.827 56.287 0.011 0.000 0.833 562 K CB 0.918 33.425 32.500 0.011 0.000 1.102 562 K HN 0.595 nan 8.250 nan 0.000 0.436 563 I N 3.917 124.493 120.570 0.011 0.000 2.420 563 I HA 0.206 4.376 4.170 -0.000 0.000 0.282 563 I C -0.652 175.472 176.117 0.012 0.000 1.019 563 I CA -0.572 60.734 61.300 0.010 0.000 1.130 563 I CB 1.813 39.818 38.000 0.008 0.000 1.262 563 I HN 0.498 nan 8.210 nan 0.000 0.454 564 E N 5.179 125.386 120.200 0.012 0.000 2.055 564 E HA 0.601 4.951 4.350 -0.000 0.000 0.274 564 E C 0.056 176.666 176.600 0.016 0.000 0.949 564 E CA -0.384 56.026 56.400 0.016 0.000 0.775 564 E CB 1.829 31.538 29.700 0.015 0.000 1.097 564 E HN 0.800 nan 8.360 nan 0.000 0.404 565 G N 2.312 111.124 108.800 0.020 0.000 2.788 565 G HA2 0.154 4.114 3.960 -0.000 0.000 0.293 565 G HA3 0.154 4.114 3.960 -0.000 0.000 0.293 565 G C -0.963 173.958 174.900 0.035 0.000 1.392 565 G CA -0.767 44.345 45.100 0.020 0.000 0.810 565 G HN 0.343 nan 8.290 nan 0.000 0.508 566 D N 0.377 120.797 120.400 0.034 0.000 2.455 566 D HA 0.089 4.729 4.640 -0.000 0.000 0.241 566 D C 0.227 176.568 176.300 0.069 0.000 1.138 566 D CA 0.645 54.678 54.000 0.056 0.000 0.877 566 D CB 0.909 41.736 40.800 0.045 0.000 1.187 566 D HN 0.407 nan 8.370 nan 0.000 0.451 567 H N 0.228 119.305 119.070 0.012 0.000 3.064 567 H HA 0.131 4.686 4.556 -0.001 0.000 0.329 567 H C 1.483 176.818 175.328 0.012 0.000 1.020 567 H CA 1.524 57.578 56.048 0.011 0.000 1.402 567 H CB 0.344 30.113 29.762 0.011 0.000 1.379 567 H HN 0.656 nan 8.280 nan 0.000 0.594 568 G N 2.244 110.691 108.800 -0.588 0.000 2.189 568 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 568 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 568 G C 0.566 175.375 174.900 -0.153 0.000 0.975 568 G CA 0.515 45.377 45.100 -0.396 0.000 0.644 568 G HN 1.013 nan 8.290 nan 0.000 0.537 569 A N -0.300 122.464 122.820 -0.094 0.000 2.386 569 A HA 0.675 4.995 4.320 -0.000 0.000 0.246 569 A C 0.727 178.289 177.584 -0.037 0.000 1.089 569 A CA 0.880 52.892 52.037 -0.041 0.000 0.790 569 A CB 0.286 19.274 19.000 -0.019 0.000 1.042 569 A HN 1.015 nan 8.150 nan 0.000 0.497 570 R N 0.542 121.035 120.500 -0.012 0.000 2.460 570 R HA 0.575 4.915 4.340 -0.000 0.000 0.303 570 R C -1.497 174.812 176.300 0.015 0.000 0.968 570 R CA -0.375 55.726 56.100 0.002 0.000 0.889 570 R CB 1.124 31.435 30.300 0.019 0.000 1.123 570 R HN 0.480 nan 8.270 nan 0.000 0.455 571 V N 5.007 124.930 119.914 0.015 0.000 2.581 571 V HA 0.475 4.595 4.120 -0.000 0.000 0.303 571 V C -0.458 175.663 176.094 0.044 0.000 1.041 571 V CA -0.822 61.491 62.300 0.023 0.000 0.907 571 V CB 1.702 33.532 31.823 0.010 0.000 0.994 571 V HN 0.647 nan 8.190 nan 0.000 0.442 572 V N 2.904 122.861 119.914 0.072 0.000 2.483 572 V HA 0.674 4.793 4.120 -0.000 0.000 0.297 572 V C -0.631 175.508 176.094 0.076 0.000 1.027 572 V CA -0.583 61.768 62.300 0.084 0.000 0.855 572 V CB 1.295 33.201 31.823 0.139 0.000 0.995 572 V HN 0.672 nan 8.190 nan 0.000 0.424 573 L N 4.663 125.918 121.223 0.053 0.000 2.352 573 L HA 0.919 5.259 4.340 -0.000 0.000 0.269 573 L C -0.311 176.591 176.870 0.054 0.000 1.034 573 L CA -0.969 53.899 54.840 0.047 0.000 0.806 573 L CB 1.982 44.061 42.059 0.033 0.000 1.244 573 L HN 0.670 nan 8.230 nan 0.000 0.447 574 V N 1.002 120.951 119.914 0.058 0.000 2.966 574 V HA 0.777 4.896 4.120 -0.000 0.000 0.288 574 V C -1.569 174.565 176.094 0.067 0.000 1.380 574 V CA -0.250 62.087 62.300 0.063 0.000 0.966 574 V CB 2.044 33.915 31.823 0.080 0.000 1.115 574 V HN 0.863 nan 8.190 nan 0.000 0.436 575 A N 5.387 128.244 122.820 0.061 0.000 2.355 575 A HA 0.943 5.263 4.320 -0.000 0.000 0.317 575 A C -1.248 176.377 177.584 0.070 0.000 1.094 575 A CA -0.569 51.509 52.037 0.069 0.000 0.764 575 A CB 2.016 21.048 19.000 0.053 0.000 1.230 575 A HN 1.471 nan 8.150 nan 0.000 0.448 576 V N 2.372 122.348 119.914 0.102 0.000 2.525 576 V HA 0.244 4.364 4.120 -0.000 0.000 0.299 576 V C -0.387 175.752 176.094 0.076 0.000 1.034 576 V CA -0.895 61.444 62.300 0.064 0.000 0.863 576 V CB 1.704 33.569 31.823 0.071 0.000 0.999 576 V HN 0.971 nan 8.190 nan 0.000 0.423 577 D N 3.853 124.257 120.400 0.007 0.000 2.570 577 D HA -0.042 4.597 4.640 -0.000 0.000 0.243 577 D C 1.115 177.424 176.300 0.015 0.000 1.171 577 D CA 0.527 54.538 54.000 0.019 0.000 0.879 577 D CB 0.811 41.607 40.800 -0.008 0.000 1.143 577 D HN 0.531 nan 8.370 nan 0.000 0.511 578 K N 2.355 122.833 120.400 0.130 0.000 2.585 578 K HA -0.066 4.254 4.320 -0.000 0.000 0.194 578 K C 1.760 178.433 176.600 0.123 0.000 1.037 578 K CA 0.531 56.978 56.287 0.268 0.000 0.964 578 K CB 0.106 32.740 32.500 0.224 0.000 0.787 578 K HN 0.507 nan 8.250 nan 0.000 0.488 579 G N 0.657 109.462 108.800 0.008 0.000 2.422 579 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 579 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 579 G C 1.479 176.285 174.900 -0.158 0.000 1.140 579 G CA 0.264 45.332 45.100 -0.053 0.000 0.775 579 G HN 0.078 nan 8.290 nan 0.000 0.545 580 V N 0.838 120.589 119.914 -0.271 0.000 2.231 580 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 580 V C 2.458 178.305 176.094 -0.412 0.000 1.054 580 V CA 1.812 63.833 62.300 -0.465 0.000 1.015 580 V CB -0.762 30.653 31.823 -0.680 0.000 0.638 580 V HN 0.358 nan 8.190 nan 0.000 0.444 581 F N -0.046 119.831 119.950 -0.121 0.000 2.529 581 F HA -0.096 4.430 4.527 -0.001 0.000 0.297 581 F C 1.951 177.686 175.800 -0.107 0.000 1.114 581 F CA 0.814 58.754 58.000 -0.100 0.000 1.467 581 F CB -0.995 37.967 39.000 -0.064 0.000 1.096 581 F HN 0.019 nan 8.300 nan 0.000 0.586 582 V N -0.731 119.175 119.914 -0.013 0.000 3.406 582 V HA -0.102 4.018 4.120 -0.000 0.000 0.263 582 V C 1.940 177.960 176.094 -0.123 0.000 1.172 582 V CA 0.910 63.168 62.300 -0.068 0.000 1.140 582 V CB -0.330 31.421 31.823 -0.121 0.000 0.784 582 V HN 0.359 nan 8.190 nan 0.000 0.467 583 L N -0.373 120.744 121.223 -0.177 0.000 2.357 583 L HA 0.315 4.655 4.340 -0.000 0.000 0.211 583 L C 0.729 177.504 176.870 -0.160 0.000 1.075 583 L CA 0.575 55.284 54.840 -0.218 0.000 0.830 583 L CB 0.338 42.156 42.059 -0.403 0.000 0.996 583 L HN 0.405 nan 8.230 nan 0.000 0.467 584 N N 0.161 118.782 118.700 -0.131 0.000 2.600 584 N HA 0.076 4.816 4.740 -0.000 0.000 0.272 584 N C -0.689 174.858 175.510 0.062 0.000 1.095 584 N CA -0.229 52.792 53.050 -0.049 0.000 0.993 584 N CB 1.397 39.839 38.487 -0.075 0.000 1.603 584 N HN 0.082 nan 8.380 nan 0.000 0.526 585 K N 1.271 121.737 120.400 0.109 0.000 2.478 585 K HA 0.329 4.649 4.320 -0.000 0.000 0.205 585 K C -0.283 176.396 176.600 0.132 0.000 1.033 585 K CA -0.322 56.083 56.287 0.197 0.000 1.091 585 K CB 0.466 33.034 32.500 0.113 0.000 0.844 585 K HN 0.216 nan 8.250 nan 0.000 0.507 586 K N 1.117 121.581 120.400 0.106 0.000 2.098 586 K HA 0.261 4.581 4.320 -0.000 0.000 0.258 586 K C -0.532 176.135 176.600 0.112 0.000 0.973 586 K CA -0.753 55.586 56.287 0.086 0.000 0.898 586 K CB 0.890 33.428 32.500 0.063 0.000 1.057 586 K HN 0.124 nan 8.250 nan 0.000 0.447 587 N N 0.097 118.859 118.700 0.102 0.000 2.901 587 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 587 N C -1.095 174.499 175.510 0.140 0.000 1.044 587 N CA 0.715 53.839 53.050 0.123 0.000 0.847 587 N CB -0.688 37.888 38.487 0.147 0.000 1.127 587 N HN 0.486 nan 8.380 nan 0.000 0.562 588 K N 0.296 120.771 120.400 0.125 0.000 2.180 588 K HA 0.278 4.598 4.320 -0.000 0.000 0.251 588 K C -0.079 176.573 176.600 0.088 0.000 1.014 588 K CA -0.468 55.892 56.287 0.122 0.000 0.913 588 K CB 0.550 33.101 32.500 0.085 0.000 1.008 588 K HN -0.009 nan 8.250 nan 0.000 0.490 589 L N 1.219 122.489 121.223 0.078 0.000 2.326 589 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 589 L C -0.558 176.288 176.870 -0.041 0.000 1.092 589 L CA 0.691 55.550 54.840 0.031 0.000 0.810 589 L CB 1.306 43.390 42.059 0.041 0.000 1.153 589 L HN 0.543 nan 8.230 nan 0.000 0.439 590 T N 3.251 117.756 114.554 -0.082 0.000 2.903 590 T HA 0.208 4.558 4.350 -0.000 0.000 0.299 590 T C 0.358 174.934 174.700 -0.206 0.000 1.093 590 T CA -0.213 61.821 62.100 -0.110 0.000 1.002 590 T CB 1.941 70.773 68.868 -0.061 0.000 1.127 590 T HN 0.615 nan 8.240 nan 0.000 0.488 591 Q N 1.026 120.688 119.800 -0.230 0.000 2.230 591 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 591 Q C 1.961 177.745 176.000 -0.361 0.000 0.963 591 Q CA 1.547 57.114 55.803 -0.392 0.000 0.866 591 Q CB -0.149 28.393 28.738 -0.328 0.000 0.931 591 Q HN 0.604 nan 8.270 nan 0.000 0.452 592 S N 0.192 115.822 115.700 -0.116 0.000 2.423 592 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 592 S C 1.481 176.088 174.600 0.011 0.000 1.014 592 S CA 0.992 59.213 58.200 0.035 0.000 0.965 592 S CB -0.074 63.166 63.200 0.066 0.000 0.785 592 S HN 0.382 nan 8.310 nan 0.000 0.495 593 K N 0.906 121.275 120.400 -0.052 0.000 2.155 593 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 593 K C 1.831 178.421 176.600 -0.016 0.000 1.052 593 K CA 0.912 57.196 56.287 -0.004 0.000 0.948 593 K CB -0.244 32.265 32.500 0.015 0.000 0.728 593 K HN 0.367 nan 8.250 nan 0.000 0.448 594 I N -0.641 119.805 120.570 -0.207 0.000 2.233 594 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 594 I C 1.948 177.956 176.117 -0.182 0.000 1.093 594 I CA 1.247 62.361 61.300 -0.309 0.000 1.380 594 I CB -0.340 37.151 38.000 -0.849 0.000 1.067 594 I HN 0.274 nan 8.210 nan 0.000 0.413 595 W N 1.432 122.699 121.300 -0.056 0.000 2.325 595 W HA -0.281 4.379 4.660 -0.001 0.000 0.299 595 W C 2.233 178.749 176.519 -0.005 0.000 1.215 595 W CA 0.931 58.261 57.345 -0.024 0.000 1.244 595 W CB -0.384 29.073 29.460 -0.006 0.000 1.140 595 W HN 0.209 nan 8.180 nan 0.000 0.523 596 D N -0.203 120.322 120.400 0.209 0.000 2.178 596 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 596 D C 1.934 178.295 176.300 0.102 0.000 0.974 596 D CA 1.140 55.227 54.000 0.145 0.000 0.841 596 D CB -0.060 40.806 40.800 0.110 0.000 0.953 596 D HN -0.101 nan 8.370 nan 0.000 0.478 597 V N -0.328 119.625 119.914 0.064 0.000 2.427 597 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 597 V C 2.374 178.437 176.094 -0.052 0.000 1.051 597 V CA 1.128 63.420 62.300 -0.012 0.000 1.048 597 V CB -0.011 31.763 31.823 -0.081 0.000 0.666 597 V HN 0.178 nan 8.190 nan 0.000 0.456 598 V N -0.772 119.132 119.914 -0.016 0.000 2.548 598 V HA -0.125 3.994 4.120 -0.000 0.000 0.249 598 V C 2.468 178.667 176.094 0.175 0.000 1.055 598 V CA 1.436 63.807 62.300 0.118 0.000 1.065 598 V CB -0.499 31.483 31.823 0.266 0.000 0.681 598 V HN 0.512 nan 8.190 nan 0.000 0.462 599 E N 0.567 120.850 120.200 0.139 0.000 2.072 599 E HA -0.144 4.205 4.350 -0.000 0.000 0.190 599 E C 2.178 178.822 176.600 0.073 0.000 0.982 599 E CA 0.822 57.269 56.400 0.078 0.000 0.803 599 E CB -0.118 29.634 29.700 0.086 0.000 0.755 599 E HN 0.515 nan 8.360 nan 0.000 0.453 600 K N 0.253 120.710 120.400 0.095 0.000 2.519 600 K HA -0.031 4.289 4.320 -0.000 0.000 0.196 600 K C 1.291 177.955 176.600 0.108 0.000 1.041 600 K CA 0.627 56.967 56.287 0.089 0.000 0.954 600 K CB 0.117 32.666 32.500 0.081 0.000 0.774 600 K HN -0.039 nan 8.250 nan 0.000 0.480 601 A N 0.971 123.884 122.820 0.154 0.000 2.460 601 A HA 0.023 4.343 4.320 -0.000 0.000 0.258 601 A C -0.197 177.475 177.584 0.147 0.000 1.300 601 A CA -0.321 51.840 52.037 0.208 0.000 0.913 601 A CB 0.034 19.273 19.000 0.398 0.000 1.031 601 A HN 0.075 nan 8.150 nan 0.000 0.512 602 D N 0.361 120.802 120.400 0.068 0.000 2.341 602 D HA 0.248 4.888 4.640 -0.000 0.000 0.245 602 D C 1.335 177.639 176.300 0.006 0.000 1.106 602 D CA -0.187 53.813 54.000 -0.000 0.000 0.905 602 D CB 0.736 41.468 40.800 -0.113 0.000 1.202 602 D HN 0.364 nan 8.370 nan 0.000 0.426 603 I N 0.147 120.713 120.570 -0.007 0.000 3.228 603 I HA 0.304 4.474 4.170 -0.000 0.000 0.279 603 I C 1.256 177.371 176.117 -0.004 0.000 1.221 603 I CA -0.394 60.908 61.300 0.003 0.000 1.458 603 I CB -0.123 37.878 38.000 0.002 0.000 1.105 603 I HN 0.202 nan 8.210 nan 0.000 0.445 604 G N 0.553 109.330 108.800 -0.038 0.000 2.370 604 G HA2 0.350 4.310 3.960 -0.000 0.000 0.272 604 G HA3 0.350 4.310 3.960 -0.000 0.000 0.272 604 G C 0.138 175.025 174.900 -0.022 0.000 1.208 604 G CA -0.351 44.726 45.100 -0.037 0.000 0.856 604 G HN 0.452 nan 8.290 nan 0.000 0.500 605 c N 1.355 119.975 118.600 0.033 0.000 3.336 605 c HA 0.366 4.936 4.570 -0.000 0.000 0.291 605 c C 1.180 175.336 174.090 0.110 0.000 1.363 605 c CA -0.204 56.164 56.329 0.066 0.000 1.737 605 c CB -0.877 41.670 42.510 0.062 0.000 2.274 605 c HN 0.635 nan 8.230 nan 0.000 0.663 606 T N 1.665 116.294 114.554 0.125 0.000 2.887 606 T HA 0.319 4.668 4.350 -0.000 0.000 0.288 606 T C -1.889 172.964 174.700 0.254 0.000 1.021 606 T CA -0.441 61.750 62.100 0.151 0.000 1.000 606 T CB 2.203 71.138 68.868 0.111 0.000 1.034 606 T HN -0.133 nan 8.240 nan 0.000 0.467 607 P HA 0.159 nan 4.420 nan 0.000 0.215 607 P C 0.413 177.843 177.300 0.217 0.000 1.157 607 P CA 0.685 63.944 63.100 0.266 0.000 0.863 607 P CB 0.187 31.905 31.700 0.031 0.000 0.787 608 G N -2.971 105.916 108.800 0.145 0.000 2.698 608 G HA2 0.514 4.473 3.960 -0.000 0.000 0.293 608 G HA3 0.514 4.473 3.960 -0.000 0.000 0.293 608 G C -0.839 174.137 174.900 0.127 0.000 1.437 608 G CA 0.196 45.370 45.100 0.123 0.000 0.852 608 G HN 0.094 nan 8.290 nan 0.000 0.499 609 S N -2.169 113.584 115.700 0.089 0.000 3.740 609 S HA 0.347 4.817 4.470 -0.000 0.000 0.637 609 S C 0.325 175.015 174.600 0.151 0.000 2.126 609 S CA 1.313 59.567 58.200 0.089 0.000 2.309 609 S CB -0.955 62.331 63.200 0.143 0.000 0.330 609 S HN 2.667 nan 8.310 nan 0.000 1.786 610 G N 0.139 109.061 108.800 0.203 0.000 2.718 610 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 610 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 610 G C 0.111 175.112 174.900 0.167 0.000 1.421 610 G CA 0.315 45.559 45.100 0.240 0.000 0.902 610 G HN 0.938 nan 8.290 nan 0.000 0.501 611 K N -0.752 119.606 120.400 -0.070 0.000 2.097 611 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 611 K C 0.270 176.731 176.600 -0.231 0.000 1.049 611 K CA 1.768 57.728 56.287 -0.545 0.000 0.933 611 K CB -0.125 32.149 32.500 -0.375 0.000 0.717 611 K HN 0.520 nan 8.250 nan 0.000 0.442 612 D N -1.183 119.194 120.400 -0.038 0.000 2.636 612 D HA -0.034 4.606 4.640 -0.000 0.000 0.275 612 D C 1.076 177.533 176.300 0.261 0.000 1.130 612 D CA -0.761 53.209 54.000 -0.051 0.000 1.031 612 D CB -0.025 40.764 40.800 -0.018 0.000 1.451 612 D HN 0.144 nan 8.370 nan 0.000 0.505 613 Y N -0.535 119.830 120.300 0.107 0.000 2.181 613 Y HA -0.135 4.415 4.550 -0.000 0.000 0.284 613 Y C 1.821 177.856 175.900 0.225 0.000 1.179 613 Y CA 1.977 60.215 58.100 0.231 0.000 1.179 613 Y CB -0.577 37.913 38.460 0.049 0.000 0.973 613 Y HN 0.346 nan 8.280 nan 0.000 0.519 614 A N 0.584 122.890 122.820 -0.857 0.000 2.208 614 A HA 0.268 4.587 4.320 -0.000 0.000 0.209 614 A C 2.182 179.658 177.584 -0.181 0.000 1.161 614 A CA 0.706 52.254 52.037 -0.815 0.000 0.782 614 A CB -1.066 17.404 19.000 -0.885 0.000 0.816 614 A HN 0.659 nan 8.150 nan 0.000 0.477 615 G N -0.651 108.130 108.800 -0.032 0.000 2.471 615 G HA2 0.037 3.997 3.960 -0.000 0.000 0.211 615 G HA3 0.037 3.997 3.960 -0.000 0.000 0.211 615 G C 1.404 176.366 174.900 0.102 0.000 1.194 615 G CA 0.861 45.998 45.100 0.061 0.000 0.816 615 G HN 0.160 nan 8.290 nan 0.000 0.545 616 V N 0.637 120.619 119.914 0.113 0.000 2.311 616 V HA -0.299 3.820 4.120 -0.000 0.000 0.259 616 V C 2.552 178.602 176.094 -0.072 0.000 1.086 616 V CA 2.194 64.504 62.300 0.017 0.000 1.078 616 V CB -0.540 31.258 31.823 -0.042 0.000 0.668 616 V HN 0.368 nan 8.190 nan 0.000 0.452 617 F N -0.676 119.246 119.950 -0.047 0.000 2.234 617 F HA -0.080 4.447 4.527 -0.000 0.000 0.296 617 F C 2.659 178.456 175.800 -0.006 0.000 1.089 617 F CA 1.675 59.653 58.000 -0.037 0.000 1.343 617 F CB -0.348 38.600 39.000 -0.086 0.000 1.040 617 F HN 0.103 nan 8.300 nan 0.000 0.498 618 S N -0.815 114.977 115.700 0.153 0.000 2.501 618 S HA -0.080 4.390 4.470 -0.000 0.000 0.220 618 S C 1.597 176.244 174.600 0.079 0.000 0.997 618 S CA 0.717 58.978 58.200 0.102 0.000 0.919 618 S CB -0.293 62.952 63.200 0.075 0.000 0.778 618 S HN 0.179 nan 8.310 nan 0.000 0.523 619 D N 2.142 122.588 120.400 0.076 0.000 2.085 619 D HA 0.177 4.817 4.640 -0.000 0.000 0.199 619 D C 1.155 177.480 176.300 0.043 0.000 0.981 619 D CA 1.105 55.148 54.000 0.072 0.000 0.834 619 D CB -0.682 40.176 40.800 0.097 0.000 0.992 619 D HN 0.481 nan 8.370 nan 0.000 0.457 620 A N 0.217 123.048 122.820 0.017 0.000 2.406 620 A HA 0.452 4.772 4.320 -0.000 0.000 0.243 620 A C 1.038 178.632 177.584 0.016 0.000 1.082 620 A CA 0.339 52.373 52.037 -0.005 0.000 0.786 620 A CB 0.068 19.048 19.000 -0.033 0.000 1.029 620 A HN 0.184 nan 8.150 nan 0.000 0.495 621 G N 0.408 109.214 108.800 0.010 0.000 2.852 621 G HA2 0.470 4.429 3.960 -0.000 0.000 0.280 621 G HA3 0.470 4.429 3.960 -0.000 0.000 0.280 621 G C -0.377 174.557 174.900 0.057 0.000 0.731 621 G CA 0.064 45.181 45.100 0.028 0.000 2.037 621 G HN 0.504 nan 8.290 nan 0.000 0.560 622 L N 0.712 121.991 121.223 0.093 0.000 2.469 622 L HA 0.623 4.963 4.340 -0.000 0.000 0.256 622 L C -0.186 176.803 176.870 0.199 0.000 1.006 622 L CA -1.014 53.921 54.840 0.157 0.000 0.832 622 L CB 2.960 45.139 42.059 0.199 0.000 1.421 622 L HN 0.366 nan 8.230 nan 0.000 0.410 623 T N -1.442 113.231 114.554 0.198 0.000 2.893 623 T HA 0.621 4.971 4.350 -0.000 0.000 0.293 623 T C -1.107 173.670 174.700 0.128 0.000 1.027 623 T CA -0.554 61.633 62.100 0.145 0.000 0.988 623 T CB 2.167 71.079 68.868 0.073 0.000 1.043 623 T HN 0.355 nan 8.240 nan 0.000 0.461 624 F N 1.851 121.686 119.950 -0.192 0.000 2.500 624 F HA 0.567 5.094 4.527 -0.000 0.000 0.349 624 F C -0.725 174.953 175.800 -0.204 0.000 1.127 624 F CA -0.245 57.534 58.000 -0.368 0.000 0.998 624 F CB 1.555 39.905 39.000 -1.084 0.000 1.237 624 F HN 0.711 nan 8.300 nan 0.000 0.439 625 T N 4.265 118.596 114.554 -0.372 0.000 2.809 625 T HA 0.468 4.817 4.350 -0.000 0.000 0.284 625 T C -0.609 173.913 174.700 -0.297 0.000 0.992 625 T CA -0.670 61.316 62.100 -0.189 0.000 0.957 625 T CB 1.298 70.123 68.868 -0.071 0.000 0.942 625 T HN 0.596 nan 8.240 nan 0.000 0.439 626 S N 1.468 117.103 115.700 -0.108 0.000 2.607 626 S HA 0.503 4.973 4.470 -0.000 0.000 0.303 626 S C 1.600 176.243 174.600 0.071 0.000 1.086 626 S CA -0.331 57.853 58.200 -0.028 0.000 0.995 626 S CB 1.573 64.865 63.200 0.153 0.000 1.084 626 S HN 0.613 nan 8.310 nan 0.000 0.507 627 S N 2.242 118.004 115.700 0.104 0.000 2.368 627 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 627 S C 1.660 176.316 174.600 0.094 0.000 1.044 627 S CA 1.750 60.028 58.200 0.131 0.000 1.062 627 S CB -1.513 61.806 63.200 0.199 0.000 0.931 627 S HN 0.765 nan 8.310 nan 0.000 0.440 628 S N 1.021 116.771 115.700 0.082 0.000 2.584 628 S HA 0.315 4.785 4.470 -0.000 0.000 0.240 628 S C 1.570 176.209 174.600 0.064 0.000 0.975 628 S CA 0.649 58.885 58.200 0.061 0.000 0.949 628 S CB -0.774 62.454 63.200 0.046 0.000 0.761 628 S HN 1.179 nan 8.310 nan 0.000 0.536 629 G N 0.891 109.739 108.800 0.081 0.000 2.179 629 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 629 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 629 G C -0.036 174.926 174.900 0.103 0.000 0.977 629 G CA -0.199 44.946 45.100 0.075 0.000 0.641 629 G HN 0.520 nan 8.290 nan 0.000 0.533 630 Q N 1.456 121.345 119.800 0.150 0.000 2.641 630 Q HA 0.404 4.744 4.340 -0.000 0.000 0.225 630 Q C 0.857 177.051 176.000 0.324 0.000 1.309 630 Q CA 0.304 56.245 55.803 0.230 0.000 0.935 630 Q CB 0.165 29.017 28.738 0.189 0.000 1.557 630 Q HN 0.832 nan 8.270 nan 0.000 0.563 631 Q N -0.373 119.547 119.800 0.199 0.000 2.193 631 Q HA 0.551 4.890 4.340 -0.000 0.000 0.246 631 Q C -0.373 175.660 176.000 0.055 0.000 0.959 631 Q CA -0.861 55.019 55.803 0.128 0.000 0.904 631 Q CB 1.065 29.839 28.738 0.059 0.000 1.238 631 Q HN 0.358 nan 8.270 nan 0.000 0.469 632 T N -1.909 112.640 114.554 -0.008 0.000 2.913 632 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 632 T C 0.360 175.044 174.700 -0.027 0.000 1.008 632 T CA -0.416 61.641 62.100 -0.072 0.000 1.067 632 T CB 1.020 69.859 68.868 -0.049 0.000 0.996 632 T HN 0.767 nan 8.240 nan 0.000 0.513 633 A N 3.172 125.974 122.820 -0.029 0.000 2.563 633 A HA 0.108 4.427 4.320 -0.000 0.000 0.256 633 A C 0.905 178.486 177.584 -0.005 0.000 1.056 633 A CA -0.190 51.841 52.037 -0.009 0.000 0.775 633 A CB -0.580 18.421 19.000 0.001 0.000 0.973 633 A HN 0.937 nan 8.150 nan 0.000 0.516 634 Q N 2.475 122.262 119.800 -0.021 0.000 2.354 634 Q HA -0.023 4.317 4.340 -0.000 0.000 0.310 634 Q C -0.042 175.957 176.000 -0.002 0.000 1.104 634 Q CA 0.577 56.358 55.803 -0.036 0.000 0.968 634 Q CB 0.380 29.059 28.738 -0.098 0.000 1.251 634 Q HN 0.742 nan 8.270 nan 0.000 0.411 635 R N 2.343 122.860 120.500 0.027 0.000 2.295 635 R HA 0.506 4.846 4.340 -0.000 0.000 0.324 635 R C -0.879 175.513 176.300 0.155 0.000 0.968 635 R CA 0.404 56.548 56.100 0.074 0.000 0.837 635 R CB 0.956 31.302 30.300 0.077 0.000 1.133 635 R HN 0.704 nan 8.270 nan 0.000 0.450 636 A N 3.936 126.856 122.820 0.167 0.000 2.605 636 A HA 0.178 4.497 4.320 -0.000 0.000 0.292 636 A C -0.546 177.151 177.584 0.189 0.000 1.055 636 A CA -0.314 51.916 52.037 0.321 0.000 0.969 636 A CB 0.532 19.720 19.000 0.312 0.000 1.236 636 A HN 0.623 nan 8.150 nan 0.000 0.534 637 E N -0.103 120.163 120.200 0.111 0.000 2.176 637 E HA 0.631 4.981 4.350 -0.000 0.000 0.267 637 E C 0.593 177.218 176.600 0.040 0.000 0.893 637 E CA -0.522 55.917 56.400 0.066 0.000 0.761 637 E CB 1.082 30.817 29.700 0.058 0.000 1.133 637 E HN 0.224 nan 8.360 nan 0.000 0.409 638 L N 2.007 123.239 121.223 0.015 0.000 2.005 638 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 638 L C 0.831 177.712 176.870 0.018 0.000 1.072 638 L CA 1.036 55.877 54.840 0.002 0.000 0.744 638 L CB -0.319 41.730 42.059 -0.016 0.000 0.895 638 L HN 0.508 nan 8.230 nan 0.000 0.433 639 Q N -1.166 118.648 119.800 0.022 0.000 2.317 639 Q HA 0.225 4.565 4.340 -0.000 0.000 0.229 639 Q C -0.155 175.867 176.000 0.036 0.000 0.984 639 Q CA -0.456 55.364 55.803 0.030 0.000 0.911 639 Q CB 1.102 29.856 28.738 0.027 0.000 1.217 639 Q HN 0.196 nan 8.270 nan 0.000 0.501 640 c N 1.902 120.526 118.600 0.040 0.000 2.767 640 c HA 0.168 4.738 4.570 -0.000 0.000 0.353 640 c C -1.822 172.295 174.090 0.045 0.000 1.376 640 c CA -0.834 55.522 56.329 0.045 0.000 2.284 640 c CB -0.877 41.662 42.510 0.048 0.000 2.535 640 c HN 0.653 nan 8.230 nan 0.000 0.745 641 P HA 0.050 nan 4.420 nan 0.000 0.257 641 P C -0.565 176.762 177.300 0.045 0.000 1.189 641 P CA 0.619 63.748 63.100 0.048 0.000 0.780 641 P CB -0.048 31.683 31.700 0.053 0.000 0.772 642 Q N 4.250 124.074 119.800 0.040 0.000 2.618 642 Q HA -0.074 4.266 4.340 -0.000 0.000 0.344 642 Q C -1.304 174.720 176.000 0.039 0.000 1.073 642 Q CA -0.676 55.149 55.803 0.036 0.000 1.105 642 Q CB -0.633 28.124 28.738 0.032 0.000 1.028 642 Q HN 0.448 nan 8.270 nan 0.000 0.397 643 P HA 0.000 nan 4.420 nan 0.000 0.216 643 P CA 0.000 63.127 63.100 0.044 0.000 0.800 643 P CB 0.000 31.726 31.700 0.044 0.000 0.726