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 2icf_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKSEKGR 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 NLRAEDLVGK 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 PQ 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 0.000 174.535 174.600 -0.108 0.000 1.055 1 S CA 0.000 58.163 58.200 -0.062 0.000 1.107 1 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 2 P HA 0.137 nan 4.420 nan 0.000 0.264 2 P C -0.451 176.557 177.300 -0.487 0.000 1.236 2 P CA -0.086 62.844 63.100 -0.283 0.000 0.811 2 P CB -0.148 31.349 31.700 -0.338 0.000 0.840 3 M N 5.032 124.463 119.600 -0.283 0.000 2.219 3 M HA 0.165 4.642 4.480 -0.005 0.000 0.353 3 M C -1.270 174.846 176.300 -0.306 0.000 1.304 3 M CA 0.062 55.223 55.300 -0.231 0.000 1.115 3 M CB 0.108 32.665 32.600 -0.071 0.000 1.664 3 M HN 0.167 nan 8.290 nan 0.000 0.459 4 Y N 3.621 123.840 120.300 -0.136 0.000 2.335 4 Y HA 0.421 4.968 4.550 -0.006 0.000 0.339 4 Y C 0.547 176.243 175.900 -0.340 0.000 0.987 4 Y CA -0.490 57.382 58.100 -0.380 0.000 1.140 4 Y CB 1.299 39.129 38.460 -1.050 0.000 1.173 4 Y HN 0.769 nan 8.280 nan 0.000 0.486 5 S N 2.737 118.453 115.700 0.027 0.000 2.747 5 S HA 0.816 5.283 4.470 -0.005 0.000 0.300 5 S C -0.978 173.599 174.600 -0.038 0.000 1.121 5 S CA -0.625 57.512 58.200 -0.104 0.000 0.995 5 S CB 1.822 65.091 63.200 0.115 0.000 1.113 5 S HN 0.600 nan 8.310 nan 0.000 0.547 6 I N 0.981 121.416 120.570 -0.224 0.000 2.604 6 I HA 0.420 4.587 4.170 -0.005 0.000 0.260 6 I C -2.185 173.847 176.117 -0.141 0.000 1.371 6 I CA -0.328 60.936 61.300 -0.061 0.000 1.015 6 I CB 0.388 38.403 38.000 0.024 0.000 1.395 6 I HN 0.649 nan 8.210 nan 0.000 0.498 7 I N 5.565 126.112 120.570 -0.039 0.000 2.385 7 I HA 0.778 4.945 4.170 -0.005 0.000 0.294 7 I C 0.721 176.880 176.117 0.069 0.000 0.988 7 I CA 0.035 61.342 61.300 0.011 0.000 1.265 7 I CB 1.711 39.806 38.000 0.158 0.000 1.388 7 I HN 0.645 nan 8.210 nan 0.000 0.480 8 T N 3.541 118.140 114.554 0.075 0.000 2.792 8 T HA 0.648 4.995 4.350 -0.005 0.000 0.303 8 T C -3.035 171.725 174.700 0.099 0.000 1.310 8 T CA -2.134 60.020 62.100 0.090 0.000 1.007 8 T CB 1.982 70.921 68.868 0.118 0.000 1.335 8 T HN 0.142 nan 8.240 nan 0.000 0.504 9 P HA 0.283 nan 4.420 nan 0.000 0.269 9 P C 0.508 177.860 177.300 0.086 0.000 1.215 9 P CA -0.142 63.012 63.100 0.090 0.000 0.780 9 P CB 0.303 32.044 31.700 0.067 0.000 0.898 10 N N 0.459 119.208 118.700 0.083 0.000 2.223 10 N HA -0.057 4.680 4.740 -0.005 0.000 0.185 10 N C 0.190 175.734 175.510 0.056 0.000 1.016 10 N CA 0.730 53.822 53.050 0.071 0.000 0.863 10 N CB -0.023 38.504 38.487 0.068 0.000 0.983 10 N HN 0.374 nan 8.380 nan 0.000 0.429 11 I N 1.106 121.702 120.570 0.043 0.000 2.619 11 I HA 0.307 4.474 4.170 -0.005 0.000 0.292 11 I C -1.187 174.937 176.117 0.012 0.000 1.100 11 I CA -0.653 60.658 61.300 0.019 0.000 1.043 11 I CB 2.398 40.397 38.000 -0.002 0.000 1.239 11 I HN -0.161 nan 8.210 nan 0.000 0.420 12 L N 4.925 126.154 121.223 0.009 0.000 2.341 12 L HA 0.627 4.964 4.340 -0.005 0.000 0.278 12 L C -0.144 176.696 176.870 -0.051 0.000 1.005 12 L CA -0.853 53.995 54.840 0.013 0.000 0.818 12 L CB 1.586 43.701 42.059 0.093 0.000 1.259 12 L HN 0.513 nan 8.230 nan 0.000 0.418 13 R N 1.641 122.083 120.500 -0.096 0.000 2.517 13 R HA 0.667 5.004 4.340 -0.005 0.000 0.250 13 R C -0.614 175.610 176.300 -0.128 0.000 1.213 13 R CA -0.480 55.530 56.100 -0.149 0.000 1.146 13 R CB 0.530 30.656 30.300 -0.290 0.000 1.279 13 R HN 0.465 nan 8.270 nan 0.000 0.597 14 L N 1.163 122.302 121.223 -0.139 0.000 2.331 14 L HA 0.352 4.689 4.340 -0.005 0.000 0.275 14 L C -0.184 176.630 176.870 -0.094 0.000 1.022 14 L CA -0.558 54.194 54.840 -0.147 0.000 0.812 14 L CB 1.399 43.352 42.059 -0.177 0.000 1.257 14 L HN 0.688 nan 8.230 nan 0.000 0.435 15 E N 1.478 121.630 120.200 -0.080 0.000 2.273 15 E HA -0.186 4.161 4.350 -0.005 0.000 0.177 15 E C -0.864 175.735 176.600 -0.002 0.000 1.511 15 E CA 0.541 56.910 56.400 -0.052 0.000 0.675 15 E CB -0.906 28.743 29.700 -0.086 0.000 1.094 15 E HN 0.638 nan 8.360 nan 0.000 0.348 16 S N 0.230 115.950 115.700 0.033 0.000 2.584 16 S HA 0.291 4.758 4.470 -0.005 0.000 0.280 16 S C -0.589 174.053 174.600 0.070 0.000 1.162 16 S CA -1.147 57.121 58.200 0.113 0.000 0.951 16 S CB 1.628 64.925 63.200 0.161 0.000 1.108 16 S HN 0.215 nan 8.310 nan 0.000 0.464 17 E N 2.002 122.223 120.200 0.036 0.000 2.299 17 E HA 0.175 4.522 4.350 -0.005 0.000 0.272 17 E C -0.482 176.091 176.600 -0.046 0.000 1.043 17 E CA 0.064 56.448 56.400 -0.027 0.000 0.895 17 E CB 0.488 30.155 29.700 -0.055 0.000 1.011 17 E HN 0.473 nan 8.360 nan 0.000 0.432 18 E N 2.946 123.044 120.200 -0.169 0.000 2.182 18 E HA 0.190 4.537 4.350 -0.005 0.000 0.258 18 E C -0.557 175.712 176.600 -0.552 0.000 0.879 18 E CA -0.416 55.850 56.400 -0.224 0.000 0.754 18 E CB 1.769 31.426 29.700 -0.071 0.000 1.162 18 E HN 0.323 nan 8.360 nan 0.000 0.419 19 T N 2.660 117.014 114.554 -0.333 0.000 2.813 19 T HA 0.461 4.808 4.350 -0.005 0.000 0.297 19 T C 0.588 175.129 174.700 -0.266 0.000 1.036 19 T CA -0.254 61.652 62.100 -0.323 0.000 1.044 19 T CB 0.486 69.261 68.868 -0.156 0.000 0.993 19 T HN 0.502 nan 8.240 nan 0.000 0.535 20 M N 1.186 120.677 119.600 -0.182 0.000 2.274 20 M HA 0.472 4.949 4.480 -0.005 0.000 0.272 20 M C -2.124 174.186 176.300 0.016 0.000 1.053 20 M CA -0.782 54.495 55.300 -0.040 0.000 0.978 20 M CB 1.316 33.937 32.600 0.035 0.000 1.836 20 M HN 0.298 nan 8.290 nan 0.000 0.484 21 V N 5.707 125.656 119.914 0.058 0.000 2.432 21 V HA 0.428 4.545 4.120 -0.005 0.000 0.275 21 V C -0.128 176.037 176.094 0.120 0.000 1.043 21 V CA -0.433 61.915 62.300 0.079 0.000 0.925 21 V CB 1.183 33.077 31.823 0.119 0.000 0.985 21 V HN 0.803 nan 8.190 nan 0.000 0.466 22 L N 5.541 126.832 121.223 0.112 0.000 2.296 22 L HA 0.664 5.001 4.340 -0.005 0.000 0.286 22 L C -0.115 176.880 176.870 0.209 0.000 1.023 22 L CA -0.358 54.600 54.840 0.196 0.000 0.812 22 L CB 1.219 43.307 42.059 0.048 0.000 1.223 22 L HN 0.641 nan 8.230 nan 0.000 0.421 23 E N 2.619 122.995 120.200 0.293 0.000 2.272 23 E HA 0.647 4.994 4.350 -0.005 0.000 0.269 23 E C -0.946 175.765 176.600 0.185 0.000 0.877 23 E CA -0.880 55.588 56.400 0.113 0.000 0.755 23 E CB 2.776 32.441 29.700 -0.058 0.000 1.192 23 E HN 0.632 nan 8.360 nan 0.000 0.422 24 A N 3.589 126.472 122.820 0.104 0.000 2.938 24 A HA 0.257 4.574 4.320 -0.005 0.000 0.344 24 A C -0.550 176.980 177.584 -0.090 0.000 1.142 24 A CA -0.633 51.491 52.037 0.146 0.000 0.841 24 A CB -0.063 19.159 19.000 0.370 0.000 1.083 24 A HN 0.579 nan 8.150 nan 0.000 0.479 25 H N 1.340 120.399 119.070 -0.017 0.000 2.790 25 H HA 0.045 4.598 4.556 -0.005 0.000 0.358 25 H C -0.223 175.096 175.328 -0.016 0.000 1.103 25 H CA 1.015 57.116 56.048 0.087 0.000 1.426 25 H CB 0.672 30.545 29.762 0.184 0.000 1.424 25 H HN 0.693 nan 8.280 nan 0.000 0.599 26 D N -0.834 119.686 120.400 0.200 0.000 2.751 26 D HA -0.160 4.477 4.640 -0.005 0.000 0.233 26 D C 0.163 176.449 176.300 -0.023 0.000 1.149 26 D CA 0.978 55.041 54.000 0.105 0.000 0.682 26 D CB -1.331 39.512 40.800 0.071 0.000 1.068 26 D HN 0.690 nan 8.370 nan 0.000 0.429 27 A N -0.168 122.549 122.820 -0.172 0.000 2.248 27 A HA 0.674 4.991 4.320 -0.005 0.000 0.316 27 A C 0.169 177.621 177.584 -0.220 0.000 1.101 27 A CA -0.498 51.333 52.037 -0.342 0.000 0.875 27 A CB 1.226 19.858 19.000 -0.613 0.000 1.207 27 A HN 0.008 nan 8.150 nan 0.000 0.504 28 Q N 0.198 119.931 119.800 -0.112 0.000 2.337 28 Q HA 0.515 4.852 4.340 -0.005 0.000 0.264 28 Q C -0.106 175.932 176.000 0.062 0.000 1.007 28 Q CA 0.283 56.103 55.803 0.028 0.000 0.727 28 Q CB 1.440 30.200 28.738 0.037 0.000 1.256 28 Q HN 1.865 nan 8.270 nan 0.000 0.467 29 G N 2.600 111.484 108.800 0.140 0.000 2.603 29 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.686 29 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.686 29 G C -1.199 173.788 174.900 0.144 0.000 1.286 29 G CA -1.114 44.061 45.100 0.125 0.000 0.871 29 G HN 0.500 nan 8.290 nan 0.000 0.568 30 D N -0.373 120.089 120.400 0.104 0.000 2.434 30 D HA 0.352 4.989 4.640 -0.005 0.000 0.252 30 D C 0.335 176.678 176.300 0.073 0.000 1.185 30 D CA 0.579 54.631 54.000 0.087 0.000 0.886 30 D CB 1.623 42.453 40.800 0.051 0.000 1.148 30 D HN 0.900 nan 8.370 nan 0.000 0.483 31 V N 5.630 125.591 119.914 0.079 0.000 2.325 31 V HA 0.358 4.474 4.120 -0.005 0.000 0.280 31 V C -2.407 173.679 176.094 -0.014 0.000 1.016 31 V CA -2.023 60.308 62.300 0.053 0.000 0.818 31 V CB 1.565 33.459 31.823 0.118 0.000 1.019 31 V HN 0.384 nan 8.190 nan 0.000 0.434 32 P HA 0.243 nan 4.420 nan 0.000 0.270 32 P C -0.975 176.227 177.300 -0.163 0.000 1.223 32 P CA 0.058 63.111 63.100 -0.079 0.000 0.785 32 P CB 1.169 32.838 31.700 -0.053 0.000 0.923 33 V N 1.273 121.071 119.914 -0.194 0.000 2.610 33 V HA 0.193 4.310 4.120 -0.005 0.000 0.298 33 V C -0.008 175.975 176.094 -0.185 0.000 1.067 33 V CA -0.447 61.675 62.300 -0.297 0.000 0.894 33 V CB 1.981 33.493 31.823 -0.520 0.000 1.015 33 V HN 0.529 nan 8.190 nan 0.000 0.432 34 T N 4.190 118.659 114.554 -0.142 0.000 2.909 34 T HA 0.614 4.961 4.350 -0.005 0.000 0.289 34 T C -0.255 174.396 174.700 -0.082 0.000 1.005 34 T CA -0.286 61.763 62.100 -0.085 0.000 1.084 34 T CB 1.750 70.588 68.868 -0.051 0.000 0.975 34 T HN 0.357 nan 8.240 nan 0.000 0.509 35 V N 2.566 122.452 119.914 -0.046 0.000 2.656 35 V HA 0.638 4.755 4.120 -0.005 0.000 0.307 35 V C -0.100 175.973 176.094 -0.036 0.000 1.051 35 V CA -0.560 61.730 62.300 -0.017 0.000 0.893 35 V CB 2.422 34.270 31.823 0.042 0.000 0.999 35 V HN 1.023 nan 8.190 nan 0.000 0.426 36 T N 3.470 117.995 114.554 -0.048 0.000 2.912 36 T HA 0.620 4.967 4.350 -0.005 0.000 0.299 36 T C -1.049 173.577 174.700 -0.123 0.000 1.052 36 T CA -0.404 61.645 62.100 -0.086 0.000 0.996 36 T CB 1.896 70.762 68.868 -0.003 0.000 1.070 36 T HN 0.335 nan 8.240 nan 0.000 0.465 37 V N 3.701 123.490 119.914 -0.209 0.000 2.538 37 V HA 0.258 4.375 4.120 -0.005 0.000 0.265 37 V C -0.669 175.348 176.094 -0.128 0.000 0.977 37 V CA -0.888 61.299 62.300 -0.190 0.000 0.852 37 V CB 0.242 31.823 31.823 -0.403 0.000 1.058 37 V HN 0.895 nan 8.190 nan 0.000 0.462 38 H N 2.538 121.600 119.070 -0.013 0.000 2.690 38 H HA 0.263 4.817 4.556 -0.004 0.000 0.365 38 H C 0.613 175.998 175.328 0.094 0.000 1.142 38 H CA 0.295 56.366 56.048 0.038 0.000 1.417 38 H CB 0.631 30.422 29.762 0.049 0.000 1.446 38 H HN 0.744 nan 8.280 nan 0.000 0.599 39 D N 1.452 121.989 120.400 0.228 0.000 2.354 39 D HA -0.105 4.531 4.640 -0.005 0.000 0.238 39 D C 0.292 176.750 176.300 0.263 0.000 1.250 39 D CA -0.161 53.957 54.000 0.196 0.000 0.911 39 D CB 0.625 41.427 40.800 0.003 0.000 1.163 39 D HN 0.173 nan 8.370 nan 0.000 0.456 40 F N 0.202 120.173 119.950 0.034 0.000 2.123 40 F HA 0.327 4.851 4.527 -0.006 0.000 0.257 40 F C -1.844 173.939 175.800 -0.027 0.000 0.967 40 F CA -1.873 56.140 58.000 0.022 0.000 1.152 40 F CB -0.927 38.117 39.000 0.074 0.000 1.869 40 F HN 0.163 nan 8.300 nan 0.000 0.562 41 P HA 0.305 nan 4.420 nan 0.000 0.267 41 P C -0.892 176.257 177.300 -0.252 0.000 1.209 41 P CA 0.705 63.453 63.100 -0.587 0.000 0.763 41 P CB 0.112 31.331 31.700 -0.801 0.000 0.816 42 G N 2.210 110.911 108.800 -0.165 0.000 2.932 42 G HA2 -0.153 3.804 3.960 -0.005 0.000 0.180 42 G HA3 -0.153 3.804 3.960 -0.005 0.000 0.180 42 G C -0.442 174.437 174.900 -0.035 0.000 1.072 42 G CA -0.828 44.216 45.100 -0.094 0.000 0.997 42 G HN 0.467 nan 8.290 nan 0.000 0.541 43 K N 1.241 121.629 120.400 -0.020 0.000 2.237 43 K HA 0.174 4.491 4.320 -0.005 0.000 0.283 43 K C 0.459 177.171 176.600 0.186 0.000 1.080 43 K CA 0.023 56.353 56.287 0.071 0.000 0.965 43 K CB 0.702 33.133 32.500 -0.115 0.000 1.098 43 K HN 0.258 nan 8.250 nan 0.000 0.434 44 K N 5.014 125.512 120.400 0.163 0.000 2.235 44 K HA 0.180 4.497 4.320 -0.005 0.000 0.266 44 K C -0.397 176.248 176.600 0.074 0.000 0.980 44 K CA -0.688 55.670 56.287 0.118 0.000 0.849 44 K CB 0.830 33.359 32.500 0.049 0.000 1.098 44 K HN 0.553 nan 8.250 nan 0.000 0.445 45 L N 3.647 124.829 121.223 -0.069 0.000 2.334 45 L HA 0.249 4.586 4.340 -0.005 0.000 0.286 45 L C 1.055 177.830 176.870 -0.159 0.000 1.108 45 L CA -0.832 53.803 54.840 -0.340 0.000 0.875 45 L CB 0.377 42.045 42.059 -0.651 0.000 1.246 45 L HN 0.371 nan 8.230 nan 0.000 0.439 46 V N 1.855 121.719 119.914 -0.084 0.000 3.305 46 V HA 0.137 4.254 4.120 -0.005 0.000 0.269 46 V C 0.698 176.747 176.094 -0.076 0.000 1.157 46 V CA 0.634 62.919 62.300 -0.024 0.000 1.157 46 V CB -0.444 31.426 31.823 0.079 0.000 0.772 46 V HN 0.783 nan 8.190 nan 0.000 0.498 47 L N -0.224 120.912 121.223 -0.145 0.000 2.408 47 L HA 0.331 4.668 4.340 -0.005 0.000 0.260 47 L C 0.991 177.759 176.870 -0.171 0.000 1.305 47 L CA 0.346 55.099 54.840 -0.145 0.000 0.850 47 L CB 1.172 43.127 42.059 -0.174 0.000 1.004 47 L HN 0.021 nan 8.230 nan 0.000 0.506 48 S N -0.120 115.495 115.700 -0.141 0.000 2.442 48 S HA -0.064 4.403 4.470 -0.005 0.000 0.236 48 S C 1.128 175.690 174.600 -0.064 0.000 1.007 48 S CA 1.216 59.348 58.200 -0.114 0.000 0.965 48 S CB 0.040 63.186 63.200 -0.091 0.000 0.773 48 S HN 0.702 nan 8.310 nan 0.000 0.504 49 S N 1.124 116.798 115.700 -0.044 0.000 2.572 49 S HA 0.103 4.570 4.470 -0.005 0.000 0.262 49 S C -0.623 173.991 174.600 0.024 0.000 1.375 49 S CA 0.158 58.355 58.200 -0.004 0.000 0.996 49 S CB -0.169 63.040 63.200 0.015 0.000 0.892 49 S HN 0.561 nan 8.310 nan 0.000 0.562 50 E N 0.138 120.355 120.200 0.027 0.000 7.527 50 E HA -0.123 4.224 4.350 -0.005 0.000 0.389 50 E C -1.070 175.534 176.600 0.006 0.000 0.568 50 E CA 0.649 57.070 56.400 0.035 0.000 1.067 50 E CB -1.434 28.323 29.700 0.096 0.000 0.942 50 E HN 0.827 nan 8.360 nan 0.000 0.262 51 K N -0.026 120.366 120.400 -0.014 0.000 2.533 51 K HA 0.877 5.194 4.320 -0.005 0.000 0.272 51 K C -0.353 176.220 176.600 -0.045 0.000 0.985 51 K CA -0.897 55.366 56.287 -0.040 0.000 0.876 51 K CB 2.910 35.386 32.500 -0.040 0.000 1.452 51 K HN 0.471 nan 8.250 nan 0.000 0.439 52 T N -0.642 113.871 114.554 -0.067 0.000 2.658 52 T HA 0.482 4.829 4.350 -0.005 0.000 0.305 52 T C -2.000 172.659 174.700 -0.068 0.000 1.551 52 T CA -0.446 61.619 62.100 -0.059 0.000 0.985 52 T CB 1.649 70.484 68.868 -0.055 0.000 1.731 52 T HN 0.854 nan 8.240 nan 0.000 0.486 53 V N 1.808 121.694 119.914 -0.046 0.000 2.462 53 V HA 0.596 4.713 4.120 -0.005 0.000 0.288 53 V C -0.390 175.700 176.094 -0.006 0.000 1.020 53 V CA -0.870 61.412 62.300 -0.029 0.000 0.857 53 V CB 1.049 32.863 31.823 -0.014 0.000 1.013 53 V HN 0.778 nan 8.190 nan 0.000 0.431 54 L N 5.426 126.656 121.223 0.012 0.000 2.395 54 L HA 0.308 4.645 4.340 -0.005 0.000 0.268 54 L C 1.289 178.234 176.870 0.124 0.000 1.223 54 L CA 0.085 54.964 54.840 0.064 0.000 1.093 54 L CB 0.073 42.195 42.059 0.106 0.000 1.349 54 L HN 0.951 nan 8.230 nan 0.000 0.427 55 T N -1.006 113.583 114.554 0.058 0.000 2.813 55 T HA 0.195 4.542 4.350 -0.005 0.000 0.297 55 T C -1.803 172.867 174.700 -0.050 0.000 1.036 55 T CA -1.521 60.604 62.100 0.042 0.000 1.044 55 T CB 0.887 69.756 68.868 0.001 0.000 0.993 55 T HN 0.196 nan 8.240 nan 0.000 0.535 56 P HA 0.268 nan 4.420 nan 0.000 0.249 56 P C 0.420 177.583 177.300 -0.228 0.000 1.241 56 P CA -0.017 62.862 63.100 -0.368 0.000 0.781 56 P CB -0.207 31.401 31.700 -0.153 0.000 1.088 57 A N -0.126 122.616 122.820 -0.130 0.000 2.532 57 A HA 0.276 4.593 4.320 -0.005 0.000 0.273 57 A C 1.029 178.561 177.584 -0.086 0.000 1.342 57 A CA 0.478 52.462 52.037 -0.088 0.000 0.929 57 A CB -0.841 18.129 19.000 -0.049 0.000 1.051 57 A HN 0.227 nan 8.150 nan 0.000 0.521 58 T N -4.545 109.934 114.554 -0.125 0.000 3.253 58 T HA 0.168 4.515 4.350 -0.005 0.000 0.299 58 T C 0.254 174.862 174.700 -0.154 0.000 0.927 58 T CA 0.107 62.142 62.100 -0.107 0.000 0.926 58 T CB -0.466 68.356 68.868 -0.076 0.000 1.183 58 T HN 0.319 nan 8.240 nan 0.000 0.557 59 N N 3.490 122.047 118.700 -0.238 0.000 2.681 59 N HA -0.214 4.523 4.740 -0.005 0.000 0.259 59 N C -0.523 174.842 175.510 -0.242 0.000 1.066 59 N CA 1.051 53.914 53.050 -0.312 0.000 0.717 59 N CB -1.368 37.000 38.487 -0.198 0.000 0.885 59 N HN 0.748 nan 8.380 nan 0.000 0.547 60 H N -2.518 116.518 119.070 -0.057 0.000 2.741 60 H HA -0.221 4.332 4.556 -0.005 0.000 0.305 60 H C 0.480 175.771 175.328 -0.062 0.000 1.169 60 H CA 1.406 57.434 56.048 -0.034 0.000 1.144 60 H CB -1.192 28.564 29.762 -0.010 0.000 1.397 60 H HN 0.527 nan 8.280 nan 0.000 0.409 61 M N 0.163 119.755 119.600 -0.012 0.000 2.311 61 M HA 0.553 5.030 4.480 -0.005 0.000 0.325 61 M C 0.566 176.861 176.300 -0.008 0.000 1.061 61 M CA 0.051 55.337 55.300 -0.023 0.000 0.957 61 M CB 2.204 34.760 32.600 -0.074 0.000 1.646 61 M HN 0.381 nan 8.290 nan 0.000 0.434 62 G N 2.396 111.200 108.800 0.007 0.000 2.706 62 G HA2 0.648 4.605 3.960 -0.005 0.000 0.307 62 G HA3 0.648 4.605 3.960 -0.005 0.000 0.307 62 G C -2.038 172.860 174.900 -0.003 0.000 1.307 62 G CA -0.603 44.493 45.100 -0.007 0.000 0.790 62 G HN 0.799 nan 8.290 nan 0.000 0.503 63 N N -2.933 115.755 118.700 -0.020 0.000 3.308 63 N HA 0.693 5.430 4.740 -0.005 0.000 0.276 63 N C -2.025 173.463 175.510 -0.037 0.000 1.533 63 N CA -0.632 52.404 53.050 -0.023 0.000 0.878 63 N CB 1.820 40.291 38.487 -0.027 0.000 1.566 63 N HN 0.881 nan 8.380 nan 0.000 0.546 64 V N -0.601 119.285 119.914 -0.047 0.000 3.012 64 V HA 0.784 4.901 4.120 -0.005 0.000 0.307 64 V C -1.241 174.768 176.094 -0.141 0.000 1.166 64 V CA -0.183 62.092 62.300 -0.042 0.000 0.974 64 V CB 2.098 33.936 31.823 0.025 0.000 1.040 64 V HN 1.154 nan 8.190 nan 0.000 0.428 65 T N 2.218 116.687 114.554 -0.142 0.000 2.841 65 T HA 0.850 5.197 4.350 -0.005 0.000 0.285 65 T C -1.041 173.563 174.700 -0.161 0.000 0.991 65 T CA -0.445 61.479 62.100 -0.292 0.000 0.966 65 T CB 1.252 70.011 68.868 -0.180 0.000 0.962 65 T HN 0.779 nan 8.240 nan 0.000 0.438 66 F N -0.421 119.521 119.950 -0.012 0.000 2.620 66 F HA 0.855 5.379 4.527 -0.005 0.000 0.320 66 F C -0.579 175.209 175.800 -0.019 0.000 1.069 66 F CA -1.357 56.633 58.000 -0.018 0.000 0.953 66 F CB 1.115 40.104 39.000 -0.019 0.000 1.322 66 F HN 0.470 nan 8.300 nan 0.000 0.479 67 T N 2.612 117.332 114.554 0.278 0.000 2.792 67 T HA 0.532 4.879 4.350 -0.005 0.000 0.280 67 T C -0.197 174.570 174.700 0.111 0.000 0.990 67 T CA -0.375 61.819 62.100 0.157 0.000 0.960 67 T CB 0.881 69.786 68.868 0.061 0.000 0.939 67 T HN 0.516 nan 8.240 nan 0.000 0.439 68 I N 6.813 127.423 120.570 0.067 0.000 2.379 68 I HA 0.220 4.387 4.170 -0.005 0.000 0.290 68 I C -1.859 174.191 176.117 -0.112 0.000 1.063 68 I CA -2.036 59.226 61.300 -0.062 0.000 1.351 68 I CB 0.958 38.880 38.000 -0.131 0.000 1.410 68 I HN 0.293 nan 8.210 nan 0.000 0.505 69 P HA 0.167 nan 4.420 nan 0.000 0.293 69 P C -0.424 176.814 177.300 -0.102 0.000 1.313 69 P CA -0.518 62.540 63.100 -0.070 0.000 0.787 69 P CB 1.397 33.085 31.700 -0.019 0.000 0.910 70 A N 4.222 126.979 122.820 -0.106 0.000 3.076 70 A HA 0.001 4.318 4.320 -0.005 0.000 0.269 70 A C 0.778 178.381 177.584 0.031 0.000 1.916 70 A CA -0.076 51.908 52.037 -0.089 0.000 1.492 70 A CB -1.496 17.464 19.000 -0.068 0.000 1.000 70 A HN 0.530 nan 8.150 nan 0.000 0.615 71 N N -0.016 118.748 118.700 0.107 0.000 2.263 71 N HA 0.061 4.798 4.740 -0.005 0.000 0.239 71 N C 1.199 176.791 175.510 0.136 0.000 1.317 71 N CA -0.361 52.767 53.050 0.130 0.000 0.909 71 N CB 0.398 38.983 38.487 0.162 0.000 1.171 71 N HN 0.518 nan 8.380 nan 0.000 0.492 72 R N 0.943 121.499 120.500 0.092 0.000 2.096 72 R HA -0.104 4.233 4.340 -0.005 0.000 0.235 72 R C 1.060 177.402 176.300 0.070 0.000 1.127 72 R CA 1.210 57.352 56.100 0.071 0.000 0.968 72 R CB -0.070 30.258 30.300 0.045 0.000 0.861 72 R HN 0.622 nan 8.270 nan 0.000 0.440 73 E N -0.465 119.776 120.200 0.067 0.000 2.489 73 E HA -0.030 4.317 4.350 -0.005 0.000 0.193 73 E C 0.607 177.184 176.600 -0.039 0.000 1.057 73 E CA 0.184 56.589 56.400 0.008 0.000 0.866 73 E CB 0.206 29.893 29.700 -0.023 0.000 0.916 73 E HN 0.279 nan 8.360 nan 0.000 0.500 74 F N 0.788 120.749 119.950 0.018 0.000 2.692 74 F HA 0.123 4.648 4.527 -0.005 0.000 0.303 74 F C 0.904 176.711 175.800 0.012 0.000 1.114 74 F CA 0.442 58.453 58.000 0.018 0.000 1.361 74 F CB 0.493 39.503 39.000 0.015 0.000 1.063 74 F HN -0.257 nan 8.300 nan 0.000 0.550 75 K N -0.970 119.514 120.400 0.141 0.000 2.934 75 K HA 0.141 4.458 4.320 -0.005 0.000 0.210 75 K C 1.027 177.653 176.600 0.044 0.000 1.122 75 K CA 0.153 56.494 56.287 0.090 0.000 1.033 75 K CB 0.524 33.072 32.500 0.081 0.000 0.779 75 K HN 0.102 nan 8.250 nan 0.000 0.459 76 S N -0.840 114.872 115.700 0.020 0.000 2.665 76 S HA 0.100 4.567 4.470 -0.005 0.000 0.240 76 S C 0.447 175.042 174.600 -0.010 0.000 1.081 76 S CA -0.342 57.856 58.200 -0.003 0.000 0.887 76 S CB 0.185 63.372 63.200 -0.022 0.000 0.805 76 S HN 0.139 nan 8.310 nan 0.000 0.486 77 E N 1.864 122.056 120.200 -0.014 0.000 2.561 77 E HA 0.332 4.679 4.350 -0.005 0.000 0.225 77 E C -1.266 175.335 176.600 0.000 0.000 1.035 77 E CA -0.159 56.233 56.400 -0.014 0.000 0.904 77 E CB 0.875 30.559 29.700 -0.027 0.000 1.291 77 E HN 0.279 nan 8.360 nan 0.000 0.444 78 K N 1.250 121.651 120.400 0.001 0.000 2.263 78 K HA 0.394 4.711 4.320 -0.005 0.000 0.282 78 K C 0.377 176.973 176.600 -0.008 0.000 1.089 78 K CA -0.264 56.023 56.287 0.001 0.000 0.907 78 K CB 0.994 33.493 32.500 -0.002 0.000 1.148 78 K HN 0.663 nan 8.250 nan 0.000 0.470 79 G N 2.817 111.612 108.800 -0.008 0.000 2.245 79 G HA2 -0.106 3.851 3.960 -0.005 0.000 0.116 79 G HA3 -0.106 3.851 3.960 -0.005 0.000 0.116 79 G C 0.224 175.117 174.900 -0.012 0.000 1.054 79 G CA -0.637 44.453 45.100 -0.016 0.000 0.728 79 G HN 0.538 nan 8.290 nan 0.000 0.483 80 R N 0.054 120.549 120.500 -0.008 0.000 2.504 80 R HA 0.149 4.486 4.340 -0.005 0.000 0.341 80 R C 0.428 176.720 176.300 -0.013 0.000 0.905 80 R CA 0.273 56.372 56.100 -0.001 0.000 1.133 80 R CB -0.052 30.258 30.300 0.016 0.000 1.704 80 R HN 0.660 nan 8.270 nan 0.000 0.503 81 N N 1.915 120.587 118.700 -0.045 0.000 3.118 81 N HA -0.108 4.629 4.740 -0.005 0.000 0.273 81 N C -0.778 174.623 175.510 -0.183 0.000 1.781 81 N CA 0.372 53.343 53.050 -0.132 0.000 1.752 81 N CB 0.150 38.529 38.487 -0.179 0.000 0.755 81 N HN -0.066 nan 8.380 nan 0.000 0.493 82 K N 1.070 121.388 120.400 -0.138 0.000 2.440 82 K HA 0.646 4.963 4.320 -0.005 0.000 0.252 82 K C -0.369 176.122 176.600 -0.183 0.000 1.044 82 K CA 0.172 56.451 56.287 -0.013 0.000 0.962 82 K CB 0.443 33.081 32.500 0.230 0.000 1.269 82 K HN 0.310 nan 8.250 nan 0.000 0.505 83 F N -1.074 119.002 119.950 0.210 0.000 2.703 83 F HA 0.206 4.731 4.527 -0.003 0.000 0.308 83 F C -0.828 175.080 175.800 0.180 0.000 1.126 83 F CA -1.013 57.077 58.000 0.151 0.000 0.959 83 F CB 1.360 40.444 39.000 0.141 0.000 1.297 83 F HN 0.218 nan 8.300 nan 0.000 0.441 84 V N -1.340 118.780 119.914 0.342 0.000 3.102 84 V HA 0.895 5.011 4.120 -0.005 0.000 0.312 84 V C -0.580 175.504 176.094 -0.016 0.000 1.135 84 V CA -0.732 61.685 62.300 0.195 0.000 1.022 84 V CB 1.584 33.510 31.823 0.171 0.000 1.056 84 V HN 0.713 nan 8.190 nan 0.000 0.436 85 T N 1.170 115.739 114.554 0.025 0.000 2.945 85 T HA 0.716 5.063 4.350 -0.005 0.000 0.286 85 T C -0.741 173.964 174.700 0.009 0.000 1.025 85 T CA -0.414 61.670 62.100 -0.027 0.000 1.039 85 T CB 1.747 70.638 68.868 0.039 0.000 1.068 85 T HN 0.731 nan 8.240 nan 0.000 0.497 86 V N 2.851 122.763 119.914 -0.004 0.000 2.398 86 V HA 0.334 4.451 4.120 -0.005 0.000 0.282 86 V C -0.155 175.957 176.094 0.029 0.000 1.014 86 V CA -0.692 61.607 62.300 -0.001 0.000 0.838 86 V CB 1.306 33.138 31.823 0.015 0.000 1.018 86 V HN 0.829 nan 8.190 nan 0.000 0.432 87 Q N 3.925 123.754 119.800 0.049 0.000 2.423 87 Q HA 0.561 4.897 4.340 -0.005 0.000 0.235 87 Q C 0.147 176.184 176.000 0.063 0.000 1.100 87 Q CA -0.444 55.397 55.803 0.062 0.000 0.908 87 Q CB 1.015 29.809 28.738 0.094 0.000 1.312 87 Q HN 0.852 nan 8.270 nan 0.000 0.497 88 A N 4.223 127.100 122.820 0.096 0.000 2.666 88 A HA 0.274 4.591 4.320 -0.005 0.000 0.312 88 A C -0.162 177.547 177.584 0.209 0.000 1.471 88 A CA -0.396 51.734 52.037 0.155 0.000 1.134 88 A CB 0.221 19.394 19.000 0.288 0.000 1.129 88 A HN 0.660 nan 8.150 nan 0.000 0.539 89 T N 2.514 117.114 114.554 0.076 0.000 2.737 89 T HA 0.298 4.645 4.350 -0.005 0.000 0.296 89 T C -0.111 174.581 174.700 -0.015 0.000 0.922 89 T CA 0.510 62.645 62.100 0.059 0.000 1.079 89 T CB -0.227 68.642 68.868 0.002 0.000 0.892 89 T HN 0.413 nan 8.240 nan 0.000 0.514 90 F N 2.861 122.699 119.950 -0.186 0.000 2.983 90 F HA 0.432 4.956 4.527 -0.005 0.000 0.307 90 F C 1.600 177.238 175.800 -0.271 0.000 1.218 90 F CA -0.194 57.622 58.000 -0.308 0.000 1.323 90 F CB 0.007 38.612 39.000 -0.658 0.000 0.989 90 F HN 0.963 nan 8.300 nan 0.000 0.509 91 G N 0.356 109.127 108.800 -0.049 0.000 3.597 91 G HA2 -0.350 3.607 3.960 -0.005 0.000 0.256 91 G HA3 -0.350 3.607 3.960 -0.005 0.000 0.256 91 G C 1.002 175.891 174.900 -0.018 0.000 1.792 91 G CA 0.322 45.399 45.100 -0.038 0.000 1.219 91 G HN 0.207 nan 8.290 nan 0.000 0.577 92 T N 0.687 115.233 114.554 -0.013 0.000 3.051 92 T HA 0.302 4.649 4.350 -0.005 0.000 0.255 92 T C 1.017 175.716 174.700 -0.002 0.000 1.085 92 T CA 1.974 64.073 62.100 -0.001 0.000 1.109 92 T CB -0.092 68.782 68.868 0.009 0.000 0.921 92 T HN 0.499 nan 8.240 nan 0.000 0.488 93 Q N 1.211 120.999 119.800 -0.019 0.000 2.235 93 Q HA 0.550 4.887 4.340 -0.005 0.000 0.250 93 Q C -1.234 174.773 176.000 0.011 0.000 0.909 93 Q CA -0.276 55.512 55.803 -0.024 0.000 0.910 93 Q CB 1.724 30.400 28.738 -0.104 0.000 1.223 93 Q HN 0.167 nan 8.270 nan 0.000 0.432 94 V N 4.366 124.289 119.914 0.015 0.000 2.709 94 V HA 0.717 4.834 4.120 -0.005 0.000 0.308 94 V C -1.594 174.513 176.094 0.023 0.000 1.062 94 V CA -0.558 61.769 62.300 0.045 0.000 0.901 94 V CB 2.233 34.074 31.823 0.031 0.000 1.003 94 V HN 0.584 nan 8.190 nan 0.000 0.425 95 V N 7.444 127.387 119.914 0.048 0.000 2.454 95 V HA 0.398 4.515 4.120 -0.005 0.000 0.267 95 V C 0.005 176.111 176.094 0.021 0.000 0.993 95 V CA -0.452 61.849 62.300 0.003 0.000 0.836 95 V CB 1.134 32.918 31.823 -0.064 0.000 1.055 95 V HN 1.003 nan 8.190 nan 0.000 0.452 96 E N 3.618 123.821 120.200 0.005 0.000 2.267 96 E HA 0.836 5.183 4.350 -0.005 0.000 0.258 96 E C -0.660 175.923 176.600 -0.028 0.000 1.074 96 E CA -1.021 55.379 56.400 0.001 0.000 0.915 96 E CB 2.605 32.307 29.700 0.004 0.000 1.186 96 E HN 0.349 nan 8.360 nan 0.000 0.439 97 K N -0.031 120.343 120.400 -0.043 0.000 2.625 97 K HA 0.304 4.621 4.320 -0.005 0.000 0.284 97 K C -2.206 174.325 176.600 -0.115 0.000 0.984 97 K CA -0.660 55.585 56.287 -0.070 0.000 0.865 97 K CB 1.969 34.439 32.500 -0.051 0.000 1.468 97 K HN 0.394 nan 8.250 nan 0.000 0.407 98 V N 2.460 122.270 119.914 -0.173 0.000 2.435 98 V HA 0.687 4.804 4.120 -0.005 0.000 0.290 98 V C -0.665 175.360 176.094 -0.116 0.000 1.030 98 V CA -0.848 61.274 62.300 -0.296 0.000 0.881 98 V CB 1.421 32.886 31.823 -0.596 0.000 0.983 98 V HN 0.510 nan 8.190 nan 0.000 0.445 99 V N 5.234 125.151 119.914 0.005 0.000 2.656 99 V HA 0.456 4.573 4.120 -0.005 0.000 0.307 99 V C -0.193 176.080 176.094 0.300 0.000 1.051 99 V CA -0.688 61.694 62.300 0.137 0.000 0.893 99 V CB 1.930 33.808 31.823 0.092 0.000 0.999 99 V HN 0.718 nan 8.190 nan 0.000 0.426 100 L N 4.782 126.134 121.223 0.214 0.000 2.464 100 L HA 0.557 4.894 4.340 -0.005 0.000 0.264 100 L C -0.339 176.488 176.870 -0.071 0.000 1.199 100 L CA 0.587 55.374 54.840 -0.087 0.000 0.818 100 L CB 1.348 43.337 42.059 -0.118 0.000 1.102 100 L HN 0.482 nan 8.230 nan 0.000 0.473 101 V N 2.877 122.699 119.914 -0.154 0.000 2.532 101 V HA 0.367 4.484 4.120 -0.005 0.000 0.294 101 V C -0.394 175.654 176.094 -0.077 0.000 1.036 101 V CA -0.518 61.745 62.300 -0.061 0.000 0.876 101 V CB 1.500 33.342 31.823 0.031 0.000 1.012 101 V HN 0.894 nan 8.190 nan 0.000 0.432 102 S N 5.660 121.316 115.700 -0.072 0.000 2.586 102 S HA 0.582 5.049 4.470 -0.005 0.000 0.274 102 S C 0.788 175.348 174.600 -0.067 0.000 1.281 102 S CA -0.727 57.437 58.200 -0.060 0.000 1.035 102 S CB 1.418 64.590 63.200 -0.047 0.000 0.962 102 S HN 0.378 nan 8.310 nan 0.000 0.512 103 L N 0.933 122.129 121.223 -0.044 0.000 1.995 103 L HA 0.140 4.477 4.340 -0.005 0.000 0.206 103 L C 0.714 177.561 176.870 -0.039 0.000 1.098 103 L CA 1.157 55.969 54.840 -0.045 0.000 0.762 103 L CB -2.260 39.794 42.059 -0.008 0.000 0.900 103 L HN 0.772 nan 8.230 nan 0.000 0.441 104 Q N 0.385 120.193 119.800 0.014 0.000 2.439 104 Q HA -0.185 4.152 4.340 -0.005 0.000 0.361 104 Q C 1.318 177.327 176.000 0.016 0.000 1.408 104 Q CA 0.752 56.591 55.803 0.061 0.000 1.052 104 Q CB -1.884 26.881 28.738 0.044 0.000 1.233 104 Q HN 0.307 nan 8.270 nan 0.000 0.347 105 S N -1.384 114.313 115.700 -0.005 0.000 2.369 105 S HA -0.008 4.459 4.470 -0.005 0.000 0.225 105 S C 1.053 175.580 174.600 -0.122 0.000 1.043 105 S CA 1.336 59.437 58.200 -0.165 0.000 1.074 105 S CB 0.020 62.933 63.200 -0.478 0.000 0.962 105 S HN 0.878 nan 8.310 nan 0.000 0.433 106 G N -1.492 107.279 108.800 -0.049 0.000 2.677 106 G HA2 0.540 4.497 3.960 -0.005 0.000 0.283 106 G HA3 0.540 4.497 3.960 -0.005 0.000 0.283 106 G C -1.836 173.183 174.900 0.198 0.000 1.221 106 G CA -0.756 44.314 45.100 -0.051 0.000 0.851 106 G HN 0.127 nan 8.290 nan 0.000 0.504 107 Y N -0.488 119.932 120.300 0.200 0.000 2.453 107 Y HA 0.820 5.366 4.550 -0.005 0.000 0.326 107 Y C 0.473 176.045 175.900 -0.547 0.000 1.186 107 Y CA -1.331 56.648 58.100 -0.201 0.000 1.200 107 Y CB 1.391 39.796 38.460 -0.093 0.000 1.247 107 Y HN 0.265 nan 8.280 nan 0.000 0.482 108 L N 1.929 122.214 121.223 -1.562 0.000 2.388 108 L HA 0.609 4.946 4.340 -0.005 0.000 0.264 108 L C -1.528 174.564 176.870 -1.296 0.000 0.998 108 L CA -0.687 53.469 54.840 -1.140 0.000 0.817 108 L CB 2.109 43.582 42.059 -0.977 0.000 1.338 108 L HN 0.484 nan 8.230 nan 0.000 0.414 109 F N 2.428 122.267 119.950 -0.186 0.000 2.588 109 F HA 0.589 5.113 4.527 -0.005 0.000 0.310 109 F C -0.306 175.500 175.800 0.009 0.000 1.082 109 F CA -0.576 57.412 58.000 -0.019 0.000 0.929 109 F CB 2.073 41.131 39.000 0.098 0.000 1.254 109 F HN 0.087 nan 8.300 nan 0.000 0.455 110 I N 2.337 123.024 120.570 0.195 0.000 2.468 110 I HA 0.255 4.422 4.170 -0.005 0.000 0.284 110 I C -0.866 175.316 176.117 0.108 0.000 1.038 110 I CA -0.552 60.795 61.300 0.078 0.000 1.083 110 I CB 1.864 39.907 38.000 0.072 0.000 1.223 110 I HN 0.575 nan 8.210 nan 0.000 0.443 111 Q N 4.924 124.750 119.800 0.042 0.000 2.279 111 Q HA 0.334 4.671 4.340 -0.005 0.000 0.256 111 Q C -0.187 175.868 176.000 0.092 0.000 0.937 111 Q CA -0.426 55.435 55.803 0.097 0.000 0.933 111 Q CB 1.390 30.192 28.738 0.107 0.000 1.189 111 Q HN 0.727 nan 8.270 nan 0.000 0.417 112 T N -0.293 114.335 114.554 0.123 0.000 2.849 112 T HA 0.067 4.414 4.350 -0.005 0.000 0.284 112 T C 0.875 175.696 174.700 0.202 0.000 1.004 112 T CA -0.471 61.714 62.100 0.140 0.000 1.021 112 T CB 0.803 69.787 68.868 0.194 0.000 1.013 112 T HN 0.729 nan 8.240 nan 0.000 0.527 113 D N -0.159 120.409 120.400 0.280 0.000 2.323 113 D HA 0.015 4.652 4.640 -0.005 0.000 0.209 113 D C 0.544 176.956 176.300 0.186 0.000 0.973 113 D CA 0.484 54.622 54.000 0.229 0.000 0.874 113 D CB 0.417 41.342 40.800 0.207 0.000 0.930 113 D HN 0.553 nan 8.370 nan 0.000 0.521 114 K N -1.113 119.419 120.400 0.220 0.000 2.152 114 K HA 0.288 4.605 4.320 -0.005 0.000 0.257 114 K C 0.367 177.057 176.600 0.150 0.000 0.961 114 K CA -0.198 56.090 56.287 0.001 0.000 0.816 114 K CB 1.075 33.302 32.500 -0.454 0.000 1.501 114 K HN -0.063 nan 8.250 nan 0.000 0.417 115 T N -1.839 112.764 114.554 0.083 0.000 3.004 115 T HA 0.396 4.743 4.350 -0.005 0.000 0.266 115 T C 0.372 175.205 174.700 0.223 0.000 0.986 115 T CA -0.188 62.044 62.100 0.221 0.000 0.902 115 T CB 0.177 69.165 68.868 0.199 0.000 1.118 115 T HN 0.445 nan 8.240 nan 0.000 0.522 116 I N 0.537 121.123 120.570 0.025 0.000 2.680 116 I HA 0.557 4.724 4.170 -0.005 0.000 0.291 116 I C -2.161 173.989 176.117 0.055 0.000 1.244 116 I CA -1.351 60.022 61.300 0.120 0.000 1.042 116 I CB 1.981 39.966 38.000 -0.025 0.000 1.277 116 I HN 0.103 nan 8.210 nan 0.000 0.423 117 Y N 4.044 124.508 120.300 0.272 0.000 2.462 117 Y HA 0.500 5.047 4.550 -0.005 0.000 0.346 117 Y C 0.259 176.216 175.900 0.095 0.000 0.976 117 Y CA -0.849 57.376 58.100 0.207 0.000 1.044 117 Y CB 2.353 40.901 38.460 0.147 0.000 1.230 117 Y HN 0.500 nan 8.280 nan 0.000 0.455 118 T N 0.773 115.363 114.554 0.060 0.000 2.889 118 T HA 0.363 4.709 4.350 -0.005 0.000 0.291 118 T C -2.790 171.848 174.700 -0.103 0.000 0.995 118 T CA -2.326 59.670 62.100 -0.173 0.000 1.092 118 T CB 1.052 69.647 68.868 -0.455 0.000 0.954 118 T HN 0.195 nan 8.240 nan 0.000 0.506 119 P HA 0.246 nan 4.420 nan 0.000 0.264 119 P C 1.174 178.393 177.300 -0.135 0.000 1.183 119 P CA 1.063 64.087 63.100 -0.127 0.000 0.763 119 P CB 0.137 31.781 31.700 -0.094 0.000 0.807 120 G N 1.604 110.305 108.800 -0.164 0.000 2.194 120 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.236 120 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.236 120 G C 0.237 175.054 174.900 -0.138 0.000 0.987 120 G CA 0.203 45.215 45.100 -0.147 0.000 0.635 120 G HN 0.768 nan 8.290 nan 0.000 0.520 121 S N -0.008 115.617 115.700 -0.125 0.000 2.616 121 S HA 0.694 5.161 4.470 -0.005 0.000 0.277 121 S C 0.003 174.528 174.600 -0.124 0.000 1.234 121 S CA 0.155 58.315 58.200 -0.066 0.000 1.028 121 S CB 2.042 65.265 63.200 0.039 0.000 0.988 121 S HN 0.448 nan 8.310 nan 0.000 0.522 122 T N 2.293 116.800 114.554 -0.079 0.000 2.771 122 T HA 0.369 4.716 4.350 -0.005 0.000 0.291 122 T C -0.150 174.504 174.700 -0.075 0.000 0.954 122 T CA -0.471 61.555 62.100 -0.125 0.000 1.045 122 T CB 0.700 69.528 68.868 -0.067 0.000 0.917 122 T HN 0.525 nan 8.240 nan 0.000 0.484 123 V N 5.931 125.695 119.914 -0.249 0.000 2.488 123 V HA 0.278 4.395 4.120 -0.005 0.000 0.277 123 V C 0.085 176.145 176.094 -0.056 0.000 1.046 123 V CA -0.503 61.562 62.300 -0.393 0.000 0.986 123 V CB 0.494 31.823 31.823 -0.822 0.000 0.989 123 V HN 0.666 nan 8.190 nan 0.000 0.475 124 L N 7.618 128.883 121.223 0.069 0.000 2.272 124 L HA 0.613 4.950 4.340 -0.005 0.000 0.289 124 L C -0.484 176.497 176.870 0.185 0.000 1.032 124 L CA -0.407 54.516 54.840 0.138 0.000 0.810 124 L CB 0.523 42.648 42.059 0.110 0.000 1.205 124 L HN 0.746 nan 8.230 nan 0.000 0.422 125 Y N 0.866 121.108 120.300 -0.096 0.000 2.553 125 Y HA 0.807 5.354 4.550 -0.005 0.000 0.347 125 Y C -0.862 174.941 175.900 -0.162 0.000 1.019 125 Y CA -1.341 56.679 58.100 -0.132 0.000 1.032 125 Y CB 1.709 40.055 38.460 -0.190 0.000 1.284 125 Y HN 0.387 nan 8.280 nan 0.000 0.466 126 R N 3.720 124.073 120.500 -0.246 0.000 2.513 126 R HA 0.568 4.905 4.340 -0.005 0.000 0.301 126 R C -1.542 174.387 176.300 -0.618 0.000 0.968 126 R CA -0.827 54.984 56.100 -0.481 0.000 0.872 126 R CB 2.358 32.348 30.300 -0.517 0.000 1.177 126 R HN 0.771 nan 8.270 nan 0.000 0.444 127 I N 4.202 124.420 120.570 -0.587 0.000 2.339 127 I HA 0.308 4.475 4.170 -0.005 0.000 0.290 127 I C -0.745 175.128 176.117 -0.408 0.000 0.994 127 I CA -0.622 60.415 61.300 -0.439 0.000 1.191 127 I CB 0.938 38.770 38.000 -0.279 0.000 1.343 127 I HN 0.336 nan 8.210 nan 0.000 0.458 128 F N 3.564 123.518 119.950 0.007 0.000 2.408 128 F HA 0.345 4.868 4.527 -0.005 0.000 0.344 128 F C 0.850 176.685 175.800 0.059 0.000 1.112 128 F CA -0.855 57.166 58.000 0.035 0.000 1.096 128 F CB 1.692 40.725 39.000 0.055 0.000 1.129 128 F HN 0.324 nan 8.300 nan 0.000 0.486 129 T N 1.298 116.000 114.554 0.247 0.000 2.791 129 T HA 0.735 5.082 4.350 -0.005 0.000 0.288 129 T C -0.861 173.986 174.700 0.244 0.000 0.999 129 T CA -0.701 61.536 62.100 0.229 0.000 0.952 129 T CB 0.832 69.832 68.868 0.220 0.000 0.938 129 T HN 0.679 nan 8.240 nan 0.000 0.444 130 V N 1.144 121.225 119.914 0.278 0.000 2.851 130 V HA 0.734 4.851 4.120 -0.005 0.000 0.307 130 V C -0.598 175.530 176.094 0.056 0.000 1.129 130 V CA -1.452 60.934 62.300 0.143 0.000 0.932 130 V CB 1.393 33.301 31.823 0.141 0.000 1.024 130 V HN 1.092 nan 8.190 nan 0.000 0.426 131 N N 2.725 121.381 118.700 -0.074 0.000 2.525 131 N HA 0.188 4.924 4.740 -0.005 0.000 0.271 131 N C 1.161 176.471 175.510 -0.335 0.000 1.194 131 N CA 0.269 53.206 53.050 -0.190 0.000 0.964 131 N CB 0.298 38.655 38.487 -0.217 0.000 1.126 131 N HN 0.963 nan 8.380 nan 0.000 0.452 132 H N 0.637 119.460 119.070 -0.412 0.000 2.538 132 H HA -0.145 4.408 4.556 -0.005 0.000 0.294 132 H C 0.008 175.219 175.328 -0.196 0.000 1.083 132 H CA 1.138 56.811 56.048 -0.625 0.000 1.233 132 H CB -0.215 29.253 29.762 -0.490 0.000 1.360 132 H HN 0.672 nan 8.280 nan 0.000 0.571 133 K N 0.921 121.014 120.400 -0.511 0.000 2.525 133 K HA 0.154 4.471 4.320 -0.005 0.000 0.192 133 K C 0.848 177.402 176.600 -0.077 0.000 1.029 133 K CA 0.286 56.443 56.287 -0.216 0.000 1.029 133 K CB 0.336 32.681 32.500 -0.257 0.000 0.814 133 K HN 0.184 nan 8.250 nan 0.000 0.503 134 L N 0.285 121.466 121.223 -0.071 0.000 4.429 134 L HA -0.262 4.075 4.340 -0.005 0.000 0.422 134 L C -0.111 176.724 176.870 -0.059 0.000 1.149 134 L CA 0.174 55.001 54.840 -0.022 0.000 0.972 134 L CB -1.562 40.470 42.059 -0.046 0.000 2.059 134 L HN 0.238 nan 8.230 nan 0.000 0.870 135 L N 0.223 121.399 121.223 -0.078 0.000 2.475 135 L HA 0.384 4.721 4.340 -0.005 0.000 0.253 135 L C -1.762 175.081 176.870 -0.044 0.000 1.198 135 L CA -1.608 53.192 54.840 -0.067 0.000 0.814 135 L CB 0.207 42.218 42.059 -0.080 0.000 1.134 135 L HN -0.205 nan 8.230 nan 0.000 0.478 136 P HA 0.359 nan 4.420 nan 0.000 0.284 136 P C -1.077 176.219 177.300 -0.006 0.000 1.258 136 P CA -0.283 62.817 63.100 0.000 0.000 0.824 136 P CB 1.957 33.656 31.700 -0.001 0.000 1.038 137 V N 0.766 120.692 119.914 0.019 0.000 3.204 137 V HA 0.760 4.877 4.120 -0.005 0.000 0.298 137 V C -0.873 175.241 176.094 0.033 0.000 1.328 137 V CA -0.717 61.584 62.300 0.001 0.000 1.035 137 V CB 2.280 34.079 31.823 -0.040 0.000 1.095 137 V HN 0.710 nan 8.190 nan 0.000 0.442 138 G N 3.371 112.180 108.800 0.015 0.000 2.335 138 G HA2 0.797 4.754 3.960 -0.005 0.000 0.316 138 G HA3 0.797 4.754 3.960 -0.005 0.000 0.316 138 G C -0.629 174.289 174.900 0.031 0.000 1.129 138 G CA -0.420 44.699 45.100 0.032 0.000 0.899 138 G HN 0.841 nan 8.290 nan 0.000 0.448 139 R N 0.371 120.920 120.500 0.081 0.000 3.142 139 R HA 0.596 4.933 4.340 -0.005 0.000 0.260 139 R C -1.108 175.269 176.300 0.129 0.000 1.129 139 R CA -0.803 55.355 56.100 0.098 0.000 0.976 139 R CB 1.232 31.599 30.300 0.112 0.000 1.396 139 R HN 0.514 nan 8.270 nan 0.000 0.434 140 T N 1.054 115.711 114.554 0.172 0.000 2.881 140 T HA 0.522 4.869 4.350 -0.005 0.000 0.290 140 T C -0.964 173.828 174.700 0.153 0.000 1.000 140 T CA -0.674 61.500 62.100 0.123 0.000 0.978 140 T CB 1.994 70.915 68.868 0.088 0.000 0.997 140 T HN 0.211 nan 8.240 nan 0.000 0.443 141 V N 3.354 123.292 119.914 0.040 0.000 2.482 141 V HA 0.422 4.539 4.120 -0.005 0.000 0.295 141 V C -0.503 175.491 176.094 -0.167 0.000 1.026 141 V CA -0.909 61.352 62.300 -0.065 0.000 0.856 141 V CB 1.434 33.165 31.823 -0.152 0.000 1.001 141 V HN 0.839 nan 8.190 nan 0.000 0.424 142 M N 5.109 124.523 119.600 -0.311 0.000 2.184 142 M HA 0.376 4.853 4.480 -0.005 0.000 0.351 142 M C -0.437 175.534 176.300 -0.547 0.000 1.395 142 M CA 0.372 55.385 55.300 -0.478 0.000 1.117 142 M CB 1.039 33.192 32.600 -0.746 0.000 1.708 142 M HN 0.438 nan 8.290 nan 0.000 0.468 143 V N 4.783 124.515 119.914 -0.304 0.000 2.376 143 V HA 0.411 4.528 4.120 -0.005 0.000 0.287 143 V C -0.327 175.676 176.094 -0.153 0.000 1.015 143 V CA -0.935 61.243 62.300 -0.204 0.000 0.834 143 V CB 1.294 33.056 31.823 -0.101 0.000 1.001 143 V HN 0.826 nan 8.190 nan 0.000 0.428 144 N N 3.890 122.504 118.700 -0.143 0.000 2.492 144 N HA 0.696 5.433 4.740 -0.005 0.000 0.289 144 N C -0.940 174.489 175.510 -0.135 0.000 1.133 144 N CA -0.697 52.286 53.050 -0.111 0.000 0.961 144 N CB 1.879 40.335 38.487 -0.051 0.000 1.186 144 N HN 0.568 nan 8.380 nan 0.000 0.493 145 I N 0.999 121.450 120.570 -0.198 0.000 2.448 145 I HA 0.238 4.405 4.170 -0.005 0.000 0.281 145 I C -0.522 175.549 176.117 -0.076 0.000 1.027 145 I CA -0.391 60.759 61.300 -0.249 0.000 1.111 145 I CB 1.440 39.009 38.000 -0.718 0.000 1.236 145 I HN 0.455 nan 8.210 nan 0.000 0.452 146 E N 5.435 125.653 120.200 0.030 0.000 2.191 146 E HA 0.240 4.587 4.350 -0.005 0.000 0.278 146 E C -0.511 175.971 176.600 -0.195 0.000 0.972 146 E CA -0.740 55.637 56.400 -0.038 0.000 0.804 146 E CB 1.418 31.089 29.700 -0.048 0.000 1.110 146 E HN 0.626 nan 8.360 nan 0.000 0.394 147 N N 4.047 122.416 118.700 -0.551 0.000 2.463 147 N HA 0.183 4.920 4.740 -0.005 0.000 0.270 147 N C -2.085 172.876 175.510 -0.915 0.000 1.205 147 N CA -1.507 50.670 53.050 -1.455 0.000 0.974 147 N CB 0.454 38.244 38.487 -1.162 0.000 1.197 147 N HN 0.138 nan 8.380 nan 0.000 0.504 148 P HA -0.295 nan 4.420 nan 0.000 0.227 148 P C 0.727 177.840 177.300 -0.312 0.000 1.141 148 P CA 2.638 65.425 63.100 -0.521 0.000 0.964 148 P CB -0.072 31.387 31.700 -0.402 0.000 0.784 149 E N -1.763 118.276 120.200 -0.269 0.000 2.482 149 E HA 0.087 4.434 4.350 -0.005 0.000 0.196 149 E C 1.065 177.580 176.600 -0.143 0.000 1.047 149 E CA 0.823 57.123 56.400 -0.166 0.000 0.869 149 E CB -0.660 28.965 29.700 -0.125 0.000 0.836 149 E HN 0.314 nan 8.360 nan 0.000 0.520 150 G N 1.296 109.991 108.800 -0.176 0.000 2.135 150 G HA2 -0.139 3.818 3.960 -0.005 0.000 0.183 150 G HA3 -0.139 3.818 3.960 -0.005 0.000 0.183 150 G C -0.103 174.731 174.900 -0.109 0.000 1.004 150 G CA -0.178 44.845 45.100 -0.127 0.000 0.677 150 G HN 0.212 nan 8.290 nan 0.000 0.512 151 I N 1.739 122.225 120.570 -0.140 0.000 2.389 151 I HA 0.343 4.510 4.170 -0.005 0.000 0.288 151 I C -2.225 173.838 176.117 -0.089 0.000 0.999 151 I CA -2.453 58.790 61.300 -0.094 0.000 1.129 151 I CB 1.846 39.798 38.000 -0.080 0.000 1.288 151 I HN -0.091 nan 8.210 nan 0.000 0.444 152 P HA 0.081 nan 4.420 nan 0.000 0.282 152 P C 0.545 177.843 177.300 -0.004 0.000 1.274 152 P CA -0.040 63.041 63.100 -0.031 0.000 0.770 152 P CB 1.629 33.314 31.700 -0.026 0.000 0.867 153 V N 1.005 120.931 119.914 0.021 0.000 3.578 153 V HA 0.347 4.464 4.120 -0.005 0.000 0.290 153 V C 0.413 176.507 176.094 0.000 0.000 1.376 153 V CA 0.627 62.970 62.300 0.072 0.000 1.083 153 V CB -0.498 31.471 31.823 0.242 0.000 0.911 153 V HN 0.427 nan 8.190 nan 0.000 0.433 154 K N 0.710 121.037 120.400 -0.122 0.000 2.557 154 K HA 0.465 4.782 4.320 -0.005 0.000 0.257 154 K C -1.561 174.950 176.600 -0.147 0.000 0.933 154 K CA -0.383 55.811 56.287 -0.155 0.000 0.820 154 K CB 2.539 34.850 32.500 -0.314 0.000 1.330 154 K HN 0.447 nan 8.250 nan 0.000 0.432 155 Q N 1.621 121.370 119.800 -0.085 0.000 2.399 155 Q HA 0.474 4.811 4.340 -0.005 0.000 0.276 155 Q C -1.220 174.743 176.000 -0.062 0.000 1.098 155 Q CA -0.977 54.782 55.803 -0.073 0.000 0.827 155 Q CB 2.357 31.072 28.738 -0.039 0.000 1.386 155 Q HN 0.565 nan 8.270 nan 0.000 0.443 156 D N -0.277 120.079 120.400 -0.073 0.000 2.671 156 D HA 0.257 4.894 4.640 -0.005 0.000 0.273 156 D C -1.548 174.702 176.300 -0.083 0.000 1.264 156 D CA -0.194 53.770 54.000 -0.060 0.000 0.788 156 D CB 2.512 43.284 40.800 -0.048 0.000 1.324 156 D HN 0.358 nan 8.370 nan 0.000 0.424 157 S N 1.633 117.298 115.700 -0.059 0.000 2.620 157 S HA 0.470 4.937 4.470 -0.005 0.000 0.244 157 S C -1.290 173.288 174.600 -0.038 0.000 1.192 157 S CA -0.674 57.492 58.200 -0.057 0.000 1.148 157 S CB -0.109 63.075 63.200 -0.026 0.000 1.106 157 S HN 0.234 nan 8.310 nan 0.000 0.474 158 L N 2.230 123.423 121.223 -0.051 0.000 2.332 158 L HA 0.659 4.996 4.340 -0.005 0.000 0.269 158 L C 0.716 177.575 176.870 -0.018 0.000 1.016 158 L CA -0.608 54.208 54.840 -0.040 0.000 0.809 158 L CB 1.258 43.278 42.059 -0.065 0.000 1.280 158 L HN 0.524 nan 8.230 nan 0.000 0.447 159 S N -0.462 115.233 115.700 -0.009 0.000 2.437 159 S HA 0.277 4.744 4.470 -0.005 0.000 0.305 159 S C 0.737 175.339 174.600 0.004 0.000 1.109 159 S CA -0.411 57.795 58.200 0.011 0.000 1.099 159 S CB 0.843 64.051 63.200 0.012 0.000 1.004 159 S HN 0.697 nan 8.310 nan 0.000 0.475 160 S N 3.391 119.105 115.700 0.023 0.000 2.671 160 S HA 0.139 4.606 4.470 -0.005 0.000 0.220 160 S C 0.452 175.066 174.600 0.023 0.000 0.951 160 S CA -0.231 57.980 58.200 0.020 0.000 0.932 160 S CB -0.180 63.047 63.200 0.046 0.000 0.777 160 S HN 0.724 nan 8.310 nan 0.000 0.508 161 Q N 2.635 122.447 119.800 0.020 0.000 2.286 161 Q HA 0.143 4.480 4.340 -0.005 0.000 0.290 161 Q C -0.175 175.828 176.000 0.006 0.000 1.049 161 Q CA 0.591 56.402 55.803 0.014 0.000 0.923 161 Q CB -0.201 28.544 28.738 0.011 0.000 1.183 161 Q HN 0.563 nan 8.270 nan 0.000 0.383 162 N N 3.524 122.227 118.700 0.005 0.000 2.648 162 N HA -0.252 4.485 4.740 -0.005 0.000 0.265 162 N C -0.611 174.899 175.510 0.000 0.000 1.100 162 N CA 0.452 53.502 53.050 0.001 0.000 0.715 162 N CB -0.280 38.206 38.487 -0.002 0.000 0.881 162 N HN 0.604 nan 8.380 nan 0.000 0.548 163 Q N 0.618 120.420 119.800 0.005 0.000 1.870 163 Q HA 0.237 4.574 4.340 -0.005 0.000 0.182 163 Q C -0.362 175.649 176.000 0.019 0.000 0.779 163 Q CA -0.321 55.485 55.803 0.006 0.000 0.912 163 Q CB 0.499 29.236 28.738 -0.001 0.000 1.234 163 Q HN 0.408 nan 8.270 nan 0.000 0.404 164 L N 0.707 121.940 121.223 0.017 0.000 3.739 164 L HA -0.226 4.111 4.340 -0.005 0.000 0.442 164 L C 0.874 177.778 176.870 0.055 0.000 1.241 164 L CA 1.572 56.425 54.840 0.023 0.000 0.819 164 L CB -2.572 39.496 42.059 0.015 0.000 1.679 164 L HN 0.661 nan 8.230 nan 0.000 0.889 165 G N -0.453 108.384 108.800 0.060 0.000 2.416 165 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.301 165 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.301 165 G C 0.367 175.368 174.900 0.170 0.000 0.985 165 G CA 0.530 45.690 45.100 0.099 0.000 0.934 165 G HN 0.504 nan 8.290 nan 0.000 0.513 166 V N 0.807 120.797 119.914 0.126 0.000 2.385 166 V HA 0.356 4.473 4.120 -0.005 0.000 0.277 166 V C 0.323 176.393 176.094 -0.040 0.000 1.012 166 V CA -0.572 61.809 62.300 0.136 0.000 0.832 166 V CB 1.602 33.551 31.823 0.211 0.000 1.028 166 V HN 0.310 nan 8.190 nan 0.000 0.436 167 L N 8.006 129.140 121.223 -0.150 0.000 2.353 167 L HA 0.417 4.754 4.340 -0.005 0.000 0.269 167 L C -2.050 174.656 176.870 -0.273 0.000 1.085 167 L CA -1.524 53.209 54.840 -0.177 0.000 0.938 167 L CB 1.738 43.694 42.059 -0.171 0.000 1.312 167 L HN 0.397 nan 8.230 nan 0.000 0.429 168 P HA 0.269 nan 4.420 nan 0.000 0.271 168 P C -0.880 176.236 177.300 -0.307 0.000 1.216 168 P CA -0.006 62.937 63.100 -0.262 0.000 0.776 168 P CB 1.451 33.060 31.700 -0.152 0.000 0.881 169 L N 1.182 122.132 121.223 -0.455 0.000 2.479 169 L HA 0.588 4.925 4.340 -0.005 0.000 0.255 169 L C -0.037 176.689 176.870 -0.239 0.000 1.026 169 L CA -0.784 53.778 54.840 -0.463 0.000 0.842 169 L CB 2.322 43.845 42.059 -0.893 0.000 1.444 169 L HN 0.406 nan 8.230 nan 0.000 0.409 170 S N -0.973 114.765 115.700 0.063 0.000 2.549 170 S HA 0.708 5.174 4.470 -0.005 0.000 0.280 170 S C -1.911 172.926 174.600 0.394 0.000 1.109 170 S CA -0.650 57.691 58.200 0.237 0.000 0.905 170 S CB 2.306 65.561 63.200 0.093 0.000 1.081 170 S HN 0.637 nan 8.310 nan 0.000 0.477 171 W N 2.330 123.663 121.300 0.054 0.000 2.664 171 W HA 0.447 5.104 4.660 -0.005 0.000 0.314 171 W C -1.834 174.611 176.519 -0.124 0.000 1.010 171 W CA -0.951 56.357 57.345 -0.061 0.000 1.306 171 W CB 0.517 29.876 29.460 -0.168 0.000 1.254 171 W HN 0.725 nan 8.180 nan 0.000 0.404 172 D N 5.247 125.387 120.400 -0.433 0.000 2.426 172 D HA 0.058 4.695 4.640 -0.005 0.000 0.261 172 D C 0.422 176.097 176.300 -1.041 0.000 1.245 172 D CA 0.956 54.640 54.000 -0.528 0.000 0.917 172 D CB 0.525 41.156 40.800 -0.282 0.000 1.123 172 D HN 0.236 nan 8.370 nan 0.000 0.508 173 I N 5.289 125.252 120.570 -1.013 0.000 2.471 173 I HA 0.168 4.335 4.170 -0.005 0.000 0.286 173 I C -1.646 174.109 176.117 -0.604 0.000 1.079 173 I CA -1.904 58.713 61.300 -1.138 0.000 1.398 173 I CB 0.366 37.878 38.000 -0.814 0.000 1.403 173 I HN 0.197 nan 8.210 nan 0.000 0.530 174 P HA 0.009 nan 4.420 nan 0.000 0.270 174 P C 0.166 177.364 177.300 -0.170 0.000 1.223 174 P CA -0.119 62.844 63.100 -0.229 0.000 0.785 174 P CB 0.763 32.397 31.700 -0.111 0.000 0.923 175 E N 0.171 120.302 120.200 -0.115 0.000 2.338 175 E HA -0.011 4.336 4.350 -0.005 0.000 0.197 175 E C 0.421 176.987 176.600 -0.057 0.000 1.007 175 E CA 0.780 57.128 56.400 -0.087 0.000 0.849 175 E CB 0.074 29.733 29.700 -0.069 0.000 0.774 175 E HN 0.416 nan 8.360 nan 0.000 0.506 176 L N 0.021 121.222 121.223 -0.037 0.000 2.381 176 L HA 0.502 4.839 4.340 -0.005 0.000 0.268 176 L C -0.657 176.230 176.870 0.027 0.000 0.997 176 L CA -0.692 54.146 54.840 -0.004 0.000 0.818 176 L CB 2.694 44.757 42.059 0.005 0.000 1.310 176 L HN -0.264 nan 8.230 nan 0.000 0.416 177 V N 2.041 121.991 119.914 0.060 0.000 3.265 177 V HA 0.267 4.384 4.120 -0.005 0.000 0.275 177 V C -1.461 174.727 176.094 0.156 0.000 1.684 177 V CA -0.885 61.498 62.300 0.139 0.000 1.032 177 V CB 2.681 34.604 31.823 0.166 0.000 1.250 177 V HN 0.802 nan 8.190 nan 0.000 0.468 178 N N 2.822 121.647 118.700 0.207 0.000 2.452 178 N HA 0.422 5.159 4.740 -0.005 0.000 0.266 178 N C -0.190 175.459 175.510 0.232 0.000 1.209 178 N CA 0.252 53.393 53.050 0.151 0.000 0.929 178 N CB 0.577 39.098 38.487 0.057 0.000 1.063 178 N HN 0.619 nan 8.380 nan 0.000 0.472 179 M N 1.421 121.108 119.600 0.145 0.000 2.114 179 M HA 0.484 4.961 4.480 -0.005 0.000 0.293 179 M C 1.136 177.494 176.300 0.097 0.000 1.201 179 M CA 0.726 56.121 55.300 0.157 0.000 1.107 179 M CB 0.633 33.289 32.600 0.093 0.000 1.405 179 M HN 0.722 nan 8.290 nan 0.000 0.486 180 G N -0.353 108.505 108.800 0.095 0.000 2.298 180 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.309 180 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.309 180 G C -1.701 173.214 174.900 0.026 0.000 1.279 180 G CA -0.967 44.141 45.100 0.013 0.000 1.042 180 G HN 0.528 nan 8.290 nan 0.000 0.480 181 Q N -0.083 119.688 119.800 -0.048 0.000 2.314 181 Q HA 0.399 4.736 4.340 -0.005 0.000 0.257 181 Q C -0.717 175.209 176.000 -0.123 0.000 0.975 181 Q CA 0.042 55.823 55.803 -0.037 0.000 0.933 181 Q CB 1.108 29.836 28.738 -0.017 0.000 1.195 181 Q HN 0.430 nan 8.270 nan 0.000 0.426 182 W N 2.202 123.319 121.300 -0.304 0.000 2.332 182 W HA 0.322 4.979 4.660 -0.005 0.000 0.351 182 W C 0.098 176.622 176.519 0.009 0.000 1.195 182 W CA -0.206 56.971 57.345 -0.280 0.000 1.334 182 W CB 0.866 29.904 29.460 -0.703 0.000 1.206 182 W HN 0.298 nan 8.180 nan 0.000 0.637 183 K N 1.184 121.838 120.400 0.424 0.000 2.443 183 K HA 0.654 4.971 4.320 -0.005 0.000 0.251 183 K C -1.395 175.378 176.600 0.288 0.000 0.972 183 K CA -0.600 55.885 56.287 0.330 0.000 0.833 183 K CB 2.089 34.666 32.500 0.129 0.000 1.317 183 K HN 0.267 nan 8.250 nan 0.000 0.441 184 I N 2.124 122.776 120.570 0.137 0.000 2.468 184 I HA 0.370 4.537 4.170 -0.005 0.000 0.284 184 I C -0.698 175.434 176.117 0.025 0.000 1.038 184 I CA -0.613 60.678 61.300 -0.014 0.000 1.083 184 I CB 1.389 39.283 38.000 -0.177 0.000 1.223 184 I HN 0.282 nan 8.210 nan 0.000 0.443 185 R N 4.668 125.175 120.500 0.012 0.000 2.532 185 R HA 0.907 5.244 4.340 -0.005 0.000 0.295 185 R C -0.764 175.530 176.300 -0.009 0.000 0.968 185 R CA -0.768 55.354 56.100 0.036 0.000 0.916 185 R CB 2.415 32.747 30.300 0.053 0.000 1.124 185 R HN 0.639 nan 8.270 nan 0.000 0.463 186 A N 2.044 124.876 122.820 0.020 0.000 2.572 186 A HA 0.720 5.037 4.320 -0.005 0.000 0.295 186 A C -1.813 175.797 177.584 0.044 0.000 1.072 186 A CA -0.787 51.194 52.037 -0.094 0.000 0.691 186 A CB 1.473 20.421 19.000 -0.085 0.000 1.291 186 A HN 0.745 nan 8.150 nan 0.000 0.404 187 Y N -2.019 118.284 120.300 0.006 0.000 2.521 187 Y HA 0.656 5.203 4.550 -0.005 0.000 0.332 187 Y C -1.130 174.780 175.900 0.017 0.000 1.121 187 Y CA -1.702 56.418 58.100 0.034 0.000 1.037 187 Y CB 0.208 38.684 38.460 0.026 0.000 1.330 187 Y HN 0.621 nan 8.280 nan 0.000 0.452 188 Y N 2.139 122.635 120.300 0.327 0.000 2.610 188 Y HA -0.014 4.533 4.550 -0.005 0.000 0.332 188 Y C 1.847 177.912 175.900 0.274 0.000 1.201 188 Y CA 0.624 58.853 58.100 0.216 0.000 1.465 188 Y CB 0.902 39.467 38.460 0.175 0.000 1.283 188 Y HN 0.934 nan 8.280 nan 0.000 0.563 189 E N 1.836 122.252 120.200 0.360 0.000 2.273 189 E HA -0.286 4.061 4.350 -0.005 0.000 0.198 189 E C 0.627 177.363 176.600 0.228 0.000 1.002 189 E CA 1.448 58.021 56.400 0.288 0.000 0.828 189 E CB 0.100 29.907 29.700 0.179 0.000 0.747 189 E HN 0.675 nan 8.360 nan 0.000 0.491 190 N N -0.536 118.291 118.700 0.211 0.000 2.280 190 N HA 0.041 4.778 4.740 -0.005 0.000 0.192 190 N C -0.660 174.915 175.510 0.109 0.000 1.109 190 N CA 0.231 53.355 53.050 0.123 0.000 0.855 190 N CB 1.385 39.912 38.487 0.067 0.000 0.974 190 N HN -0.135 nan 8.380 nan 0.000 0.482 191 S N 0.673 116.469 115.700 0.161 0.000 2.486 191 S HA 0.239 4.706 4.470 -0.005 0.000 0.144 191 S C -2.449 172.149 174.600 -0.004 0.000 1.542 191 S CA -0.663 57.594 58.200 0.095 0.000 1.262 191 S CB 1.730 65.034 63.200 0.172 0.000 1.462 191 S HN 0.035 nan 8.310 nan 0.000 0.381 192 P HA 0.039 nan 4.420 nan 0.000 0.255 192 P C 1.068 178.035 177.300 -0.556 0.000 1.301 192 P CA 0.254 62.914 63.100 -0.734 0.000 0.817 192 P CB 0.179 31.464 31.700 -0.691 0.000 1.259 193 Q N -1.510 118.122 119.800 -0.280 0.000 2.280 193 Q HA 0.085 4.422 4.340 -0.005 0.000 0.244 193 Q C 0.652 176.543 176.000 -0.181 0.000 0.847 193 Q CA 0.341 56.023 55.803 -0.201 0.000 0.945 193 Q CB -0.063 28.594 28.738 -0.135 0.000 1.115 193 Q HN 0.253 nan 8.270 nan 0.000 0.513 194 Q N 1.639 121.332 119.800 -0.177 0.000 2.441 194 Q HA 0.420 4.757 4.340 -0.005 0.000 0.234 194 Q C -1.394 174.370 176.000 -0.393 0.000 1.078 194 Q CA -0.249 55.389 55.803 -0.275 0.000 0.907 194 Q CB 0.893 29.529 28.738 -0.170 0.000 1.269 194 Q HN 0.034 nan 8.270 nan 0.000 0.502 195 V N 5.324 124.989 119.914 -0.415 0.000 2.378 195 V HA 0.410 4.527 4.120 -0.005 0.000 0.288 195 V C -0.540 175.333 176.094 -0.369 0.000 1.016 195 V CA -0.644 61.519 62.300 -0.229 0.000 0.840 195 V CB 0.603 32.393 31.823 -0.055 0.000 0.994 195 V HN 0.543 nan 8.190 nan 0.000 0.431 196 F N 2.151 122.104 119.950 0.004 0.000 2.379 196 F HA 0.699 5.222 4.527 -0.005 0.000 0.332 196 F C 1.071 176.856 175.800 -0.024 0.000 1.096 196 F CA 0.058 58.028 58.000 -0.050 0.000 1.105 196 F CB 1.643 40.561 39.000 -0.136 0.000 1.189 196 F HN 0.503 nan 8.300 nan 0.000 0.515 197 S N -0.544 115.250 115.700 0.157 0.000 4.094 197 S HA 0.809 5.276 4.470 -0.005 0.000 0.236 197 S C -1.002 173.666 174.600 0.114 0.000 1.056 197 S CA -0.794 57.470 58.200 0.107 0.000 1.564 197 S CB 1.685 64.931 63.200 0.077 0.000 1.097 197 S HN 0.639 nan 8.310 nan 0.000 0.734 198 T N 1.572 116.197 114.554 0.120 0.000 3.105 198 T HA 0.068 4.415 4.350 -0.005 0.000 0.427 198 T C -1.821 172.998 174.700 0.198 0.000 1.302 198 T CA -0.651 61.533 62.100 0.140 0.000 1.004 198 T CB -0.094 68.846 68.868 0.120 0.000 1.526 198 T HN 0.540 nan 8.240 nan 0.000 0.430 199 E N 1.708 122.052 120.200 0.239 0.000 2.281 199 E HA 0.886 5.233 4.350 -0.005 0.000 0.257 199 E C -0.753 176.156 176.600 0.516 0.000 0.971 199 E CA -1.227 55.381 56.400 0.346 0.000 0.839 199 E CB 2.029 31.852 29.700 0.204 0.000 1.238 199 E HN 0.633 nan 8.360 nan 0.000 0.412 200 F N -1.766 118.301 119.950 0.195 0.000 2.651 200 F HA 0.327 4.851 4.527 -0.005 0.000 0.327 200 F C -0.933 175.040 175.800 0.288 0.000 1.133 200 F CA -1.070 57.079 58.000 0.248 0.000 1.076 200 F CB 0.876 40.051 39.000 0.291 0.000 1.315 200 F HN 0.255 nan 8.300 nan 0.000 0.499 201 E N 2.955 123.249 120.200 0.158 0.000 2.324 201 E HA 0.426 4.773 4.350 -0.005 0.000 0.271 201 E C -1.111 175.537 176.600 0.081 0.000 1.028 201 E CA -0.479 55.966 56.400 0.076 0.000 0.890 201 E CB 1.526 31.282 29.700 0.093 0.000 1.004 201 E HN 0.587 nan 8.360 nan 0.000 0.431 202 V N 5.495 125.447 119.914 0.064 0.000 2.394 202 V HA 0.437 4.554 4.120 -0.005 0.000 0.282 202 V C -0.128 176.049 176.094 0.137 0.000 1.031 202 V CA -0.232 62.123 62.300 0.091 0.000 0.881 202 V CB 1.427 33.277 31.823 0.044 0.000 0.982 202 V HN 0.655 nan 8.190 nan 0.000 0.451 203 K N 3.231 123.721 120.400 0.151 0.000 2.622 203 K HA 0.342 4.659 4.320 -0.005 0.000 0.273 203 K C -1.028 175.664 176.600 0.155 0.000 0.957 203 K CA -0.688 55.692 56.287 0.154 0.000 0.861 203 K CB 2.016 34.617 32.500 0.169 0.000 1.405 203 K HN 0.730 nan 8.250 nan 0.000 0.406 204 E N 2.232 122.485 120.200 0.088 0.000 2.354 204 E HA 0.235 4.582 4.350 -0.005 0.000 0.269 204 E C -1.180 175.492 176.600 0.120 0.000 1.036 204 E CA 0.046 56.455 56.400 0.016 0.000 0.876 204 E CB 0.572 30.272 29.700 0.001 0.000 1.009 204 E HN 0.447 nan 8.360 nan 0.000 0.416 205 Y N -1.305 118.985 120.300 -0.016 0.000 2.661 205 Y HA 0.402 4.948 4.550 -0.005 0.000 0.339 205 Y C -1.379 174.503 175.900 -0.030 0.000 1.186 205 Y CA -1.392 56.693 58.100 -0.025 0.000 1.137 205 Y CB 0.101 38.542 38.460 -0.033 0.000 1.354 205 Y HN 0.284 nan 8.280 nan 0.000 0.469 206 V N 0.769 120.791 119.914 0.180 0.000 3.093 206 V HA 0.793 4.910 4.120 -0.005 0.000 0.320 206 V C -1.015 175.233 176.094 0.258 0.000 1.093 206 V CA -1.035 61.360 62.300 0.159 0.000 1.016 206 V CB 1.742 33.599 31.823 0.056 0.000 1.096 206 V HN 0.838 nan 8.190 nan 0.000 0.452 207 L N 3.229 124.550 121.223 0.163 0.000 2.334 207 L HA 0.678 5.015 4.340 -0.005 0.000 0.277 207 L C -1.729 175.129 176.870 -0.020 0.000 1.075 207 L CA -1.703 53.169 54.840 0.054 0.000 0.804 207 L CB 0.614 42.693 42.059 0.033 0.000 1.174 207 L HN 0.746 nan 8.230 nan 0.000 0.438 208 P HA 0.186 nan 4.420 nan 0.000 0.274 208 P C -0.364 176.868 177.300 -0.113 0.000 1.264 208 P CA -0.227 62.758 63.100 -0.190 0.000 0.795 208 P CB 0.439 31.914 31.700 -0.376 0.000 1.064 209 S N -2.109 113.520 115.700 -0.119 0.000 2.629 209 S HA 0.392 4.859 4.470 -0.005 0.000 0.236 209 S C 0.146 174.799 174.600 0.089 0.000 1.010 209 S CA -0.438 57.828 58.200 0.111 0.000 0.981 209 S CB -0.631 62.770 63.200 0.336 0.000 0.919 209 S HN 0.575 nan 8.310 nan 0.000 0.514 210 F N 0.341 120.154 119.950 -0.228 0.000 2.773 210 F HA 0.772 5.296 4.527 -0.005 0.000 0.314 210 F C -1.254 174.407 175.800 -0.232 0.000 1.160 210 F CA -1.226 56.554 58.000 -0.367 0.000 0.920 210 F CB 0.764 39.280 39.000 -0.807 0.000 1.323 210 F HN 0.051 nan 8.300 nan 0.000 0.457 211 E N 1.006 121.208 120.200 0.004 0.000 2.281 211 E HA 0.788 5.135 4.350 -0.005 0.000 0.262 211 E C -1.708 174.938 176.600 0.076 0.000 0.933 211 E CA -1.145 55.230 56.400 -0.041 0.000 0.809 211 E CB 2.704 32.389 29.700 -0.026 0.000 1.242 211 E HN 0.589 nan 8.360 nan 0.000 0.418 212 V N 0.976 120.901 119.914 0.019 0.000 2.919 212 V HA 0.554 4.671 4.120 -0.005 0.000 0.316 212 V C -0.343 175.752 176.094 0.002 0.000 1.077 212 V CA -0.964 61.354 62.300 0.029 0.000 0.977 212 V CB 1.435 33.271 31.823 0.022 0.000 1.039 212 V HN 0.666 nan 8.190 nan 0.000 0.441 213 I N 2.622 123.191 120.570 -0.002 0.000 2.576 213 I HA 0.324 4.491 4.170 -0.005 0.000 0.279 213 I C -0.373 175.739 176.117 -0.009 0.000 1.114 213 I CA -0.394 60.903 61.300 -0.005 0.000 1.076 213 I CB 1.918 39.918 38.000 -0.000 0.000 1.212 213 I HN 0.575 nan 8.210 nan 0.000 0.472 214 V N 2.957 122.863 119.914 -0.013 0.000 2.686 214 V HA 0.914 5.031 4.120 -0.005 0.000 0.295 214 V C -0.425 175.666 176.094 -0.005 0.000 1.057 214 V CA -0.116 62.173 62.300 -0.017 0.000 1.012 214 V CB 1.413 33.214 31.823 -0.036 0.000 1.006 214 V HN 0.827 nan 8.190 nan 0.000 0.477 215 E N 3.598 123.799 120.200 0.001 0.000 2.537 215 E HA 0.506 4.853 4.350 -0.005 0.000 0.301 215 E C -3.225 173.383 176.600 0.014 0.000 0.990 215 E CA -1.380 55.026 56.400 0.009 0.000 0.828 215 E CB 1.435 31.138 29.700 0.006 0.000 1.243 215 E HN 0.541 nan 8.360 nan 0.000 0.414 216 P HA 0.030 nan 4.420 nan 0.000 0.276 216 P C 0.810 178.098 177.300 -0.019 0.000 1.261 216 P CA -0.293 62.813 63.100 0.011 0.000 0.800 216 P CB 0.877 32.585 31.700 0.014 0.000 1.066 217 T N -2.348 112.185 114.554 -0.034 0.000 2.684 217 T HA -0.107 4.239 4.350 -0.005 0.000 0.267 217 T C 0.573 175.215 174.700 -0.097 0.000 1.036 217 T CA 1.183 63.251 62.100 -0.054 0.000 1.148 217 T CB -0.539 68.294 68.868 -0.059 0.000 0.863 217 T HN 0.420 nan 8.240 nan 0.000 0.436 218 E N 0.843 120.941 120.200 -0.171 0.000 2.183 218 E HA 0.314 4.661 4.350 -0.005 0.000 0.271 218 E C -0.428 176.023 176.600 -0.249 0.000 0.919 218 E CA -0.584 55.624 56.400 -0.319 0.000 0.781 218 E CB 1.728 31.006 29.700 -0.703 0.000 1.140 218 E HN 0.323 nan 8.360 nan 0.000 0.402 219 K N 2.547 122.872 120.400 -0.125 0.000 3.077 219 K HA 0.066 4.383 4.320 -0.005 0.000 0.269 219 K C -0.632 176.078 176.600 0.183 0.000 0.973 219 K CA 0.329 56.641 56.287 0.041 0.000 1.162 219 K CB -0.725 31.835 32.500 0.101 0.000 1.079 219 K HN 0.291 nan 8.250 nan 0.000 0.456 220 F N -3.962 116.023 119.950 0.057 0.000 2.829 220 F HA 0.285 4.809 4.527 -0.005 0.000 0.319 220 F C -1.912 173.984 175.800 0.159 0.000 1.153 220 F CA -1.855 56.194 58.000 0.082 0.000 0.912 220 F CB 0.541 39.559 39.000 0.030 0.000 1.292 220 F HN -0.181 nan 8.300 nan 0.000 0.447 221 Y N 2.193 122.677 120.300 0.306 0.000 2.364 221 Y HA 0.614 5.161 4.550 -0.005 0.000 0.340 221 Y C -1.528 174.599 175.900 0.379 0.000 0.975 221 Y CA -1.883 56.352 58.100 0.224 0.000 1.089 221 Y CB 1.286 39.803 38.460 0.095 0.000 1.192 221 Y HN 0.756 nan 8.280 nan 0.000 0.454 222 Y N 6.705 126.723 120.300 -0.471 0.000 2.352 222 Y HA 0.320 4.867 4.550 -0.005 0.000 0.326 222 Y C 1.096 176.378 175.900 -1.030 0.000 1.166 222 Y CA -0.482 57.328 58.100 -0.483 0.000 1.182 222 Y CB 1.118 39.465 38.460 -0.189 0.000 1.216 222 Y HN 0.664 nan 8.280 nan 0.000 0.474 223 I N 1.144 121.153 120.570 -0.934 0.000 2.852 223 I HA -0.072 4.095 4.170 -0.005 0.000 0.264 223 I C 0.257 176.276 176.117 -0.163 0.000 1.179 223 I CA 0.611 61.581 61.300 -0.550 0.000 1.480 223 I CB -0.248 37.501 38.000 -0.417 0.000 1.111 223 I HN 0.487 nan 8.210 nan 0.000 0.441 224 Y N 1.516 121.746 120.300 -0.116 0.000 2.462 224 Y HA 0.238 4.785 4.550 -0.005 0.000 0.293 224 Y C 0.853 176.876 175.900 0.206 0.000 1.195 224 Y CA -1.435 56.739 58.100 0.123 0.000 1.276 224 Y CB -1.626 36.941 38.460 0.177 0.000 1.082 224 Y HN 0.241 nan 8.280 nan 0.000 0.514 225 N N 2.360 121.239 118.700 0.299 0.000 2.416 225 N HA -0.054 4.683 4.740 -0.005 0.000 0.265 225 N C 0.440 176.061 175.510 0.184 0.000 1.195 225 N CA 0.269 53.419 53.050 0.168 0.000 0.943 225 N CB 0.671 39.197 38.487 0.066 0.000 1.115 225 N HN 0.478 nan 8.380 nan 0.000 0.481 226 E N 3.110 123.393 120.200 0.138 0.000 2.268 226 E HA -0.156 4.191 4.350 -0.005 0.000 0.195 226 E C 1.192 177.851 176.600 0.099 0.000 0.995 226 E CA 0.900 57.367 56.400 0.112 0.000 0.836 226 E CB 0.330 30.074 29.700 0.073 0.000 0.763 226 E HN 0.605 nan 8.360 nan 0.000 0.491 227 K N 0.247 120.706 120.400 0.099 0.000 2.001 227 K HA -0.011 4.306 4.320 -0.005 0.000 0.208 227 K C 0.921 177.564 176.600 0.072 0.000 1.048 227 K CA 0.995 57.324 56.287 0.070 0.000 0.932 227 K CB 0.003 32.537 32.500 0.058 0.000 0.715 227 K HN 0.209 nan 8.250 nan 0.000 0.437 228 G N 0.045 108.944 108.800 0.164 0.000 2.462 228 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.685 228 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.685 228 G C -1.704 173.222 174.900 0.044 0.000 1.295 228 G CA -0.826 44.324 45.100 0.083 0.000 0.941 228 G HN 0.117 nan 8.290 nan 0.000 0.554 229 L N 1.032 122.079 121.223 -0.294 0.000 2.456 229 L HA 0.516 4.853 4.340 -0.005 0.000 0.277 229 L C 0.727 177.536 176.870 -0.102 0.000 1.124 229 L CA 0.283 55.001 54.840 -0.205 0.000 0.880 229 L CB 0.145 41.967 42.059 -0.394 0.000 1.192 229 L HN 0.564 nan 8.230 nan 0.000 0.463 230 E N 2.986 123.176 120.200 -0.015 0.000 2.259 230 E HA 0.521 4.868 4.350 -0.005 0.000 0.281 230 E C -1.080 175.540 176.600 0.033 0.000 1.027 230 E CA -0.276 56.124 56.400 0.001 0.000 0.838 230 E CB 1.355 31.053 29.700 -0.002 0.000 1.066 230 E HN 0.438 nan 8.360 nan 0.000 0.401 231 V N 2.567 122.520 119.914 0.065 0.000 2.925 231 V HA 0.406 4.523 4.120 -0.005 0.000 0.311 231 V C -0.508 175.617 176.094 0.052 0.000 1.104 231 V CA -0.778 61.573 62.300 0.085 0.000 0.954 231 V CB 2.619 34.551 31.823 0.183 0.000 1.022 231 V HN 0.658 nan 8.190 nan 0.000 0.427 232 T N 5.072 119.643 114.554 0.028 0.000 2.815 232 T HA 0.540 4.887 4.350 -0.005 0.000 0.289 232 T C -0.359 174.340 174.700 -0.001 0.000 1.000 232 T CA -0.270 61.837 62.100 0.011 0.000 0.958 232 T CB 0.752 69.622 68.868 0.004 0.000 0.944 232 T HN 0.312 nan 8.240 nan 0.000 0.442 233 I N 3.727 124.291 120.570 -0.009 0.000 2.575 233 I HA 0.327 4.494 4.170 -0.005 0.000 0.285 233 I C 0.517 176.620 176.117 -0.024 0.000 1.085 233 I CA 0.010 61.296 61.300 -0.023 0.000 1.403 233 I CB 0.907 38.885 38.000 -0.038 0.000 1.409 233 I HN 0.598 nan 8.210 nan 0.000 0.557 234 T N 4.917 119.457 114.554 -0.023 0.000 2.971 234 T HA 0.701 5.048 4.350 -0.005 0.000 0.304 234 T C -0.600 174.085 174.700 -0.025 0.000 1.038 234 T CA -0.638 61.448 62.100 -0.024 0.000 1.007 234 T CB 2.069 70.929 68.868 -0.013 0.000 1.055 234 T HN 0.739 nan 8.240 nan 0.000 0.451 235 A N 3.054 125.845 122.820 -0.048 0.000 2.398 235 A HA 0.915 5.232 4.320 -0.005 0.000 0.301 235 A C -0.645 176.879 177.584 -0.100 0.000 1.041 235 A CA -0.882 51.118 52.037 -0.060 0.000 0.711 235 A CB 1.610 20.536 19.000 -0.123 0.000 1.240 235 A HN 0.790 nan 8.150 nan 0.000 0.420 236 R N 1.953 122.409 120.500 -0.073 0.000 2.584 236 R HA 0.551 4.888 4.340 -0.005 0.000 0.276 236 R C -1.874 174.371 176.300 -0.092 0.000 1.046 236 R CA -0.621 55.443 56.100 -0.060 0.000 0.906 236 R CB 1.069 31.362 30.300 -0.012 0.000 1.215 236 R HN 0.577 nan 8.270 nan 0.000 0.449 237 F N 4.837 124.661 119.950 -0.210 0.000 2.504 237 F HA 0.109 4.633 4.527 -0.005 0.000 0.369 237 F C 1.712 177.245 175.800 -0.445 0.000 1.082 237 F CA 0.018 57.768 58.000 -0.417 0.000 1.216 237 F CB 0.794 39.166 39.000 -1.047 0.000 1.108 237 F HN 0.533 nan 8.300 nan 0.000 0.554 238 L N 3.340 124.509 121.223 -0.090 0.000 2.230 238 L HA -0.301 4.036 4.340 -0.005 0.000 0.217 238 L C 1.523 178.420 176.870 0.045 0.000 1.090 238 L CA 1.432 56.271 54.840 -0.002 0.000 0.771 238 L CB -0.805 41.287 42.059 0.055 0.000 0.892 238 L HN 0.716 nan 8.230 nan 0.000 0.438 239 Y N -1.254 119.145 120.300 0.166 0.000 2.547 239 Y HA 0.533 5.080 4.550 -0.005 0.000 0.325 239 Y C 1.397 177.353 175.900 0.093 0.000 1.165 239 Y CA -0.275 57.888 58.100 0.105 0.000 1.300 239 Y CB -0.687 37.819 38.460 0.076 0.000 1.126 239 Y HN 0.103 nan 8.280 nan 0.000 0.513 240 G N -0.031 108.816 108.800 0.078 0.000 2.420 240 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.221 240 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.221 240 G C 0.403 175.345 174.900 0.070 0.000 1.117 240 G CA -0.148 45.004 45.100 0.087 0.000 0.657 240 G HN 0.252 nan 8.290 nan 0.000 0.512 241 K N 1.818 122.275 120.400 0.096 0.000 2.185 241 K HA 0.452 4.769 4.320 -0.005 0.000 0.271 241 K C 0.669 177.331 176.600 0.104 0.000 1.013 241 K CA -0.284 56.062 56.287 0.099 0.000 0.943 241 K CB 1.271 33.862 32.500 0.151 0.000 0.998 241 K HN 0.454 nan 8.250 nan 0.000 0.468 242 K N 0.346 120.801 120.400 0.092 0.000 2.156 242 K HA 0.207 4.524 4.320 -0.005 0.000 0.242 242 K C 0.037 176.737 176.600 0.167 0.000 1.033 242 K CA -0.482 55.858 56.287 0.088 0.000 0.878 242 K CB 0.415 32.942 32.500 0.044 0.000 1.057 242 K HN 0.167 nan 8.250 nan 0.000 0.505 243 V N 1.265 121.219 119.914 0.067 0.000 2.715 243 V HA 0.230 4.347 4.120 -0.005 0.000 0.310 243 V C -0.651 175.437 176.094 -0.009 0.000 1.054 243 V CA -0.827 61.490 62.300 0.029 0.000 0.928 243 V CB 1.808 33.445 31.823 -0.311 0.000 1.007 243 V HN 0.623 nan 8.190 nan 0.000 0.437 244 E N 2.501 122.716 120.200 0.025 0.000 2.176 244 E HA 0.732 5.079 4.350 -0.005 0.000 0.267 244 E C 0.113 176.672 176.600 -0.068 0.000 0.893 244 E CA -0.191 56.236 56.400 0.045 0.000 0.761 244 E CB 2.281 32.073 29.700 0.154 0.000 1.133 244 E HN 0.909 nan 8.360 nan 0.000 0.409 245 G N 0.946 109.568 108.800 -0.297 0.000 2.677 245 G HA2 0.537 4.494 3.960 -0.005 0.000 0.283 245 G HA3 0.537 4.494 3.960 -0.005 0.000 0.283 245 G C -1.055 173.415 174.900 -0.717 0.000 1.221 245 G CA -0.324 44.346 45.100 -0.717 0.000 0.851 245 G HN 0.311 nan 8.290 nan 0.000 0.504 246 T N -0.119 114.102 114.554 -0.556 0.000 3.105 246 T HA 0.670 5.017 4.350 -0.005 0.000 0.321 246 T C -0.880 173.494 174.700 -0.544 0.000 1.135 246 T CA 0.307 62.138 62.100 -0.448 0.000 1.053 246 T CB 1.428 70.064 68.868 -0.387 0.000 1.133 246 T HN 1.387 nan 8.240 nan 0.000 0.463 247 A N 2.767 125.291 122.820 -0.494 0.000 2.355 247 A HA 0.877 5.194 4.320 -0.005 0.000 0.317 247 A C -1.404 175.919 177.584 -0.435 0.000 1.094 247 A CA -0.607 51.166 52.037 -0.440 0.000 0.764 247 A CB 0.646 19.520 19.000 -0.210 0.000 1.230 247 A HN 0.650 nan 8.150 nan 0.000 0.448 248 F N 2.412 122.350 119.950 -0.020 0.000 2.332 248 F HA 0.487 5.011 4.527 -0.005 0.000 0.368 248 F C 0.506 176.286 175.800 -0.033 0.000 1.110 248 F CA -0.828 57.164 58.000 -0.015 0.000 1.087 248 F CB 1.614 40.609 39.000 -0.008 0.000 1.235 248 F HN 0.479 nan 8.300 nan 0.000 0.470 249 V N 3.528 123.514 119.914 0.120 0.000 2.850 249 V HA 0.833 4.950 4.120 -0.005 0.000 0.315 249 V C -0.744 175.341 176.094 -0.016 0.000 1.064 249 V CA -0.779 61.511 62.300 -0.016 0.000 0.979 249 V CB 2.207 33.970 31.823 -0.100 0.000 1.039 249 V HN 0.786 nan 8.190 nan 0.000 0.452 250 I N 1.744 122.198 120.570 -0.194 0.000 2.947 250 I HA 0.651 4.818 4.170 -0.005 0.000 0.301 250 I C -1.801 174.100 176.117 -0.360 0.000 1.453 250 I CA -0.717 60.535 61.300 -0.079 0.000 0.984 250 I CB 2.290 40.303 38.000 0.021 0.000 1.333 250 I HN 0.775 nan 8.210 nan 0.000 0.475 251 F N 2.968 122.842 119.950 -0.125 0.000 2.639 251 F HA 0.960 5.483 4.527 -0.005 0.000 0.339 251 F C 0.630 176.121 175.800 -0.514 0.000 1.071 251 F CA -0.481 57.338 58.000 -0.302 0.000 0.994 251 F CB 2.125 40.975 39.000 -0.249 0.000 1.341 251 F HN 0.534 nan 8.300 nan 0.000 0.498 252 G N 0.223 108.554 108.800 -0.782 0.000 2.547 252 G HA2 0.558 4.515 3.960 -0.005 0.000 0.291 252 G HA3 0.558 4.515 3.960 -0.005 0.000 0.291 252 G C -2.359 172.145 174.900 -0.660 0.000 1.471 252 G CA -0.772 43.856 45.100 -0.788 0.000 0.798 252 G HN 0.362 nan 8.290 nan 0.000 0.504 253 I N 0.745 121.235 120.570 -0.133 0.000 2.336 253 I HA 0.441 4.608 4.170 -0.005 0.000 0.292 253 I C 0.411 176.653 176.117 0.208 0.000 0.991 253 I CA -0.479 60.843 61.300 0.037 0.000 1.227 253 I CB 1.876 39.894 38.000 0.031 0.000 1.366 253 I HN 0.541 nan 8.210 nan 0.000 0.466 254 Q N 3.841 123.796 119.800 0.258 0.000 2.230 254 Q HA 0.479 4.816 4.340 -0.005 0.000 0.248 254 Q C -1.257 174.816 176.000 0.121 0.000 0.915 254 Q CA -0.379 55.550 55.803 0.210 0.000 0.900 254 Q CB 1.238 30.099 28.738 0.205 0.000 1.229 254 Q HN 0.605 nan 8.270 nan 0.000 0.439 255 D N 2.136 122.588 120.400 0.087 0.000 2.474 255 D HA 0.315 4.952 4.640 -0.005 0.000 0.234 255 D C 0.156 176.483 176.300 0.046 0.000 1.323 255 D CA 0.959 54.996 54.000 0.062 0.000 0.915 255 D CB 0.189 41.025 40.800 0.059 0.000 1.487 255 D HN 0.752 nan 8.370 nan 0.000 0.524 256 G N 3.626 112.450 108.800 0.040 0.000 3.274 256 G HA2 -0.398 3.559 3.960 -0.005 0.000 0.313 256 G HA3 -0.398 3.559 3.960 -0.005 0.000 0.313 256 G C 0.748 175.663 174.900 0.026 0.000 1.295 256 G CA 0.986 46.104 45.100 0.030 0.000 1.004 256 G HN 0.488 nan 8.290 nan 0.000 0.614 257 E N 0.354 120.566 120.200 0.020 0.000 2.441 257 E HA 0.217 4.564 4.350 -0.005 0.000 0.207 257 E C 1.171 177.776 176.600 0.009 0.000 0.803 257 E CA 0.505 56.910 56.400 0.009 0.000 1.240 257 E CB -0.194 29.507 29.700 0.002 0.000 1.233 257 E HN 0.735 nan 8.360 nan 0.000 0.590 258 Q N 2.471 122.283 119.800 0.020 0.000 2.320 258 Q HA -0.077 4.260 4.340 -0.005 0.000 0.311 258 Q C -0.659 175.373 176.000 0.053 0.000 1.083 258 Q CA 0.744 56.564 55.803 0.030 0.000 1.001 258 Q CB 0.359 29.117 28.738 0.033 0.000 1.074 258 Q HN 0.008 nan 8.270 nan 0.000 0.379 259 R N 4.186 124.721 120.500 0.059 0.000 2.480 259 R HA 0.501 4.838 4.340 -0.005 0.000 0.306 259 R C -0.823 175.580 176.300 0.171 0.000 0.958 259 R CA -0.746 55.431 56.100 0.130 0.000 0.861 259 R CB 1.358 31.662 30.300 0.007 0.000 1.171 259 R HN 0.560 nan 8.270 nan 0.000 0.445 260 I N 1.765 122.471 120.570 0.227 0.000 2.362 260 I HA 0.229 4.396 4.170 -0.005 0.000 0.289 260 I C 0.590 176.798 176.117 0.151 0.000 0.994 260 I CA -0.392 60.996 61.300 0.146 0.000 1.158 260 I CB 1.422 39.473 38.000 0.086 0.000 1.315 260 I HN 0.535 nan 8.210 nan 0.000 0.451 261 S N 5.734 121.515 115.700 0.135 0.000 2.593 261 S HA 0.503 4.970 4.470 -0.005 0.000 0.269 261 S C 0.212 174.832 174.600 0.033 0.000 1.334 261 S CA -0.267 57.993 58.200 0.101 0.000 1.015 261 S CB 0.503 63.764 63.200 0.102 0.000 0.912 261 S HN 0.492 nan 8.310 nan 0.000 0.541 262 L N 4.709 125.941 121.223 0.014 0.000 2.784 262 L HA 0.290 4.627 4.340 -0.005 0.000 0.241 262 L C -1.820 175.064 176.870 0.023 0.000 1.352 262 L CA -1.489 53.355 54.840 0.006 0.000 0.911 262 L CB 0.971 43.022 42.059 -0.013 0.000 1.227 262 L HN 0.506 nan 8.230 nan 0.000 0.501 263 P HA -0.293 nan 4.420 nan 0.000 0.219 263 P C 1.264 178.579 177.300 0.025 0.000 1.158 263 P CA 1.460 64.575 63.100 0.025 0.000 0.895 263 P CB 0.294 32.004 31.700 0.016 0.000 0.792 264 E N -0.465 119.744 120.200 0.015 0.000 2.463 264 E HA -0.120 4.227 4.350 -0.005 0.000 0.201 264 E C 1.494 178.105 176.600 0.018 0.000 1.045 264 E CA 0.918 57.325 56.400 0.012 0.000 0.872 264 E CB -0.167 29.534 29.700 0.000 0.000 0.797 264 E HN 0.310 nan 8.360 nan 0.000 0.538 265 S N -0.018 115.703 115.700 0.035 0.000 2.522 265 S HA -0.078 4.389 4.470 -0.005 0.000 0.227 265 S C 0.972 175.654 174.600 0.136 0.000 0.986 265 S CA -0.281 57.960 58.200 0.070 0.000 0.929 265 S CB -0.079 63.197 63.200 0.126 0.000 0.769 265 S HN 0.193 nan 8.310 nan 0.000 0.529 266 L N 3.670 124.954 121.223 0.102 0.000 2.574 266 L HA 0.295 4.632 4.340 -0.005 0.000 0.281 266 L C -0.107 176.831 176.870 0.113 0.000 1.212 266 L CA 0.200 55.103 54.840 0.105 0.000 1.082 266 L CB -0.710 41.382 42.059 0.055 0.000 1.362 266 L HN 0.078 nan 8.230 nan 0.000 0.451 267 K N 4.373 124.860 120.400 0.145 0.000 2.098 267 K HA 0.364 4.681 4.320 -0.005 0.000 0.261 267 K C -0.233 176.470 176.600 0.171 0.000 0.987 267 K CA -0.733 55.635 56.287 0.133 0.000 0.916 267 K CB 1.670 34.242 32.500 0.121 0.000 1.039 267 K HN 0.468 nan 8.250 nan 0.000 0.455 268 R N 3.818 124.414 120.500 0.160 0.000 2.363 268 R HA 0.238 4.575 4.340 -0.005 0.000 0.297 268 R C -0.450 175.881 176.300 0.052 0.000 1.208 268 R CA -0.347 55.860 56.100 0.178 0.000 1.121 268 R CB -0.207 30.270 30.300 0.296 0.000 1.124 268 R HN 0.625 nan 8.270 nan 0.000 0.561 269 I N 1.271 121.837 120.570 -0.007 0.000 2.488 269 I HA 0.602 4.769 4.170 -0.005 0.000 0.299 269 I C -2.370 173.698 176.117 -0.082 0.000 0.984 269 I CA -2.939 58.346 61.300 -0.026 0.000 1.250 269 I CB 1.290 39.281 38.000 -0.015 0.000 1.389 269 I HN 0.282 nan 8.210 nan 0.000 0.488 270 P HA 0.332 nan 4.420 nan 0.000 0.276 270 P C -0.819 176.439 177.300 -0.070 0.000 1.244 270 P CA -0.321 62.744 63.100 -0.058 0.000 0.801 270 P CB 0.909 32.623 31.700 0.023 0.000 1.006 271 I N 1.814 122.321 120.570 -0.104 0.000 2.330 271 I HA 0.265 4.432 4.170 -0.005 0.000 0.289 271 I C 0.490 176.584 176.117 -0.038 0.000 1.001 271 I CA -0.365 60.880 61.300 -0.092 0.000 1.193 271 I CB 0.537 38.443 38.000 -0.157 0.000 1.345 271 I HN 0.325 nan 8.210 nan 0.000 0.461 272 E N 4.445 124.636 120.200 -0.015 0.000 2.175 272 E HA 0.180 4.527 4.350 -0.005 0.000 0.278 272 E C -0.379 176.218 176.600 -0.006 0.000 0.969 272 E CA -0.536 55.867 56.400 0.005 0.000 0.796 272 E CB 1.049 30.754 29.700 0.009 0.000 1.104 272 E HN 0.432 nan 8.360 nan 0.000 0.395 273 D N 2.100 122.502 120.400 0.003 0.000 2.737 273 D HA -0.256 4.381 4.640 -0.005 0.000 0.233 273 D C 0.833 177.129 176.300 -0.007 0.000 1.155 273 D CA 1.894 55.896 54.000 0.004 0.000 0.667 273 D CB -0.984 39.820 40.800 0.007 0.000 1.060 273 D HN 0.904 nan 8.370 nan 0.000 0.427 274 G N -2.285 106.499 108.800 -0.027 0.000 2.420 274 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.221 274 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.221 274 G C 0.567 175.440 174.900 -0.046 0.000 1.117 274 G CA 0.329 45.404 45.100 -0.042 0.000 0.657 274 G HN 0.659 nan 8.290 nan 0.000 0.512 275 S N 0.296 115.978 115.700 -0.030 0.000 2.672 275 S HA 0.687 5.154 4.470 -0.005 0.000 0.276 275 S C 0.301 174.883 174.600 -0.031 0.000 1.207 275 S CA 0.325 58.509 58.200 -0.026 0.000 1.002 275 S CB 1.745 64.937 63.200 -0.014 0.000 0.998 275 S HN 1.801 nan 8.310 nan 0.000 0.542 276 G N 1.253 110.037 108.800 -0.025 0.000 2.029 276 G HA2 0.326 4.283 3.960 -0.005 0.000 0.293 276 G HA3 0.326 4.283 3.960 -0.005 0.000 0.293 276 G C -1.051 173.844 174.900 -0.009 0.000 1.362 276 G CA -0.542 44.543 45.100 -0.024 0.000 1.226 276 G HN 0.508 nan 8.290 nan 0.000 0.599 277 E N 0.195 120.395 120.200 0.001 0.000 2.374 277 E HA 0.584 4.931 4.350 -0.005 0.000 0.260 277 E C -0.635 175.982 176.600 0.028 0.000 1.101 277 E CA -0.258 56.150 56.400 0.014 0.000 0.907 277 E CB 2.545 32.251 29.700 0.011 0.000 1.014 277 E HN 0.407 nan 8.360 nan 0.000 0.427 278 V N 1.640 121.583 119.914 0.049 0.000 3.236 278 V HA 0.287 4.404 4.120 -0.005 0.000 0.287 278 V C -1.781 174.369 176.094 0.093 0.000 1.491 278 V CA -0.648 61.701 62.300 0.082 0.000 1.037 278 V CB 2.422 34.317 31.823 0.119 0.000 1.160 278 V HN 0.361 nan 8.190 nan 0.000 0.453 279 V N 5.035 124.983 119.914 0.057 0.000 2.623 279 V HA 0.489 4.606 4.120 -0.005 0.000 0.304 279 V C -0.666 175.281 176.094 -0.245 0.000 1.054 279 V CA -0.592 61.671 62.300 -0.061 0.000 0.882 279 V CB 1.675 33.460 31.823 -0.062 0.000 1.002 279 V HN 0.886 nan 8.190 nan 0.000 0.424 280 L N 5.868 126.691 121.223 -0.667 0.000 2.283 280 L HA 0.606 4.943 4.340 -0.005 0.000 0.287 280 L C 0.772 177.328 176.870 -0.523 0.000 1.073 280 L CA 0.621 54.882 54.840 -0.965 0.000 0.822 280 L CB 0.960 41.844 42.059 -1.958 0.000 1.186 280 L HN 0.838 nan 8.230 nan 0.000 0.436 281 S N 4.605 120.114 115.700 -0.318 0.000 2.633 281 S HA 0.261 4.728 4.470 -0.005 0.000 0.257 281 S C 1.134 175.625 174.600 -0.182 0.000 1.265 281 S CA 0.005 58.095 58.200 -0.183 0.000 0.980 281 S CB 0.576 63.714 63.200 -0.103 0.000 1.017 281 S HN 0.848 nan 8.310 nan 0.000 0.577 282 R N 0.546 121.012 120.500 -0.057 0.000 2.052 282 R HA 0.022 4.359 4.340 -0.005 0.000 0.226 282 R C 2.467 178.758 176.300 -0.015 0.000 1.145 282 R CA 1.179 57.286 56.100 0.011 0.000 0.952 282 R CB -0.559 29.826 30.300 0.143 0.000 0.847 282 R HN 0.826 nan 8.270 nan 0.000 0.431 283 K N 0.383 120.779 120.400 -0.006 0.000 2.103 283 K HA -0.112 4.205 4.320 -0.005 0.000 0.207 283 K C 1.777 178.361 176.600 -0.028 0.000 1.048 283 K CA 1.620 57.904 56.287 -0.006 0.000 0.930 283 K CB 0.043 32.542 32.500 -0.002 0.000 0.716 283 K HN 0.102 nan 8.250 nan 0.000 0.444 284 V N 1.715 121.595 119.914 -0.056 0.000 2.515 284 V HA -0.215 3.902 4.120 -0.005 0.000 0.250 284 V C 2.193 178.238 176.094 -0.082 0.000 1.058 284 V CA 1.253 63.512 62.300 -0.068 0.000 1.064 284 V CB -0.405 31.364 31.823 -0.089 0.000 0.675 284 V HN 0.371 nan 8.190 nan 0.000 0.461 285 L N 0.162 121.318 121.223 -0.112 0.000 1.993 285 L HA -0.036 4.301 4.340 -0.005 0.000 0.206 285 L C 2.197 179.039 176.870 -0.048 0.000 1.074 285 L CA 1.858 56.630 54.840 -0.113 0.000 0.746 285 L CB -0.988 40.967 42.059 -0.173 0.000 0.896 285 L HN 0.165 nan 8.230 nan 0.000 0.435 286 L N 0.105 121.319 121.223 -0.016 0.000 2.129 286 L HA -0.242 4.095 4.340 -0.005 0.000 0.212 286 L C 2.183 179.055 176.870 0.004 0.000 1.087 286 L CA 1.393 56.239 54.840 0.011 0.000 0.757 286 L CB -0.833 41.247 42.059 0.035 0.000 0.896 286 L HN 0.393 nan 8.230 nan 0.000 0.434 287 D N -0.237 120.160 120.400 -0.006 0.000 2.310 287 D HA -0.097 4.540 4.640 -0.005 0.000 0.212 287 D C 1.993 178.290 176.300 -0.005 0.000 0.965 287 D CA 1.278 55.276 54.000 -0.004 0.000 0.879 287 D CB 0.015 40.811 40.800 -0.007 0.000 0.921 287 D HN 0.393 nan 8.370 nan 0.000 0.510 288 G N -0.236 108.558 108.800 -0.011 0.000 2.880 288 G HA2 0.044 4.001 3.960 -0.005 0.000 0.209 288 G HA3 0.044 4.001 3.960 -0.005 0.000 0.209 288 G C 0.636 175.535 174.900 -0.000 0.000 1.157 288 G CA -0.041 45.054 45.100 -0.008 0.000 0.779 288 G HN 0.117 nan 8.290 nan 0.000 0.539 289 V N 1.371 121.287 119.914 0.003 0.000 2.220 289 V HA 0.154 4.271 4.120 -0.005 0.000 0.265 289 V C 0.653 176.755 176.094 0.013 0.000 1.078 289 V CA -0.296 62.011 62.300 0.011 0.000 0.872 289 V CB 0.841 32.674 31.823 0.016 0.000 1.121 289 V HN 0.321 nan 8.190 nan 0.000 0.460 290 Q N 1.616 121.423 119.800 0.012 0.000 2.541 290 Q HA -0.095 4.242 4.340 -0.005 0.000 0.215 290 Q C 1.709 177.717 176.000 0.013 0.000 0.977 290 Q CA 0.534 56.343 55.803 0.011 0.000 0.934 290 Q CB -0.154 28.590 28.738 0.010 0.000 0.988 290 Q HN 0.622 nan 8.270 nan 0.000 0.521 291 N N 0.470 119.179 118.700 0.015 0.000 2.272 291 N HA -0.079 4.658 4.740 -0.005 0.000 0.185 291 N C -0.334 175.187 175.510 0.017 0.000 1.014 291 N CA 0.429 53.489 53.050 0.017 0.000 0.870 291 N CB -0.105 38.393 38.487 0.019 0.000 0.975 291 N HN 0.240 nan 8.380 nan 0.000 0.433 292 L N 0.338 121.572 121.223 0.019 0.000 3.443 292 L HA -0.273 4.064 4.340 -0.005 0.000 0.564 292 L C 0.418 177.300 176.870 0.019 0.000 1.010 292 L CA 0.488 55.339 54.840 0.019 0.000 1.131 292 L CB -0.835 41.233 42.059 0.015 0.000 1.030 292 L HN 0.390 nan 8.230 nan 0.000 0.641 293 R N 2.286 122.800 120.500 0.025 0.000 2.524 293 R HA 0.252 4.589 4.340 -0.005 0.000 0.163 293 R C 1.105 177.427 176.300 0.037 0.000 1.269 293 R CA 0.409 56.524 56.100 0.025 0.000 0.847 293 R CB -0.323 29.989 30.300 0.020 0.000 1.381 293 R HN 0.555 nan 8.270 nan 0.000 0.552 294 A N 1.364 124.213 122.820 0.048 0.000 1.933 294 A HA -0.379 3.938 4.320 -0.005 0.000 0.252 294 A C 1.542 179.169 177.584 0.071 0.000 2.192 294 A CA 2.556 54.638 52.037 0.075 0.000 0.766 294 A CB -0.548 18.519 19.000 0.112 0.000 0.834 294 A HN 0.727 nan 8.150 nan 0.000 0.553 295 E N -0.010 120.231 120.200 0.068 0.000 2.209 295 E HA -0.129 4.217 4.350 -0.005 0.000 0.196 295 E C 1.423 178.032 176.600 0.015 0.000 0.993 295 E CA 1.173 57.597 56.400 0.039 0.000 0.819 295 E CB -0.434 29.291 29.700 0.042 0.000 0.745 295 E HN 0.725 nan 8.360 nan 0.000 0.477 296 D N -0.179 120.235 120.400 0.023 0.000 2.315 296 D HA -0.163 4.474 4.640 -0.005 0.000 0.211 296 D C 1.447 177.758 176.300 0.019 0.000 0.977 296 D CA 0.660 54.672 54.000 0.020 0.000 0.894 296 D CB -0.130 40.683 40.800 0.023 0.000 0.910 296 D HN 0.286 nan 8.370 nan 0.000 0.490 297 L N 0.214 121.449 121.223 0.021 0.000 2.492 297 L HA 0.021 4.358 4.340 -0.005 0.000 0.223 297 L C 0.563 177.439 176.870 0.011 0.000 1.132 297 L CA -0.150 54.706 54.840 0.027 0.000 0.850 297 L CB -0.051 42.037 42.059 0.049 0.000 0.966 297 L HN -0.185 nan 8.230 nan 0.000 0.454 298 V N 1.956 121.859 119.914 -0.018 0.000 2.644 298 V HA -0.061 4.056 4.120 -0.005 0.000 0.303 298 V C 1.518 177.607 176.094 -0.009 0.000 1.058 298 V CA 1.598 63.875 62.300 -0.038 0.000 1.228 298 V CB -0.201 31.594 31.823 -0.046 0.000 0.861 298 V HN 0.721 nan 8.190 nan 0.000 0.484 299 G N 4.292 113.089 108.800 -0.005 0.000 2.304 299 G HA2 -0.276 3.680 3.960 -0.005 0.000 0.252 299 G HA3 -0.276 3.680 3.960 -0.005 0.000 0.252 299 G C 0.337 175.259 174.900 0.037 0.000 1.014 299 G CA 0.290 45.399 45.100 0.016 0.000 0.619 299 G HN 0.637 nan 8.290 nan 0.000 0.525 300 K N 2.217 122.642 120.400 0.041 0.000 2.379 300 K HA 0.431 4.748 4.320 -0.005 0.000 0.284 300 K C 0.884 177.530 176.600 0.077 0.000 1.044 300 K CA 0.438 56.760 56.287 0.058 0.000 0.974 300 K CB 0.820 33.352 32.500 0.053 0.000 0.962 300 K HN 0.496 nan 8.250 nan 0.000 0.474 301 S N 3.058 118.813 115.700 0.092 0.000 2.624 301 S HA 0.391 4.858 4.470 -0.005 0.000 0.263 301 S C 0.228 174.902 174.600 0.122 0.000 1.287 301 S CA -0.857 57.411 58.200 0.113 0.000 0.990 301 S CB 0.668 63.939 63.200 0.119 0.000 0.950 301 S HN 0.384 nan 8.310 nan 0.000 0.561 302 L N 0.703 122.003 121.223 0.128 0.000 2.303 302 L HA 0.710 5.047 4.340 -0.005 0.000 0.266 302 L C -1.093 175.878 176.870 0.169 0.000 1.011 302 L CA -1.137 53.757 54.840 0.091 0.000 0.818 302 L CB 1.554 43.645 42.059 0.055 0.000 1.326 302 L HN 0.906 nan 8.230 nan 0.000 0.435 303 Y N -0.833 119.518 120.300 0.086 0.000 2.513 303 Y HA 0.764 5.311 4.550 -0.005 0.000 0.340 303 Y C -1.557 174.326 175.900 -0.029 0.000 1.055 303 Y CA -1.382 56.737 58.100 0.032 0.000 1.020 303 Y CB 1.051 39.520 38.460 0.015 0.000 1.301 303 Y HN 0.138 nan 8.280 nan 0.000 0.453 304 V N 3.072 123.022 119.914 0.060 0.000 2.417 304 V HA 0.566 4.683 4.120 -0.005 0.000 0.291 304 V C -0.288 175.760 176.094 -0.075 0.000 1.024 304 V CA -0.607 61.539 62.300 -0.256 0.000 0.861 304 V CB 1.357 32.944 31.823 -0.394 0.000 0.985 304 V HN 0.875 nan 8.190 nan 0.000 0.436 305 S N 3.588 119.240 115.700 -0.079 0.000 2.437 305 S HA 0.821 5.288 4.470 -0.005 0.000 0.305 305 S C -0.021 174.526 174.600 -0.088 0.000 1.109 305 S CA -0.070 58.111 58.200 -0.031 0.000 1.099 305 S CB 1.049 64.276 63.200 0.045 0.000 1.004 305 S HN 1.100 nan 8.310 nan 0.000 0.475 306 A N 3.500 126.285 122.820 -0.058 0.000 2.288 306 A HA 0.859 5.176 4.320 -0.005 0.000 0.328 306 A C -0.387 177.211 177.584 0.023 0.000 1.123 306 A CA -0.677 51.343 52.037 -0.029 0.000 0.861 306 A CB 1.227 20.199 19.000 -0.045 0.000 1.272 306 A HN 0.734 nan 8.150 nan 0.000 0.490 307 T N 0.870 115.461 114.554 0.061 0.000 3.223 307 T HA 0.319 4.666 4.350 -0.005 0.000 0.334 307 T C -0.991 173.738 174.700 0.049 0.000 0.940 307 T CA -0.264 61.900 62.100 0.107 0.000 1.272 307 T CB 0.457 69.465 68.868 0.234 0.000 0.982 307 T HN 0.457 nan 8.240 nan 0.000 0.512 308 V N 4.551 124.482 119.914 0.029 0.000 2.498 308 V HA 0.526 4.643 4.120 -0.005 0.000 0.279 308 V C 0.019 176.131 176.094 0.031 0.000 1.048 308 V CA -0.409 61.872 62.300 -0.032 0.000 0.967 308 V CB 0.977 32.807 31.823 0.012 0.000 0.988 308 V HN 0.697 nan 8.190 nan 0.000 0.473 309 I N 5.621 126.111 120.570 -0.132 0.000 2.545 309 I HA 0.437 4.603 4.170 -0.005 0.000 0.292 309 I C -0.248 175.735 176.117 -0.224 0.000 1.040 309 I CA -0.678 60.577 61.300 -0.075 0.000 1.068 309 I CB 1.965 39.938 38.000 -0.046 0.000 1.251 309 I HN 0.356 nan 8.210 nan 0.000 0.424 310 L N 3.837 124.963 121.223 -0.163 0.000 2.466 310 L HA 0.227 4.564 4.340 -0.005 0.000 0.257 310 L C 1.012 177.809 176.870 -0.123 0.000 1.189 310 L CA -0.306 54.408 54.840 -0.210 0.000 0.813 310 L CB 0.246 42.256 42.059 -0.081 0.000 1.118 310 L HN 0.624 nan 8.230 nan 0.000 0.471 311 H N -0.849 118.204 119.070 -0.028 0.000 2.547 311 H HA -0.076 4.477 4.556 -0.005 0.000 0.272 311 H C 2.033 177.372 175.328 0.019 0.000 0.989 311 H CA 0.850 56.893 56.048 -0.008 0.000 1.214 311 H CB 0.433 30.187 29.762 -0.013 0.000 1.389 311 H HN 0.756 nan 8.280 nan 0.000 0.577 312 S N -1.429 114.355 115.700 0.141 0.000 2.388 312 S HA 0.078 4.545 4.470 -0.005 0.000 0.223 312 S C 1.989 176.645 174.600 0.094 0.000 1.034 312 S CA 0.628 58.893 58.200 0.108 0.000 0.963 312 S CB 0.268 63.533 63.200 0.109 0.000 0.827 312 S HN 0.542 nan 8.310 nan 0.000 0.481 313 G N 0.289 109.143 108.800 0.091 0.000 2.184 313 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.206 313 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.206 313 G C 0.930 175.885 174.900 0.092 0.000 0.995 313 G CA 0.407 45.558 45.100 0.084 0.000 0.651 313 G HN 0.582 nan 8.290 nan 0.000 0.511 314 S N -0.306 115.460 115.700 0.110 0.000 2.402 314 S HA 0.226 4.693 4.470 -0.005 0.000 0.229 314 S C 0.658 175.334 174.600 0.126 0.000 1.021 314 S CA 1.508 59.778 58.200 0.117 0.000 0.974 314 S CB 0.192 63.477 63.200 0.142 0.000 0.800 314 S HN 0.708 nan 8.310 nan 0.000 0.484 315 D N -0.632 119.864 120.400 0.160 0.000 2.609 315 D HA 0.571 5.208 4.640 -0.005 0.000 0.239 315 D C -0.867 175.551 176.300 0.198 0.000 1.229 315 D CA -0.631 53.465 54.000 0.160 0.000 0.808 315 D CB 1.592 42.505 40.800 0.189 0.000 1.448 315 D HN 0.190 nan 8.370 nan 0.000 0.433 316 M N 0.311 119.975 119.600 0.106 0.000 2.716 316 M HA 0.824 5.301 4.480 -0.005 0.000 0.278 316 M C -1.724 174.534 176.300 -0.070 0.000 1.281 316 M CA -0.935 54.437 55.300 0.121 0.000 0.814 316 M CB 2.504 35.168 32.600 0.108 0.000 1.719 316 M HN 0.148 nan 8.290 nan 0.000 0.457 317 V N 0.612 120.491 119.914 -0.058 0.000 2.966 317 V HA 0.398 4.515 4.120 -0.005 0.000 0.288 317 V C -1.818 174.244 176.094 -0.054 0.000 1.380 317 V CA -0.226 61.986 62.300 -0.146 0.000 0.966 317 V CB 2.743 34.340 31.823 -0.377 0.000 1.115 317 V HN 1.104 nan 8.190 nan 0.000 0.436 318 Q N 3.189 122.961 119.800 -0.046 0.000 2.212 318 Q HA 0.905 5.242 4.340 -0.005 0.000 0.238 318 Q C -0.371 175.607 176.000 -0.038 0.000 0.955 318 Q CA -0.100 55.692 55.803 -0.019 0.000 0.906 318 Q CB 2.040 30.773 28.738 -0.010 0.000 1.215 318 Q HN 1.288 nan 8.270 nan 0.000 0.478 319 A N 1.481 124.285 122.820 -0.026 0.000 2.577 319 A HA 0.494 4.811 4.320 -0.005 0.000 0.297 319 A C -1.751 175.818 177.584 -0.026 0.000 1.060 319 A CA -0.729 51.289 52.037 -0.031 0.000 0.697 319 A CB 1.535 20.517 19.000 -0.030 0.000 1.281 319 A HN 0.760 nan 8.150 nan 0.000 0.402 320 E N 1.102 121.289 120.200 -0.023 0.000 2.308 320 E HA 0.671 5.018 4.350 -0.005 0.000 0.275 320 E C -0.964 175.636 176.600 0.001 0.000 0.890 320 E CA -0.908 55.486 56.400 -0.011 0.000 0.754 320 E CB 1.822 31.513 29.700 -0.014 0.000 1.207 320 E HN 0.506 nan 8.360 nan 0.000 0.426 321 R N 2.172 122.684 120.500 0.021 0.000 2.215 321 R HA 0.326 4.663 4.340 -0.005 0.000 0.337 321 R C -1.312 175.038 176.300 0.084 0.000 1.010 321 R CA -0.234 55.889 56.100 0.038 0.000 0.871 321 R CB 1.040 31.360 30.300 0.033 0.000 1.134 321 R HN 0.571 nan 8.270 nan 0.000 0.477 322 S N 2.438 118.178 115.700 0.067 0.000 2.480 322 S HA 0.655 5.122 4.470 -0.005 0.000 0.286 322 S C 0.114 174.769 174.600 0.093 0.000 1.180 322 S CA -0.297 57.958 58.200 0.091 0.000 1.075 322 S CB 1.740 64.945 63.200 0.010 0.000 0.996 322 S HN 0.888 nan 8.310 nan 0.000 0.487 323 G N 2.371 111.248 108.800 0.128 0.000 2.970 323 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.249 323 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.249 323 G C -0.527 174.443 174.900 0.116 0.000 1.113 323 G CA -0.908 44.258 45.100 0.110 0.000 1.119 323 G HN 0.741 nan 8.290 nan 0.000 0.552 324 I N 1.405 122.057 120.570 0.136 0.000 2.307 324 I HA 0.275 4.442 4.170 -0.005 0.000 0.287 324 I C -2.108 174.110 176.117 0.167 0.000 1.054 324 I CA -2.423 58.968 61.300 0.150 0.000 1.218 324 I CB 1.629 39.719 38.000 0.150 0.000 1.398 324 I HN -0.036 nan 8.210 nan 0.000 0.475 325 P HA 0.178 nan 4.420 nan 0.000 0.269 325 P C -0.225 177.176 177.300 0.168 0.000 1.252 325 P CA 0.036 63.220 63.100 0.140 0.000 0.780 325 P CB 0.306 32.067 31.700 0.102 0.000 0.829 326 I N 4.972 125.623 120.570 0.135 0.000 2.347 326 I HA 0.136 4.303 4.170 -0.005 0.000 0.294 326 I C 0.664 176.774 176.117 -0.011 0.000 1.090 326 I CA -0.074 61.303 61.300 0.129 0.000 1.314 326 I CB 0.096 38.180 38.000 0.140 0.000 1.423 326 I HN 0.154 nan 8.210 nan 0.000 0.503 327 V N 1.994 121.850 119.914 -0.097 0.000 3.130 327 V HA 0.522 4.639 4.120 -0.005 0.000 0.310 327 V C 0.481 176.332 176.094 -0.405 0.000 1.158 327 V CA -0.487 61.686 62.300 -0.212 0.000 1.029 327 V CB 1.681 33.370 31.823 -0.224 0.000 1.057 327 V HN 0.669 nan 8.190 nan 0.000 0.436 328 T N -1.820 112.506 114.554 -0.379 0.000 3.069 328 T HA 0.383 4.730 4.350 -0.005 0.000 0.252 328 T C 0.457 175.024 174.700 -0.222 0.000 1.053 328 T CA 0.571 62.377 62.100 -0.488 0.000 0.964 328 T CB -0.213 68.430 68.868 -0.375 0.000 1.005 328 T HN 1.255 nan 8.240 nan 0.000 0.532 329 S N 1.084 116.663 115.700 -0.202 0.000 2.543 329 S HA 0.548 5.015 4.470 -0.005 0.000 0.273 329 S C -2.890 171.477 174.600 -0.388 0.000 1.152 329 S CA -1.045 57.066 58.200 -0.148 0.000 0.910 329 S CB 2.047 65.213 63.200 -0.057 0.000 1.105 329 S HN -0.021 nan 8.310 nan 0.000 0.465 330 P HA 0.257 nan 4.420 nan 0.000 0.255 330 P C -0.965 175.780 177.300 -0.925 0.000 1.301 330 P CA 0.449 62.938 63.100 -1.017 0.000 0.817 330 P CB -0.325 30.831 31.700 -0.907 0.000 1.259 331 Y N -1.102 119.057 120.300 -0.235 0.000 2.698 331 Y HA 0.686 5.232 4.550 -0.005 0.000 0.332 331 Y C 0.240 176.029 175.900 -0.184 0.000 1.119 331 Y CA -0.936 57.057 58.100 -0.177 0.000 1.109 331 Y CB 1.590 39.961 38.460 -0.149 0.000 1.308 331 Y HN -0.335 nan 8.280 nan 0.000 0.499 332 Q N 1.137 120.924 119.800 -0.023 0.000 2.430 332 Q HA 0.522 4.859 4.340 -0.005 0.000 0.253 332 Q C -2.249 173.529 176.000 -0.369 0.000 0.945 332 Q CA -0.240 55.452 55.803 -0.185 0.000 0.964 332 Q CB 1.845 30.527 28.738 -0.093 0.000 1.460 332 Q HN 0.683 nan 8.270 nan 0.000 0.428 333 I N 2.830 123.077 120.570 -0.538 0.000 2.474 333 I HA 0.479 4.645 4.170 -0.005 0.000 0.294 333 I C -0.990 174.607 176.117 -0.867 0.000 1.005 333 I CA -0.793 60.153 61.300 -0.589 0.000 1.113 333 I CB 1.665 39.399 38.000 -0.444 0.000 1.289 333 I HN 0.631 nan 8.210 nan 0.000 0.436 334 H N 4.917 123.818 119.070 -0.282 0.000 2.689 334 H HA 0.368 4.921 4.556 -0.005 0.000 0.346 334 H C -0.927 174.257 175.328 -0.240 0.000 1.037 334 H CA -0.499 55.445 56.048 -0.174 0.000 1.234 334 H CB 1.344 31.198 29.762 0.153 0.000 1.572 334 H HN 0.409 nan 8.280 nan 0.000 0.524 335 F N 1.054 121.142 119.950 0.230 0.000 2.949 335 F HA 0.065 4.589 4.527 -0.005 0.000 0.291 335 F C 2.020 177.906 175.800 0.143 0.000 1.214 335 F CA -0.168 57.934 58.000 0.171 0.000 1.381 335 F CB -0.164 38.913 39.000 0.127 0.000 1.066 335 F HN 0.632 nan 8.300 nan 0.000 0.520 336 T N -1.993 112.701 114.554 0.233 0.000 2.821 336 T HA -0.152 4.195 4.350 -0.005 0.000 0.267 336 T C 1.867 176.605 174.700 0.063 0.000 1.046 336 T CA 1.271 63.429 62.100 0.096 0.000 1.139 336 T CB -0.037 68.817 68.868 -0.024 0.000 0.871 336 T HN 0.332 nan 8.240 nan 0.000 0.454 337 K N 0.497 120.971 120.400 0.122 0.000 2.365 337 K HA 0.123 4.440 4.320 -0.005 0.000 0.197 337 K C 0.512 177.233 176.600 0.202 0.000 1.042 337 K CA 0.355 56.736 56.287 0.157 0.000 0.987 337 K CB 0.135 32.769 32.500 0.223 0.000 0.779 337 K HN 0.253 nan 8.250 nan 0.000 0.484 338 T N 3.649 118.341 114.554 0.230 0.000 2.806 338 T HA 0.177 4.524 4.350 -0.005 0.000 0.290 338 T C -2.444 172.379 174.700 0.205 0.000 0.966 338 T CA -1.735 60.492 62.100 0.212 0.000 1.060 338 T CB 1.469 70.518 68.868 0.302 0.000 0.927 338 T HN 0.009 nan 8.240 nan 0.000 0.485 339 P HA 0.109 nan 4.420 nan 0.000 0.271 339 P C 0.078 177.548 177.300 0.284 0.000 1.238 339 P CA -0.243 63.013 63.100 0.260 0.000 0.794 339 P CB 0.712 32.608 31.700 0.327 0.000 0.959 340 K N 0.035 120.504 120.400 0.114 0.000 2.455 340 K HA 0.203 4.520 4.320 -0.005 0.000 0.206 340 K C -0.563 175.711 176.600 -0.544 0.000 1.027 340 K CA 0.030 56.182 56.287 -0.224 0.000 1.113 340 K CB 0.086 32.330 32.500 -0.428 0.000 0.850 340 K HN 0.487 nan 8.250 nan 0.000 0.503 341 Y N 0.377 120.761 120.300 0.140 0.000 2.362 341 Y HA 0.255 4.802 4.550 -0.005 0.000 0.326 341 Y C -0.055 175.902 175.900 0.094 0.000 1.083 341 Y CA -1.852 56.262 58.100 0.024 0.000 1.073 341 Y CB 0.946 39.428 38.460 0.037 0.000 1.211 341 Y HN -0.039 nan 8.280 nan 0.000 0.433 342 F N -0.117 119.854 119.950 0.036 0.000 2.452 342 F HA 0.914 5.438 4.527 -0.005 0.000 0.353 342 F C -0.882 174.948 175.800 0.049 0.000 1.089 342 F CA -1.585 56.410 58.000 -0.008 0.000 1.080 342 F CB 0.836 39.613 39.000 -0.372 0.000 1.399 342 F HN 0.089 nan 8.300 nan 0.000 0.492 343 K N 1.069 121.578 120.400 0.182 0.000 2.559 343 K HA 0.416 4.733 4.320 -0.005 0.000 0.249 343 K C -2.849 173.666 176.600 -0.142 0.000 0.958 343 K CA -1.970 54.216 56.287 -0.168 0.000 0.901 343 K CB 1.227 33.518 32.500 -0.347 0.000 1.124 343 K HN 0.197 nan 8.250 nan 0.000 0.437 344 P HA -0.113 nan 4.420 nan 0.000 0.255 344 P C 0.850 178.051 177.300 -0.166 0.000 1.161 344 P CA 1.396 64.531 63.100 0.059 0.000 0.768 344 P CB 0.539 32.299 31.700 0.101 0.000 0.746 345 G N 2.645 111.387 108.800 -0.096 0.000 2.383 345 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.229 345 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.229 345 G C 0.332 175.146 174.900 -0.144 0.000 1.089 345 G CA 0.053 45.082 45.100 -0.118 0.000 0.640 345 G HN 0.459 nan 8.290 nan 0.000 0.510 346 M N 1.568 121.053 119.600 -0.191 0.000 2.159 346 M HA 0.422 4.899 4.480 -0.005 0.000 0.293 346 M C -2.142 174.065 176.300 -0.155 0.000 1.186 346 M CA -1.492 53.699 55.300 -0.182 0.000 1.073 346 M CB 0.105 32.540 32.600 -0.275 0.000 1.419 346 M HN -0.002 nan 8.290 nan 0.000 0.490 347 P HA 0.140 nan 4.420 nan 0.000 0.274 347 P C -1.382 175.893 177.300 -0.042 0.000 1.256 347 P CA -0.104 62.956 63.100 -0.068 0.000 0.795 347 P CB 0.389 32.092 31.700 0.005 0.000 1.038 348 F N 0.818 120.719 119.950 -0.082 0.000 2.716 348 F HA 0.310 4.834 4.527 -0.005 0.000 0.354 348 F C -1.236 174.593 175.800 0.048 0.000 1.168 348 F CA -0.845 57.152 58.000 -0.005 0.000 1.045 348 F CB 0.817 39.821 39.000 0.006 0.000 1.311 348 F HN 0.089 nan 8.300 nan 0.000 0.477 349 D N 6.433 126.625 120.400 -0.346 0.000 2.256 349 D HA 0.330 4.967 4.640 -0.005 0.000 0.250 349 D C -0.595 175.388 176.300 -0.528 0.000 1.093 349 D CA 0.052 53.872 54.000 -0.301 0.000 0.882 349 D CB 2.512 43.251 40.800 -0.101 0.000 1.185 349 D HN 0.504 nan 8.370 nan 0.000 0.437 350 L N 2.746 123.770 121.223 -0.331 0.000 2.301 350 L HA 0.189 4.526 4.340 -0.005 0.000 0.278 350 L C -0.024 176.837 176.870 -0.014 0.000 1.022 350 L CA -0.585 54.126 54.840 -0.215 0.000 0.854 350 L CB 0.917 42.938 42.059 -0.064 0.000 1.226 350 L HN 0.130 nan 8.230 nan 0.000 0.429 351 M N 4.100 123.720 119.600 0.033 0.000 3.070 351 M HA 0.126 4.603 4.480 -0.005 0.000 0.275 351 M C -0.288 176.118 176.300 0.176 0.000 1.510 351 M CA -0.110 55.251 55.300 0.101 0.000 1.608 351 M CB -0.462 32.213 32.600 0.124 0.000 1.266 351 M HN 0.062 nan 8.290 nan 0.000 0.514 352 V N 4.446 124.444 119.914 0.140 0.000 2.479 352 V HA 0.096 4.213 4.120 -0.005 0.000 0.281 352 V C -0.090 176.084 176.094 0.133 0.000 1.031 352 V CA -0.160 62.202 62.300 0.103 0.000 1.038 352 V CB 0.014 31.860 31.823 0.037 0.000 0.981 352 V HN 0.533 nan 8.190 nan 0.000 0.478 353 F N 6.219 126.151 119.950 -0.030 0.000 2.422 353 F HA 0.751 5.275 4.527 -0.005 0.000 0.333 353 F C -0.322 175.489 175.800 0.018 0.000 1.095 353 F CA -0.566 57.453 58.000 0.031 0.000 1.038 353 F CB 1.629 40.685 39.000 0.093 0.000 1.156 353 F HN 0.229 nan 8.300 nan 0.000 0.483 354 V N 4.094 123.490 119.914 -0.863 0.000 2.777 354 V HA 0.573 4.690 4.120 -0.005 0.000 0.306 354 V C -0.750 175.035 176.094 -0.515 0.000 1.112 354 V CA -0.294 61.704 62.300 -0.504 0.000 0.917 354 V CB 2.402 34.063 31.823 -0.270 0.000 1.018 354 V HN 1.008 nan 8.190 nan 0.000 0.426 355 T N 1.472 115.884 114.554 -0.238 0.000 2.896 355 T HA 0.552 4.899 4.350 -0.005 0.000 0.297 355 T C -0.627 174.061 174.700 -0.021 0.000 1.108 355 T CA -0.911 61.112 62.100 -0.128 0.000 1.004 355 T CB 1.949 70.799 68.868 -0.031 0.000 1.159 355 T HN 0.456 nan 8.240 nan 0.000 0.499 356 N N 1.970 120.650 118.700 -0.033 0.000 2.354 356 N HA 0.246 4.983 4.740 -0.005 0.000 0.246 356 N C -1.894 173.586 175.510 -0.050 0.000 1.285 356 N CA -1.555 51.435 53.050 -0.101 0.000 0.925 356 N CB 0.526 38.992 38.487 -0.035 0.000 1.174 356 N HN 0.466 nan 8.380 nan 0.000 0.478 357 P HA -0.067 nan 4.420 nan 0.000 0.228 357 P C -0.070 177.257 177.300 0.045 0.000 1.151 357 P CA 1.095 64.175 63.100 -0.034 0.000 0.770 357 P CB 0.031 31.691 31.700 -0.066 0.000 0.786 358 D N -1.134 119.306 120.400 0.066 0.000 2.894 358 D HA 0.162 4.799 4.640 -0.005 0.000 0.248 358 D C 1.060 177.406 176.300 0.077 0.000 1.291 358 D CA -0.724 53.322 54.000 0.076 0.000 0.840 358 D CB -1.316 39.534 40.800 0.083 0.000 1.044 358 D HN 0.051 nan 8.370 nan 0.000 0.484 359 G N 0.769 109.619 108.800 0.083 0.000 2.402 359 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.300 359 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.300 359 G C 0.385 175.363 174.900 0.129 0.000 0.987 359 G CA 0.919 46.081 45.100 0.104 0.000 0.881 359 G HN 0.797 nan 8.290 nan 0.000 0.512 360 S N -0.557 115.208 115.700 0.109 0.000 2.718 360 S HA 0.868 5.335 4.470 -0.005 0.000 0.300 360 S C -2.206 172.457 174.600 0.106 0.000 1.117 360 S CA -1.521 56.752 58.200 0.123 0.000 1.002 360 S CB 3.253 66.509 63.200 0.093 0.000 1.092 360 S HN 0.199 nan 8.310 nan 0.000 0.542 361 P HA 0.417 nan 4.420 nan 0.000 0.278 361 P C -1.223 176.117 177.300 0.067 0.000 1.238 361 P CA -0.329 62.815 63.100 0.073 0.000 0.794 361 P CB 0.896 32.703 31.700 0.178 0.000 0.955 362 A N 3.081 125.927 122.820 0.043 0.000 2.318 362 A HA 0.511 4.827 4.320 -0.005 0.000 0.324 362 A C -1.103 176.575 177.584 0.156 0.000 1.170 362 A CA -0.679 51.444 52.037 0.143 0.000 0.810 362 A CB 0.513 19.663 19.000 0.250 0.000 1.198 362 A HN 0.616 nan 8.150 nan 0.000 0.484 363 Y N 2.846 123.183 120.300 0.062 0.000 2.403 363 Y HA 0.529 5.076 4.550 -0.005 0.000 0.323 363 Y C 0.922 176.838 175.900 0.026 0.000 1.226 363 Y CA -0.582 57.541 58.100 0.037 0.000 1.235 363 Y CB 0.784 39.267 38.460 0.039 0.000 1.248 363 Y HN 0.781 nan 8.280 nan 0.000 0.489 364 R N 2.651 122.646 120.500 -0.842 0.000 2.711 364 R HA -0.121 4.216 4.340 -0.005 0.000 0.253 364 R C -1.934 174.188 176.300 -0.296 0.000 0.879 364 R CA 0.646 56.348 56.100 -0.662 0.000 0.686 364 R CB -1.559 28.246 30.300 -0.825 0.000 1.618 364 R HN 0.442 nan 8.270 nan 0.000 0.525 365 V N 4.488 124.254 119.914 -0.245 0.000 2.569 365 V HA 0.329 4.446 4.120 -0.005 0.000 0.301 365 V C -1.858 174.093 176.094 -0.239 0.000 1.044 365 V CA -1.480 60.667 62.300 -0.254 0.000 0.874 365 V CB 2.571 34.203 31.823 -0.318 0.000 1.002 365 V HN 0.326 nan 8.190 nan 0.000 0.424 366 P HA 0.347 nan 4.420 nan 0.000 0.276 366 P C -0.837 176.364 177.300 -0.164 0.000 1.230 366 P CA 0.036 63.037 63.100 -0.165 0.000 0.776 366 P CB 1.667 33.285 31.700 -0.136 0.000 0.888 367 V N -0.431 119.412 119.914 -0.118 0.000 3.001 367 V HA 0.991 5.108 4.120 -0.005 0.000 0.314 367 V C -0.755 175.306 176.094 -0.055 0.000 1.099 367 V CA -1.446 60.797 62.300 -0.094 0.000 0.989 367 V CB 1.659 33.431 31.823 -0.086 0.000 1.040 367 V HN 0.750 nan 8.190 nan 0.000 0.434 368 A N 1.854 124.654 122.820 -0.034 0.000 2.488 368 A HA 0.767 5.084 4.320 -0.005 0.000 0.298 368 A C -0.740 176.852 177.584 0.013 0.000 1.044 368 A CA -0.658 51.370 52.037 -0.014 0.000 0.693 368 A CB 1.748 20.734 19.000 -0.023 0.000 1.272 368 A HN 1.390 nan 8.150 nan 0.000 0.402 369 V N 2.876 122.804 119.914 0.022 0.000 2.540 369 V HA 0.009 4.126 4.120 -0.005 0.000 0.297 369 V C 0.972 177.077 176.094 0.017 0.000 1.024 369 V CA 0.425 62.744 62.300 0.032 0.000 1.105 369 V CB 0.608 32.446 31.823 0.025 0.000 0.938 369 V HN 0.947 nan 8.190 nan 0.000 0.482 370 Q N 2.677 122.489 119.800 0.021 0.000 2.364 370 Q HA 0.388 4.725 4.340 -0.005 0.000 0.267 370 Q C 1.260 177.262 176.000 0.005 0.000 0.999 370 Q CA 0.875 56.684 55.803 0.010 0.000 0.886 370 Q CB 0.771 29.517 28.738 0.013 0.000 1.243 370 Q HN 1.130 nan 8.270 nan 0.000 0.415 371 G N 2.614 111.414 108.800 0.001 0.000 2.176 371 G HA2 -0.192 3.765 3.960 -0.005 0.000 0.253 371 G HA3 -0.192 3.765 3.960 -0.005 0.000 0.253 371 G C -0.300 174.599 174.900 -0.002 0.000 0.979 371 G CA 0.116 45.215 45.100 -0.001 0.000 0.641 371 G HN 0.611 nan 8.290 nan 0.000 0.530 372 E N 1.401 121.600 120.200 -0.002 0.000 3.132 372 E HA 0.313 4.660 4.350 -0.005 0.000 0.241 372 E C -0.613 175.982 176.600 -0.008 0.000 1.196 372 E CA -0.591 55.806 56.400 -0.004 0.000 0.869 372 E CB 0.949 30.647 29.700 -0.003 0.000 1.387 372 E HN 0.322 nan 8.360 nan 0.000 0.393 373 D N 0.412 120.806 120.400 -0.009 0.000 2.312 373 D HA 0.103 4.740 4.640 -0.005 0.000 0.244 373 D C 1.055 177.347 176.300 -0.014 0.000 1.328 373 D CA 1.017 55.009 54.000 -0.013 0.000 0.965 373 D CB 0.685 41.478 40.800 -0.012 0.000 1.140 373 D HN 0.306 nan 8.370 nan 0.000 0.523 374 T N -1.819 112.725 114.554 -0.017 0.000 13.302 374 T HA -0.260 4.087 4.350 -0.005 0.000 0.419 374 T C 0.591 175.279 174.700 -0.020 0.000 1.442 374 T CA 1.463 63.552 62.100 -0.017 0.000 2.360 374 T CB -1.512 67.348 68.868 -0.014 0.000 2.805 374 T HN 0.297 nan 8.240 nan 0.000 0.605 375 V N 4.960 124.864 119.914 -0.018 0.000 2.644 375 V HA 0.356 4.473 4.120 -0.005 0.000 0.305 375 V C 0.433 176.513 176.094 -0.023 0.000 1.053 375 V CA 1.319 63.608 62.300 -0.019 0.000 1.186 375 V CB 0.252 32.066 31.823 -0.015 0.000 0.895 375 V HN 0.829 nan 8.190 nan 0.000 0.490 376 Q N 3.718 123.501 119.800 -0.029 0.000 2.687 376 Q HA 0.731 5.068 4.340 -0.005 0.000 0.295 376 Q C -1.172 174.803 176.000 -0.042 0.000 0.920 376 Q CA -0.785 54.996 55.803 -0.037 0.000 0.766 376 Q CB 2.137 30.848 28.738 -0.045 0.000 1.467 376 Q HN 0.733 nan 8.270 nan 0.000 0.415 377 S N 0.572 116.241 115.700 -0.052 0.000 2.537 377 S HA 0.607 5.074 4.470 -0.005 0.000 0.270 377 S C -1.496 173.056 174.600 -0.080 0.000 1.142 377 S CA -0.775 57.391 58.200 -0.057 0.000 0.870 377 S CB 1.326 64.500 63.200 -0.043 0.000 1.112 377 S HN 0.622 nan 8.310 nan 0.000 0.466 378 L N 2.472 123.641 121.223 -0.091 0.000 2.334 378 L HA 0.501 4.838 4.340 -0.005 0.000 0.277 378 L C 0.913 177.709 176.870 -0.123 0.000 1.075 378 L CA -0.494 54.268 54.840 -0.130 0.000 0.804 378 L CB 1.642 43.608 42.059 -0.154 0.000 1.174 378 L HN 0.786 nan 8.230 nan 0.000 0.438 379 T N 2.709 117.174 114.554 -0.148 0.000 2.884 379 T HA 0.188 4.535 4.350 -0.005 0.000 0.298 379 T C 0.071 174.696 174.700 -0.126 0.000 0.998 379 T CA -0.418 61.620 62.100 -0.105 0.000 1.124 379 T CB 0.369 69.176 68.868 -0.101 0.000 0.931 379 T HN 0.503 nan 8.240 nan 0.000 0.531 380 Q N 2.532 122.321 119.800 -0.017 0.000 2.298 380 Q HA 0.372 4.709 4.340 -0.005 0.000 0.181 380 Q C 1.968 178.110 176.000 0.237 0.000 1.004 380 Q CA -0.558 55.282 55.803 0.062 0.000 1.050 380 Q CB 0.026 28.802 28.738 0.064 0.000 1.254 380 Q HN 0.826 nan 8.270 nan 0.000 0.531 381 G N 1.268 110.258 108.800 0.317 0.000 2.505 381 G HA2 -0.333 3.624 3.960 -0.005 0.000 0.220 381 G HA3 -0.333 3.624 3.960 -0.005 0.000 0.220 381 G C 0.840 175.858 174.900 0.197 0.000 1.145 381 G CA 1.771 47.037 45.100 0.277 0.000 0.761 381 G HN 0.768 nan 8.290 nan 0.000 0.571 382 D N -0.919 119.583 120.400 0.170 0.000 2.277 382 D HA 0.230 4.867 4.640 -0.005 0.000 0.208 382 D C 1.754 178.224 176.300 0.283 0.000 0.962 382 D CA 1.088 55.202 54.000 0.190 0.000 0.865 382 D CB -0.592 40.299 40.800 0.152 0.000 0.939 382 D HN 0.760 nan 8.370 nan 0.000 0.510 383 G N -0.925 108.012 108.800 0.228 0.000 2.143 383 G HA2 -0.130 3.827 3.960 -0.005 0.000 0.175 383 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.175 383 G C -0.281 174.746 174.900 0.211 0.000 1.004 383 G CA -0.029 45.160 45.100 0.150 0.000 0.671 383 G HN 0.366 nan 8.290 nan 0.000 0.512 384 V N 0.741 120.785 119.914 0.216 0.000 2.409 384 V HA 0.842 4.959 4.120 -0.005 0.000 0.291 384 V C 0.579 176.718 176.094 0.076 0.000 1.020 384 V CA -0.248 62.164 62.300 0.187 0.000 0.848 384 V CB 1.347 33.279 31.823 0.181 0.000 0.990 384 V HN 1.102 nan 8.190 nan 0.000 0.430 385 A N 4.468 127.312 122.820 0.041 0.000 2.306 385 A HA 0.776 5.093 4.320 -0.005 0.000 0.330 385 A C -0.243 177.350 177.584 0.015 0.000 1.146 385 A CA -0.735 51.303 52.037 0.003 0.000 0.827 385 A CB 1.218 20.198 19.000 -0.033 0.000 1.178 385 A HN 0.743 nan 8.150 nan 0.000 0.490 386 K N 2.734 123.132 120.400 -0.005 0.000 2.339 386 K HA 0.595 4.912 4.320 -0.005 0.000 0.264 386 K C -1.261 175.327 176.600 -0.020 0.000 0.986 386 K CA -0.303 55.977 56.287 -0.012 0.000 0.866 386 K CB 0.488 32.972 32.500 -0.026 0.000 1.103 386 K HN 0.706 nan 8.250 nan 0.000 0.441 387 L N 1.951 123.164 121.223 -0.017 0.000 2.376 387 L HA 0.550 4.887 4.340 -0.005 0.000 0.267 387 L C -0.215 176.627 176.870 -0.047 0.000 1.035 387 L CA -0.958 53.870 54.840 -0.019 0.000 0.800 387 L CB 1.834 43.898 42.059 0.009 0.000 1.290 387 L HN 0.827 nan 8.230 nan 0.000 0.462 388 S N 0.421 116.102 115.700 -0.032 0.000 2.560 388 S HA 0.717 5.184 4.470 -0.005 0.000 0.283 388 S C -1.115 173.481 174.600 -0.007 0.000 1.141 388 S CA -0.851 57.329 58.200 -0.033 0.000 0.902 388 S CB 1.197 64.382 63.200 -0.025 0.000 1.104 388 S HN 0.485 nan 8.310 nan 0.000 0.454 389 I N 0.911 121.490 120.570 0.014 0.000 2.802 389 I HA 0.488 4.655 4.170 -0.005 0.000 0.298 389 I C -1.191 174.908 176.117 -0.030 0.000 1.176 389 I CA -1.132 60.169 61.300 0.001 0.000 1.025 389 I CB 2.054 40.067 38.000 0.022 0.000 1.243 389 I HN 0.443 nan 8.210 nan 0.000 0.424 390 N N 3.108 121.757 118.700 -0.085 0.000 2.470 390 N HA 0.325 5.062 4.740 -0.005 0.000 0.268 390 N C -0.190 175.170 175.510 -0.250 0.000 1.136 390 N CA -0.169 52.790 53.050 -0.151 0.000 0.961 390 N CB 1.075 39.462 38.487 -0.167 0.000 1.067 390 N HN 0.757 nan 8.380 nan 0.000 0.468 391 T N -0.844 113.554 114.554 -0.260 0.000 2.944 391 T HA 0.335 4.682 4.350 -0.005 0.000 0.284 391 T C -0.117 174.374 174.700 -0.349 0.000 1.010 391 T CA -0.756 61.143 62.100 -0.336 0.000 1.025 391 T CB 0.926 69.568 68.868 -0.375 0.000 1.079 391 T HN 0.342 nan 8.240 nan 0.000 0.516 392 H N 1.550 120.537 119.070 -0.138 0.000 2.502 392 H HA 0.229 4.782 4.556 -0.005 0.000 0.327 392 H C -1.747 173.564 175.328 -0.028 0.000 1.099 392 H CA -1.888 54.118 56.048 -0.071 0.000 1.323 392 H CB 1.412 31.136 29.762 -0.064 0.000 1.450 392 H HN 0.485 nan 8.280 nan 0.000 0.502 393 P HA -0.168 nan 4.420 nan 0.000 0.228 393 P C 0.468 177.841 177.300 0.121 0.000 1.143 393 P CA 0.945 64.095 63.100 0.083 0.000 0.771 393 P CB 0.071 31.814 31.700 0.071 0.000 0.764 394 S N -1.124 114.654 115.700 0.131 0.000 2.632 394 S HA 0.162 4.629 4.470 -0.005 0.000 0.271 394 S C 0.753 175.467 174.600 0.190 0.000 1.260 394 S CA -0.628 57.647 58.200 0.126 0.000 1.010 394 S CB 0.808 64.055 63.200 0.080 0.000 0.965 394 S HN 0.009 nan 8.310 nan 0.000 0.534 395 Q N 0.374 120.276 119.800 0.170 0.000 2.225 395 Q HA 0.165 4.502 4.340 -0.005 0.000 0.222 395 Q C -0.335 175.794 176.000 0.216 0.000 0.887 395 Q CA 0.030 55.956 55.803 0.205 0.000 0.958 395 Q CB -0.043 28.770 28.738 0.125 0.000 1.058 395 Q HN 0.587 nan 8.270 nan 0.000 0.459 396 K N 2.367 122.888 120.400 0.202 0.000 2.349 396 K HA 0.170 4.487 4.320 -0.005 0.000 0.288 396 K C -2.404 174.300 176.600 0.172 0.000 1.058 396 K CA -1.828 54.535 56.287 0.126 0.000 0.953 396 K CB 0.620 33.146 32.500 0.044 0.000 0.997 396 K HN -0.115 nan 8.250 nan 0.000 0.477 397 P HA -0.140 nan 4.420 nan 0.000 0.261 397 P C -0.584 176.724 177.300 0.014 0.000 1.165 397 P CA 0.427 63.602 63.100 0.126 0.000 0.759 397 P CB 0.392 32.122 31.700 0.051 0.000 0.772 398 L N 2.196 123.389 121.223 -0.051 0.000 2.453 398 L HA 0.281 4.618 4.340 -0.005 0.000 0.261 398 L C 0.943 177.724 176.870 -0.147 0.000 1.179 398 L CA 0.399 55.109 54.840 -0.217 0.000 0.813 398 L CB 0.621 42.429 42.059 -0.418 0.000 1.110 398 L HN 0.322 nan 8.230 nan 0.000 0.466 399 S N 2.265 117.883 115.700 -0.138 0.000 2.386 399 S HA 0.484 4.951 4.470 -0.005 0.000 0.152 399 S C -0.566 173.982 174.600 -0.086 0.000 1.511 399 S CA -0.501 57.640 58.200 -0.098 0.000 1.246 399 S CB -0.055 63.106 63.200 -0.065 0.000 1.338 399 S HN 0.332 nan 8.310 nan 0.000 0.409 400 I N 2.293 122.797 120.570 -0.109 0.000 2.428 400 I HA 0.448 4.615 4.170 -0.005 0.000 0.296 400 I C 0.046 176.137 176.117 -0.044 0.000 0.985 400 I CA -0.279 60.978 61.300 -0.073 0.000 1.260 400 I CB 1.968 39.923 38.000 -0.075 0.000 1.389 400 I HN 0.254 nan 8.210 nan 0.000 0.484 401 T N 5.001 119.568 114.554 0.022 0.000 2.949 401 T HA 0.385 4.732 4.350 -0.005 0.000 0.300 401 T C -0.538 174.225 174.700 0.106 0.000 0.988 401 T CA -0.412 61.733 62.100 0.076 0.000 0.993 401 T CB 1.574 70.467 68.868 0.042 0.000 0.984 401 T HN 0.157 nan 8.240 nan 0.000 0.442 402 V N 4.695 124.722 119.914 0.188 0.000 2.398 402 V HA 0.535 4.651 4.120 -0.005 0.000 0.286 402 V C 0.153 176.278 176.094 0.052 0.000 1.026 402 V CA -0.732 61.651 62.300 0.140 0.000 0.868 402 V CB 1.552 33.518 31.823 0.238 0.000 0.982 402 V HN 0.697 nan 8.190 nan 0.000 0.443 403 R N 1.989 122.494 120.500 0.007 0.000 2.787 403 R HA 0.615 4.951 4.340 -0.005 0.000 0.271 403 R C -0.241 176.013 176.300 -0.076 0.000 0.993 403 R CA -0.722 55.360 56.100 -0.031 0.000 0.993 403 R CB 1.715 32.001 30.300 -0.023 0.000 1.155 403 R HN 0.754 nan 8.270 nan 0.000 0.486 404 T N 0.480 114.968 114.554 -0.111 0.000 2.907 404 T HA 0.202 4.549 4.350 -0.005 0.000 0.298 404 T C 0.492 175.111 174.700 -0.134 0.000 1.017 404 T CA -0.627 61.364 62.100 -0.182 0.000 1.118 404 T CB 0.991 69.697 68.868 -0.271 0.000 0.948 404 T HN 0.300 nan 8.240 nan 0.000 0.531 405 K N 1.095 121.406 120.400 -0.148 0.000 2.792 405 K HA 0.172 4.489 4.320 -0.005 0.000 0.207 405 K C 0.069 176.608 176.600 -0.103 0.000 1.103 405 K CA -0.576 55.651 56.287 -0.100 0.000 1.048 405 K CB 0.624 33.077 32.500 -0.078 0.000 0.777 405 K HN 0.411 nan 8.250 nan 0.000 0.468 406 K N 1.911 122.232 120.400 -0.131 0.000 2.511 406 K HA 0.006 4.323 4.320 -0.005 0.000 0.280 406 K C 0.444 177.017 176.600 -0.046 0.000 1.008 406 K CA 0.532 56.762 56.287 -0.095 0.000 1.050 406 K CB 0.524 32.972 32.500 -0.086 0.000 0.889 406 K HN 0.284 nan 8.250 nan 0.000 0.484 407 Q N 1.632 121.412 119.800 -0.033 0.000 2.368 407 Q HA 0.016 4.353 4.340 -0.005 0.000 0.237 407 Q C 0.208 176.207 176.000 -0.002 0.000 0.987 407 Q CA 0.290 56.084 55.803 -0.016 0.000 0.896 407 Q CB 0.652 29.381 28.738 -0.015 0.000 1.241 407 Q HN 0.594 nan 8.270 nan 0.000 0.485 408 E N -1.184 119.018 120.200 0.003 0.000 4.380 408 E HA -0.208 4.139 4.350 -0.005 0.000 0.319 408 E C -0.956 175.651 176.600 0.012 0.000 0.642 408 E CA 0.400 56.806 56.400 0.010 0.000 1.849 408 E CB -0.647 29.067 29.700 0.024 0.000 1.830 408 E HN 0.198 nan 8.360 nan 0.000 0.473 409 L N 2.291 123.525 121.223 0.019 0.000 2.319 409 L HA 0.329 4.666 4.340 -0.005 0.000 0.281 409 L C 0.292 177.176 176.870 0.024 0.000 1.005 409 L CA -0.320 54.536 54.840 0.027 0.000 0.828 409 L CB 1.472 43.568 42.059 0.063 0.000 1.227 409 L HN 0.169 nan 8.230 nan 0.000 0.415 410 S N 1.805 117.521 115.700 0.027 0.000 2.558 410 S HA 0.053 4.520 4.470 -0.005 0.000 0.287 410 S C 1.137 175.763 174.600 0.045 0.000 1.321 410 S CA -0.526 57.696 58.200 0.036 0.000 1.048 410 S CB 0.777 64.008 63.200 0.052 0.000 0.844 410 S HN 0.570 nan 8.310 nan 0.000 0.512 411 E N 2.129 122.349 120.200 0.034 0.000 2.114 411 E HA -0.236 4.111 4.350 -0.005 0.000 0.199 411 E C 2.300 178.925 176.600 0.042 0.000 1.008 411 E CA 1.814 58.231 56.400 0.028 0.000 0.810 411 E CB -0.922 28.790 29.700 0.020 0.000 0.739 411 E HN 0.904 nan 8.360 nan 0.000 0.456 412 A N 0.883 123.740 122.820 0.063 0.000 2.125 412 A HA -0.175 4.142 4.320 -0.005 0.000 0.219 412 A C 1.866 179.509 177.584 0.098 0.000 1.156 412 A CA 1.206 53.291 52.037 0.080 0.000 0.671 412 A CB -0.319 18.748 19.000 0.111 0.000 0.794 412 A HN 0.224 nan 8.150 nan 0.000 0.459 413 E N -0.228 120.041 120.200 0.116 0.000 2.299 413 E HA -0.032 4.314 4.350 -0.005 0.000 0.193 413 E C 0.136 176.790 176.600 0.091 0.000 0.998 413 E CA -0.041 56.443 56.400 0.141 0.000 0.851 413 E CB 0.054 29.831 29.700 0.129 0.000 0.795 413 E HN 0.569 nan 8.360 nan 0.000 0.492 414 Q N 0.625 120.460 119.800 0.058 0.000 2.364 414 Q HA 0.251 4.588 4.340 -0.005 0.000 0.267 414 Q C -0.235 175.777 176.000 0.019 0.000 0.999 414 Q CA 0.016 55.839 55.803 0.033 0.000 0.886 414 Q CB 1.165 29.899 28.738 -0.007 0.000 1.243 414 Q HN 0.085 nan 8.270 nan 0.000 0.415 415 A N 2.077 124.907 122.820 0.016 0.000 2.302 415 A HA 0.599 4.916 4.320 -0.005 0.000 0.285 415 A C 0.235 177.792 177.584 -0.045 0.000 1.105 415 A CA -0.059 51.967 52.037 -0.018 0.000 0.816 415 A CB 1.067 20.059 19.000 -0.013 0.000 1.067 415 A HN 0.683 nan 8.150 nan 0.000 0.489 416 T N -0.255 114.272 114.554 -0.045 0.000 2.816 416 T HA 0.731 5.078 4.350 -0.005 0.000 0.299 416 T C -0.933 173.753 174.700 -0.024 0.000 1.230 416 T CA -0.594 61.487 62.100 -0.031 0.000 1.007 416 T CB 1.395 70.263 68.868 -0.001 0.000 1.289 416 T HN 1.134 nan 8.240 nan 0.000 0.508 417 R N 0.196 120.716 120.500 0.034 0.000 2.741 417 R HA 0.728 5.065 4.340 -0.005 0.000 0.276 417 R C -1.746 174.712 176.300 0.263 0.000 1.028 417 R CA -0.176 55.986 56.100 0.104 0.000 0.865 417 R CB 1.589 31.889 30.300 -0.000 0.000 1.268 417 R HN 0.900 nan 8.270 nan 0.000 0.475 418 T N 1.077 115.822 114.554 0.318 0.000 2.840 418 T HA 0.726 5.073 4.350 -0.005 0.000 0.317 418 T C -1.395 173.342 174.700 0.062 0.000 1.401 418 T CA -0.418 61.794 62.100 0.186 0.000 1.028 418 T CB 0.743 69.655 68.868 0.073 0.000 1.317 418 T HN 0.669 nan 8.240 nan 0.000 0.495 419 M N 1.505 120.993 119.600 -0.185 0.000 3.079 419 M HA 0.695 5.172 4.480 -0.005 0.000 0.277 419 M C -1.636 174.549 176.300 -0.192 0.000 1.317 419 M CA -1.034 54.124 55.300 -0.237 0.000 0.793 419 M CB 2.175 34.448 32.600 -0.545 0.000 1.690 419 M HN 0.535 nan 8.290 nan 0.000 0.451 420 Q N 0.623 120.324 119.800 -0.165 0.000 2.285 420 Q HA 0.802 5.138 4.340 -0.005 0.000 0.269 420 Q C -2.050 173.850 176.000 -0.168 0.000 1.030 420 Q CA -0.580 55.139 55.803 -0.139 0.000 0.788 420 Q CB 2.707 31.392 28.738 -0.088 0.000 1.266 420 Q HN 0.913 nan 8.270 nan 0.000 0.438 421 A N 3.624 126.340 122.820 -0.174 0.000 2.356 421 A HA 0.875 5.192 4.320 -0.005 0.000 0.323 421 A C -1.394 176.207 177.584 0.030 0.000 1.119 421 A CA -0.558 51.370 52.037 -0.182 0.000 0.790 421 A CB 1.023 19.790 19.000 -0.388 0.000 1.273 421 A HN 0.689 nan 8.150 nan 0.000 0.452 422 L N 1.395 122.575 121.223 -0.073 0.000 2.323 422 L HA 0.577 4.914 4.340 -0.005 0.000 0.265 422 L C -2.350 174.277 176.870 -0.404 0.000 1.012 422 L CA -2.183 52.630 54.840 -0.043 0.000 0.820 422 L CB 2.566 44.659 42.059 0.057 0.000 1.334 422 L HN 0.464 nan 8.230 nan 0.000 0.427 423 P HA -0.003 nan 4.420 nan 0.000 0.281 423 P C -1.116 176.097 177.300 -0.145 0.000 1.252 423 P CA -0.178 62.520 63.100 -0.671 0.000 0.778 423 P CB 0.387 31.891 31.700 -0.327 0.000 0.895 424 Y N 3.549 123.736 120.300 -0.188 0.000 2.770 424 Y HA -0.015 4.532 4.550 -0.005 0.000 0.342 424 Y C 0.891 176.771 175.900 -0.033 0.000 1.221 424 Y CA 0.052 58.113 58.100 -0.065 0.000 1.560 424 Y CB 0.233 38.735 38.460 0.070 0.000 1.213 424 Y HN 0.371 nan 8.280 nan 0.000 0.525 425 S N 5.568 121.192 115.700 -0.127 0.000 2.437 425 S HA 0.129 4.596 4.470 -0.005 0.000 0.304 425 S C 0.116 174.681 174.600 -0.057 0.000 1.167 425 S CA -0.521 57.640 58.200 -0.066 0.000 1.106 425 S CB -0.410 62.727 63.200 -0.106 0.000 1.099 425 S HN 0.761 nan 8.310 nan 0.000 0.524 426 T N 1.900 116.479 114.554 0.041 0.000 2.855 426 T HA 0.173 4.520 4.350 -0.005 0.000 0.322 426 T C 0.450 175.123 174.700 -0.045 0.000 1.088 426 T CA -0.805 61.284 62.100 -0.018 0.000 1.104 426 T CB 0.258 69.058 68.868 -0.114 0.000 0.996 426 T HN 0.530 nan 8.240 nan 0.000 0.549 427 V N 2.453 122.323 119.914 -0.074 0.000 2.341 427 V HA 0.436 4.553 4.120 -0.005 0.000 0.248 427 V C 1.415 177.468 176.094 -0.069 0.000 1.107 427 V CA 0.500 62.744 62.300 -0.093 0.000 1.069 427 V CB -0.746 30.979 31.823 -0.164 0.000 1.177 427 V HN 1.373 nan 8.190 nan 0.000 0.492 428 G N 5.069 113.842 108.800 -0.045 0.000 2.324 428 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.292 428 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.292 428 G C 0.159 175.050 174.900 -0.015 0.000 1.079 428 G CA -0.028 45.055 45.100 -0.029 0.000 1.026 428 G HN 0.883 nan 8.290 nan 0.000 0.506 429 N N -1.069 117.628 118.700 -0.004 0.000 2.684 429 N HA -0.191 4.545 4.740 -0.005 0.000 0.284 429 N C 1.371 176.891 175.510 0.017 0.000 1.067 429 N CA 1.554 54.614 53.050 0.016 0.000 0.791 429 N CB -0.697 37.808 38.487 0.030 0.000 0.934 429 N HN 1.149 nan 8.380 nan 0.000 0.566 430 S N -1.232 114.468 115.700 -0.001 0.000 2.512 430 S HA 0.133 4.600 4.470 -0.005 0.000 0.216 430 S C 0.434 175.051 174.600 0.030 0.000 1.006 430 S CA -0.330 57.874 58.200 0.006 0.000 0.915 430 S CB 0.465 63.650 63.200 -0.026 0.000 0.824 430 S HN 0.427 nan 8.310 nan 0.000 0.497 431 N N 2.734 121.450 118.700 0.026 0.000 2.696 431 N HA -0.112 4.625 4.740 -0.005 0.000 0.256 431 N C -1.703 173.866 175.510 0.099 0.000 1.031 431 N CA 0.650 53.779 53.050 0.132 0.000 0.730 431 N CB -1.653 36.959 38.487 0.209 0.000 0.894 431 N HN 0.511 nan 8.380 nan 0.000 0.544 432 N N 0.672 119.284 118.700 -0.146 0.000 2.354 432 N HA 0.528 5.265 4.740 -0.005 0.000 0.287 432 N C -0.543 174.792 175.510 -0.291 0.000 1.016 432 N CA -0.171 52.856 53.050 -0.038 0.000 0.871 432 N CB 0.892 39.401 38.487 0.037 0.000 1.299 432 N HN 0.169 nan 8.380 nan 0.000 0.482 433 Y N 0.296 120.652 120.300 0.093 0.000 2.698 433 Y HA 0.699 5.246 4.550 -0.004 0.000 0.332 433 Y C -0.665 175.346 175.900 0.184 0.000 1.119 433 Y CA -1.280 56.811 58.100 -0.014 0.000 1.109 433 Y CB 1.705 40.112 38.460 -0.087 0.000 1.308 433 Y HN 0.312 nan 8.280 nan 0.000 0.499 434 L N 1.073 122.476 121.223 0.299 0.000 2.526 434 L HA 0.592 4.929 4.340 -0.005 0.000 0.263 434 L C -2.124 174.899 176.870 0.254 0.000 0.943 434 L CA -0.279 54.781 54.840 0.366 0.000 0.859 434 L CB 1.932 44.287 42.059 0.493 0.000 1.313 434 L HN 0.741 nan 8.230 nan 0.000 0.406 435 H N 4.245 123.351 119.070 0.060 0.000 2.840 435 H HA 0.689 5.242 4.556 -0.005 0.000 0.340 435 H C -1.879 173.371 175.328 -0.129 0.000 1.004 435 H CA -0.467 55.570 56.048 -0.018 0.000 1.288 435 H CB 1.427 31.189 29.762 0.001 0.000 1.607 435 H HN 0.717 nan 8.280 nan 0.000 0.522 436 L N 4.610 125.497 121.223 -0.560 0.000 2.287 436 L HA 0.515 4.852 4.340 -0.005 0.000 0.287 436 L C -0.216 176.253 176.870 -0.668 0.000 1.022 436 L CA -0.636 53.823 54.840 -0.634 0.000 0.814 436 L CB 1.446 43.196 42.059 -0.515 0.000 1.217 436 L HN 0.701 nan 8.230 nan 0.000 0.420 437 S N 2.357 117.731 115.700 -0.543 0.000 2.542 437 S HA 0.862 5.329 4.470 -0.005 0.000 0.293 437 S C -0.777 173.669 174.600 -0.257 0.000 1.089 437 S CA -0.813 57.160 58.200 -0.379 0.000 0.961 437 S CB 2.530 65.550 63.200 -0.299 0.000 1.062 437 S HN 0.222 nan 8.310 nan 0.000 0.483 438 V N 2.503 122.303 119.914 -0.190 0.000 2.733 438 V HA 0.415 4.532 4.120 -0.005 0.000 0.306 438 V C -0.632 175.399 176.094 -0.105 0.000 1.084 438 V CA -0.750 61.465 62.300 -0.142 0.000 0.905 438 V CB 1.810 33.545 31.823 -0.146 0.000 1.010 438 V HN 0.933 nan 8.190 nan 0.000 0.424 439 L N 3.525 124.699 121.223 -0.080 0.000 2.476 439 L HA 0.391 4.728 4.340 -0.005 0.000 0.264 439 L C 0.647 177.483 176.870 -0.057 0.000 1.224 439 L CA 0.258 55.061 54.840 -0.061 0.000 0.821 439 L CB 0.150 42.179 42.059 -0.049 0.000 1.101 439 L HN 0.619 nan 8.230 nan 0.000 0.488 440 R N 1.035 121.509 120.500 -0.045 0.000 2.666 440 R HA 0.400 4.737 4.340 -0.005 0.000 0.275 440 R C -1.281 175.004 176.300 -0.026 0.000 1.266 440 R CA -0.218 55.860 56.100 -0.038 0.000 1.401 440 R CB -0.120 30.162 30.300 -0.029 0.000 1.145 440 R HN 0.722 nan 8.270 nan 0.000 0.581 441 T N -0.336 114.200 114.554 -0.030 0.000 2.971 441 T HA 0.296 4.643 4.350 -0.005 0.000 0.304 441 T C -0.527 174.157 174.700 -0.025 0.000 1.038 441 T CA -0.935 61.154 62.100 -0.020 0.000 1.007 441 T CB 1.258 70.112 68.868 -0.022 0.000 1.055 441 T HN 0.341 nan 8.240 nan 0.000 0.451 442 E N 2.255 122.450 120.200 -0.008 0.000 3.306 442 E HA -0.092 4.255 4.350 -0.005 0.000 0.230 442 E C -0.327 176.251 176.600 -0.037 0.000 0.992 442 E CA 0.363 56.754 56.400 -0.015 0.000 0.938 442 E CB 0.020 29.722 29.700 0.004 0.000 0.904 442 E HN 0.569 nan 8.360 nan 0.000 0.568 443 L N 4.923 126.114 121.223 -0.055 0.000 2.281 443 L HA 0.192 4.529 4.340 -0.005 0.000 0.285 443 L C 0.525 177.344 176.870 -0.084 0.000 1.074 443 L CA -0.243 54.553 54.840 -0.074 0.000 0.817 443 L CB 0.412 42.425 42.059 -0.077 0.000 1.168 443 L HN 0.289 nan 8.230 nan 0.000 0.434 444 R N 5.669 126.119 120.500 -0.084 0.000 2.668 444 R HA 0.510 4.847 4.340 -0.005 0.000 0.279 444 R C -2.404 173.833 176.300 -0.105 0.000 0.976 444 R CA -1.883 54.167 56.100 -0.083 0.000 0.978 444 R CB 1.062 31.326 30.300 -0.059 0.000 1.133 444 R HN 0.447 nan 8.270 nan 0.000 0.484 445 P HA -0.035 nan 4.420 nan 0.000 0.270 445 P C 0.558 177.812 177.300 -0.077 0.000 1.223 445 P CA 0.501 63.544 63.100 -0.096 0.000 0.785 445 P CB 0.716 32.385 31.700 -0.051 0.000 0.923 446 G N 0.492 109.245 108.800 -0.078 0.000 2.336 446 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.233 446 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.233 446 G C 0.228 175.086 174.900 -0.070 0.000 1.053 446 G CA 0.128 45.193 45.100 -0.059 0.000 0.625 446 G HN 0.589 nan 8.290 nan 0.000 0.511 447 E N 0.217 120.365 120.200 -0.087 0.000 2.405 447 E HA 0.572 4.919 4.350 -0.005 0.000 0.253 447 E C -0.021 176.510 176.600 -0.115 0.000 1.257 447 E CA 0.406 56.754 56.400 -0.087 0.000 0.960 447 E CB 0.799 30.449 29.700 -0.084 0.000 1.077 447 E HN 0.113 nan 8.360 nan 0.000 0.512 448 T N 0.327 114.822 114.554 -0.099 0.000 2.906 448 T HA 0.545 4.892 4.350 -0.005 0.000 0.295 448 T C -1.817 172.824 174.700 -0.097 0.000 1.061 448 T CA -0.664 61.373 62.100 -0.106 0.000 1.000 448 T CB 0.890 69.716 68.868 -0.070 0.000 1.103 448 T HN 0.201 nan 8.240 nan 0.000 0.486 449 L N 3.755 124.918 121.223 -0.101 0.000 2.431 449 L HA 0.627 4.964 4.340 -0.005 0.000 0.266 449 L C -1.158 175.684 176.870 -0.045 0.000 0.978 449 L CA -0.540 54.254 54.840 -0.077 0.000 0.822 449 L CB 2.085 44.089 42.059 -0.091 0.000 1.310 449 L HN 0.522 nan 8.230 nan 0.000 0.409 450 N N 3.773 122.449 118.700 -0.040 0.000 2.426 450 N HA 0.420 5.157 4.740 -0.005 0.000 0.275 450 N C -1.180 174.301 175.510 -0.049 0.000 1.019 450 N CA -0.265 52.766 53.050 -0.033 0.000 0.941 450 N CB 2.202 40.669 38.487 -0.033 0.000 1.123 450 N HN 0.391 nan 8.380 nan 0.000 0.486 451 V N 2.942 122.829 119.914 -0.045 0.000 2.311 451 V HA 0.245 4.362 4.120 -0.005 0.000 0.275 451 V C 0.429 176.434 176.094 -0.148 0.000 1.022 451 V CA -0.968 61.253 62.300 -0.131 0.000 0.830 451 V CB 0.610 32.350 31.823 -0.139 0.000 1.012 451 V HN 0.510 nan 8.190 nan 0.000 0.452 452 N N 4.184 122.760 118.700 -0.206 0.000 2.497 452 N HA 0.346 5.083 4.740 -0.005 0.000 0.271 452 N C -1.135 174.182 175.510 -0.321 0.000 1.142 452 N CA -0.149 52.806 53.050 -0.158 0.000 0.965 452 N CB 1.009 39.415 38.487 -0.136 0.000 1.077 452 N HN 0.491 nan 8.380 nan 0.000 0.462 453 F N 2.745 122.547 119.950 -0.247 0.000 2.293 453 F HA 0.243 4.767 4.527 -0.005 0.000 0.370 453 F C -0.068 175.561 175.800 -0.286 0.000 1.090 453 F CA -0.770 56.989 58.000 -0.401 0.000 1.133 453 F CB 0.643 39.210 39.000 -0.722 0.000 1.360 453 F HN 0.257 nan 8.300 nan 0.000 0.489 454 L N 5.167 126.355 121.223 -0.058 0.000 2.295 454 L HA 0.573 4.910 4.340 -0.005 0.000 0.285 454 L C -1.327 175.633 176.870 0.151 0.000 1.035 454 L CA -0.966 53.911 54.840 0.061 0.000 0.806 454 L CB 1.270 43.382 42.059 0.088 0.000 1.214 454 L HN 0.442 nan 8.230 nan 0.000 0.426 455 L N 5.624 126.952 121.223 0.175 0.000 2.319 455 L HA 0.632 4.969 4.340 -0.005 0.000 0.281 455 L C -0.841 176.116 176.870 0.145 0.000 1.005 455 L CA -0.414 54.547 54.840 0.202 0.000 0.828 455 L CB 1.042 43.212 42.059 0.184 0.000 1.227 455 L HN 0.741 nan 8.230 nan 0.000 0.415 456 R N 6.789 127.398 120.500 0.181 0.000 2.388 456 R HA 0.879 5.216 4.340 -0.005 0.000 0.314 456 R C -1.434 174.995 176.300 0.214 0.000 0.959 456 R CA -0.484 55.710 56.100 0.157 0.000 0.851 456 R CB 0.793 31.159 30.300 0.110 0.000 1.168 456 R HN 0.789 nan 8.270 nan 0.000 0.472 457 M N 0.263 119.951 119.600 0.147 0.000 2.895 457 M HA 0.436 4.913 4.480 -0.005 0.000 0.271 457 M C -1.562 174.796 176.300 0.096 0.000 1.174 457 M CA -1.167 54.220 55.300 0.144 0.000 0.816 457 M CB 1.546 34.223 32.600 0.129 0.000 1.647 457 M HN 0.400 nan 8.290 nan 0.000 0.506 458 D N 0.844 121.302 120.400 0.097 0.000 2.455 458 D HA 0.181 4.818 4.640 -0.005 0.000 0.241 458 D C 0.765 177.088 176.300 0.039 0.000 1.138 458 D CA -0.334 53.705 54.000 0.066 0.000 0.877 458 D CB 0.656 41.501 40.800 0.075 0.000 1.187 458 D HN 0.798 nan 8.370 nan 0.000 0.451 459 R N 1.483 121.986 120.500 0.005 0.000 2.307 459 R HA 0.134 4.471 4.340 -0.005 0.000 0.199 459 R C 1.550 177.807 176.300 -0.072 0.000 1.000 459 R CA 0.539 56.626 56.100 -0.021 0.000 1.023 459 R CB -0.289 29.999 30.300 -0.019 0.000 0.908 459 R HN 0.388 nan 8.270 nan 0.000 0.473 460 A N 0.996 123.737 122.820 -0.132 0.000 2.070 460 A HA -0.121 4.196 4.320 -0.005 0.000 0.220 460 A C 1.041 178.329 177.584 -0.494 0.000 1.159 460 A CA 1.119 52.962 52.037 -0.323 0.000 0.656 460 A CB -0.416 18.332 19.000 -0.421 0.000 0.800 460 A HN 0.505 nan 8.150 nan 0.000 0.453 461 H N -1.809 117.255 119.070 -0.011 0.000 3.233 461 H HA 0.079 4.632 4.556 -0.005 0.000 0.263 461 H C 1.443 176.747 175.328 -0.040 0.000 1.168 461 H CA 0.783 56.819 56.048 -0.020 0.000 1.159 461 H CB 0.192 29.948 29.762 -0.010 0.000 1.593 461 H HN 0.821 nan 8.280 nan 0.000 0.580 462 E N 1.213 121.431 120.200 0.030 0.000 2.347 462 E HA -0.001 4.346 4.350 -0.005 0.000 0.196 462 E C 1.981 178.538 176.600 -0.072 0.000 1.008 462 E CA 0.998 57.377 56.400 -0.036 0.000 0.852 462 E CB -0.006 29.673 29.700 -0.036 0.000 0.783 462 E HN 0.193 nan 8.360 nan 0.000 0.505 463 A N 1.049 123.841 122.820 -0.046 0.000 2.067 463 A HA -0.060 4.257 4.320 -0.005 0.000 0.219 463 A C 1.859 179.405 177.584 -0.064 0.000 1.158 463 A CA 0.988 52.994 52.037 -0.052 0.000 0.661 463 A CB -0.335 18.645 19.000 -0.034 0.000 0.801 463 A HN 0.145 nan 8.150 nan 0.000 0.452 464 K N 0.567 120.934 120.400 -0.055 0.000 2.862 464 K HA 0.219 4.536 4.320 -0.005 0.000 0.229 464 K C -0.735 175.776 176.600 -0.148 0.000 1.107 464 K CA -0.112 56.135 56.287 -0.066 0.000 1.222 464 K CB -0.011 32.480 32.500 -0.015 0.000 1.067 464 K HN 0.234 nan 8.250 nan 0.000 0.464 465 I N 2.213 122.651 120.570 -0.221 0.000 2.697 465 I HA 0.170 4.337 4.170 -0.005 0.000 0.279 465 I C 0.357 176.231 176.117 -0.405 0.000 1.171 465 I CA -0.342 60.725 61.300 -0.388 0.000 1.135 465 I CB 0.839 38.537 38.000 -0.504 0.000 1.445 465 I HN 0.059 nan 8.210 nan 0.000 0.541 466 R N 3.171 123.433 120.500 -0.398 0.000 2.275 466 R HA 0.100 4.437 4.340 -0.005 0.000 0.199 466 R C -0.331 175.903 176.300 -0.111 0.000 0.989 466 R CA 0.459 56.439 56.100 -0.200 0.000 1.016 466 R CB -0.604 29.678 30.300 -0.030 0.000 0.918 466 R HN 0.599 nan 8.270 nan 0.000 0.473 467 Y N -3.559 116.627 120.300 -0.190 0.000 2.573 467 Y HA 0.442 4.988 4.550 -0.005 0.000 0.328 467 Y C -1.558 174.190 175.900 -0.252 0.000 1.170 467 Y CA -2.385 55.612 58.100 -0.171 0.000 1.078 467 Y CB 0.065 38.505 38.460 -0.032 0.000 1.341 467 Y HN -0.120 nan 8.280 nan 0.000 0.459 468 Y N 1.476 121.863 120.300 0.145 0.000 2.353 468 Y HA 0.578 5.125 4.550 -0.005 0.000 0.340 468 Y C 0.318 176.320 175.900 0.170 0.000 0.972 468 Y CA -0.967 57.227 58.100 0.156 0.000 1.157 468 Y CB 1.716 40.179 38.460 0.006 0.000 1.157 468 Y HN 0.660 nan 8.280 nan 0.000 0.495 469 T N 4.301 119.012 114.554 0.263 0.000 2.897 469 T HA 0.322 4.669 4.350 -0.005 0.000 0.294 469 T C -0.764 174.130 174.700 0.322 0.000 1.004 469 T CA -0.343 61.847 62.100 0.150 0.000 1.106 469 T CB 0.131 68.923 68.868 -0.127 0.000 0.949 469 T HN 0.626 nan 8.240 nan 0.000 0.520 470 Y N 0.525 120.950 120.300 0.207 0.000 2.588 470 Y HA 0.766 5.313 4.550 -0.005 0.000 0.343 470 Y C -2.113 173.967 175.900 0.299 0.000 1.065 470 Y CA -1.790 56.499 58.100 0.315 0.000 1.038 470 Y CB 1.074 39.760 38.460 0.377 0.000 1.297 470 Y HN 0.374 nan 8.280 nan 0.000 0.467 471 L N 3.142 124.531 121.223 0.277 0.000 2.434 471 L HA 0.613 4.950 4.340 -0.005 0.000 0.260 471 L C -1.071 175.946 176.870 0.246 0.000 0.983 471 L CA -0.871 54.059 54.840 0.149 0.000 0.820 471 L CB 2.311 44.513 42.059 0.239 0.000 1.361 471 L HN 0.694 nan 8.230 nan 0.000 0.410 472 I N 2.686 123.370 120.570 0.190 0.000 2.406 472 I HA 0.495 4.662 4.170 -0.005 0.000 0.290 472 I C -0.723 175.510 176.117 0.194 0.000 0.999 472 I CA -0.475 60.989 61.300 0.272 0.000 1.124 472 I CB 1.673 39.840 38.000 0.279 0.000 1.289 472 I HN 0.416 nan 8.210 nan 0.000 0.441 473 M N 6.452 126.198 119.600 0.244 0.000 2.205 473 M HA 0.371 4.848 4.480 -0.005 0.000 0.344 473 M C -0.712 175.727 176.300 0.232 0.000 1.085 473 M CA -0.295 55.126 55.300 0.202 0.000 1.001 473 M CB 1.228 33.952 32.600 0.206 0.000 1.626 473 M HN 0.538 nan 8.290 nan 0.000 0.442 474 N N 3.134 121.927 118.700 0.156 0.000 2.425 474 N HA 0.268 5.005 4.740 -0.005 0.000 0.289 474 N C -0.473 175.144 175.510 0.179 0.000 1.074 474 N CA -0.095 53.057 53.050 0.169 0.000 0.905 474 N CB 1.874 40.381 38.487 0.034 0.000 1.586 474 N HN 0.704 nan 8.380 nan 0.000 0.490 475 K N 1.842 122.391 120.400 0.248 0.000 3.547 475 K HA -0.212 4.105 4.320 -0.005 0.000 0.309 475 K C 0.737 177.501 176.600 0.273 0.000 1.324 475 K CA 1.324 57.789 56.287 0.297 0.000 0.988 475 K CB -1.514 31.167 32.500 0.302 0.000 1.261 475 K HN 0.967 nan 8.250 nan 0.000 0.444 476 G N 0.410 109.334 108.800 0.206 0.000 2.255 476 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.196 476 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.196 476 G C -0.096 174.870 174.900 0.111 0.000 0.998 476 G CA 0.117 45.307 45.100 0.150 0.000 0.656 476 G HN 0.426 nan 8.290 nan 0.000 0.490 477 R N -0.128 120.447 120.500 0.126 0.000 2.902 477 R HA 0.848 5.185 4.340 -0.005 0.000 0.258 477 R C -0.154 176.187 176.300 0.069 0.000 1.071 477 R CA -1.100 55.052 56.100 0.087 0.000 1.024 477 R CB 0.774 31.134 30.300 0.099 0.000 1.184 477 R HN 0.077 nan 8.270 nan 0.000 0.492 478 L N 2.465 123.712 121.223 0.041 0.000 2.433 478 L HA 0.079 4.416 4.340 -0.005 0.000 0.275 478 L C 0.726 177.589 176.870 -0.011 0.000 1.128 478 L CA -0.308 54.552 54.840 0.033 0.000 0.875 478 L CB 0.866 42.942 42.059 0.028 0.000 1.171 478 L HN 0.650 nan 8.230 nan 0.000 0.463 479 L N 4.230 125.432 121.223 -0.034 0.000 2.034 479 L HA 0.108 4.445 4.340 -0.005 0.000 0.203 479 L C 0.631 177.444 176.870 -0.094 0.000 1.074 479 L CA 1.613 56.382 54.840 -0.117 0.000 0.748 479 L CB -0.140 41.749 42.059 -0.283 0.000 0.905 479 L HN 0.644 nan 8.230 nan 0.000 0.439 480 K N -1.272 119.093 120.400 -0.059 0.000 2.568 480 K HA 0.657 4.973 4.320 -0.005 0.000 0.273 480 K C -2.021 174.526 176.600 -0.088 0.000 0.951 480 K CA -0.288 55.969 56.287 -0.051 0.000 0.854 480 K CB 1.836 34.329 32.500 -0.012 0.000 1.424 480 K HN 0.060 nan 8.250 nan 0.000 0.427 481 A N 1.444 124.169 122.820 -0.158 0.000 2.488 481 A HA 0.817 5.134 4.320 -0.005 0.000 0.298 481 A C -0.822 176.557 177.584 -0.342 0.000 1.044 481 A CA -0.099 51.753 52.037 -0.309 0.000 0.693 481 A CB 1.772 20.709 19.000 -0.105 0.000 1.272 481 A HN 0.910 nan 8.150 nan 0.000 0.402 482 G N 0.925 109.342 108.800 -0.639 0.000 2.976 482 G HA2 0.693 4.650 3.960 -0.005 0.000 0.276 482 G HA3 0.693 4.650 3.960 -0.005 0.000 0.276 482 G C -1.525 173.406 174.900 0.052 0.000 1.207 482 G CA -0.654 44.324 45.100 -0.203 0.000 0.803 482 G HN 0.606 nan 8.290 nan 0.000 0.572 483 R N 0.314 120.963 120.500 0.248 0.000 2.532 483 R HA 0.497 4.834 4.340 -0.005 0.000 0.297 483 R C -1.294 175.133 176.300 0.212 0.000 0.984 483 R CA -0.825 55.412 56.100 0.229 0.000 0.884 483 R CB 1.759 32.071 30.300 0.020 0.000 1.182 483 R HN 0.570 nan 8.270 nan 0.000 0.442 484 Q N 2.495 122.338 119.800 0.072 0.000 2.347 484 Q HA 0.342 4.679 4.340 -0.005 0.000 0.262 484 Q C -0.392 175.594 176.000 -0.023 0.000 0.980 484 Q CA -0.689 55.030 55.803 -0.140 0.000 0.867 484 Q CB 1.376 29.742 28.738 -0.620 0.000 1.242 484 Q HN 0.497 nan 8.270 nan 0.000 0.453 485 V N 2.056 121.980 119.914 0.017 0.000 3.083 485 V HA 0.703 4.820 4.120 -0.005 0.000 0.306 485 V C -0.240 175.886 176.094 0.053 0.000 1.077 485 V CA -0.765 61.571 62.300 0.059 0.000 1.073 485 V CB 1.381 33.232 31.823 0.048 0.000 1.081 485 V HN 0.880 nan 8.190 nan 0.000 0.474 486 R N 1.120 121.629 120.500 0.015 0.000 2.535 486 R HA 0.461 4.798 4.340 -0.005 0.000 0.274 486 R C -1.131 175.143 176.300 -0.042 0.000 1.090 486 R CA -0.431 55.671 56.100 0.004 0.000 0.930 486 R CB 2.211 32.531 30.300 0.032 0.000 1.223 486 R HN 1.001 nan 8.270 nan 0.000 0.441 487 E N 4.788 124.977 120.200 -0.018 0.000 2.202 487 E HA 0.417 4.764 4.350 -0.005 0.000 0.272 487 E C -2.251 174.333 176.600 -0.026 0.000 0.951 487 E CA -2.164 54.221 56.400 -0.025 0.000 0.813 487 E CB 2.018 31.713 29.700 -0.008 0.000 1.151 487 E HN 0.405 nan 8.360 nan 0.000 0.398 488 P HA -0.019 nan 4.420 nan 0.000 0.272 488 P C 0.693 177.983 177.300 -0.017 0.000 1.254 488 P CA 0.512 63.592 63.100 -0.033 0.000 0.795 488 P CB 0.514 32.192 31.700 -0.035 0.000 1.022 489 G N -1.106 107.685 108.800 -0.015 0.000 2.336 489 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.233 489 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.233 489 G C 0.301 175.202 174.900 0.001 0.000 1.053 489 G CA 0.089 45.186 45.100 -0.006 0.000 0.625 489 G HN 0.620 nan 8.290 nan 0.000 0.511 490 Q N -0.035 119.768 119.800 0.005 0.000 2.316 490 Q HA 0.562 4.899 4.340 -0.005 0.000 0.215 490 Q C 0.549 176.565 176.000 0.028 0.000 1.020 490 Q CA 0.260 56.075 55.803 0.020 0.000 0.970 490 Q CB 0.618 29.375 28.738 0.032 0.000 1.187 490 Q HN 0.355 nan 8.270 nan 0.000 0.546 491 D N -0.796 119.632 120.400 0.047 0.000 2.135 491 D HA 0.113 4.750 4.640 -0.005 0.000 0.318 491 D C -0.435 175.924 176.300 0.098 0.000 1.109 491 D CA 0.090 54.130 54.000 0.067 0.000 0.952 491 D CB 0.731 41.561 40.800 0.051 0.000 1.816 491 D HN 0.250 nan 8.370 nan 0.000 0.528 492 L N 2.544 123.811 121.223 0.074 0.000 2.322 492 L HA 0.476 4.813 4.340 -0.005 0.000 0.279 492 L C -0.552 176.363 176.870 0.076 0.000 1.036 492 L CA -0.496 54.386 54.840 0.070 0.000 0.807 492 L CB 1.526 43.609 42.059 0.039 0.000 1.226 492 L HN -0.158 nan 8.230 nan 0.000 0.433 493 V N 2.135 122.102 119.914 0.087 0.000 3.158 493 V HA 0.831 4.948 4.120 -0.005 0.000 0.311 493 V C -0.963 175.184 176.094 0.087 0.000 1.181 493 V CA -0.684 61.658 62.300 0.071 0.000 1.054 493 V CB 1.892 33.758 31.823 0.072 0.000 1.085 493 V HN 0.595 nan 8.190 nan 0.000 0.446 494 V N -0.114 119.838 119.914 0.064 0.000 2.567 494 V HA 0.616 4.733 4.120 -0.005 0.000 0.298 494 V C -0.823 175.303 176.094 0.054 0.000 1.047 494 V CA -0.453 61.892 62.300 0.075 0.000 0.880 494 V CB 1.144 32.983 31.823 0.026 0.000 1.009 494 V HN 0.996 nan 8.190 nan 0.000 0.429 495 L N 7.838 129.121 121.223 0.101 0.000 2.261 495 L HA 0.642 4.979 4.340 -0.005 0.000 0.289 495 L C -2.219 174.661 176.870 0.016 0.000 1.059 495 L CA -1.765 53.093 54.840 0.029 0.000 0.816 495 L CB 1.262 43.343 42.059 0.037 0.000 1.191 495 L HN 0.517 nan 8.230 nan 0.000 0.431 496 P HA 0.087 nan 4.420 nan 0.000 0.247 496 P C -0.712 176.588 177.300 -0.001 0.000 1.756 496 P CA -0.487 62.610 63.100 -0.004 0.000 1.117 496 P CB 0.504 32.202 31.700 -0.005 0.000 1.869 497 L N 3.765 124.985 121.223 -0.005 0.000 2.315 497 L HA 0.222 4.559 4.340 -0.005 0.000 0.283 497 L C 0.206 177.015 176.870 -0.103 0.000 1.089 497 L CA 0.029 54.867 54.840 -0.003 0.000 0.833 497 L CB 0.208 42.288 42.059 0.035 0.000 1.170 497 L HN 0.178 nan 8.230 nan 0.000 0.442 498 S N 6.416 122.067 115.700 -0.083 0.000 2.528 498 S HA 0.516 4.983 4.470 -0.005 0.000 0.277 498 S C -0.086 174.327 174.600 -0.311 0.000 1.297 498 S CA -0.731 57.389 58.200 -0.132 0.000 1.052 498 S CB 0.687 63.862 63.200 -0.042 0.000 0.917 498 S HN 0.463 nan 8.310 nan 0.000 0.492 499 I N 3.727 124.062 120.570 -0.392 0.000 2.354 499 I HA 0.372 4.539 4.170 -0.005 0.000 0.286 499 I C 0.755 176.673 176.117 -0.333 0.000 1.007 499 I CA -0.151 60.734 61.300 -0.692 0.000 1.167 499 I CB 0.686 38.314 38.000 -0.620 0.000 1.320 499 I HN 0.906 nan 8.210 nan 0.000 0.458 500 T N 1.094 115.564 114.554 -0.140 0.000 2.910 500 T HA 0.316 4.663 4.350 -0.005 0.000 0.287 500 T C 1.443 176.227 174.700 0.140 0.000 1.050 500 T CA 0.183 62.319 62.100 0.060 0.000 1.011 500 T CB 1.551 70.500 68.868 0.135 0.000 1.195 500 T HN 0.676 nan 8.240 nan 0.000 0.540 501 T N -0.531 114.074 114.554 0.085 0.000 2.714 501 T HA -0.199 4.147 4.350 -0.005 0.000 0.268 501 T C 1.268 176.036 174.700 0.113 0.000 1.036 501 T CA 1.922 64.070 62.100 0.080 0.000 1.148 501 T CB -0.962 67.945 68.868 0.065 0.000 0.856 501 T HN 0.684 nan 8.240 nan 0.000 0.462 502 D N 0.481 120.957 120.400 0.127 0.000 2.351 502 D HA 0.028 4.665 4.640 -0.005 0.000 0.216 502 D C 1.335 177.588 176.300 -0.078 0.000 0.968 502 D CA 0.644 54.650 54.000 0.010 0.000 0.899 502 D CB -0.321 40.421 40.800 -0.096 0.000 0.907 502 D HN 0.546 nan 8.370 nan 0.000 0.514 503 F N 0.358 120.261 119.950 -0.078 0.000 2.530 503 F HA 0.183 4.707 4.527 -0.005 0.000 0.292 503 F C 1.270 177.032 175.800 -0.062 0.000 1.109 503 F CA -0.339 57.597 58.000 -0.106 0.000 1.450 503 F CB 0.098 38.895 39.000 -0.339 0.000 1.114 503 F HN -0.236 nan 8.300 nan 0.000 0.560 504 I N 3.713 124.310 120.570 0.046 0.000 2.826 504 I HA -0.107 4.060 4.170 -0.005 0.000 0.295 504 I C -1.276 174.687 176.117 -0.257 0.000 1.213 504 I CA -0.636 60.539 61.300 -0.209 0.000 1.436 504 I CB 0.492 38.284 38.000 -0.347 0.000 1.348 504 I HN -0.086 nan 8.210 nan 0.000 0.570 505 P HA 0.045 nan 4.420 nan 0.000 0.252 505 P C -0.137 177.131 177.300 -0.053 0.000 1.211 505 P CA 0.359 63.232 63.100 -0.379 0.000 0.824 505 P CB 0.656 32.183 31.700 -0.289 0.000 1.077 506 S N -0.214 115.563 115.700 0.128 0.000 2.567 506 S HA 0.695 5.162 4.470 -0.005 0.000 0.270 506 S C -1.455 173.378 174.600 0.387 0.000 1.152 506 S CA -0.755 57.568 58.200 0.205 0.000 0.835 506 S CB 1.107 64.550 63.200 0.405 0.000 1.115 506 S HN 0.056 nan 8.310 nan 0.000 0.459 507 F N -0.418 119.553 119.950 0.036 0.000 2.631 507 F HA 0.842 5.366 4.527 -0.005 0.000 0.308 507 F C -0.849 175.038 175.800 0.145 0.000 1.097 507 F CA -1.053 57.045 58.000 0.163 0.000 0.952 507 F CB 1.192 40.372 39.000 0.300 0.000 1.307 507 F HN 0.813 nan 8.300 nan 0.000 0.450 508 R N 1.971 122.532 120.500 0.102 0.000 2.782 508 R HA 0.761 5.098 4.340 -0.005 0.000 0.258 508 R C -1.739 174.578 176.300 0.028 0.000 1.055 508 R CA -1.278 54.828 56.100 0.011 0.000 1.065 508 R CB 1.702 32.118 30.300 0.193 0.000 1.172 508 R HN 0.629 nan 8.270 nan 0.000 0.510 509 L N 1.934 123.164 121.223 0.011 0.000 2.409 509 L HA 0.478 4.815 4.340 -0.005 0.000 0.272 509 L C -1.366 175.580 176.870 0.126 0.000 0.980 509 L CA -0.623 54.294 54.840 0.129 0.000 0.826 509 L CB 2.086 44.178 42.059 0.055 0.000 1.268 509 L HN 0.359 nan 8.230 nan 0.000 0.407 510 V N 3.680 123.720 119.914 0.209 0.000 2.483 510 V HA 0.901 5.018 4.120 -0.005 0.000 0.297 510 V C -0.057 176.211 176.094 0.291 0.000 1.027 510 V CA -0.549 61.842 62.300 0.151 0.000 0.855 510 V CB 1.515 33.414 31.823 0.127 0.000 0.995 510 V HN 0.905 nan 8.190 nan 0.000 0.424 511 A N 4.736 127.714 122.820 0.264 0.000 2.539 511 A HA 1.051 5.368 4.320 -0.005 0.000 0.296 511 A C -1.472 176.405 177.584 0.488 0.000 1.073 511 A CA -0.656 51.665 52.037 0.473 0.000 0.700 511 A CB 2.195 21.555 19.000 0.600 0.000 1.296 511 A HN 1.623 nan 8.150 nan 0.000 0.405 512 Y N -1.247 119.322 120.300 0.448 0.000 2.565 512 Y HA 0.676 5.224 4.550 -0.005 0.000 0.330 512 Y C -1.350 174.821 175.900 0.451 0.000 1.150 512 Y CA -1.450 56.860 58.100 0.349 0.000 1.055 512 Y CB 0.440 39.082 38.460 0.304 0.000 1.337 512 Y HN 1.131 nan 8.280 nan 0.000 0.457 513 Y N -0.439 120.045 120.300 0.307 0.000 2.598 513 Y HA 0.886 5.434 4.550 -0.005 0.000 0.340 513 Y C -0.885 175.106 175.900 0.152 0.000 1.038 513 Y CA -1.305 56.844 58.100 0.082 0.000 1.100 513 Y CB 1.987 40.369 38.460 -0.130 0.000 1.281 513 Y HN 0.836 nan 8.280 nan 0.000 0.488 514 T N 2.982 117.632 114.554 0.160 0.000 2.848 514 T HA 0.658 5.005 4.350 -0.005 0.000 0.285 514 T C -1.747 172.970 174.700 0.029 0.000 0.995 514 T CA -0.617 61.506 62.100 0.039 0.000 0.970 514 T CB 0.756 69.595 68.868 -0.049 0.000 0.976 514 T HN 0.875 nan 8.240 nan 0.000 0.441 515 L N 4.445 125.670 121.223 0.003 0.000 2.434 515 L HA 0.837 5.174 4.340 -0.005 0.000 0.260 515 L C -1.802 175.027 176.870 -0.068 0.000 0.983 515 L CA -0.714 54.121 54.840 -0.008 0.000 0.820 515 L CB 1.646 43.743 42.059 0.064 0.000 1.361 515 L HN 0.589 nan 8.230 nan 0.000 0.410 516 I N 2.653 123.173 120.570 -0.084 0.000 2.404 516 I HA 0.943 5.110 4.170 -0.005 0.000 0.293 516 I C 0.507 176.505 176.117 -0.198 0.000 0.992 516 I CA -0.380 60.851 61.300 -0.115 0.000 1.149 516 I CB 1.435 39.388 38.000 -0.079 0.000 1.315 516 I HN 0.961 nan 8.210 nan 0.000 0.446 517 G N 2.840 111.481 108.800 -0.265 0.000 2.554 517 G HA2 0.574 4.531 3.960 -0.005 0.000 0.306 517 G HA3 0.574 4.531 3.960 -0.005 0.000 0.306 517 G C -0.094 174.615 174.900 -0.318 0.000 1.320 517 G CA 0.231 45.022 45.100 -0.516 0.000 0.800 517 G HN 0.979 nan 8.290 nan 0.000 0.481 518 A N -1.405 121.232 122.820 -0.305 0.000 1.344 518 A HA -0.219 4.098 4.320 -0.005 0.000 0.222 518 A C 1.899 179.464 177.584 -0.031 0.000 0.391 518 A CA 3.525 55.518 52.037 -0.073 0.000 1.096 518 A CB -1.792 17.168 19.000 -0.067 0.000 1.468 518 A HN 2.430 nan 8.150 nan 0.000 0.722 519 S N -3.922 111.744 115.700 -0.057 0.000 5.096 519 S HA 0.447 4.914 4.470 -0.005 0.000 0.162 519 S C 0.874 175.447 174.600 -0.044 0.000 1.106 519 S CA 1.355 59.537 58.200 -0.031 0.000 1.330 519 S CB 0.124 63.315 63.200 -0.015 0.000 1.881 519 S HN 2.274 nan 8.310 nan 0.000 0.584 520 G N 1.929 110.699 108.800 -0.049 0.000 4.988 520 G HA2 0.346 4.303 3.960 -0.005 0.000 0.227 520 G HA3 0.346 4.303 3.960 -0.005 0.000 0.227 520 G C -1.006 173.859 174.900 -0.057 0.000 0.955 520 G CA -0.127 44.944 45.100 -0.049 0.000 0.784 520 G HN 0.231 nan 8.290 nan 0.000 0.537 521 Q N 0.888 120.642 119.800 -0.077 0.000 2.348 521 Q HA 0.345 4.682 4.340 -0.005 0.000 0.265 521 Q C -0.360 175.580 176.000 -0.101 0.000 0.998 521 Q CA -0.911 54.842 55.803 -0.084 0.000 0.831 521 Q CB 2.331 31.016 28.738 -0.088 0.000 1.251 521 Q HN 0.352 nan 8.270 nan 0.000 0.456 522 R N 2.542 122.985 120.500 -0.094 0.000 2.316 522 R HA 0.086 4.423 4.340 -0.005 0.000 0.314 522 R C -0.588 175.623 176.300 -0.148 0.000 1.069 522 R CA 0.348 56.385 56.100 -0.104 0.000 0.959 522 R CB 0.312 30.563 30.300 -0.082 0.000 0.987 522 R HN 0.532 nan 8.270 nan 0.000 0.446 523 E N 2.720 122.823 120.200 -0.162 0.000 2.207 523 E HA 0.511 4.858 4.350 -0.005 0.000 0.270 523 E C -1.416 175.027 176.600 -0.262 0.000 0.927 523 E CA -1.023 55.242 56.400 -0.225 0.000 0.799 523 E CB 1.507 31.103 29.700 -0.174 0.000 1.172 523 E HN 0.375 nan 8.360 nan 0.000 0.404 524 V N 4.565 124.231 119.914 -0.414 0.000 2.498 524 V HA 0.225 4.342 4.120 -0.005 0.000 0.283 524 V C -0.833 175.018 176.094 -0.405 0.000 1.015 524 V CA -0.777 61.275 62.300 -0.413 0.000 0.867 524 V CB 1.534 33.041 31.823 -0.527 0.000 1.025 524 V HN 0.485 nan 8.190 nan 0.000 0.441 525 V N 3.694 123.338 119.914 -0.449 0.000 2.427 525 V HA 0.942 5.059 4.120 -0.005 0.000 0.286 525 V C 0.437 176.432 176.094 -0.165 0.000 1.034 525 V CA -0.186 61.931 62.300 -0.306 0.000 0.893 525 V CB 1.508 33.034 31.823 -0.494 0.000 0.982 525 V HN 0.954 nan 8.190 nan 0.000 0.452 526 A N 3.447 126.336 122.820 0.116 0.000 2.485 526 A HA 0.923 5.240 4.320 -0.005 0.000 0.292 526 A C -1.325 176.327 177.584 0.114 0.000 1.147 526 A CA -0.531 51.574 52.037 0.113 0.000 0.750 526 A CB 2.170 21.105 19.000 -0.109 0.000 1.331 526 A HN 0.793 nan 8.150 nan 0.000 0.419 527 D N -1.305 119.131 120.400 0.059 0.000 2.609 527 D HA 0.593 5.230 4.640 -0.005 0.000 0.239 527 D C -0.595 175.707 176.300 0.002 0.000 1.229 527 D CA 0.363 54.399 54.000 0.060 0.000 0.808 527 D CB 2.046 42.899 40.800 0.088 0.000 1.448 527 D HN 0.772 nan 8.370 nan 0.000 0.433 528 S N 0.977 116.690 115.700 0.022 0.000 2.671 528 S HA 0.869 5.336 4.470 -0.005 0.000 0.299 528 S C -1.603 173.007 174.600 0.017 0.000 1.116 528 S CA -0.589 57.621 58.200 0.018 0.000 0.912 528 S CB 1.766 64.982 63.200 0.028 0.000 1.130 528 S HN 0.703 nan 8.310 nan 0.000 0.501 529 V N 1.993 121.908 119.914 0.002 0.000 2.823 529 V HA 0.505 4.622 4.120 -0.005 0.000 0.296 529 V C -2.180 173.893 176.094 -0.035 0.000 1.250 529 V CA -0.546 61.744 62.300 -0.017 0.000 0.939 529 V CB 1.548 33.300 31.823 -0.117 0.000 1.062 529 V HN 1.059 nan 8.190 nan 0.000 0.433 530 W N 7.539 128.749 121.300 -0.150 0.000 2.331 530 W HA 0.720 5.377 4.660 -0.005 0.000 0.306 530 W C -0.970 175.403 176.519 -0.244 0.000 1.162 530 W CA -0.418 56.813 57.345 -0.191 0.000 1.232 530 W CB 1.461 30.870 29.460 -0.085 0.000 1.235 530 W HN 0.506 nan 8.180 nan 0.000 0.479 531 V N 6.977 126.191 119.914 -1.166 0.000 2.459 531 V HA 0.174 4.291 4.120 -0.005 0.000 0.295 531 V C -0.001 175.353 176.094 -1.234 0.000 1.029 531 V CA -0.932 60.715 62.300 -1.087 0.000 0.874 531 V CB 1.404 32.741 31.823 -0.810 0.000 0.985 531 V HN 0.476 nan 8.190 nan 0.000 0.438 532 D N 2.636 122.392 120.400 -1.075 0.000 2.304 532 D HA 0.481 5.118 4.640 -0.005 0.000 0.247 532 D C -0.661 175.484 176.300 -0.259 0.000 1.089 532 D CA 0.191 53.779 54.000 -0.687 0.000 0.910 532 D CB 1.947 42.465 40.800 -0.470 0.000 1.199 532 D HN 0.276 nan 8.370 nan 0.000 0.426 533 V N 2.530 122.359 119.914 -0.141 0.000 3.001 533 V HA 0.218 4.335 4.120 -0.005 0.000 0.314 533 V C -0.088 175.933 176.094 -0.122 0.000 1.099 533 V CA -1.084 61.160 62.300 -0.093 0.000 0.989 533 V CB 2.039 33.833 31.823 -0.048 0.000 1.040 533 V HN 0.447 nan 8.190 nan 0.000 0.434 534 K N 2.325 122.657 120.400 -0.112 0.000 2.395 534 K HA 0.098 4.415 4.320 -0.005 0.000 0.283 534 K C -0.578 175.914 176.600 -0.179 0.000 1.068 534 K CA 0.229 56.451 56.287 -0.109 0.000 1.039 534 K CB -0.471 31.983 32.500 -0.078 0.000 0.924 534 K HN 0.618 nan 8.250 nan 0.000 0.468 535 D N 2.462 122.743 120.400 -0.198 0.000 2.417 535 D HA 0.183 4.820 4.640 -0.005 0.000 0.250 535 D C -0.468 175.733 176.300 -0.164 0.000 1.166 535 D CA 0.426 54.225 54.000 -0.334 0.000 0.881 535 D CB 0.622 41.285 40.800 -0.228 0.000 1.164 535 D HN 0.581 nan 8.370 nan 0.000 0.467 536 S N 0.534 116.143 115.700 -0.151 0.000 2.615 536 S HA 0.356 4.823 4.470 -0.005 0.000 0.268 536 S C -0.466 174.262 174.600 0.214 0.000 1.146 536 S CA -1.112 57.115 58.200 0.045 0.000 0.818 536 S CB 0.383 63.581 63.200 -0.003 0.000 1.111 536 S HN 0.516 nan 8.310 nan 0.000 0.465 537 C N 1.449 120.868 119.300 0.199 0.000 2.727 537 C HA 0.297 4.754 4.460 -0.005 0.000 0.401 537 C C 2.390 177.491 174.990 0.185 0.000 1.294 537 C CA 0.178 59.322 59.018 0.209 0.000 2.134 537 C CB -0.094 27.701 27.740 0.092 0.000 2.724 537 C HN 0.681 nan 8.230 nan 0.000 0.677 538 V N 3.009 123.043 119.914 0.200 0.000 2.302 538 V HA 0.121 4.238 4.120 -0.005 0.000 0.243 538 V C 1.637 177.777 176.094 0.076 0.000 1.036 538 V CA 1.822 64.212 62.300 0.149 0.000 1.020 538 V CB -1.580 30.339 31.823 0.160 0.000 0.657 538 V HN 1.031 nan 8.190 nan 0.000 0.453 539 G N 0.192 109.023 108.800 0.052 0.000 2.531 539 G HA2 0.506 4.463 3.960 -0.005 0.000 0.253 539 G HA3 0.506 4.463 3.960 -0.005 0.000 0.253 539 G C -0.366 174.550 174.900 0.026 0.000 1.439 539 G CA 0.399 45.516 45.100 0.027 0.000 1.056 539 G HN 0.613 nan 8.290 nan 0.000 0.555 540 S N -1.823 113.885 115.700 0.013 0.000 2.588 540 S HA 0.723 5.190 4.470 -0.005 0.000 0.275 540 S C -1.461 173.141 174.600 0.003 0.000 1.130 540 S CA -0.672 57.535 58.200 0.013 0.000 0.855 540 S CB 2.163 65.372 63.200 0.015 0.000 1.116 540 S HN 0.806 nan 8.310 nan 0.000 0.472 541 L N 1.301 122.525 121.223 0.003 0.000 2.641 541 L HA 0.698 5.035 4.340 -0.005 0.000 0.261 541 L C -1.601 175.272 176.870 0.005 0.000 0.926 541 L CA -0.161 54.678 54.840 -0.001 0.000 0.917 541 L CB 1.844 43.894 42.059 -0.016 0.000 1.361 541 L HN 0.846 nan 8.230 nan 0.000 0.417 542 V N 2.668 122.586 119.914 0.008 0.000 3.130 542 V HA 0.844 4.961 4.120 -0.005 0.000 0.310 542 V C -0.949 175.153 176.094 0.014 0.000 1.158 542 V CA -1.006 61.301 62.300 0.012 0.000 1.029 542 V CB 2.202 34.033 31.823 0.013 0.000 1.057 542 V HN 0.376 nan 8.190 nan 0.000 0.436 543 V N 1.789 121.713 119.914 0.018 0.000 2.638 543 V HA 0.724 4.841 4.120 -0.005 0.000 0.306 543 V C -0.425 175.681 176.094 0.020 0.000 1.052 543 V CA -0.636 61.676 62.300 0.020 0.000 0.885 543 V CB 1.730 33.568 31.823 0.024 0.000 0.999 543 V HN 1.128 nan 8.190 nan 0.000 0.424 544 K N 0.966 121.378 120.400 0.019 0.000 2.495 544 K HA 0.666 4.983 4.320 -0.005 0.000 0.268 544 K C -0.526 176.085 176.600 0.018 0.000 1.008 544 K CA -0.686 55.612 56.287 0.019 0.000 0.882 544 K CB 2.029 34.538 32.500 0.016 0.000 1.443 544 K HN 0.400 nan 8.250 nan 0.000 0.447 545 S N 0.644 116.355 115.700 0.018 0.000 3.065 545 S HA 0.161 4.628 4.470 -0.005 0.000 0.311 545 S C 1.017 175.626 174.600 0.014 0.000 1.204 545 S CA -0.092 58.119 58.200 0.017 0.000 1.040 545 S CB -0.947 62.264 63.200 0.018 0.000 1.436 545 S HN 0.736 nan 8.310 nan 0.000 0.532 546 G N 2.831 111.639 108.800 0.013 0.000 2.408 546 G HA2 -0.108 3.849 3.960 -0.005 0.000 0.217 546 G HA3 -0.108 3.849 3.960 -0.005 0.000 0.217 546 G C 0.613 175.519 174.900 0.010 0.000 1.150 546 G CA 0.089 45.196 45.100 0.011 0.000 0.776 546 G HN 0.688 nan 8.290 nan 0.000 0.542 547 Q N 1.491 121.297 119.800 0.011 0.000 2.256 547 Q HA 0.226 4.563 4.340 -0.005 0.000 0.281 547 Q C 0.674 176.680 176.000 0.009 0.000 1.162 547 Q CA 0.222 56.031 55.803 0.009 0.000 0.943 547 Q CB 0.144 28.887 28.738 0.009 0.000 1.195 547 Q HN 0.535 nan 8.270 nan 0.000 0.403 548 S N 3.040 118.745 115.700 0.008 0.000 3.523 548 S HA -0.301 4.166 4.470 -0.005 0.000 0.218 548 S C 0.423 175.028 174.600 0.008 0.000 0.645 548 S CA 0.844 59.049 58.200 0.007 0.000 1.390 548 S CB -0.864 62.340 63.200 0.006 0.000 1.199 548 S HN 0.953 nan 8.310 nan 0.000 0.375 549 E N 0.917 121.123 120.200 0.009 0.000 4.239 549 E HA -0.312 4.035 4.350 -0.005 0.000 0.202 549 E C 0.227 176.834 176.600 0.012 0.000 1.315 549 E CA 2.669 59.075 56.400 0.010 0.000 2.198 549 E CB -0.900 28.805 29.700 0.009 0.000 1.906 549 E HN 0.981 nan 8.360 nan 0.000 0.275 550 D N -1.563 118.843 120.400 0.011 0.000 2.552 550 D HA 0.528 5.165 4.640 -0.005 0.000 0.239 550 D C 0.505 176.812 176.300 0.011 0.000 1.139 550 D CA -0.629 53.379 54.000 0.012 0.000 0.914 550 D CB 2.200 43.008 40.800 0.012 0.000 1.461 550 D HN -0.008 nan 8.370 nan 0.000 0.462 551 R N -0.157 120.351 120.500 0.012 0.000 2.433 551 R HA 0.038 4.375 4.340 -0.005 0.000 0.029 551 R C -1.008 175.299 176.300 0.011 0.000 0.820 551 R CA 0.099 56.205 56.100 0.010 0.000 3.313 551 R CB -0.164 30.141 30.300 0.008 0.000 0.894 551 R HN 0.667 nan 8.270 nan 0.000 0.556 552 Q N 0.928 120.736 119.800 0.013 0.000 1.902 552 Q HA -0.011 4.326 4.340 -0.005 0.000 0.261 552 Q C -2.692 173.314 176.000 0.011 0.000 0.600 552 Q CA -0.148 55.664 55.803 0.015 0.000 0.392 552 Q CB -0.119 28.629 28.738 0.017 0.000 0.429 552 Q HN 0.200 nan 8.270 nan 0.000 0.320 553 P HA 0.656 nan 4.420 nan 0.000 0.283 553 P C -0.988 176.314 177.300 0.002 0.000 1.278 553 P CA -0.599 62.505 63.100 0.007 0.000 0.834 553 P CB 1.438 33.144 31.700 0.010 0.000 1.150 554 V N 0.894 120.806 119.914 -0.002 0.000 2.815 554 V HA 0.329 4.446 4.120 -0.005 0.000 0.314 554 V C -2.290 173.799 176.094 -0.008 0.000 1.064 554 V CA -2.134 60.160 62.300 -0.010 0.000 0.952 554 V CB 1.557 33.371 31.823 -0.014 0.000 1.020 554 V HN 0.573 nan 8.190 nan 0.000 0.439 555 P HA 0.154 nan 4.420 nan 0.000 0.255 555 P C 0.764 178.060 177.300 -0.008 0.000 1.161 555 P CA 1.792 64.886 63.100 -0.010 0.000 0.768 555 P CB -0.027 31.662 31.700 -0.018 0.000 0.746 556 G N 2.089 110.887 108.800 -0.003 0.000 2.284 556 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.216 556 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.216 556 G C 0.311 175.211 174.900 -0.000 0.000 1.009 556 G CA -0.239 44.860 45.100 -0.002 0.000 0.625 556 G HN 0.634 nan 8.290 nan 0.000 0.501 557 Q N 1.091 120.891 119.800 0.000 0.000 2.361 557 Q HA 0.383 4.720 4.340 -0.005 0.000 0.276 557 Q C 0.084 176.086 176.000 0.004 0.000 1.022 557 Q CA 0.339 56.143 55.803 0.001 0.000 0.898 557 Q CB 0.212 28.951 28.738 0.002 0.000 1.246 557 Q HN 0.559 nan 8.270 nan 0.000 0.410 558 Q N 4.090 123.892 119.800 0.004 0.000 2.303 558 Q HA 0.316 4.653 4.340 -0.005 0.000 0.257 558 Q C -0.252 175.752 176.000 0.007 0.000 0.941 558 Q CA -0.166 55.640 55.803 0.006 0.000 0.931 558 Q CB 1.229 29.970 28.738 0.005 0.000 1.215 558 Q HN 0.603 nan 8.270 nan 0.000 0.437 559 M N -0.391 119.214 119.600 0.009 0.000 2.655 559 M HA 0.728 5.205 4.480 -0.005 0.000 0.271 559 M C -0.690 175.616 176.300 0.011 0.000 1.013 559 M CA -0.693 54.613 55.300 0.010 0.000 0.994 559 M CB 1.885 34.492 32.600 0.012 0.000 1.585 559 M HN 0.182 nan 8.290 nan 0.000 0.569 560 T N 1.232 115.793 114.554 0.012 0.000 2.912 560 T HA 0.666 5.013 4.350 -0.005 0.000 0.299 560 T C -1.414 173.295 174.700 0.014 0.000 1.052 560 T CA -0.559 61.548 62.100 0.012 0.000 0.996 560 T CB 1.900 70.774 68.868 0.011 0.000 1.070 560 T HN 0.437 nan 8.240 nan 0.000 0.465 561 L N 2.934 124.166 121.223 0.015 0.000 2.318 561 L HA 0.416 4.753 4.340 -0.005 0.000 0.277 561 L C 0.362 177.241 176.870 0.016 0.000 1.008 561 L CA -0.396 54.454 54.840 0.016 0.000 0.846 561 L CB 1.134 43.204 42.059 0.019 0.000 1.220 561 L HN 0.453 nan 8.230 nan 0.000 0.423 562 K N 4.212 124.620 120.400 0.015 0.000 2.453 562 K HA 0.229 4.546 4.320 -0.005 0.000 0.280 562 K C -0.521 176.088 176.600 0.016 0.000 1.045 562 K CA 0.446 56.741 56.287 0.014 0.000 1.059 562 K CB 0.398 32.906 32.500 0.013 0.000 0.901 562 K HN 0.474 nan 8.250 nan 0.000 0.475 563 I N 3.312 123.892 120.570 0.016 0.000 2.378 563 I HA 0.177 4.344 4.170 -0.005 0.000 0.291 563 I C -0.076 176.051 176.117 0.016 0.000 0.992 563 I CA -0.428 60.881 61.300 0.016 0.000 1.154 563 I CB 1.588 39.598 38.000 0.016 0.000 1.315 563 I HN 0.448 nan 8.210 nan 0.000 0.448 564 E N 4.569 124.778 120.200 0.014 0.000 2.185 564 E HA 0.652 4.999 4.350 -0.005 0.000 0.261 564 E C -0.223 176.386 176.600 0.014 0.000 0.879 564 E CA -0.425 55.984 56.400 0.015 0.000 0.756 564 E CB 2.328 32.036 29.700 0.013 0.000 1.152 564 E HN 0.852 nan 8.360 nan 0.000 0.416 565 G N 2.633 111.443 108.800 0.018 0.000 2.753 565 G HA2 0.206 4.163 3.960 -0.005 0.000 0.303 565 G HA3 0.206 4.163 3.960 -0.005 0.000 0.303 565 G C -1.394 173.521 174.900 0.025 0.000 1.242 565 G CA -0.729 44.380 45.100 0.014 0.000 0.810 565 G HN 0.373 nan 8.290 nan 0.000 0.515 566 D N 0.065 120.476 120.400 0.018 0.000 2.295 566 D HA 0.433 5.070 4.640 -0.005 0.000 0.248 566 D C 0.070 176.400 176.300 0.049 0.000 1.154 566 D CA -0.090 53.929 54.000 0.033 0.000 0.857 566 D CB 1.007 41.812 40.800 0.009 0.000 1.117 566 D HN 0.454 nan 8.370 nan 0.000 0.468 567 H N 1.735 120.801 119.070 -0.006 0.000 3.094 567 H HA 0.269 4.822 4.556 -0.005 0.000 0.320 567 H C 1.392 176.716 175.328 -0.007 0.000 1.000 567 H CA 1.272 57.317 56.048 -0.005 0.000 1.413 567 H CB 0.312 30.072 29.762 -0.004 0.000 1.405 567 H HN 0.629 nan 8.280 nan 0.000 0.586 568 G N 2.477 110.915 108.800 -0.602 0.000 2.160 568 G HA2 -0.103 3.854 3.960 -0.005 0.000 0.244 568 G HA3 -0.103 3.854 3.960 -0.005 0.000 0.244 568 G C 0.139 174.927 174.900 -0.188 0.000 1.022 568 G CA 0.350 45.188 45.100 -0.437 0.000 0.741 568 G HN 0.951 nan 8.290 nan 0.000 0.508 569 A N -0.730 122.013 122.820 -0.128 0.000 2.313 569 A HA 0.968 5.285 4.320 -0.005 0.000 0.323 569 A C 0.318 177.867 177.584 -0.059 0.000 1.133 569 A CA -0.057 51.934 52.037 -0.077 0.000 0.847 569 A CB 1.143 20.109 19.000 -0.056 0.000 1.308 569 A HN 1.029 nan 8.150 nan 0.000 0.475 570 R N 0.349 120.823 120.500 -0.043 0.000 2.534 570 R HA 0.627 4.964 4.340 -0.005 0.000 0.301 570 R C -1.931 174.359 176.300 -0.016 0.000 0.961 570 R CA -0.338 55.749 56.100 -0.021 0.000 0.871 570 R CB 1.570 31.867 30.300 -0.004 0.000 1.170 570 R HN 0.475 nan 8.270 nan 0.000 0.446 571 V N 4.966 124.878 119.914 -0.003 0.000 2.547 571 V HA 0.465 4.582 4.120 -0.005 0.000 0.299 571 V C -0.368 175.746 176.094 0.033 0.000 1.040 571 V CA -0.710 61.592 62.300 0.003 0.000 0.913 571 V CB 1.722 33.546 31.823 0.002 0.000 0.992 571 V HN 0.635 nan 8.190 nan 0.000 0.449 572 V N 3.415 123.364 119.914 0.057 0.000 2.483 572 V HA 0.666 4.783 4.120 -0.005 0.000 0.297 572 V C -0.672 175.474 176.094 0.087 0.000 1.027 572 V CA -0.623 61.732 62.300 0.091 0.000 0.855 572 V CB 1.380 33.304 31.823 0.167 0.000 0.995 572 V HN 0.649 nan 8.190 nan 0.000 0.424 573 L N 4.637 125.900 121.223 0.066 0.000 2.344 573 L HA 0.896 5.233 4.340 -0.005 0.000 0.272 573 L C -0.350 176.559 176.870 0.066 0.000 1.035 573 L CA -0.981 53.895 54.840 0.060 0.000 0.807 573 L CB 1.984 44.070 42.059 0.044 0.000 1.237 573 L HN 0.628 nan 8.230 nan 0.000 0.442 574 V N 0.978 120.934 119.914 0.070 0.000 2.969 574 V HA 0.832 4.949 4.120 -0.005 0.000 0.304 574 V C -1.224 174.909 176.094 0.065 0.000 1.192 574 V CA -0.266 62.076 62.300 0.070 0.000 0.962 574 V CB 2.134 34.011 31.823 0.090 0.000 1.045 574 V HN 0.889 nan 8.190 nan 0.000 0.428 575 A N 4.971 127.821 122.820 0.050 0.000 2.355 575 A HA 0.978 5.295 4.320 -0.005 0.000 0.324 575 A C -1.277 176.318 177.584 0.019 0.000 1.117 575 A CA -0.578 51.483 52.037 0.040 0.000 0.785 575 A CB 2.006 21.023 19.000 0.028 0.000 1.254 575 A HN 1.317 nan 8.150 nan 0.000 0.453 576 V N 1.389 121.299 119.914 -0.005 0.000 2.888 576 V HA 0.290 4.407 4.120 -0.005 0.000 0.309 576 V C -0.975 175.012 176.094 -0.178 0.000 1.114 576 V CA -0.857 61.383 62.300 -0.100 0.000 0.940 576 V CB 2.088 33.825 31.823 -0.144 0.000 1.021 576 V HN 0.972 nan 8.190 nan 0.000 0.426 577 D N 2.793 123.070 120.400 -0.205 0.000 2.358 577 D HA 0.119 4.756 4.640 -0.005 0.000 0.258 577 D C 1.092 177.191 176.300 -0.335 0.000 1.223 577 D CA 0.210 54.099 54.000 -0.185 0.000 0.886 577 D CB 1.184 41.913 40.800 -0.119 0.000 1.120 577 D HN 0.527 nan 8.370 nan 0.000 0.482 578 K N 2.511 122.765 120.400 -0.244 0.000 2.173 578 K HA -0.190 4.127 4.320 -0.005 0.000 0.207 578 K C 1.858 178.274 176.600 -0.306 0.000 1.046 578 K CA 1.137 57.256 56.287 -0.279 0.000 0.929 578 K CB -0.184 32.317 32.500 0.001 0.000 0.720 578 K HN 0.642 nan 8.250 nan 0.000 0.453 579 G N 1.290 109.964 108.800 -0.210 0.000 2.703 579 G HA2 -0.366 3.591 3.960 -0.005 0.000 0.222 579 G HA3 -0.366 3.591 3.960 -0.005 0.000 0.222 579 G C 1.477 176.216 174.900 -0.268 0.000 1.183 579 G CA 1.531 46.516 45.100 -0.192 0.000 0.775 579 G HN 0.202 nan 8.290 nan 0.000 0.615 580 V N 0.620 120.306 119.914 -0.379 0.000 2.313 580 V HA -0.267 3.850 4.120 -0.005 0.000 0.253 580 V C 2.659 178.607 176.094 -0.244 0.000 1.070 580 V CA 2.368 64.430 62.300 -0.396 0.000 1.057 580 V CB -0.624 30.919 31.823 -0.466 0.000 0.653 580 V HN 0.364 nan 8.190 nan 0.000 0.450 581 F N -0.368 119.516 119.950 -0.110 0.000 2.186 581 F HA -0.081 4.443 4.527 -0.005 0.000 0.299 581 F C 2.333 178.068 175.800 -0.108 0.000 1.090 581 F CA 0.759 58.706 58.000 -0.088 0.000 1.307 581 F CB -1.595 37.373 39.000 -0.053 0.000 1.019 581 F HN 0.004 nan 8.300 nan 0.000 0.489 582 V N -0.040 119.891 119.914 0.027 0.000 2.439 582 V HA -0.299 3.818 4.120 -0.005 0.000 0.253 582 V C 2.307 178.347 176.094 -0.090 0.000 1.074 582 V CA 1.351 63.617 62.300 -0.057 0.000 1.076 582 V CB -0.830 30.909 31.823 -0.141 0.000 0.664 582 V HN 0.178 nan 8.190 nan 0.000 0.461 583 L N -0.690 120.450 121.223 -0.138 0.000 2.004 583 L HA 0.118 4.455 4.340 -0.005 0.000 0.205 583 L C 1.151 177.973 176.870 -0.081 0.000 1.089 583 L CA 1.566 56.304 54.840 -0.171 0.000 0.756 583 L CB -0.630 41.215 42.059 -0.357 0.000 0.900 583 L HN 0.379 nan 8.230 nan 0.000 0.440 584 N N -0.061 118.617 118.700 -0.037 0.000 2.399 584 N HA 0.190 4.927 4.740 -0.005 0.000 0.284 584 N C -0.441 175.140 175.510 0.119 0.000 1.025 584 N CA -0.102 52.967 53.050 0.032 0.000 0.885 584 N CB 1.263 39.773 38.487 0.039 0.000 1.339 584 N HN 0.265 nan 8.380 nan 0.000 0.487 585 K N 1.697 122.136 120.400 0.065 0.000 2.564 585 K HA 0.303 4.620 4.320 -0.005 0.000 0.205 585 K C -0.363 176.215 176.600 -0.037 0.000 1.053 585 K CA -0.405 55.879 56.287 -0.004 0.000 1.072 585 K CB 0.527 32.978 32.500 -0.082 0.000 0.822 585 K HN 0.256 nan 8.250 nan 0.000 0.497 586 K N 1.243 121.660 120.400 0.029 0.000 2.132 586 K HA 0.187 4.504 4.320 -0.005 0.000 0.241 586 K C -0.324 176.318 176.600 0.071 0.000 1.000 586 K CA -0.772 55.537 56.287 0.037 0.000 0.911 586 K CB 0.583 33.113 32.500 0.050 0.000 1.093 586 K HN 0.244 nan 8.250 nan 0.000 0.460 587 N N -0.028 118.718 118.700 0.076 0.000 2.707 587 N HA -0.252 4.485 4.740 -0.005 0.000 0.253 587 N C -0.830 174.748 175.510 0.115 0.000 0.998 587 N CA 0.920 54.034 53.050 0.106 0.000 0.751 587 N CB -1.255 37.316 38.487 0.139 0.000 0.920 587 N HN 0.463 nan 8.380 nan 0.000 0.539 588 K N -0.651 119.793 120.400 0.073 0.000 2.362 588 K HA 0.523 4.840 4.320 -0.005 0.000 0.245 588 K C -0.127 176.521 176.600 0.079 0.000 1.040 588 K CA -0.899 55.431 56.287 0.070 0.000 0.961 588 K CB 0.453 32.946 32.500 -0.013 0.000 1.252 588 K HN 0.095 nan 8.250 nan 0.000 0.503 589 L N 0.523 121.794 121.223 0.080 0.000 2.307 589 L HA 0.335 4.671 4.340 -0.005 0.000 0.284 589 L C -1.166 175.724 176.870 0.034 0.000 1.023 589 L CA 0.327 55.215 54.840 0.080 0.000 0.810 589 L CB 1.732 43.859 42.059 0.113 0.000 1.231 589 L HN 0.497 nan 8.230 nan 0.000 0.423 590 T N 3.053 117.621 114.554 0.023 0.000 3.011 590 T HA 0.168 4.515 4.350 -0.005 0.000 0.303 590 T C 0.470 175.158 174.700 -0.020 0.000 0.997 590 T CA -0.290 61.817 62.100 0.011 0.000 1.007 590 T CB 1.703 70.592 68.868 0.034 0.000 1.017 590 T HN 0.583 nan 8.240 nan 0.000 0.443 591 Q N 2.977 122.754 119.800 -0.039 0.000 2.065 591 Q HA -0.250 4.087 4.340 -0.005 0.000 0.213 591 Q C 2.269 178.268 176.000 -0.001 0.000 1.012 591 Q CA 2.988 58.745 55.803 -0.076 0.000 0.876 591 Q CB -0.584 28.185 28.738 0.051 0.000 0.954 591 Q HN 0.807 nan 8.270 nan 0.000 0.413 592 S N -0.391 115.406 115.700 0.163 0.000 2.400 592 S HA -0.149 4.318 4.470 -0.005 0.000 0.232 592 S C 1.674 176.375 174.600 0.168 0.000 1.025 592 S CA 1.345 59.701 58.200 0.260 0.000 0.993 592 S CB -0.310 63.010 63.200 0.201 0.000 0.808 592 S HN 0.375 nan 8.310 nan 0.000 0.478 593 K N 0.624 121.081 120.400 0.096 0.000 2.439 593 K HA 0.177 4.494 4.320 -0.005 0.000 0.197 593 K C 1.677 178.343 176.600 0.109 0.000 1.041 593 K CA 0.641 56.988 56.287 0.099 0.000 0.970 593 K CB -0.266 32.290 32.500 0.094 0.000 0.773 593 K HN 0.491 nan 8.250 nan 0.000 0.479 594 I N -0.843 119.735 120.570 0.014 0.000 2.185 594 I HA -0.200 3.967 4.170 -0.005 0.000 0.235 594 I C 1.720 177.811 176.117 -0.043 0.000 1.069 594 I CA 1.132 62.402 61.300 -0.051 0.000 1.354 594 I CB -0.488 37.185 38.000 -0.545 0.000 1.093 594 I HN 0.245 nan 8.210 nan 0.000 0.411 595 W N 1.601 122.938 121.300 0.061 0.000 2.336 595 W HA -0.272 4.385 4.660 -0.005 0.000 0.277 595 W C 2.195 178.752 176.519 0.064 0.000 1.211 595 W CA 0.861 58.247 57.345 0.069 0.000 1.187 595 W CB -0.535 28.966 29.460 0.068 0.000 1.132 595 W HN 0.267 nan 8.180 nan 0.000 0.562 596 D N 0.155 120.699 120.400 0.239 0.000 2.088 596 D HA -0.192 4.445 4.640 -0.005 0.000 0.191 596 D C 2.116 178.471 176.300 0.092 0.000 0.992 596 D CA 1.988 56.078 54.000 0.150 0.000 0.831 596 D CB -0.572 40.295 40.800 0.113 0.000 0.973 596 D HN -0.057 nan 8.370 nan 0.000 0.447 597 V N 0.479 120.416 119.914 0.040 0.000 2.220 597 V HA -0.304 3.813 4.120 -0.005 0.000 0.250 597 V C 2.794 178.807 176.094 -0.134 0.000 1.056 597 V CA 1.934 64.183 62.300 -0.085 0.000 1.016 597 V CB -0.825 30.867 31.823 -0.217 0.000 0.639 597 V HN 0.133 nan 8.190 nan 0.000 0.446 598 V N -0.573 119.270 119.914 -0.117 0.000 2.370 598 V HA -0.279 3.838 4.120 -0.005 0.000 0.252 598 V C 1.897 178.101 176.094 0.183 0.000 1.068 598 V CA 2.170 64.494 62.300 0.040 0.000 1.061 598 V CB -0.630 31.397 31.823 0.341 0.000 0.656 598 V HN 0.645 nan 8.190 nan 0.000 0.455 599 E N -1.270 119.038 120.200 0.181 0.000 2.569 599 E HA 0.118 4.465 4.350 -0.005 0.000 0.205 599 E C 1.465 178.113 176.600 0.080 0.000 1.006 599 E CA -0.189 56.306 56.400 0.159 0.000 0.985 599 E CB 0.459 30.284 29.700 0.208 0.000 1.060 599 E HN 0.563 nan 8.360 nan 0.000 0.460 600 K N 0.227 120.659 120.400 0.053 0.000 2.242 600 K HA 0.128 4.445 4.320 -0.005 0.000 0.200 600 K C 1.441 178.062 176.600 0.036 0.000 1.050 600 K CA 0.498 56.801 56.287 0.026 0.000 0.981 600 K CB 0.448 32.956 32.500 0.013 0.000 0.795 600 K HN -0.088 nan 8.250 nan 0.000 0.477 601 A N 1.874 124.728 122.820 0.056 0.000 2.579 601 A HA 0.025 4.342 4.320 -0.005 0.000 0.273 601 A C -0.064 177.612 177.584 0.153 0.000 1.363 601 A CA -0.173 51.930 52.037 0.111 0.000 0.953 601 A CB -0.323 18.771 19.000 0.158 0.000 1.034 601 A HN 0.137 nan 8.150 nan 0.000 0.536 602 D N -0.017 120.450 120.400 0.112 0.000 2.371 602 D HA 0.173 4.810 4.640 -0.005 0.000 0.242 602 D C 1.276 177.626 176.300 0.085 0.000 1.218 602 D CA 0.314 54.382 54.000 0.113 0.000 0.945 602 D CB 0.715 41.558 40.800 0.072 0.000 1.137 602 D HN 0.388 nan 8.370 nan 0.000 0.464 603 I N -1.803 118.817 120.570 0.083 0.000 4.035 603 I HA 0.342 4.509 4.170 -0.005 0.000 0.321 603 I C 0.898 177.046 176.117 0.052 0.000 1.289 603 I CA -0.285 61.051 61.300 0.061 0.000 1.236 603 I CB 0.451 38.489 38.000 0.063 0.000 1.076 603 I HN 0.146 nan 8.210 nan 0.000 0.418 604 G N 0.180 109.013 108.800 0.054 0.000 2.415 604 G HA2 0.406 4.363 3.960 -0.005 0.000 0.269 604 G HA3 0.406 4.363 3.960 -0.005 0.000 0.269 604 G C 0.104 174.994 174.900 -0.016 0.000 1.209 604 G CA -0.286 44.835 45.100 0.035 0.000 0.835 604 G HN 0.448 nan 8.290 nan 0.000 0.534 605 c N 0.140 118.731 118.600 -0.016 0.000 3.449 605 c HA 0.311 4.878 4.570 -0.005 0.000 0.404 605 c C 1.051 175.115 174.090 -0.043 0.000 1.383 605 c CA -0.043 56.265 56.329 -0.035 0.000 1.936 605 c CB -0.240 42.268 42.510 -0.002 0.000 2.738 605 c HN 0.621 nan 8.230 nan 0.000 0.663 606 T N 3.484 118.032 114.554 -0.010 0.000 2.794 606 T HA 0.282 4.629 4.350 -0.005 0.000 0.280 606 T C -1.799 172.906 174.700 0.008 0.000 0.987 606 T CA -0.564 61.551 62.100 0.025 0.000 0.993 606 T CB 1.526 70.460 68.868 0.109 0.000 0.939 606 T HN 0.081 nan 8.240 nan 0.000 0.449 607 P HA 0.092 nan 4.420 nan 0.000 0.240 607 P C 0.492 177.894 177.300 0.171 0.000 1.186 607 P CA 0.542 63.688 63.100 0.077 0.000 0.755 607 P CB -0.378 31.375 31.700 0.089 0.000 0.870 608 G N -2.249 106.647 108.800 0.159 0.000 2.307 608 G HA2 0.267 4.224 3.960 -0.005 0.000 0.348 608 G HA3 0.267 4.224 3.960 -0.005 0.000 0.348 608 G C -0.564 174.464 174.900 0.213 0.000 1.603 608 G CA -0.165 45.038 45.100 0.171 0.000 0.961 608 G HN 0.139 nan 8.290 nan 0.000 0.686 609 S N -1.496 114.312 115.700 0.180 0.000 3.238 609 S HA 0.383 4.850 4.470 -0.005 0.000 0.635 609 S C 1.037 175.701 174.600 0.108 0.000 2.771 609 S CA 1.896 60.216 58.200 0.200 0.000 2.973 609 S CB -0.844 62.547 63.200 0.318 0.000 0.332 609 S HN 2.880 nan 8.310 nan 0.000 1.788 610 G N -0.195 108.550 108.800 -0.091 0.000 2.619 610 G HA2 0.526 4.483 3.960 -0.005 0.000 0.305 610 G HA3 0.526 4.483 3.960 -0.005 0.000 0.305 610 G C -0.098 174.010 174.900 -1.319 0.000 1.330 610 G CA 0.262 45.005 45.100 -0.595 0.000 0.789 610 G HN 1.025 nan 8.290 nan 0.000 0.487 611 K N -0.960 118.655 120.400 -1.308 0.000 2.366 611 K HA 0.224 4.541 4.320 -0.005 0.000 0.198 611 K C 0.492 176.726 176.600 -0.611 0.000 1.044 611 K CA 1.841 57.560 56.287 -0.946 0.000 0.973 611 K CB -0.004 32.220 32.500 -0.460 0.000 0.767 611 K HN 0.541 nan 8.250 nan 0.000 0.475 612 D N -1.280 118.681 120.400 -0.732 0.000 3.948 612 D HA -0.072 4.565 4.640 -0.005 0.000 0.338 612 D C 0.740 176.377 176.300 -1.105 0.000 1.541 612 D CA -0.483 52.930 54.000 -0.979 0.000 0.973 612 D CB -0.414 40.098 40.800 -0.479 0.000 1.449 612 D HN -0.004 nan 8.370 nan 0.000 0.624 613 Y N -0.290 119.560 120.300 -0.750 0.000 2.397 613 Y HA 0.500 5.046 4.550 -0.006 0.000 0.292 613 Y C 2.129 177.959 175.900 -0.116 0.000 1.115 613 Y CA 1.183 59.108 58.100 -0.290 0.000 1.208 613 Y CB -0.455 37.934 38.460 -0.119 0.000 1.046 613 Y HN 0.378 nan 8.280 nan 0.000 0.552 614 A N 1.706 123.897 122.820 -1.048 0.000 1.873 614 A HA 0.002 4.319 4.320 -0.005 0.000 0.215 614 A C 2.447 179.830 177.584 -0.336 0.000 1.186 614 A CA 1.655 53.215 52.037 -0.795 0.000 0.616 614 A CB -1.714 16.908 19.000 -0.629 0.000 0.823 614 A HN 0.633 nan 8.150 nan 0.000 0.442 615 G N -0.181 108.423 108.800 -0.328 0.000 2.513 615 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.219 615 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.219 615 G C 1.554 176.354 174.900 -0.166 0.000 1.160 615 G CA 1.494 46.447 45.100 -0.246 0.000 0.767 615 G HN 0.328 nan 8.290 nan 0.000 0.571 616 V N 0.329 120.130 119.914 -0.188 0.000 2.233 616 V HA -0.264 3.853 4.120 -0.005 0.000 0.252 616 V C 2.560 178.583 176.094 -0.117 0.000 1.063 616 V CA 2.364 64.579 62.300 -0.141 0.000 1.032 616 V CB -0.655 31.069 31.823 -0.165 0.000 0.645 616 V HN 0.356 nan 8.190 nan 0.000 0.446 617 F N 0.031 119.938 119.950 -0.072 0.000 2.113 617 F HA -0.131 4.393 4.527 -0.005 0.000 0.297 617 F C 2.722 178.521 175.800 -0.001 0.000 1.103 617 F CA 2.000 59.992 58.000 -0.015 0.000 1.248 617 F CB -0.634 38.344 39.000 -0.037 0.000 0.999 617 F HN 0.013 nan 8.300 nan 0.000 0.475 618 S N -0.791 114.997 115.700 0.147 0.000 2.470 618 S HA -0.101 4.366 4.470 -0.005 0.000 0.225 618 S C 1.448 176.081 174.600 0.055 0.000 1.006 618 S CA 0.604 58.855 58.200 0.085 0.000 0.934 618 S CB -0.242 62.977 63.200 0.032 0.000 0.778 618 S HN 0.256 nan 8.310 nan 0.000 0.517 619 D N 2.199 122.620 120.400 0.034 0.000 2.097 619 D HA -0.003 4.634 4.640 -0.005 0.000 0.195 619 D C 1.790 178.121 176.300 0.053 0.000 0.989 619 D CA 1.273 55.294 54.000 0.036 0.000 0.827 619 D CB -0.300 40.519 40.800 0.031 0.000 0.966 619 D HN 0.380 nan 8.370 nan 0.000 0.456 620 A N -0.619 122.242 122.820 0.068 0.000 2.252 620 A HA 0.423 4.740 4.320 -0.005 0.000 0.207 620 A C 1.517 179.170 177.584 0.116 0.000 1.194 620 A CA 0.994 53.085 52.037 0.089 0.000 0.809 620 A CB -0.451 18.602 19.000 0.088 0.000 0.814 620 A HN 0.288 nan 8.150 nan 0.000 0.482 621 G N -1.463 107.403 108.800 0.110 0.000 2.142 621 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.225 621 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.225 621 G C -0.127 174.854 174.900 0.135 0.000 1.015 621 G CA 0.294 45.459 45.100 0.109 0.000 0.716 621 G HN 0.450 nan 8.290 nan 0.000 0.508 622 L N -0.401 120.929 121.223 0.178 0.000 2.279 622 L HA 0.878 5.215 4.340 -0.005 0.000 0.262 622 L C 0.699 177.661 176.870 0.154 0.000 1.019 622 L CA -0.478 54.489 54.840 0.212 0.000 0.823 622 L CB 2.362 44.649 42.059 0.380 0.000 1.358 622 L HN 0.311 nan 8.230 nan 0.000 0.432 623 T N -1.808 112.804 114.554 0.097 0.000 3.418 623 T HA 0.317 4.664 4.350 -0.005 0.000 0.315 623 T C -0.573 174.084 174.700 -0.073 0.000 1.447 623 T CA -0.371 61.741 62.100 0.020 0.000 1.641 623 T CB -0.273 68.610 68.868 0.026 0.000 0.904 623 T HN 0.245 nan 8.240 nan 0.000 0.640 624 F N 3.031 122.750 119.950 -0.385 0.000 2.545 624 F HA 0.494 5.017 4.527 -0.006 0.000 0.348 624 F C 0.312 175.929 175.800 -0.305 0.000 1.163 624 F CA 1.077 58.731 58.000 -0.576 0.000 1.331 624 F CB 0.581 38.789 39.000 -1.320 0.000 1.138 624 F HN 0.655 nan 8.300 nan 0.000 0.602 625 T N 1.926 115.930 114.554 -0.916 0.000 2.733 625 T HA 0.566 4.913 4.350 -0.005 0.000 0.312 625 T C -1.182 173.156 174.700 -0.602 0.000 1.590 625 T CA -0.662 61.157 62.100 -0.469 0.000 1.005 625 T CB 1.252 69.982 68.868 -0.231 0.000 1.528 625 T HN 0.807 nan 8.240 nan 0.000 0.496 626 S N -0.695 114.847 115.700 -0.264 0.000 2.611 626 S HA 0.585 5.052 4.470 -0.005 0.000 0.268 626 S C 0.743 175.280 174.600 -0.105 0.000 1.156 626 S CA -0.116 57.967 58.200 -0.196 0.000 0.817 626 S CB 1.086 64.223 63.200 -0.105 0.000 1.122 626 S HN 1.167 nan 8.310 nan 0.000 0.466 627 S N 0.403 116.050 115.700 -0.089 0.000 2.561 627 S HA 0.062 4.529 4.470 -0.005 0.000 0.225 627 S C 1.217 175.804 174.600 -0.022 0.000 0.977 627 S CA 0.797 58.973 58.200 -0.041 0.000 0.926 627 S CB -0.563 62.649 63.200 0.020 0.000 0.769 627 S HN 0.603 nan 8.310 nan 0.000 0.533 628 S N 0.489 116.174 115.700 -0.026 0.000 2.470 628 S HA 0.468 4.935 4.470 -0.005 0.000 0.222 628 S C 1.628 176.224 174.600 -0.008 0.000 1.024 628 S CA 0.486 58.676 58.200 -0.018 0.000 0.931 628 S CB 0.264 63.450 63.200 -0.023 0.000 0.791 628 S HN 0.893 nan 8.310 nan 0.000 0.513 629 G N 0.716 109.517 108.800 0.002 0.000 2.255 629 G HA2 -0.169 3.788 3.960 -0.005 0.000 0.196 629 G HA3 -0.169 3.788 3.960 -0.005 0.000 0.196 629 G C -0.199 174.732 174.900 0.051 0.000 0.998 629 G CA -0.669 44.439 45.100 0.013 0.000 0.656 629 G HN 0.406 nan 8.290 nan 0.000 0.490 630 Q N 1.411 121.265 119.800 0.089 0.000 2.281 630 Q HA 0.544 4.881 4.340 -0.005 0.000 0.267 630 Q C 0.420 176.601 176.000 0.301 0.000 1.053 630 Q CA 0.801 56.724 55.803 0.200 0.000 0.905 630 Q CB 0.624 29.453 28.738 0.151 0.000 1.195 630 Q HN 0.826 nan 8.270 nan 0.000 0.398 631 Q N -0.302 119.652 119.800 0.256 0.000 2.687 631 Q HA 0.567 4.904 4.340 -0.005 0.000 0.295 631 Q C -0.999 175.008 176.000 0.011 0.000 0.920 631 Q CA -1.125 54.775 55.803 0.162 0.000 0.766 631 Q CB 0.671 29.433 28.738 0.041 0.000 1.467 631 Q HN 0.504 nan 8.270 nan 0.000 0.415 632 T N -1.099 113.431 114.554 -0.039 0.000 2.813 632 T HA 0.642 4.989 4.350 -0.005 0.000 0.297 632 T C 0.440 175.105 174.700 -0.057 0.000 1.036 632 T CA -0.127 61.919 62.100 -0.089 0.000 1.044 632 T CB 0.788 69.628 68.868 -0.047 0.000 0.993 632 T HN 0.769 nan 8.240 nan 0.000 0.535 633 A N 1.519 124.303 122.820 -0.060 0.000 2.286 633 A HA 0.511 4.828 4.320 -0.005 0.000 0.286 633 A C 0.455 178.029 177.584 -0.017 0.000 1.097 633 A CA -0.907 51.108 52.037 -0.037 0.000 0.821 633 A CB 0.159 19.135 19.000 -0.040 0.000 1.076 633 A HN 0.808 nan 8.150 nan 0.000 0.490 634 Q N 0.258 120.051 119.800 -0.010 0.000 2.333 634 Q HA 0.022 4.359 4.340 -0.005 0.000 0.299 634 Q C 0.057 176.083 176.000 0.044 0.000 1.067 634 Q CA 0.567 56.378 55.803 0.013 0.000 0.943 634 Q CB 0.234 28.974 28.738 0.004 0.000 1.233 634 Q HN 0.621 nan 8.270 nan 0.000 0.401 635 R N 1.261 121.808 120.500 0.079 0.000 2.230 635 R HA 0.387 4.724 4.340 -0.005 0.000 0.337 635 R C 0.584 176.954 176.300 0.117 0.000 1.063 635 R CA 0.158 56.305 56.100 0.079 0.000 0.935 635 R CB 0.236 30.576 30.300 0.067 0.000 1.121 635 R HN 0.716 nan 8.270 nan 0.000 0.486 636 A N 3.767 126.644 122.820 0.095 0.000 1.840 636 A HA -0.054 4.263 4.320 -0.005 0.000 0.214 636 A C 0.574 178.195 177.584 0.060 0.000 1.198 636 A CA 0.860 52.963 52.037 0.111 0.000 0.608 636 A CB -0.224 18.825 19.000 0.081 0.000 0.839 636 A HN 0.648 nan 8.150 nan 0.000 0.443 637 E N -0.462 119.759 120.200 0.035 0.000 2.227 637 E HA 0.489 4.836 4.350 -0.005 0.000 0.282 637 E C 0.664 177.263 176.600 -0.001 0.000 1.015 637 E CA -0.196 56.212 56.400 0.012 0.000 0.823 637 E CB 0.840 30.549 29.700 0.014 0.000 1.081 637 E HN 0.309 nan 8.360 nan 0.000 0.396 638 L N 2.177 123.389 121.223 -0.020 0.000 2.093 638 L HA -0.081 4.256 4.340 -0.005 0.000 0.208 638 L C 1.005 177.870 176.870 -0.009 0.000 1.085 638 L CA 0.898 55.724 54.840 -0.025 0.000 0.755 638 L CB -0.179 41.856 42.059 -0.039 0.000 0.904 638 L HN 0.524 nan 8.230 nan 0.000 0.435 639 Q N -0.999 118.797 119.800 -0.006 0.000 2.260 639 Q HA 0.214 4.551 4.340 -0.005 0.000 0.242 639 Q C -0.695 175.307 176.000 0.003 0.000 0.932 639 Q CA -0.233 55.569 55.803 -0.002 0.000 0.891 639 Q CB 1.419 30.153 28.738 -0.006 0.000 1.222 639 Q HN 0.158 nan 8.270 nan 0.000 0.453 640 c N 4.926 123.527 118.600 0.003 0.000 2.632 640 c HA 0.267 4.834 4.570 -0.005 0.000 0.415 640 c C -1.822 172.269 174.090 0.002 0.000 1.332 640 c CA -1.071 55.260 56.329 0.002 0.000 1.874 640 c CB -0.510 41.997 42.510 -0.006 0.000 2.596 640 c HN 0.636 nan 8.230 nan 0.000 0.590 641 P HA 0.332 nan 4.420 nan 0.000 0.279 641 P C -0.681 176.624 177.300 0.007 0.000 1.318 641 P CA 0.281 63.386 63.100 0.008 0.000 0.819 641 P CB 0.851 32.560 31.700 0.014 0.000 0.927 642 Q N 0.000 119.802 119.800 0.004 0.000 2.315 642 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 642 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 642 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481