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 2i07_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA XXXXXXXXXR 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 SRKVLLDGVX XXRAEDLVGK 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 0.000 174.537 174.600 -0.104 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 2 P HA 0.248 nan 4.420 nan 0.000 0.267 2 P C -0.540 176.483 177.300 -0.462 0.000 1.205 2 P CA -0.119 62.785 63.100 -0.326 0.000 0.765 2 P CB 0.381 31.843 31.700 -0.397 0.000 0.828 3 M N 4.282 123.625 119.600 -0.428 0.000 2.078 3 M HA 0.298 4.768 4.480 -0.016 0.000 0.320 3 M C -1.475 174.553 176.300 -0.453 0.000 0.969 3 M CA -0.750 54.353 55.300 -0.329 0.000 0.929 3 M CB 0.664 33.229 32.600 -0.059 0.000 1.504 3 M HN 0.276 nan 8.290 nan 0.000 0.419 4 Y N 2.335 122.436 120.300 -0.332 0.000 2.313 4 Y HA 0.436 4.978 4.550 -0.014 0.000 0.332 4 Y C 0.740 176.324 175.900 -0.527 0.000 1.071 4 Y CA -0.262 57.413 58.100 -0.707 0.000 1.169 4 Y CB 1.113 38.632 38.460 -1.568 0.000 1.192 4 Y HN 0.644 nan 8.280 nan 0.000 0.487 5 S N 3.047 118.599 115.700 -0.246 0.000 2.638 5 S HA 0.837 5.297 4.470 -0.016 0.000 0.302 5 S C -1.401 173.141 174.600 -0.097 0.000 1.096 5 S CA -0.683 57.366 58.200 -0.252 0.000 0.953 5 S CB 2.126 65.215 63.200 -0.185 0.000 1.107 5 S HN 0.536 nan 8.310 nan 0.000 0.503 6 I N 0.795 121.223 120.570 -0.238 0.000 2.607 6 I HA 0.629 4.790 4.170 -0.016 0.000 0.290 6 I C -1.910 174.147 176.117 -0.101 0.000 1.129 6 I CA -1.277 59.994 61.300 -0.047 0.000 1.042 6 I CB 1.583 39.602 38.000 0.032 0.000 1.242 6 I HN 0.863 nan 8.210 nan 0.000 0.421 7 I N 6.982 127.588 120.570 0.060 0.000 2.466 7 I HA 0.629 4.789 4.170 -0.016 0.000 0.289 7 I C -0.224 175.975 176.117 0.137 0.000 1.026 7 I CA -0.285 61.081 61.300 0.111 0.000 1.078 7 I CB 2.134 40.298 38.000 0.274 0.000 1.249 7 I HN 0.713 nan 8.210 nan 0.000 0.429 8 T N 2.795 117.420 114.554 0.118 0.000 2.804 8 T HA 0.676 5.017 4.350 -0.016 0.000 0.290 8 T C -3.032 171.737 174.700 0.116 0.000 1.099 8 T CA -2.414 59.764 62.100 0.131 0.000 1.011 8 T CB 2.015 70.973 68.868 0.150 0.000 1.291 8 T HN 0.113 nan 8.240 nan 0.000 0.523 9 P HA 0.382 nan 4.420 nan 0.000 0.278 9 P C 0.544 177.880 177.300 0.060 0.000 1.238 9 P CA -0.444 62.698 63.100 0.070 0.000 0.794 9 P CB 0.390 32.104 31.700 0.024 0.000 0.955 10 N N 0.885 119.621 118.700 0.061 0.000 2.069 10 N HA -0.157 4.573 4.740 -0.016 0.000 0.196 10 N C 0.120 175.645 175.510 0.026 0.000 1.024 10 N CA 1.057 54.136 53.050 0.049 0.000 0.869 10 N CB -0.165 38.350 38.487 0.045 0.000 1.035 10 N HN 0.416 nan 8.380 nan 0.000 0.434 11 I N 1.505 122.074 120.570 -0.002 0.000 2.410 11 I HA 0.241 4.401 4.170 -0.016 0.000 0.286 11 I C -0.637 175.443 176.117 -0.061 0.000 1.009 11 I CA -0.470 60.806 61.300 -0.040 0.000 1.111 11 I CB 1.891 39.856 38.000 -0.059 0.000 1.262 11 I HN -0.012 nan 8.210 nan 0.000 0.443 12 L N 6.245 127.438 121.223 -0.049 0.000 2.399 12 L HA 0.531 4.862 4.340 -0.016 0.000 0.266 12 L C 0.121 176.928 176.870 -0.106 0.000 1.114 12 L CA -0.563 54.242 54.840 -0.058 0.000 0.804 12 L CB 0.870 42.946 42.059 0.029 0.000 1.146 12 L HN 0.578 nan 8.230 nan 0.000 0.451 13 R N 1.355 121.770 120.500 -0.142 0.000 2.854 13 R HA 0.675 5.005 4.340 -0.016 0.000 0.271 13 R C -1.346 174.895 176.300 -0.099 0.000 0.994 13 R CA -0.875 55.130 56.100 -0.159 0.000 0.945 13 R CB 1.811 31.923 30.300 -0.313 0.000 1.194 13 R HN 0.403 nan 8.270 nan 0.000 0.476 14 L N 1.774 122.960 121.223 -0.062 0.000 2.307 14 L HA 0.330 4.660 4.340 -0.016 0.000 0.282 14 L C 0.044 176.885 176.870 -0.048 0.000 1.051 14 L CA -0.110 54.705 54.840 -0.041 0.000 0.804 14 L CB 1.060 43.103 42.059 -0.028 0.000 1.197 14 L HN 0.757 nan 8.230 nan 0.000 0.431 15 E N 0.480 120.652 120.200 -0.046 0.000 2.553 15 E HA -0.175 4.165 4.350 -0.016 0.000 0.264 15 E C -0.543 176.022 176.600 -0.058 0.000 1.068 15 E CA 0.613 56.982 56.400 -0.051 0.000 0.774 15 E CB -1.137 28.524 29.700 -0.064 0.000 1.349 15 E HN 0.692 nan 8.360 nan 0.000 0.404 16 S N -0.847 114.806 115.700 -0.078 0.000 2.546 16 S HA 0.410 4.870 4.470 -0.016 0.000 0.274 16 S C -0.496 174.010 174.600 -0.157 0.000 1.121 16 S CA -1.091 57.052 58.200 -0.094 0.000 0.887 16 S CB 1.965 65.112 63.200 -0.087 0.000 1.094 16 S HN 0.157 nan 8.310 nan 0.000 0.474 17 E N 2.103 122.215 120.200 -0.147 0.000 1.865 17 E HA 0.127 4.467 4.350 -0.016 0.000 0.269 17 E C -0.387 176.041 176.600 -0.285 0.000 1.177 17 E CA -0.185 56.093 56.400 -0.203 0.000 0.932 17 E CB 0.295 29.925 29.700 -0.117 0.000 1.066 17 E HN 0.453 nan 8.360 nan 0.000 0.405 18 E N 2.038 121.929 120.200 -0.515 0.000 2.289 18 E HA 0.117 4.457 4.350 -0.016 0.000 0.278 18 E C -0.113 176.166 176.600 -0.536 0.000 1.032 18 E CA -0.015 56.061 56.400 -0.540 0.000 0.854 18 E CB 1.285 30.592 29.700 -0.655 0.000 1.046 18 E HN 0.228 nan 8.360 nan 0.000 0.409 19 T N 2.497 116.926 114.554 -0.208 0.000 2.922 19 T HA 0.529 4.869 4.350 -0.016 0.000 0.285 19 T C 0.350 175.101 174.700 0.084 0.000 1.005 19 T CA -0.536 61.535 62.100 -0.047 0.000 1.061 19 T CB 0.882 69.743 68.868 -0.011 0.000 1.007 19 T HN 0.381 nan 8.240 nan 0.000 0.502 20 M N 2.507 122.210 119.600 0.170 0.000 2.267 20 M HA 0.517 4.988 4.480 -0.016 0.000 0.289 20 M C -1.827 174.557 176.300 0.140 0.000 1.043 20 M CA -0.740 54.682 55.300 0.203 0.000 0.928 20 M CB 1.394 34.173 32.600 0.298 0.000 1.613 20 M HN 0.338 nan 8.290 nan 0.000 0.450 21 V N 6.520 126.519 119.914 0.143 0.000 2.385 21 V HA 0.386 4.496 4.120 -0.016 0.000 0.269 21 V C -0.337 175.851 176.094 0.157 0.000 1.043 21 V CA -0.407 61.979 62.300 0.144 0.000 0.906 21 V CB 0.862 32.794 31.823 0.183 0.000 0.995 21 V HN 0.777 nan 8.190 nan 0.000 0.467 22 L N 5.480 126.791 121.223 0.145 0.000 2.317 22 L HA 0.700 5.030 4.340 -0.016 0.000 0.281 22 L C -0.012 176.988 176.870 0.217 0.000 1.024 22 L CA -0.278 54.687 54.840 0.208 0.000 0.810 22 L CB 1.579 43.717 42.059 0.133 0.000 1.240 22 L HN 0.588 nan 8.230 nan 0.000 0.427 23 E N 1.542 121.896 120.200 0.256 0.000 2.383 23 E HA 0.765 5.105 4.350 -0.016 0.000 0.275 23 E C -1.373 175.196 176.600 -0.051 0.000 0.918 23 E CA -0.937 55.497 56.400 0.056 0.000 0.764 23 E CB 2.718 32.396 29.700 -0.037 0.000 1.252 23 E HN 0.622 nan 8.360 nan 0.000 0.449 24 A N 2.716 125.430 122.820 -0.177 0.000 2.457 24 A HA 0.420 4.730 4.320 -0.016 0.000 0.283 24 A C -1.327 176.015 177.584 -0.404 0.000 1.166 24 A CA -0.723 51.151 52.037 -0.273 0.000 0.740 24 A CB 0.518 19.512 19.000 -0.011 0.000 1.181 24 A HN 0.547 nan 8.150 nan 0.000 0.446 25 H N 1.880 120.864 119.070 -0.143 0.000 2.502 25 H HA 0.258 4.805 4.556 -0.015 0.000 0.327 25 H C -0.460 174.783 175.328 -0.141 0.000 1.099 25 H CA 0.306 56.335 56.048 -0.031 0.000 1.323 25 H CB 1.147 30.940 29.762 0.053 0.000 1.450 25 H HN 0.809 nan 8.280 nan 0.000 0.502 26 D N -0.176 120.254 120.400 0.050 0.000 2.870 26 D HA -0.148 4.482 4.640 -0.016 0.000 0.228 26 D C 0.237 176.459 176.300 -0.129 0.000 1.147 26 D CA 0.847 54.834 54.000 -0.021 0.000 0.757 26 D CB -1.300 39.488 40.800 -0.020 0.000 1.091 26 D HN 0.691 nan 8.370 nan 0.000 0.429 27 A N -0.281 122.371 122.820 -0.281 0.000 2.279 27 A HA 0.587 4.897 4.320 -0.016 0.000 0.303 27 A C 0.472 177.919 177.584 -0.229 0.000 1.108 27 A CA -0.328 51.484 52.037 -0.375 0.000 0.830 27 A CB 1.332 19.927 19.000 -0.675 0.000 1.106 27 A HN 0.005 nan 8.150 nan 0.000 0.493 28 Q N -0.366 119.394 119.800 -0.066 0.000 2.399 28 Q HA 0.571 4.901 4.340 -0.016 0.000 0.276 28 Q C 0.553 176.640 176.000 0.146 0.000 1.098 28 Q CA 0.344 56.190 55.803 0.071 0.000 0.827 28 Q CB 1.633 30.400 28.738 0.049 0.000 1.386 28 Q HN 1.794 nan 8.270 nan 0.000 0.443 29 G N 2.191 111.088 108.800 0.162 0.000 2.622 29 G HA2 -0.256 3.695 3.960 -0.016 0.000 0.272 29 G HA3 -0.256 3.695 3.960 -0.016 0.000 0.272 29 G C -0.633 174.383 174.900 0.194 0.000 1.308 29 G CA -0.053 45.130 45.100 0.138 0.000 0.919 29 G HN 0.589 nan 8.290 nan 0.000 0.565 30 D N -0.864 119.610 120.400 0.123 0.000 2.329 30 D HA 0.507 5.137 4.640 -0.016 0.000 0.246 30 D C 0.298 176.685 176.300 0.145 0.000 1.111 30 D CA 0.566 54.637 54.000 0.117 0.000 0.941 30 D CB 1.754 42.589 40.800 0.059 0.000 1.169 30 D HN 1.025 nan 8.370 nan 0.000 0.441 31 V N 1.663 121.668 119.914 0.153 0.000 2.532 31 V HA 0.381 4.492 4.120 -0.016 0.000 0.294 31 V C -2.819 173.320 176.094 0.075 0.000 1.036 31 V CA -1.949 60.437 62.300 0.144 0.000 0.876 31 V CB 2.320 34.293 31.823 0.249 0.000 1.012 31 V HN 0.369 nan 8.190 nan 0.000 0.432 32 P HA 0.274 nan 4.420 nan 0.000 0.276 32 P C -0.759 176.473 177.300 -0.114 0.000 1.253 32 P CA 0.113 63.190 63.100 -0.037 0.000 0.766 32 P CB 1.505 33.184 31.700 -0.035 0.000 0.845 33 V N 4.393 124.210 119.914 -0.162 0.000 2.448 33 V HA 0.443 4.553 4.120 -0.016 0.000 0.295 33 V C 0.557 176.494 176.094 -0.261 0.000 1.025 33 V CA -0.308 61.797 62.300 -0.325 0.000 0.859 33 V CB 1.868 33.460 31.823 -0.385 0.000 0.988 33 V HN 0.699 nan 8.190 nan 0.000 0.431 34 T N 2.232 116.613 114.554 -0.289 0.000 2.792 34 T HA 0.774 5.115 4.350 -0.016 0.000 0.280 34 T C -0.806 173.751 174.700 -0.238 0.000 0.990 34 T CA -0.652 61.322 62.100 -0.210 0.000 0.960 34 T CB 1.554 70.331 68.868 -0.151 0.000 0.939 34 T HN 0.268 nan 8.240 nan 0.000 0.439 35 V N 3.709 123.496 119.914 -0.212 0.000 2.513 35 V HA 0.705 4.815 4.120 -0.016 0.000 0.299 35 V C 0.129 176.078 176.094 -0.243 0.000 1.035 35 V CA -0.551 61.605 62.300 -0.240 0.000 0.889 35 V CB 1.900 33.570 31.823 -0.256 0.000 0.988 35 V HN 1.177 nan 8.190 nan 0.000 0.440 36 T N 3.394 117.796 114.554 -0.253 0.000 2.893 36 T HA 0.652 4.992 4.350 -0.016 0.000 0.293 36 T C -0.820 173.678 174.700 -0.337 0.000 1.027 36 T CA -0.531 61.398 62.100 -0.286 0.000 0.988 36 T CB 1.958 70.705 68.868 -0.201 0.000 1.043 36 T HN 0.344 nan 8.240 nan 0.000 0.461 37 V N 2.927 122.594 119.914 -0.412 0.000 2.444 37 V HA 0.502 4.612 4.120 -0.016 0.000 0.294 37 V C -0.878 175.004 176.094 -0.353 0.000 1.022 37 V CA -0.855 61.263 62.300 -0.304 0.000 0.850 37 V CB 1.214 32.887 31.823 -0.251 0.000 0.992 37 V HN 0.907 nan 8.190 nan 0.000 0.426 38 H N 1.817 120.888 119.070 0.001 0.000 2.621 38 H HA 0.516 5.062 4.556 -0.016 0.000 0.360 38 H C -0.504 174.874 175.328 0.083 0.000 1.163 38 H CA -0.854 55.214 56.048 0.033 0.000 1.194 38 H CB 1.427 31.209 29.762 0.033 0.000 1.649 38 H HN 0.803 nan 8.280 nan 0.000 0.532 39 D N 1.293 121.816 120.400 0.206 0.000 2.382 39 D HA -0.003 4.627 4.640 -0.016 0.000 0.240 39 D C -0.527 175.912 176.300 0.232 0.000 1.146 39 D CA -0.163 53.949 54.000 0.186 0.000 0.897 39 D CB 0.761 41.632 40.800 0.119 0.000 1.197 39 D HN 0.241 nan 8.370 nan 0.000 0.432 40 F N 0.852 120.870 119.950 0.112 0.000 2.469 40 F HA 0.487 5.004 4.527 -0.016 0.000 0.332 40 F C -2.344 173.504 175.800 0.080 0.000 1.103 40 F CA -1.849 56.208 58.000 0.094 0.000 0.979 40 F CB 1.488 40.560 39.000 0.120 0.000 1.137 40 F HN 0.199 nan 8.300 nan 0.000 0.463 41 P HA 0.791 nan 4.420 nan 0.000 0.283 41 P C -0.267 176.780 177.300 -0.421 0.000 1.278 41 P CA -0.132 62.278 63.100 -1.150 0.000 0.834 41 P CB 1.371 32.257 31.700 -1.357 0.000 1.150 42 G N 0.042 108.649 108.800 -0.323 0.000 2.428 42 G HA2 -0.015 3.935 3.960 -0.016 0.000 0.202 42 G HA3 -0.015 3.935 3.960 -0.016 0.000 0.202 42 G C -1.551 173.274 174.900 -0.126 0.000 1.247 42 G CA -0.793 44.199 45.100 -0.180 0.000 1.020 42 G HN 0.663 nan 8.290 nan 0.000 0.529 43 K N 0.025 120.376 120.400 -0.083 0.000 2.507 43 K HA 0.639 4.950 4.320 -0.016 0.000 0.252 43 K C 0.036 176.667 176.600 0.052 0.000 0.943 43 K CA -0.654 55.608 56.287 -0.041 0.000 0.808 43 K CB 2.373 34.806 32.500 -0.112 0.000 1.142 43 K HN 0.530 nan 8.250 nan 0.000 0.426 44 K N 2.213 122.701 120.400 0.147 0.000 2.608 44 K HA 0.134 4.444 4.320 -0.016 0.000 0.214 44 K C -0.692 175.968 176.600 0.101 0.000 1.469 44 K CA -0.156 56.188 56.287 0.096 0.000 1.012 44 K CB 0.620 33.157 32.500 0.062 0.000 1.211 44 K HN 0.513 nan 8.250 nan 0.000 0.627 45 L N 1.206 122.533 121.223 0.174 0.000 3.423 45 L HA -0.187 4.143 4.340 -0.016 0.000 0.671 45 L C 0.299 177.128 176.870 -0.067 0.000 1.083 45 L CA 0.288 55.106 54.840 -0.036 0.000 1.201 45 L CB -0.686 41.376 42.059 0.005 0.000 1.578 45 L HN 0.097 nan 8.230 nan 0.000 0.839 46 V N 1.559 121.418 119.914 -0.092 0.000 2.535 46 V HA 0.182 4.293 4.120 -0.016 0.000 0.246 46 V C 0.919 176.981 176.094 -0.054 0.000 1.045 46 V CA 1.204 63.480 62.300 -0.041 0.000 1.058 46 V CB -0.078 31.746 31.823 0.001 0.000 0.689 46 V HN 0.633 nan 8.190 nan 0.000 0.461 47 L N 1.040 122.190 121.223 -0.122 0.000 2.518 47 L HA 0.473 4.803 4.340 -0.016 0.000 0.262 47 L C 1.010 177.773 176.870 -0.179 0.000 0.982 47 L CA 0.319 55.095 54.840 -0.106 0.000 0.873 47 L CB 1.872 43.907 42.059 -0.040 0.000 1.198 47 L HN 0.196 nan 8.230 nan 0.000 0.427 48 S N 0.631 116.250 115.700 -0.135 0.000 2.425 48 S HA 0.004 4.464 4.470 -0.016 0.000 0.225 48 S C 1.079 175.616 174.600 -0.106 0.000 1.024 48 S CA 0.458 58.578 58.200 -0.133 0.000 0.951 48 S CB -0.304 62.843 63.200 -0.088 0.000 0.796 48 S HN 0.748 nan 8.310 nan 0.000 0.498 49 S N 1.576 117.232 115.700 -0.072 0.000 2.731 49 S HA 0.143 4.603 4.470 -0.016 0.000 0.249 49 S C -0.160 174.401 174.600 -0.064 0.000 1.390 49 S CA -0.130 58.039 58.200 -0.050 0.000 0.964 49 S CB -0.364 62.824 63.200 -0.020 0.000 0.965 49 S HN 0.493 nan 8.310 nan 0.000 0.579 50 E N -0.630 119.546 120.200 -0.040 0.000 3.726 50 E HA -0.129 4.212 4.350 -0.016 0.000 0.165 50 E C -0.796 175.758 176.600 -0.077 0.000 1.525 50 E CA 0.900 57.275 56.400 -0.041 0.000 0.867 50 E CB -1.946 27.736 29.700 -0.030 0.000 1.077 50 E HN 0.881 nan 8.360 nan 0.000 0.378 51 K N -0.413 119.948 120.400 -0.065 0.000 2.324 51 K HA 0.812 5.122 4.320 -0.016 0.000 0.253 51 K C -0.325 176.237 176.600 -0.064 0.000 0.932 51 K CA -0.700 55.538 56.287 -0.081 0.000 0.799 51 K CB 2.920 35.375 32.500 -0.075 0.000 1.154 51 K HN 0.114 nan 8.250 nan 0.000 0.425 52 T N 0.994 115.503 114.554 -0.076 0.000 2.787 52 T HA 0.483 4.823 4.350 -0.016 0.000 0.297 52 T C -1.688 172.982 174.700 -0.050 0.000 1.221 52 T CA -0.687 61.382 62.100 -0.051 0.000 1.006 52 T CB 1.670 70.515 68.868 -0.039 0.000 1.328 52 T HN 0.378 nan 8.240 nan 0.000 0.509 53 V N 3.425 123.324 119.914 -0.025 0.000 2.444 53 V HA 0.488 4.599 4.120 -0.016 0.000 0.294 53 V C -0.207 175.895 176.094 0.013 0.000 1.022 53 V CA -0.877 61.419 62.300 -0.005 0.000 0.850 53 V CB 1.425 33.246 31.823 -0.003 0.000 0.992 53 V HN 0.700 nan 8.190 nan 0.000 0.426 54 L N 4.126 125.384 121.223 0.058 0.000 2.367 54 L HA 0.476 4.806 4.340 -0.016 0.000 0.275 54 L C 0.370 177.256 176.870 0.027 0.000 1.129 54 L CA 0.243 55.132 54.840 0.081 0.000 0.839 54 L CB 0.831 43.018 42.059 0.213 0.000 1.133 54 L HN 0.592 nan 8.230 nan 0.000 0.453 55 T N 3.530 118.012 114.554 -0.119 0.000 2.856 55 T HA 0.267 4.607 4.350 -0.016 0.000 0.283 55 T C -1.787 172.609 174.700 -0.506 0.000 1.008 55 T CA -1.243 60.731 62.100 -0.211 0.000 0.997 55 T CB 2.234 71.033 68.868 -0.115 0.000 0.992 55 T HN 0.323 nan 8.240 nan 0.000 0.454 56 P HA -0.141 nan 4.420 nan 0.000 0.217 56 P C 1.183 178.325 177.300 -0.264 0.000 1.148 56 P CA 0.831 63.639 63.100 -0.486 0.000 0.834 56 P CB 0.067 31.688 31.700 -0.132 0.000 0.783 57 A N -1.010 121.702 122.820 -0.181 0.000 2.168 57 A HA -0.062 4.248 4.320 -0.016 0.000 0.215 57 A C 1.863 179.381 177.584 -0.110 0.000 1.152 57 A CA 1.779 53.751 52.037 -0.108 0.000 0.716 57 A CB -1.337 17.620 19.000 -0.071 0.000 0.794 57 A HN 0.338 nan 8.150 nan 0.000 0.465 58 T N -4.067 110.393 114.554 -0.158 0.000 3.129 58 T HA 0.155 4.495 4.350 -0.016 0.000 0.267 58 T C 0.403 175.012 174.700 -0.151 0.000 1.018 58 T CA 0.333 62.358 62.100 -0.125 0.000 0.903 58 T CB -0.448 68.361 68.868 -0.098 0.000 1.067 58 T HN 0.363 nan 8.240 nan 0.000 0.549 59 N N 2.556 121.145 118.700 -0.185 0.000 2.713 59 N HA -0.217 4.513 4.740 -0.016 0.000 0.251 59 N C -0.181 175.307 175.510 -0.037 0.000 1.117 59 N CA 1.532 54.498 53.050 -0.140 0.000 0.770 59 N CB -1.894 36.452 38.487 -0.235 0.000 1.137 59 N HN 0.826 nan 8.380 nan 0.000 0.566 60 H N -3.627 115.402 119.070 -0.069 0.000 2.999 60 H HA -0.150 4.396 4.556 -0.016 0.000 0.262 60 H C -0.015 175.286 175.328 -0.043 0.000 1.240 60 H CA 1.148 57.175 56.048 -0.034 0.000 1.115 60 H CB -1.561 28.186 29.762 -0.024 0.000 1.274 60 H HN 0.373 nan 8.280 nan 0.000 0.358 61 M N 1.217 120.818 119.600 0.001 0.000 2.061 61 M HA 0.401 4.872 4.480 -0.016 0.000 0.346 61 M C 1.042 177.352 176.300 0.018 0.000 1.112 61 M CA 0.182 55.486 55.300 0.007 0.000 1.021 61 M CB 1.461 34.038 32.600 -0.039 0.000 1.530 61 M HN 0.362 nan 8.290 nan 0.000 0.437 62 G N 2.573 111.405 108.800 0.052 0.000 2.887 62 G HA2 0.592 4.543 3.960 -0.016 0.000 0.277 62 G HA3 0.592 4.543 3.960 -0.016 0.000 0.277 62 G C -1.367 173.557 174.900 0.041 0.000 1.346 62 G CA -0.463 44.660 45.100 0.037 0.000 1.058 62 G HN 0.630 nan 8.290 nan 0.000 0.535 63 N N -1.424 117.294 118.700 0.030 0.000 2.600 63 N HA 0.375 5.105 4.740 -0.016 0.000 0.272 63 N C -1.235 174.298 175.510 0.038 0.000 1.095 63 N CA -0.532 52.543 53.050 0.040 0.000 0.993 63 N CB 1.878 40.384 38.487 0.031 0.000 1.603 63 N HN 0.664 nan 8.380 nan 0.000 0.526 64 V N 0.702 120.655 119.914 0.065 0.000 2.409 64 V HA 0.732 4.843 4.120 -0.016 0.000 0.291 64 V C 0.074 176.263 176.094 0.158 0.000 1.020 64 V CA -0.744 61.608 62.300 0.086 0.000 0.848 64 V CB 1.019 32.879 31.823 0.061 0.000 0.990 64 V HN 0.704 nan 8.190 nan 0.000 0.430 65 T N 3.389 118.008 114.554 0.109 0.000 2.738 65 T HA 0.753 5.093 4.350 -0.016 0.000 0.298 65 T C -0.610 174.161 174.700 0.118 0.000 0.962 65 T CA -0.322 61.818 62.100 0.067 0.000 0.972 65 T CB 0.346 69.219 68.868 0.009 0.000 0.928 65 T HN 0.981 nan 8.240 nan 0.000 0.474 66 F N -0.159 119.777 119.950 -0.024 0.000 2.593 66 F HA 0.884 5.401 4.527 -0.017 0.000 0.320 66 F C -0.701 175.082 175.800 -0.028 0.000 1.060 66 F CA -1.089 56.893 58.000 -0.030 0.000 0.940 66 F CB 1.505 40.482 39.000 -0.038 0.000 1.268 66 F HN 0.381 nan 8.300 nan 0.000 0.475 67 T N 2.950 117.569 114.554 0.109 0.000 2.876 67 T HA 0.586 4.927 4.350 -0.016 0.000 0.289 67 T C -0.655 174.114 174.700 0.115 0.000 1.014 67 T CA -0.490 61.612 62.100 0.003 0.000 0.986 67 T CB 1.581 70.444 68.868 -0.008 0.000 1.021 67 T HN 0.565 nan 8.240 nan 0.000 0.458 68 I N 4.310 124.916 120.570 0.060 0.000 2.359 68 I HA 0.309 4.469 4.170 -0.016 0.000 0.284 68 I C -2.381 173.753 176.117 0.028 0.000 1.018 68 I CA -2.446 58.902 61.300 0.081 0.000 1.173 68 I CB 1.588 39.649 38.000 0.102 0.000 1.326 68 I HN 0.287 nan 8.210 nan 0.000 0.462 69 P HA 0.374 nan 4.420 nan 0.000 0.272 69 P C -0.186 177.122 177.300 0.013 0.000 1.230 69 P CA 0.271 63.377 63.100 0.010 0.000 0.788 69 P CB 0.837 32.544 31.700 0.011 0.000 0.949 81 N N 1.482 120.214 118.700 0.053 0.000 4.287 81 N HA -0.115 4.615 4.740 -0.016 0.000 0.330 81 N C -1.352 174.156 175.510 -0.002 0.000 2.095 81 N CA 1.092 54.131 53.050 -0.017 0.000 2.979 81 N CB -0.126 38.363 38.487 0.004 0.000 0.324 81 N HN 0.220 nan 8.380 nan 0.000 0.781 82 K N 0.705 120.996 120.400 -0.181 0.000 2.221 82 K HA 0.752 5.062 4.320 -0.016 0.000 0.243 82 K C -0.696 175.692 176.600 -0.354 0.000 0.968 82 K CA -0.412 55.833 56.287 -0.071 0.000 0.846 82 K CB 1.242 33.735 32.500 -0.011 0.000 1.141 82 K HN 0.344 nan 8.250 nan 0.000 0.434 83 F N 0.308 120.317 119.950 0.098 0.000 2.599 83 F HA 0.387 4.904 4.527 -0.016 0.000 0.311 83 F C -0.387 175.489 175.800 0.127 0.000 1.076 83 F CA -1.071 56.970 58.000 0.068 0.000 0.937 83 F CB 1.803 40.789 39.000 -0.022 0.000 1.282 83 F HN 0.155 nan 8.300 nan 0.000 0.460 84 V N -1.511 118.561 119.914 0.263 0.000 2.919 84 V HA 0.759 4.869 4.120 -0.016 0.000 0.316 84 V C -0.562 175.643 176.094 0.185 0.000 1.077 84 V CA -0.729 61.701 62.300 0.217 0.000 0.977 84 V CB 1.581 33.487 31.823 0.138 0.000 1.039 84 V HN 0.739 nan 8.190 nan 0.000 0.441 85 T N 2.422 117.097 114.554 0.203 0.000 2.929 85 T HA 0.446 4.786 4.350 -0.016 0.000 0.331 85 T C -0.128 174.626 174.700 0.090 0.000 1.120 85 T CA -0.223 61.971 62.100 0.157 0.000 0.973 85 T CB 0.663 69.682 68.868 0.252 0.000 1.036 85 T HN 0.637 nan 8.240 nan 0.000 0.502 86 V N 4.276 124.205 119.914 0.025 0.000 2.521 86 V HA 0.191 4.301 4.120 -0.016 0.000 0.286 86 V C 0.388 176.463 176.094 -0.031 0.000 1.034 86 V CA -0.047 62.222 62.300 -0.051 0.000 1.045 86 V CB 0.834 32.629 31.823 -0.047 0.000 0.974 86 V HN 0.782 nan 8.190 nan 0.000 0.480 87 Q N 3.306 123.067 119.800 -0.064 0.000 2.353 87 Q HA 0.742 5.073 4.340 -0.016 0.000 0.268 87 Q C -0.852 175.093 176.000 -0.091 0.000 1.045 87 Q CA -0.640 55.145 55.803 -0.030 0.000 0.811 87 Q CB 2.011 30.772 28.738 0.039 0.000 1.305 87 Q HN 0.871 nan 8.270 nan 0.000 0.447 88 A N 2.848 125.629 122.820 -0.064 0.000 2.522 88 A HA 0.483 4.793 4.320 -0.016 0.000 0.285 88 A C -0.982 176.507 177.584 -0.159 0.000 1.198 88 A CA -0.549 51.391 52.037 -0.162 0.000 0.742 88 A CB 1.311 20.258 19.000 -0.088 0.000 1.176 88 A HN 0.618 nan 8.150 nan 0.000 0.444 89 T N 2.680 117.077 114.554 -0.261 0.000 2.733 89 T HA 0.458 4.798 4.350 -0.016 0.000 0.294 89 T C -0.618 173.863 174.700 -0.365 0.000 0.956 89 T CA 0.360 62.349 62.100 -0.184 0.000 0.987 89 T CB -0.327 68.466 68.868 -0.125 0.000 0.920 89 T HN 0.350 nan 8.240 nan 0.000 0.470 90 F N 3.142 122.905 119.950 -0.311 0.000 2.303 90 F HA 0.489 5.007 4.527 -0.015 0.000 0.368 90 F C 1.538 177.105 175.800 -0.388 0.000 1.105 90 F CA -0.251 57.474 58.000 -0.457 0.000 1.153 90 F CB 0.349 38.726 39.000 -1.038 0.000 1.362 90 F HN 0.895 nan 8.300 nan 0.000 0.511 91 G N 2.374 111.112 108.800 -0.103 0.000 3.879 91 G HA2 -0.387 3.564 3.960 -0.016 0.000 0.318 91 G HA3 -0.387 3.564 3.960 -0.016 0.000 0.318 91 G C 1.071 175.941 174.900 -0.051 0.000 1.344 91 G CA 0.889 45.955 45.100 -0.057 0.000 1.024 91 G HN 0.464 nan 8.290 nan 0.000 0.681 92 T N 0.607 115.136 114.554 -0.042 0.000 2.955 92 T HA 0.351 4.691 4.350 -0.016 0.000 0.251 92 T C 0.846 175.531 174.700 -0.023 0.000 1.002 92 T CA 1.049 63.134 62.100 -0.025 0.000 0.970 92 T CB 0.542 69.408 68.868 -0.004 0.000 1.091 92 T HN 0.579 nan 8.240 nan 0.000 0.495 93 Q N 2.657 122.431 119.800 -0.044 0.000 2.295 93 Q HA 0.430 4.760 4.340 -0.016 0.000 0.259 93 Q C -0.877 175.133 176.000 0.017 0.000 0.976 93 Q CA -0.159 55.630 55.803 -0.023 0.000 0.923 93 Q CB 0.979 29.689 28.738 -0.047 0.000 1.185 93 Q HN 0.178 nan 8.270 nan 0.000 0.410 94 V N 5.659 125.594 119.914 0.036 0.000 2.435 94 V HA 0.686 4.796 4.120 -0.016 0.000 0.290 94 V C -1.202 174.938 176.094 0.077 0.000 1.030 94 V CA -0.566 61.767 62.300 0.055 0.000 0.881 94 V CB 1.716 33.550 31.823 0.017 0.000 0.983 94 V HN 0.641 nan 8.190 nan 0.000 0.445 95 V N 7.625 127.614 119.914 0.125 0.000 2.487 95 V HA 0.608 4.719 4.120 -0.016 0.000 0.298 95 V C -0.282 175.846 176.094 0.057 0.000 1.028 95 V CA -0.515 61.841 62.300 0.093 0.000 0.860 95 V CB 1.724 33.622 31.823 0.126 0.000 0.991 95 V HN 1.008 nan 8.190 nan 0.000 0.427 96 E N 3.688 123.903 120.200 0.025 0.000 2.317 96 E HA 0.843 5.183 4.350 -0.016 0.000 0.270 96 E C -1.292 175.305 176.600 -0.005 0.000 0.885 96 E CA -1.321 55.087 56.400 0.015 0.000 0.760 96 E CB 3.282 32.998 29.700 0.027 0.000 1.227 96 E HN 0.403 nan 8.360 nan 0.000 0.434 97 K N 1.178 121.571 120.400 -0.011 0.000 2.535 97 K HA 0.299 4.609 4.320 -0.016 0.000 0.251 97 K C -1.856 174.724 176.600 -0.035 0.000 0.942 97 K CA -0.677 55.591 56.287 -0.032 0.000 0.798 97 K CB 2.273 34.752 32.500 -0.035 0.000 1.267 97 K HN 0.426 nan 8.250 nan 0.000 0.434 98 V N 4.508 124.367 119.914 -0.092 0.000 2.530 98 V HA 0.414 4.524 4.120 -0.016 0.000 0.282 98 V C -0.347 175.739 176.094 -0.012 0.000 1.048 98 V CA -0.430 61.791 62.300 -0.133 0.000 0.997 98 V CB 1.179 32.736 31.823 -0.443 0.000 0.987 98 V HN 0.558 nan 8.190 nan 0.000 0.477 99 V N 5.501 125.474 119.914 0.099 0.000 2.914 99 V HA 0.490 4.600 4.120 -0.016 0.000 0.314 99 V C -0.356 175.867 176.094 0.214 0.000 1.084 99 V CA -0.949 61.439 62.300 0.146 0.000 0.963 99 V CB 2.010 33.889 31.823 0.092 0.000 1.025 99 V HN 0.661 nan 8.190 nan 0.000 0.432 100 L N 3.390 124.668 121.223 0.092 0.000 2.371 100 L HA 0.620 4.951 4.340 -0.016 0.000 0.272 100 L C -0.406 176.336 176.870 -0.214 0.000 1.124 100 L CA 0.379 55.065 54.840 -0.257 0.000 0.816 100 L CB 1.408 43.352 42.059 -0.192 0.000 1.129 100 L HN 0.465 nan 8.230 nan 0.000 0.448 101 V N 4.358 124.083 119.914 -0.315 0.000 2.448 101 V HA 0.405 4.515 4.120 -0.016 0.000 0.295 101 V C 0.063 176.059 176.094 -0.163 0.000 1.025 101 V CA -0.545 61.652 62.300 -0.172 0.000 0.859 101 V CB 1.539 33.298 31.823 -0.107 0.000 0.988 101 V HN 0.885 nan 8.190 nan 0.000 0.431 102 S N 4.497 120.126 115.700 -0.119 0.000 2.523 102 S HA 0.338 4.798 4.470 -0.016 0.000 0.275 102 S C 0.970 175.543 174.600 -0.045 0.000 1.281 102 S CA -0.722 57.428 58.200 -0.082 0.000 1.050 102 S CB 0.643 63.797 63.200 -0.077 0.000 0.937 102 S HN 0.544 nan 8.310 nan 0.000 0.492 103 L N 3.688 124.898 121.223 -0.022 0.000 2.240 103 L HA 0.115 4.446 4.340 -0.016 0.000 0.211 103 L C 1.259 178.151 176.870 0.038 0.000 1.106 103 L CA 1.097 55.939 54.840 0.003 0.000 0.793 103 L CB -1.401 40.662 42.059 0.006 0.000 0.927 103 L HN 0.743 nan 8.230 nan 0.000 0.446 104 Q N 0.340 120.182 119.800 0.070 0.000 2.339 104 Q HA -0.071 4.259 4.340 -0.016 0.000 0.308 104 Q C 1.240 177.305 176.000 0.109 0.000 1.097 104 Q CA 0.015 55.886 55.803 0.115 0.000 1.007 104 Q CB 0.359 29.198 28.738 0.168 0.000 1.051 104 Q HN 0.176 nan 8.270 nan 0.000 0.381 105 S N 1.661 117.330 115.700 -0.052 0.000 2.461 105 S HA 0.059 4.519 4.470 -0.016 0.000 0.228 105 S C 0.830 175.140 174.600 -0.484 0.000 1.005 105 S CA 0.521 58.563 58.200 -0.262 0.000 0.942 105 S CB 0.245 63.038 63.200 -0.679 0.000 0.776 105 S HN 0.920 nan 8.310 nan 0.000 0.514 106 G N -0.342 108.048 108.800 -0.684 0.000 2.553 106 G HA2 0.277 4.228 3.960 -0.016 0.000 0.106 106 G HA3 0.277 4.228 3.960 -0.016 0.000 0.106 106 G C -1.911 172.511 174.900 -0.796 0.000 1.126 106 G CA -0.881 43.511 45.100 -1.181 0.000 1.075 106 G HN 0.193 nan 8.290 nan 0.000 0.472 107 Y N -0.393 119.749 120.300 -0.262 0.000 2.602 107 Y HA 0.836 5.376 4.550 -0.016 0.000 0.342 107 Y C 0.138 175.399 175.900 -1.065 0.000 1.029 107 Y CA -1.024 56.667 58.100 -0.682 0.000 1.080 107 Y CB 2.041 40.039 38.460 -0.770 0.000 1.284 107 Y HN 0.430 nan 8.280 nan 0.000 0.485 108 L N 2.332 122.373 121.223 -1.970 0.000 2.362 108 L HA 0.547 4.877 4.340 -0.016 0.000 0.275 108 L C -1.546 174.702 176.870 -1.036 0.000 0.998 108 L CA -0.590 53.498 54.840 -1.253 0.000 0.820 108 L CB 1.405 42.853 42.059 -1.018 0.000 1.270 108 L HN 0.469 nan 8.230 nan 0.000 0.415 109 F N 3.299 123.172 119.950 -0.128 0.000 2.495 109 F HA 0.583 5.100 4.527 -0.016 0.000 0.327 109 F C 0.161 176.035 175.800 0.124 0.000 1.103 109 F CA -0.597 57.442 58.000 0.066 0.000 0.949 109 F CB 1.617 40.716 39.000 0.164 0.000 1.142 109 F HN 0.146 nan 8.300 nan 0.000 0.457 110 I N 2.496 123.247 120.570 0.301 0.000 2.493 110 I HA 0.415 4.576 4.170 -0.016 0.000 0.298 110 I C -0.730 175.520 176.117 0.223 0.000 0.998 110 I CA -0.724 60.676 61.300 0.167 0.000 1.137 110 I CB 2.033 40.112 38.000 0.132 0.000 1.310 110 I HN 0.516 nan 8.210 nan 0.000 0.445 111 Q N 5.133 125.026 119.800 0.154 0.000 2.274 111 Q HA 0.415 4.745 4.340 -0.016 0.000 0.268 111 Q C -1.161 174.936 176.000 0.162 0.000 1.015 111 Q CA -0.621 55.305 55.803 0.206 0.000 0.775 111 Q CB 2.201 31.142 28.738 0.338 0.000 1.256 111 Q HN 0.830 nan 8.270 nan 0.000 0.442 112 T N -0.136 114.526 114.554 0.179 0.000 2.944 112 T HA 0.249 4.589 4.350 -0.016 0.000 0.284 112 T C 0.933 175.755 174.700 0.202 0.000 1.010 112 T CA -0.234 61.978 62.100 0.186 0.000 1.025 112 T CB 1.056 70.026 68.868 0.171 0.000 1.079 112 T HN 0.643 nan 8.240 nan 0.000 0.516 113 D N 1.198 121.727 120.400 0.215 0.000 2.075 113 D HA -0.059 4.571 4.640 -0.016 0.000 0.196 113 D C 0.574 176.956 176.300 0.136 0.000 0.985 113 D CA 1.129 55.227 54.000 0.164 0.000 0.834 113 D CB -0.171 40.712 40.800 0.139 0.000 0.987 113 D HN 0.595 nan 8.370 nan 0.000 0.452 114 K N -0.622 119.820 120.400 0.070 0.000 2.240 114 K HA 0.351 4.662 4.320 -0.016 0.000 0.237 114 K C 1.352 177.960 176.600 0.013 0.000 1.027 114 K CA 0.013 56.201 56.287 -0.165 0.000 0.937 114 K CB 1.065 33.159 32.500 -0.677 0.000 1.171 114 K HN 0.173 nan 8.250 nan 0.000 0.479 115 T N -2.276 112.261 114.554 -0.029 0.000 3.039 115 T HA 0.221 4.561 4.350 -0.016 0.000 0.250 115 T C 0.916 175.700 174.700 0.141 0.000 1.052 115 T CA 0.038 62.221 62.100 0.138 0.000 1.125 115 T CB 0.104 69.070 68.868 0.162 0.000 0.908 115 T HN 0.477 nan 8.240 nan 0.000 0.473 116 I N -0.048 120.452 120.570 -0.116 0.000 2.934 116 I HA 0.641 4.801 4.170 -0.016 0.000 0.306 116 I C -1.914 174.125 176.117 -0.129 0.000 1.110 116 I CA -1.840 59.460 61.300 -0.001 0.000 1.019 116 I CB 2.390 40.258 38.000 -0.220 0.000 1.227 116 I HN 0.110 nan 8.210 nan 0.000 0.434 117 Y N 1.957 122.462 120.300 0.342 0.000 2.562 117 Y HA 0.454 4.994 4.550 -0.016 0.000 0.345 117 Y C -0.244 175.836 175.900 0.300 0.000 1.045 117 Y CA -0.858 57.442 58.100 0.334 0.000 1.028 117 Y CB 2.321 40.903 38.460 0.203 0.000 1.297 117 Y HN 0.484 nan 8.280 nan 0.000 0.463 118 T N -0.121 114.554 114.554 0.200 0.000 2.829 118 T HA 0.463 4.803 4.350 -0.016 0.000 0.282 118 T C -2.952 171.732 174.700 -0.027 0.000 0.990 118 T CA -2.645 59.426 62.100 -0.049 0.000 1.028 118 T CB 1.373 70.044 68.868 -0.327 0.000 0.951 118 T HN 0.136 nan 8.240 nan 0.000 0.460 119 P HA 0.264 nan 4.420 nan 0.000 0.261 119 P C 1.139 178.376 177.300 -0.105 0.000 1.183 119 P CA 1.088 64.140 63.100 -0.080 0.000 0.761 119 P CB 0.170 31.844 31.700 -0.043 0.000 0.785 120 G N 1.584 110.295 108.800 -0.148 0.000 2.211 120 G HA2 -0.174 3.776 3.960 -0.016 0.000 0.201 120 G HA3 -0.174 3.776 3.960 -0.016 0.000 0.201 120 G C 0.282 175.100 174.900 -0.136 0.000 0.997 120 G CA 0.191 45.208 45.100 -0.139 0.000 0.652 120 G HN 0.736 nan 8.290 nan 0.000 0.500 121 S N -0.369 115.257 115.700 -0.124 0.000 2.745 121 S HA 0.806 5.266 4.470 -0.016 0.000 0.292 121 S C -0.175 174.347 174.600 -0.130 0.000 1.133 121 S CA 0.154 58.309 58.200 -0.076 0.000 0.998 121 S CB 2.002 65.216 63.200 0.025 0.000 1.087 121 S HN 0.586 nan 8.310 nan 0.000 0.551 122 T N 1.420 115.935 114.554 -0.065 0.000 2.771 122 T HA 0.489 4.829 4.350 -0.016 0.000 0.281 122 T C -0.500 174.176 174.700 -0.040 0.000 0.982 122 T CA -0.589 61.450 62.100 -0.103 0.000 0.978 122 T CB 1.093 69.921 68.868 -0.067 0.000 0.930 122 T HN 0.503 nan 8.240 nan 0.000 0.447 123 V N 5.286 125.093 119.914 -0.178 0.000 2.408 123 V HA 0.280 4.390 4.120 -0.016 0.000 0.267 123 V C 0.118 176.218 176.094 0.011 0.000 1.047 123 V CA -0.611 61.506 62.300 -0.305 0.000 0.937 123 V CB 0.314 31.647 31.823 -0.817 0.000 0.999 123 V HN 0.729 nan 8.190 nan 0.000 0.472 124 L N 7.426 128.699 121.223 0.085 0.000 2.264 124 L HA 0.563 4.894 4.340 -0.016 0.000 0.289 124 L C -0.563 176.386 176.870 0.131 0.000 1.044 124 L CA -0.448 54.436 54.840 0.073 0.000 0.807 124 L CB 0.534 42.623 42.059 0.051 0.000 1.192 124 L HN 0.773 nan 8.230 nan 0.000 0.425 125 Y N 1.237 121.491 120.300 -0.077 0.000 2.470 125 Y HA 0.729 5.269 4.550 -0.016 0.000 0.341 125 Y C -0.891 174.929 175.900 -0.133 0.000 1.021 125 Y CA -1.331 56.713 58.100 -0.094 0.000 1.025 125 Y CB 1.316 39.704 38.460 -0.119 0.000 1.266 125 Y HN 0.382 nan 8.280 nan 0.000 0.448 126 R N 3.387 123.815 120.500 -0.121 0.000 2.514 126 R HA 0.637 4.968 4.340 -0.016 0.000 0.301 126 R C -1.563 174.439 176.300 -0.496 0.000 0.962 126 R CA -1.018 54.856 56.100 -0.377 0.000 0.882 126 R CB 2.317 32.328 30.300 -0.482 0.000 1.143 126 R HN 0.706 nan 8.270 nan 0.000 0.452 127 I N 2.911 123.197 120.570 -0.473 0.000 2.359 127 I HA 0.260 4.420 4.170 -0.016 0.000 0.294 127 I C -0.758 175.060 176.117 -0.497 0.000 0.987 127 I CA -0.195 60.878 61.300 -0.378 0.000 1.225 127 I CB 0.874 38.763 38.000 -0.185 0.000 1.366 127 I HN 0.370 nan 8.210 nan 0.000 0.466 128 F N 3.856 123.816 119.950 0.015 0.000 2.361 128 F HA 0.374 4.891 4.527 -0.016 0.000 0.364 128 F C 0.589 176.376 175.800 -0.023 0.000 1.117 128 F CA -1.016 57.008 58.000 0.040 0.000 1.071 128 F CB 1.157 40.244 39.000 0.145 0.000 1.188 128 F HN 0.347 nan 8.300 nan 0.000 0.464 129 T N 1.681 116.324 114.554 0.148 0.000 2.781 129 T HA 0.678 5.019 4.350 -0.016 0.000 0.305 129 T C -0.541 174.252 174.700 0.155 0.000 1.001 129 T CA -0.602 61.572 62.100 0.124 0.000 0.950 129 T CB 0.300 69.258 68.868 0.150 0.000 0.955 129 T HN 0.492 nan 8.240 nan 0.000 0.471 130 V N 1.618 121.609 119.914 0.129 0.000 2.925 130 V HA 0.712 4.822 4.120 -0.016 0.000 0.311 130 V C -0.058 176.040 176.094 0.008 0.000 1.104 130 V CA -1.421 60.936 62.300 0.095 0.000 0.954 130 V CB 1.724 33.639 31.823 0.153 0.000 1.022 130 V HN 0.934 nan 8.190 nan 0.000 0.427 131 N N 1.391 120.071 118.700 -0.033 0.000 2.294 131 N HA 0.115 4.845 4.740 -0.016 0.000 0.275 131 N C 0.779 176.185 175.510 -0.173 0.000 1.291 131 N CA 0.786 53.747 53.050 -0.148 0.000 0.933 131 N CB -0.382 38.081 38.487 -0.040 0.000 1.096 131 N HN 0.832 nan 8.380 nan 0.000 0.525 132 H N -1.357 117.641 119.070 -0.121 0.000 2.423 132 H HA 0.114 4.660 4.556 -0.016 0.000 0.297 132 H C 0.900 176.340 175.328 0.186 0.000 1.075 132 H CA 1.436 57.446 56.048 -0.063 0.000 1.342 132 H CB 0.061 29.768 29.762 -0.092 0.000 1.395 132 H HN 0.546 nan 8.280 nan 0.000 0.530 133 K N 0.600 121.136 120.400 0.227 0.000 2.505 133 K HA 0.124 4.434 4.320 -0.016 0.000 0.192 133 K C 0.206 176.924 176.600 0.195 0.000 1.025 133 K CA 0.171 56.576 56.287 0.196 0.000 1.086 133 K CB 0.586 33.155 32.500 0.115 0.000 0.840 133 K HN 0.179 nan 8.250 nan 0.000 0.514 134 L N -0.458 120.895 121.223 0.215 0.000 5.044 134 L HA -0.260 4.071 4.340 -0.016 0.000 0.412 134 L C -0.189 176.746 176.870 0.108 0.000 0.971 134 L CA 0.294 55.244 54.840 0.182 0.000 1.411 134 L CB -1.426 40.718 42.059 0.142 0.000 1.884 134 L HN 0.218 nan 8.230 nan 0.000 0.631 135 L N 2.173 123.449 121.223 0.089 0.000 2.417 135 L HA 0.288 4.618 4.340 -0.016 0.000 0.268 135 L C -1.509 175.393 176.870 0.053 0.000 1.158 135 L CA -1.522 53.353 54.840 0.057 0.000 0.819 135 L CB 0.258 42.344 42.059 0.044 0.000 1.112 135 L HN -0.185 nan 8.230 nan 0.000 0.458 136 P HA 0.063 nan 4.420 nan 0.000 0.268 136 P C -0.722 176.599 177.300 0.035 0.000 1.204 136 P CA 0.112 63.245 63.100 0.055 0.000 0.768 136 P CB 1.734 33.464 31.700 0.050 0.000 0.842 137 V N 2.392 122.328 119.914 0.037 0.000 3.040 137 V HA 0.798 4.909 4.120 -0.016 0.000 0.312 137 V C -0.303 175.804 176.094 0.023 0.000 1.115 137 V CA -0.785 61.520 62.300 0.009 0.000 0.998 137 V CB 2.446 34.246 31.823 -0.037 0.000 1.042 137 V HN 0.684 nan 8.190 nan 0.000 0.433 138 G N 4.284 113.086 108.800 0.004 0.000 2.415 138 G HA2 0.728 4.679 3.960 -0.016 0.000 0.317 138 G HA3 0.728 4.679 3.960 -0.016 0.000 0.317 138 G C -0.677 174.228 174.900 0.007 0.000 1.152 138 G CA -0.488 44.620 45.100 0.014 0.000 0.956 138 G HN 0.591 nan 8.290 nan 0.000 0.458 139 R N 1.028 121.557 120.500 0.048 0.000 2.846 139 R HA 0.551 4.882 4.340 -0.016 0.000 0.263 139 R C -0.749 175.598 176.300 0.079 0.000 1.080 139 R CA -0.752 55.382 56.100 0.058 0.000 0.961 139 R CB 1.073 31.417 30.300 0.074 0.000 1.231 139 R HN 0.436 nan 8.270 nan 0.000 0.465 140 T N 1.034 115.632 114.554 0.074 0.000 2.806 140 T HA 0.428 4.768 4.350 -0.016 0.000 0.290 140 T C -0.195 174.525 174.700 0.034 0.000 0.966 140 T CA -0.418 61.703 62.100 0.036 0.000 1.060 140 T CB 1.156 70.030 68.868 0.011 0.000 0.927 140 T HN 0.122 nan 8.240 nan 0.000 0.485 141 V N 5.236 125.121 119.914 -0.048 0.000 2.487 141 V HA 0.429 4.539 4.120 -0.016 0.000 0.298 141 V C -0.141 175.818 176.094 -0.225 0.000 1.028 141 V CA -0.956 61.252 62.300 -0.155 0.000 0.860 141 V CB 1.752 33.474 31.823 -0.168 0.000 0.991 141 V HN 0.813 nan 8.190 nan 0.000 0.427 142 M N 4.852 124.197 119.600 -0.424 0.000 2.233 142 M HA 0.577 5.047 4.480 -0.016 0.000 0.355 142 M C -0.728 175.384 176.300 -0.313 0.000 1.191 142 M CA -0.518 54.515 55.300 -0.446 0.000 1.101 142 M CB 1.369 33.467 32.600 -0.837 0.000 1.592 142 M HN 0.312 nan 8.290 nan 0.000 0.461 143 V N 4.116 123.950 119.914 -0.132 0.000 2.525 143 V HA 0.406 4.517 4.120 -0.016 0.000 0.299 143 V C -0.223 175.863 176.094 -0.013 0.000 1.034 143 V CA -0.844 61.433 62.300 -0.038 0.000 0.863 143 V CB 1.996 33.833 31.823 0.024 0.000 0.999 143 V HN 0.848 nan 8.190 nan 0.000 0.423 144 N N 4.462 123.163 118.700 0.002 0.000 2.443 144 N HA 0.691 5.421 4.740 -0.016 0.000 0.293 144 N C -1.196 174.256 175.510 -0.098 0.000 1.159 144 N CA -0.653 52.381 53.050 -0.026 0.000 0.904 144 N CB 2.821 41.321 38.487 0.021 0.000 1.214 144 N HN 0.455 nan 8.380 nan 0.000 0.513 145 I N 1.388 121.868 120.570 -0.151 0.000 2.476 145 I HA 0.221 4.382 4.170 -0.016 0.000 0.281 145 I C -0.522 175.533 176.117 -0.104 0.000 1.040 145 I CA -0.417 60.767 61.300 -0.193 0.000 1.094 145 I CB 1.587 39.286 38.000 -0.502 0.000 1.219 145 I HN 0.287 nan 8.210 nan 0.000 0.450 146 E N 4.772 124.937 120.200 -0.059 0.000 2.231 146 E HA 0.251 4.591 4.350 -0.016 0.000 0.277 146 E C -0.551 175.867 176.600 -0.304 0.000 0.999 146 E CA -0.834 55.486 56.400 -0.134 0.000 0.827 146 E CB 1.474 31.090 29.700 -0.140 0.000 1.101 146 E HN 0.546 nan 8.360 nan 0.000 0.393 147 N N 2.347 120.668 118.700 -0.631 0.000 2.364 147 N HA 0.108 4.838 4.740 -0.016 0.000 0.264 147 N C -2.146 172.766 175.510 -0.996 0.000 1.263 147 N CA -1.533 50.597 53.050 -1.533 0.000 0.959 147 N CB -0.309 37.405 38.487 -1.287 0.000 1.204 147 N HN 0.018 nan 8.380 nan 0.000 0.550 148 P HA -0.198 nan 4.420 nan 0.000 0.215 148 P C 0.635 177.725 177.300 -0.350 0.000 1.163 148 P CA 2.055 64.821 63.100 -0.556 0.000 0.894 148 P CB -0.115 31.335 31.700 -0.416 0.000 0.791 149 E N -1.278 118.735 120.200 -0.312 0.000 2.516 149 E HA 0.095 4.435 4.350 -0.016 0.000 0.199 149 E C 0.844 177.333 176.600 -0.185 0.000 1.069 149 E CA 0.645 56.925 56.400 -0.201 0.000 0.876 149 E CB -0.840 28.765 29.700 -0.157 0.000 0.843 149 E HN 0.197 nan 8.360 nan 0.000 0.530 150 G N 1.340 109.999 108.800 -0.235 0.000 2.270 150 G HA2 -0.145 3.805 3.960 -0.016 0.000 0.224 150 G HA3 -0.145 3.805 3.960 -0.016 0.000 0.224 150 G C -0.336 174.472 174.900 -0.154 0.000 1.079 150 G CA -0.280 44.710 45.100 -0.182 0.000 0.807 150 G HN 0.180 nan 8.290 nan 0.000 0.492 151 I N 0.618 121.077 120.570 -0.185 0.000 2.418 151 I HA 0.363 4.523 4.170 -0.016 0.000 0.287 151 I C -2.277 173.773 176.117 -0.111 0.000 1.008 151 I CA -3.093 58.132 61.300 -0.125 0.000 1.104 151 I CB 1.748 39.687 38.000 -0.102 0.000 1.264 151 I HN -0.131 nan 8.210 nan 0.000 0.438 152 P HA 0.114 nan 4.420 nan 0.000 0.271 152 P C 0.776 178.061 177.300 -0.025 0.000 1.216 152 P CA 0.063 63.130 63.100 -0.055 0.000 0.771 152 P CB 0.868 32.546 31.700 -0.037 0.000 0.864 153 V N -0.006 119.890 119.914 -0.031 0.000 3.502 153 V HA 0.387 4.497 4.120 -0.016 0.000 0.288 153 V C 0.298 176.378 176.094 -0.024 0.000 1.461 153 V CA 0.414 62.730 62.300 0.027 0.000 1.029 153 V CB -0.301 31.621 31.823 0.164 0.000 0.843 153 V HN 0.390 nan 8.190 nan 0.000 0.438 154 K N 2.106 122.423 120.400 -0.138 0.000 2.550 154 K HA 0.468 4.778 4.320 -0.016 0.000 0.252 154 K C -1.792 174.746 176.600 -0.103 0.000 0.943 154 K CA -0.324 55.883 56.287 -0.133 0.000 0.806 154 K CB 2.043 34.355 32.500 -0.313 0.000 1.289 154 K HN 0.448 nan 8.250 nan 0.000 0.435 155 Q N 3.038 122.818 119.800 -0.034 0.000 2.285 155 Q HA 0.432 4.762 4.340 -0.016 0.000 0.269 155 Q C -1.410 174.589 176.000 -0.003 0.000 1.030 155 Q CA -0.869 54.924 55.803 -0.018 0.000 0.788 155 Q CB 2.438 31.175 28.738 -0.001 0.000 1.266 155 Q HN 0.420 nan 8.270 nan 0.000 0.438 156 D N 1.276 121.673 120.400 -0.005 0.000 2.340 156 D HA 0.343 4.973 4.640 -0.016 0.000 0.240 156 D C -0.818 175.458 176.300 -0.039 0.000 1.001 156 D CA -0.460 53.535 54.000 -0.008 0.000 0.888 156 D CB 2.115 42.919 40.800 0.007 0.000 1.310 156 D HN 0.489 nan 8.370 nan 0.000 0.474 157 S N 1.763 117.440 115.700 -0.038 0.000 2.060 157 S HA 0.339 4.800 4.470 -0.016 0.000 0.156 157 S C -0.708 173.864 174.600 -0.048 0.000 1.690 157 S CA -0.588 57.579 58.200 -0.055 0.000 1.238 157 S CB -0.366 62.810 63.200 -0.040 0.000 1.150 157 S HN 0.245 nan 8.310 nan 0.000 0.437 158 L N 2.233 123.422 121.223 -0.057 0.000 2.448 158 L HA 0.750 5.080 4.340 -0.016 0.000 0.258 158 L C 0.094 176.940 176.870 -0.041 0.000 1.104 158 L CA 0.120 54.931 54.840 -0.049 0.000 0.800 158 L CB 1.784 43.807 42.059 -0.060 0.000 1.241 158 L HN 0.444 nan 8.230 nan 0.000 0.472 159 S N -0.959 114.724 115.700 -0.029 0.000 2.571 159 S HA 0.362 4.823 4.470 -0.016 0.000 0.284 159 S C 0.192 174.787 174.600 -0.007 0.000 1.128 159 S CA -0.061 58.133 58.200 -0.011 0.000 0.970 159 S CB 1.078 64.275 63.200 -0.006 0.000 1.039 159 S HN 0.688 nan 8.310 nan 0.000 0.485 160 S N 3.218 118.924 115.700 0.010 0.000 2.803 160 S HA 0.149 4.609 4.470 -0.016 0.000 0.228 160 S C 0.422 175.030 174.600 0.013 0.000 0.953 160 S CA -0.172 58.035 58.200 0.013 0.000 0.983 160 S CB -0.325 62.898 63.200 0.038 0.000 0.784 160 S HN 0.707 nan 8.310 nan 0.000 0.498 161 Q N 2.191 121.995 119.800 0.006 0.000 2.311 161 Q HA 0.240 4.570 4.340 -0.016 0.000 0.272 161 Q C 0.304 176.304 176.000 0.000 0.000 1.012 161 Q CA 0.901 56.706 55.803 0.003 0.000 0.891 161 Q CB -0.315 28.423 28.738 -0.000 0.000 1.201 161 Q HN 0.618 nan 8.270 nan 0.000 0.391 162 N N 1.974 120.675 118.700 0.001 0.000 2.732 162 N HA -0.294 4.436 4.740 -0.016 0.000 0.250 162 N C -0.093 175.417 175.510 0.001 0.000 1.097 162 N CA 0.856 53.906 53.050 -0.000 0.000 0.812 162 N CB -0.554 37.931 38.487 -0.003 0.000 1.148 162 N HN 0.534 nan 8.380 nan 0.000 0.572 163 Q N 0.543 120.345 119.800 0.004 0.000 2.247 163 Q HA 0.370 4.700 4.340 -0.016 0.000 0.204 163 Q C 0.149 176.160 176.000 0.017 0.000 0.872 163 Q CA -0.255 55.550 55.803 0.004 0.000 0.951 163 Q CB 0.346 29.082 28.738 -0.003 0.000 1.099 163 Q HN 0.401 nan 8.270 nan 0.000 0.501 164 L N -0.396 120.839 121.223 0.021 0.000 3.843 164 L HA -0.248 4.082 4.340 -0.016 0.000 0.411 164 L C 0.747 177.652 176.870 0.059 0.000 1.205 164 L CA 1.438 56.297 54.840 0.031 0.000 0.945 164 L CB -1.528 40.545 42.059 0.023 0.000 1.929 164 L HN 0.483 nan 8.230 nan 0.000 0.934 165 G N -2.043 106.795 108.800 0.064 0.000 2.168 165 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.263 165 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.263 165 G C 0.246 175.229 174.900 0.139 0.000 0.977 165 G CA 0.290 45.451 45.100 0.102 0.000 0.659 165 G HN 1.130 nan 8.290 nan 0.000 0.533 166 V N 1.054 121.022 119.914 0.091 0.000 2.326 166 V HA 0.576 4.686 4.120 -0.016 0.000 0.281 166 V C 0.348 176.406 176.094 -0.060 0.000 1.015 166 V CA -0.649 61.682 62.300 0.052 0.000 0.823 166 V CB 1.579 33.476 31.823 0.124 0.000 1.009 166 V HN 0.267 nan 8.190 nan 0.000 0.436 167 L N 7.995 129.129 121.223 -0.149 0.000 2.297 167 L HA 0.448 4.778 4.340 -0.016 0.000 0.277 167 L C -2.145 174.588 176.870 -0.228 0.000 1.040 167 L CA -1.532 53.215 54.840 -0.156 0.000 0.867 167 L CB 1.811 43.786 42.059 -0.139 0.000 1.244 167 L HN 0.403 nan 8.230 nan 0.000 0.433 168 P HA 0.370 nan 4.420 nan 0.000 0.274 168 P C -0.793 176.306 177.300 -0.336 0.000 1.231 168 P CA -0.227 62.725 63.100 -0.246 0.000 0.790 168 P CB 1.971 33.577 31.700 -0.158 0.000 0.951 169 L N 0.699 121.605 121.223 -0.530 0.000 2.622 169 L HA 0.465 4.795 4.340 -0.016 0.000 0.258 169 L C -0.322 176.096 176.870 -0.754 0.000 0.996 169 L CA -0.561 53.840 54.840 -0.732 0.000 0.858 169 L CB 2.388 43.754 42.059 -1.156 0.000 1.449 169 L HN 0.529 nan 8.230 nan 0.000 0.411 170 S N -0.305 115.177 115.700 -0.363 0.000 2.595 170 S HA 0.783 5.243 4.470 -0.016 0.000 0.281 170 S C -2.068 172.690 174.600 0.264 0.000 1.117 170 S CA -0.627 57.548 58.200 -0.040 0.000 0.873 170 S CB 2.518 65.694 63.200 -0.040 0.000 1.108 170 S HN 0.609 nan 8.310 nan 0.000 0.477 171 W N 1.939 123.272 121.300 0.056 0.000 3.036 171 W HA 0.477 5.127 4.660 -0.016 0.000 0.337 171 W C -2.186 174.289 176.519 -0.073 0.000 1.055 171 W CA -0.593 56.759 57.345 0.011 0.000 1.248 171 W CB 1.127 30.605 29.460 0.031 0.000 1.335 171 W HN 0.714 nan 8.180 nan 0.000 0.446 172 D N 6.027 126.075 120.400 -0.587 0.000 2.344 172 D HA 0.205 4.835 4.640 -0.016 0.000 0.253 172 D C 0.496 176.107 176.300 -1.149 0.000 1.255 172 D CA 0.378 53.993 54.000 -0.640 0.000 0.894 172 D CB 0.618 41.199 40.800 -0.365 0.000 1.067 172 D HN 0.243 nan 8.370 nan 0.000 0.492 173 I N 4.397 124.332 120.570 -1.057 0.000 2.598 173 I HA 0.080 4.241 4.170 -0.016 0.000 0.284 173 I C -1.858 173.911 176.117 -0.579 0.000 1.140 173 I CA -1.597 59.062 61.300 -1.068 0.000 1.420 173 I CB 0.261 37.877 38.000 -0.640 0.000 1.387 173 I HN 0.108 nan 8.210 nan 0.000 0.553 174 P HA 0.088 nan 4.420 nan 0.000 0.274 174 P C 0.324 177.537 177.300 -0.145 0.000 1.237 174 P CA -0.354 62.615 63.100 -0.219 0.000 0.793 174 P CB 0.648 32.284 31.700 -0.106 0.000 0.977 175 E N 0.539 120.681 120.200 -0.096 0.000 2.204 175 E HA -0.064 4.276 4.350 -0.016 0.000 0.194 175 E C 0.375 176.961 176.600 -0.023 0.000 0.989 175 E CA 0.914 57.277 56.400 -0.062 0.000 0.824 175 E CB -0.051 29.618 29.700 -0.051 0.000 0.756 175 E HN 0.440 nan 8.360 nan 0.000 0.477 176 L N 1.609 122.828 121.223 -0.007 0.000 2.270 176 L HA 0.291 4.621 4.340 -0.016 0.000 0.286 176 L C -0.296 176.618 176.870 0.073 0.000 1.059 176 L CA -0.409 54.451 54.840 0.032 0.000 0.839 176 L CB 1.230 43.309 42.059 0.034 0.000 1.221 176 L HN -0.192 nan 8.230 nan 0.000 0.431 177 V N 3.005 122.984 119.914 0.108 0.000 3.167 177 V HA 0.352 4.462 4.120 -0.016 0.000 0.293 177 V C -0.990 175.266 176.094 0.269 0.000 1.379 177 V CA -0.820 61.611 62.300 0.219 0.000 1.019 177 V CB 2.922 34.835 31.823 0.150 0.000 1.115 177 V HN 0.624 nan 8.190 nan 0.000 0.442 178 N N 3.347 122.292 118.700 0.409 0.000 2.442 178 N HA 0.401 5.131 4.740 -0.016 0.000 0.265 178 N C -0.147 175.607 175.510 0.406 0.000 1.138 178 N CA -0.102 53.125 53.050 0.294 0.000 0.956 178 N CB 0.985 39.552 38.487 0.132 0.000 1.067 178 N HN 0.609 nan 8.380 nan 0.000 0.474 179 M N 1.247 120.995 119.600 0.247 0.000 2.207 179 M HA 0.323 4.793 4.480 -0.016 0.000 0.311 179 M C 1.206 177.627 176.300 0.202 0.000 1.127 179 M CA 0.866 56.310 55.300 0.241 0.000 1.181 179 M CB 0.275 32.963 32.600 0.146 0.000 1.409 179 M HN 0.774 nan 8.290 nan 0.000 0.461 180 G N 0.526 109.447 108.800 0.202 0.000 2.342 180 G HA2 -0.058 3.892 3.960 -0.016 0.000 0.220 180 G HA3 -0.058 3.892 3.960 -0.016 0.000 0.220 180 G C -1.496 173.481 174.900 0.127 0.000 1.243 180 G CA -0.963 44.200 45.100 0.106 0.000 1.083 180 G HN 0.569 nan 8.290 nan 0.000 0.500 181 Q N 0.016 119.813 119.800 -0.006 0.000 2.323 181 Q HA 0.412 4.742 4.340 -0.016 0.000 0.257 181 Q C -0.784 175.109 176.000 -0.179 0.000 1.022 181 Q CA 0.204 55.983 55.803 -0.040 0.000 0.919 181 Q CB 0.854 29.560 28.738 -0.054 0.000 1.220 181 Q HN 0.414 nan 8.270 nan 0.000 0.427 182 W N 1.941 122.973 121.300 -0.445 0.000 2.436 182 W HA 0.446 5.096 4.660 -0.016 0.000 0.347 182 W C 0.507 176.716 176.519 -0.517 0.000 1.136 182 W CA -0.425 56.553 57.345 -0.611 0.000 1.286 182 W CB 1.195 29.979 29.460 -1.128 0.000 1.253 182 W HN 0.213 nan 8.180 nan 0.000 0.617 183 K N 2.158 122.516 120.400 -0.070 0.000 2.427 183 K HA 0.520 4.830 4.320 -0.016 0.000 0.252 183 K C -1.309 175.349 176.600 0.096 0.000 0.931 183 K CA -0.716 55.586 56.287 0.025 0.000 0.793 183 K CB 1.557 34.038 32.500 -0.032 0.000 1.211 183 K HN 0.425 nan 8.250 nan 0.000 0.426 184 I N 4.580 125.222 120.570 0.121 0.000 2.330 184 I HA 0.336 4.497 4.170 -0.016 0.000 0.289 184 I C -0.165 175.965 176.117 0.021 0.000 1.001 184 I CA -0.648 60.653 61.300 0.002 0.000 1.193 184 I CB 1.271 39.192 38.000 -0.131 0.000 1.345 184 I HN 0.357 nan 8.210 nan 0.000 0.461 185 R N 5.257 125.765 120.500 0.014 0.000 2.514 185 R HA 0.873 5.203 4.340 -0.016 0.000 0.301 185 R C -0.907 175.452 176.300 0.098 0.000 0.962 185 R CA -0.741 55.395 56.100 0.061 0.000 0.882 185 R CB 2.318 32.644 30.300 0.044 0.000 1.143 185 R HN 0.683 nan 8.270 nan 0.000 0.452 186 A N 2.472 125.383 122.820 0.152 0.000 2.549 186 A HA 0.696 5.006 4.320 -0.016 0.000 0.297 186 A C -1.671 176.058 177.584 0.243 0.000 1.061 186 A CA -0.786 51.327 52.037 0.128 0.000 0.690 186 A CB 1.260 20.271 19.000 0.019 0.000 1.287 186 A HN 0.796 nan 8.150 nan 0.000 0.402 187 Y N -1.491 118.798 120.300 -0.019 0.000 2.625 187 Y HA 0.729 5.269 4.550 -0.016 0.000 0.338 187 Y C -1.272 174.591 175.900 -0.060 0.000 1.123 187 Y CA -1.551 56.547 58.100 -0.004 0.000 1.046 187 Y CB 0.826 39.297 38.460 0.018 0.000 1.299 187 Y HN 0.576 nan 8.280 nan 0.000 0.464 188 Y N 1.909 122.311 120.300 0.170 0.000 2.377 188 Y HA 0.080 4.620 4.550 -0.016 0.000 0.330 188 Y C 1.735 177.668 175.900 0.054 0.000 1.108 188 Y CA 0.165 58.291 58.100 0.044 0.000 1.308 188 Y CB 1.296 39.798 38.460 0.069 0.000 1.216 188 Y HN 0.898 nan 8.280 nan 0.000 0.518 189 E N 2.080 122.354 120.200 0.122 0.000 2.171 189 E HA -0.303 4.037 4.350 -0.016 0.000 0.197 189 E C 0.979 177.674 176.600 0.158 0.000 0.997 189 E CA 1.511 57.964 56.400 0.088 0.000 0.810 189 E CB 0.134 29.855 29.700 0.036 0.000 0.738 189 E HN 0.721 nan 8.360 nan 0.000 0.467 190 N N -0.037 118.756 118.700 0.155 0.000 2.494 190 N HA -0.051 4.680 4.740 -0.016 0.000 0.182 190 N C -0.157 175.429 175.510 0.127 0.000 1.076 190 N CA 0.888 54.001 53.050 0.104 0.000 0.908 190 N CB 0.672 39.180 38.487 0.035 0.000 0.967 190 N HN 0.033 nan 8.380 nan 0.000 0.449 191 S N -0.641 115.187 115.700 0.213 0.000 2.312 191 S HA 0.323 4.783 4.470 -0.016 0.000 0.173 191 S C -2.361 172.375 174.600 0.227 0.000 1.488 191 S CA -1.010 57.301 58.200 0.185 0.000 1.239 191 S CB 2.272 65.580 63.200 0.180 0.000 1.215 191 S HN -0.091 nan 8.310 nan 0.000 0.438 192 P HA -0.112 nan 4.420 nan 0.000 0.229 192 P C 1.389 178.560 177.300 -0.215 0.000 1.160 192 P CA 0.746 63.812 63.100 -0.057 0.000 0.777 192 P CB 0.196 31.868 31.700 -0.047 0.000 0.814 193 Q N 0.268 120.014 119.800 -0.090 0.000 2.049 193 Q HA -0.098 4.232 4.340 -0.016 0.000 0.198 193 Q C 1.265 177.188 176.000 -0.128 0.000 0.971 193 Q CA 0.887 56.625 55.803 -0.108 0.000 0.833 193 Q CB -1.043 27.659 28.738 -0.060 0.000 0.896 193 Q HN 0.332 nan 8.270 nan 0.000 0.434 194 Q N 1.580 121.328 119.800 -0.087 0.000 2.296 194 Q HA 0.357 4.687 4.340 -0.016 0.000 0.263 194 Q C -1.315 174.534 176.000 -0.252 0.000 1.026 194 Q CA -0.209 55.493 55.803 -0.168 0.000 0.912 194 Q CB 0.881 29.571 28.738 -0.081 0.000 1.198 194 Q HN 0.072 nan 8.270 nan 0.000 0.407 195 V N 4.973 124.643 119.914 -0.407 0.000 2.715 195 V HA 0.541 4.651 4.120 -0.016 0.000 0.310 195 V C -0.789 174.960 176.094 -0.574 0.000 1.054 195 V CA -0.714 61.394 62.300 -0.320 0.000 0.928 195 V CB 1.617 33.324 31.823 -0.193 0.000 1.007 195 V HN 0.623 nan 8.190 nan 0.000 0.437 196 F N 1.153 121.116 119.950 0.022 0.000 2.493 196 F HA 0.701 5.218 4.527 -0.016 0.000 0.329 196 F C 0.404 176.218 175.800 0.022 0.000 1.126 196 F CA -0.266 57.739 58.000 0.008 0.000 0.937 196 F CB 2.288 41.262 39.000 -0.043 0.000 1.146 196 F HN 0.390 nan 8.300 nan 0.000 0.442 197 S N 0.908 116.725 115.700 0.196 0.000 2.548 197 S HA 0.814 5.274 4.470 -0.016 0.000 0.286 197 S C -0.892 173.796 174.600 0.148 0.000 1.098 197 S CA -0.826 57.452 58.200 0.130 0.000 0.930 197 S CB 2.275 65.516 63.200 0.069 0.000 1.070 197 S HN 0.511 nan 8.310 nan 0.000 0.480 198 T N 2.143 116.779 114.554 0.136 0.000 2.916 198 T HA 0.393 4.733 4.350 -0.016 0.000 0.298 198 T C -1.109 173.700 174.700 0.182 0.000 1.031 198 T CA -0.779 61.417 62.100 0.161 0.000 0.993 198 T CB 1.477 70.450 68.868 0.175 0.000 1.045 198 T HN 0.557 nan 8.240 nan 0.000 0.454 199 E N 2.058 122.363 120.200 0.176 0.000 2.231 199 E HA 0.627 4.967 4.350 -0.016 0.000 0.277 199 E C -0.908 175.871 176.600 0.298 0.000 0.999 199 E CA -0.792 55.708 56.400 0.168 0.000 0.827 199 E CB 1.286 31.040 29.700 0.090 0.000 1.101 199 E HN 0.608 nan 8.360 nan 0.000 0.393 200 F N -0.855 119.200 119.950 0.175 0.000 2.578 200 F HA 0.470 4.987 4.527 -0.016 0.000 0.311 200 F C -0.592 175.378 175.800 0.285 0.000 1.094 200 F CA -1.183 56.959 58.000 0.235 0.000 0.923 200 F CB 1.274 40.422 39.000 0.247 0.000 1.230 200 F HN 0.285 nan 8.300 nan 0.000 0.450 201 E N 2.619 123.017 120.200 0.330 0.000 2.249 201 E HA 0.563 4.903 4.350 -0.016 0.000 0.280 201 E C -1.572 175.234 176.600 0.343 0.000 1.016 201 E CA -0.830 55.708 56.400 0.230 0.000 0.830 201 E CB 1.792 31.591 29.700 0.165 0.000 1.081 201 E HN 0.683 nan 8.360 nan 0.000 0.395 202 V N 5.637 125.718 119.914 0.279 0.000 2.378 202 V HA 0.418 4.528 4.120 -0.016 0.000 0.288 202 V C -0.217 176.031 176.094 0.257 0.000 1.016 202 V CA -0.459 62.001 62.300 0.267 0.000 0.840 202 V CB 1.314 33.175 31.823 0.063 0.000 0.994 202 V HN 0.630 nan 8.190 nan 0.000 0.431 203 K N 3.307 123.880 120.400 0.287 0.000 2.551 203 K HA 0.455 4.765 4.320 -0.016 0.000 0.269 203 K C -0.967 175.780 176.600 0.243 0.000 0.949 203 K CA -0.736 55.703 56.287 0.254 0.000 0.849 203 K CB 2.448 35.095 32.500 0.245 0.000 1.411 203 K HN 0.649 nan 8.250 nan 0.000 0.432 204 E N 3.329 123.610 120.200 0.136 0.000 2.070 204 E HA 0.139 4.479 4.350 -0.016 0.000 0.282 204 E C -1.085 175.569 176.600 0.090 0.000 1.104 204 E CA -0.145 56.274 56.400 0.032 0.000 0.876 204 E CB 0.215 29.925 29.700 0.018 0.000 1.055 204 E HN 0.417 nan 8.360 nan 0.000 0.401 205 Y N -0.534 119.768 120.300 0.003 0.000 2.625 205 Y HA 0.621 5.162 4.550 -0.016 0.000 0.338 205 Y C -1.119 174.770 175.900 -0.017 0.000 1.123 205 Y CA -1.398 56.697 58.100 -0.009 0.000 1.046 205 Y CB 0.737 39.188 38.460 -0.015 0.000 1.299 205 Y HN 0.104 nan 8.280 nan 0.000 0.464 206 V N 0.117 120.166 119.914 0.225 0.000 2.962 206 V HA 0.630 4.740 4.120 -0.016 0.000 0.313 206 V C -0.964 175.256 176.094 0.210 0.000 1.099 206 V CA -1.199 61.196 62.300 0.158 0.000 0.971 206 V CB 1.719 33.572 31.823 0.050 0.000 1.028 206 V HN 0.764 nan 8.190 nan 0.000 0.430 207 L N 5.268 126.584 121.223 0.155 0.000 2.418 207 L HA 0.480 4.810 4.340 -0.016 0.000 0.274 207 L C -1.551 175.342 176.870 0.039 0.000 1.135 207 L CA -0.852 54.031 54.840 0.072 0.000 0.870 207 L CB -0.133 41.956 42.059 0.049 0.000 1.154 207 L HN 0.694 nan 8.230 nan 0.000 0.462 208 P HA 0.222 nan 4.420 nan 0.000 0.276 208 P C 0.007 177.318 177.300 0.019 0.000 1.252 208 P CA -0.482 62.593 63.100 -0.042 0.000 0.802 208 P CB 0.938 32.509 31.700 -0.215 0.000 1.035 209 S N -0.675 115.107 115.700 0.137 0.000 2.540 209 S HA 0.258 4.719 4.470 -0.016 0.000 0.218 209 S C 0.351 175.178 174.600 0.378 0.000 0.977 209 S CA -0.482 57.917 58.200 0.333 0.000 0.918 209 S CB -0.946 62.556 63.200 0.505 0.000 0.806 209 S HN 0.526 nan 8.310 nan 0.000 0.496 210 F N 0.336 120.256 119.950 -0.050 0.000 2.685 210 F HA 0.845 5.362 4.527 -0.016 0.000 0.315 210 F C -0.969 174.743 175.800 -0.147 0.000 1.126 210 F CA -1.232 56.633 58.000 -0.225 0.000 0.950 210 F CB 0.883 39.506 39.000 -0.628 0.000 1.360 210 F HN 0.141 nan 8.300 nan 0.000 0.469 211 E N 0.614 120.771 120.200 -0.072 0.000 2.263 211 E HA 0.758 5.098 4.350 -0.016 0.000 0.264 211 E C -1.940 174.651 176.600 -0.016 0.000 0.923 211 E CA -1.225 55.102 56.400 -0.121 0.000 0.802 211 E CB 2.662 32.334 29.700 -0.048 0.000 1.228 211 E HN 0.546 nan 8.360 nan 0.000 0.417 212 V N 2.784 122.667 119.914 -0.052 0.000 2.525 212 V HA 0.362 4.473 4.120 -0.016 0.000 0.299 212 V C -0.548 175.538 176.094 -0.012 0.000 1.034 212 V CA -0.600 61.700 62.300 0.000 0.000 0.863 212 V CB 1.232 33.060 31.823 0.009 0.000 0.999 212 V HN 0.646 nan 8.190 nan 0.000 0.423 213 I N 5.719 126.287 120.570 -0.003 0.000 2.362 213 I HA 0.500 4.660 4.170 -0.016 0.000 0.289 213 I C -0.236 175.880 176.117 -0.003 0.000 0.994 213 I CA -0.987 60.311 61.300 -0.004 0.000 1.158 213 I CB 2.008 40.007 38.000 -0.001 0.000 1.315 213 I HN 0.502 nan 8.210 nan 0.000 0.451 214 V N 2.930 122.842 119.914 -0.002 0.000 2.347 214 V HA 0.573 4.683 4.120 -0.016 0.000 0.280 214 V C -0.493 175.608 176.094 0.011 0.000 1.021 214 V CA -0.304 61.996 62.300 -0.000 0.000 0.847 214 V CB 1.163 32.980 31.823 -0.010 0.000 0.990 214 V HN 0.798 nan 8.190 nan 0.000 0.444 215 E N 7.474 127.682 120.200 0.012 0.000 2.185 215 E HA 0.474 4.814 4.350 -0.016 0.000 0.261 215 E C -2.863 173.747 176.600 0.016 0.000 0.879 215 E CA -2.047 54.361 56.400 0.014 0.000 0.756 215 E CB 2.348 32.052 29.700 0.006 0.000 1.152 215 E HN 0.625 nan 8.360 nan 0.000 0.416 216 P HA -0.068 nan 4.420 nan 0.000 0.275 216 P C 0.953 178.234 177.300 -0.032 0.000 1.227 216 P CA -0.171 62.934 63.100 0.009 0.000 0.781 216 P CB 1.176 32.884 31.700 0.013 0.000 0.906 217 T N -0.361 114.168 114.554 -0.042 0.000 2.665 217 T HA -0.134 4.206 4.350 -0.016 0.000 0.268 217 T C 0.650 175.277 174.700 -0.122 0.000 1.035 217 T CA 1.241 63.303 62.100 -0.062 0.000 1.151 217 T CB -0.399 68.437 68.868 -0.053 0.000 0.862 217 T HN 0.373 nan 8.240 nan 0.000 0.438 218 E N 0.826 120.897 120.200 -0.216 0.000 2.202 218 E HA 0.378 4.719 4.350 -0.016 0.000 0.272 218 E C 0.243 176.623 176.600 -0.366 0.000 0.951 218 E CA -0.550 55.587 56.400 -0.437 0.000 0.813 218 E CB 1.756 30.934 29.700 -0.870 0.000 1.151 218 E HN 0.394 nan 8.360 nan 0.000 0.398 219 K N 1.278 121.505 120.400 -0.287 0.000 2.525 219 K HA 0.079 4.389 4.320 -0.016 0.000 0.192 219 K C 0.131 176.776 176.600 0.074 0.000 1.029 219 K CA 0.421 56.684 56.287 -0.039 0.000 1.029 219 K CB -0.241 32.303 32.500 0.073 0.000 0.814 219 K HN 0.298 nan 8.250 nan 0.000 0.503 220 F N -2.888 117.085 119.950 0.037 0.000 2.726 220 F HA 0.472 4.989 4.527 -0.016 0.000 0.324 220 F C -1.156 174.722 175.800 0.131 0.000 1.140 220 F CA -1.985 56.050 58.000 0.057 0.000 0.964 220 F CB 0.656 39.653 39.000 -0.006 0.000 1.399 220 F HN -0.240 nan 8.300 nan 0.000 0.491 221 Y N 1.453 121.934 120.300 0.302 0.000 2.350 221 Y HA 0.520 5.060 4.550 -0.016 0.000 0.338 221 Y C -1.823 174.275 175.900 0.329 0.000 0.961 221 Y CA -1.875 56.344 58.100 0.199 0.000 1.100 221 Y CB 1.220 39.708 38.460 0.047 0.000 1.179 221 Y HN 0.694 nan 8.280 nan 0.000 0.454 222 Y N 7.822 127.747 120.300 -0.625 0.000 2.367 222 Y HA 0.314 4.854 4.550 -0.016 0.000 0.342 222 Y C 0.524 175.793 175.900 -1.052 0.000 0.979 222 Y CA -1.631 56.137 58.100 -0.552 0.000 1.161 222 Y CB 0.535 38.898 38.460 -0.161 0.000 1.155 222 Y HN 0.703 nan 8.280 nan 0.000 0.503 223 I N 4.524 124.492 120.570 -1.003 0.000 2.399 223 I HA -0.319 3.841 4.170 -0.016 0.000 0.254 223 I C 0.737 176.271 176.117 -0.972 0.000 1.146 223 I CA 1.588 62.326 61.300 -0.935 0.000 1.412 223 I CB -0.931 36.549 38.000 -0.868 0.000 1.076 223 I HN 0.556 nan 8.210 nan 0.000 0.432 224 Y N -0.495 119.214 120.300 -0.984 0.000 2.485 224 Y HA 0.288 4.828 4.550 -0.016 0.000 0.260 224 Y C 0.845 176.453 175.900 -0.487 0.000 1.173 224 Y CA -1.157 56.524 58.100 -0.698 0.000 1.252 224 Y CB -0.800 37.242 38.460 -0.696 0.000 1.123 224 Y HN 0.049 nan 8.280 nan 0.000 0.524 225 N N 1.931 120.412 118.700 -0.364 0.000 2.399 225 N HA -0.010 4.720 4.740 -0.016 0.000 0.259 225 N C 0.692 176.226 175.510 0.041 0.000 1.160 225 N CA 0.289 53.325 53.050 -0.024 0.000 0.946 225 N CB 0.483 38.997 38.487 0.045 0.000 1.156 225 N HN 0.374 nan 8.380 nan 0.000 0.489 226 E N 2.683 122.913 120.200 0.049 0.000 2.153 226 E HA -0.220 4.121 4.350 -0.016 0.000 0.194 226 E C 1.053 177.683 176.600 0.050 0.000 0.988 226 E CA 1.169 57.596 56.400 0.046 0.000 0.811 226 E CB 0.147 29.869 29.700 0.035 0.000 0.746 226 E HN 0.626 nan 8.360 nan 0.000 0.466 227 K N 0.398 120.832 120.400 0.058 0.000 2.032 227 K HA -0.045 4.265 4.320 -0.016 0.000 0.209 227 K C 1.197 177.817 176.600 0.034 0.000 1.048 227 K CA 0.921 57.233 56.287 0.041 0.000 0.927 227 K CB -0.243 32.282 32.500 0.043 0.000 0.712 227 K HN 0.234 nan 8.250 nan 0.000 0.441 228 G N 0.565 109.422 108.800 0.095 0.000 2.466 228 G HA2 -0.156 3.795 3.960 -0.016 0.000 0.316 228 G HA3 -0.156 3.795 3.960 -0.016 0.000 0.316 228 G C -1.752 173.155 174.900 0.011 0.000 1.270 228 G CA -0.646 44.481 45.100 0.046 0.000 0.982 228 G HN 0.108 nan 8.290 nan 0.000 0.506 229 L N 1.723 122.818 121.223 -0.214 0.000 2.282 229 L HA 0.574 4.904 4.340 -0.016 0.000 0.287 229 L C 0.467 177.260 176.870 -0.128 0.000 1.075 229 L CA -0.409 54.313 54.840 -0.197 0.000 0.839 229 L CB 0.026 41.845 42.059 -0.400 0.000 1.219 229 L HN 0.509 nan 8.230 nan 0.000 0.434 230 E N 4.108 124.285 120.200 -0.039 0.000 2.167 230 E HA 0.434 4.774 4.350 -0.016 0.000 0.284 230 E C -0.962 175.658 176.600 0.033 0.000 1.016 230 E CA -0.543 55.856 56.400 -0.001 0.000 0.817 230 E CB 1.779 31.476 29.700 -0.005 0.000 1.080 230 E HN 0.344 nan 8.360 nan 0.000 0.397 231 V N 3.004 122.966 119.914 0.080 0.000 2.604 231 V HA 0.268 4.379 4.120 -0.016 0.000 0.305 231 V C -0.146 175.977 176.094 0.047 0.000 1.043 231 V CA -0.824 61.527 62.300 0.085 0.000 0.888 231 V CB 2.148 34.065 31.823 0.158 0.000 0.995 231 V HN 0.685 nan 8.190 nan 0.000 0.429 232 T N 5.842 120.411 114.554 0.025 0.000 2.781 232 T HA 0.483 4.823 4.350 -0.016 0.000 0.305 232 T C -0.049 174.652 174.700 0.002 0.000 1.001 232 T CA -0.249 61.858 62.100 0.010 0.000 0.950 232 T CB 0.304 69.175 68.868 0.004 0.000 0.955 232 T HN 0.340 nan 8.240 nan 0.000 0.471 233 I N 4.631 125.197 120.570 -0.006 0.000 2.294 233 I HA 0.159 4.319 4.170 -0.016 0.000 0.295 233 I C 0.666 176.772 176.117 -0.019 0.000 1.098 233 I CA -0.188 61.102 61.300 -0.016 0.000 1.277 233 I CB -0.455 37.527 38.000 -0.031 0.000 1.434 233 I HN 0.518 nan 8.210 nan 0.000 0.498 234 T N 5.390 119.937 114.554 -0.012 0.000 2.837 234 T HA 0.686 5.026 4.350 -0.016 0.000 0.285 234 T C 0.192 174.886 174.700 -0.010 0.000 0.984 234 T CA -0.573 61.519 62.100 -0.014 0.000 1.049 234 T CB 1.963 70.827 68.868 -0.007 0.000 0.947 234 T HN 0.714 nan 8.240 nan 0.000 0.472 235 A N 3.675 126.479 122.820 -0.026 0.000 2.402 235 A HA 0.753 5.064 4.320 -0.016 0.000 0.291 235 A C -0.434 177.104 177.584 -0.078 0.000 1.051 235 A CA -1.174 50.850 52.037 -0.020 0.000 0.716 235 A CB 1.135 20.107 19.000 -0.045 0.000 1.223 235 A HN 0.904 nan 8.150 nan 0.000 0.425 236 R N 1.220 121.688 120.500 -0.054 0.000 2.698 236 R HA 0.756 5.086 4.340 -0.016 0.000 0.275 236 R C -1.364 174.869 176.300 -0.112 0.000 1.001 236 R CA -0.754 55.295 56.100 -0.086 0.000 0.896 236 R CB 0.969 31.258 30.300 -0.018 0.000 1.218 236 R HN 0.334 nan 8.270 nan 0.000 0.462 237 F N 1.477 121.329 119.950 -0.163 0.000 2.490 237 F HA 0.101 4.618 4.527 -0.016 0.000 0.336 237 F C 1.870 177.479 175.800 -0.317 0.000 1.178 237 F CA -0.213 57.585 58.000 -0.337 0.000 1.301 237 F CB 0.495 38.920 39.000 -0.959 0.000 1.175 237 F HN 0.429 nan 8.300 nan 0.000 0.593 238 L N 1.207 122.422 121.223 -0.013 0.000 2.127 238 L HA -0.256 4.074 4.340 -0.016 0.000 0.211 238 L C 1.678 178.606 176.870 0.096 0.000 1.089 238 L CA 1.381 56.264 54.840 0.071 0.000 0.757 238 L CB -0.791 41.368 42.059 0.167 0.000 0.899 238 L HN 0.729 nan 8.230 nan 0.000 0.434 239 Y N -1.615 118.787 120.300 0.169 0.000 2.490 239 Y HA 0.492 5.032 4.550 -0.016 0.000 0.281 239 Y C 1.617 177.575 175.900 0.096 0.000 1.174 239 Y CA 0.112 58.273 58.100 0.101 0.000 1.295 239 Y CB -0.234 38.258 38.460 0.054 0.000 1.062 239 Y HN 0.102 nan 8.280 nan 0.000 0.522 240 G N -0.256 108.541 108.800 -0.004 0.000 2.697 240 G HA2 -0.215 3.735 3.960 -0.016 0.000 0.200 240 G HA3 -0.215 3.735 3.960 -0.016 0.000 0.200 240 G C 0.158 175.076 174.900 0.030 0.000 1.106 240 G CA -0.561 44.562 45.100 0.039 0.000 0.748 240 G HN 0.081 nan 8.290 nan 0.000 0.503 241 K N 2.001 122.418 120.400 0.028 0.000 2.518 241 K HA 0.202 4.512 4.320 -0.016 0.000 0.276 241 K C 0.552 177.254 176.600 0.169 0.000 0.974 241 K CA 0.419 56.760 56.287 0.090 0.000 0.986 241 K CB 0.401 32.943 32.500 0.070 0.000 0.901 241 K HN 0.572 nan 8.250 nan 0.000 0.497 242 K N 0.814 121.292 120.400 0.129 0.000 2.237 242 K HA 0.206 4.517 4.320 -0.016 0.000 0.270 242 K C -0.032 176.629 176.600 0.102 0.000 1.015 242 K CA -0.610 55.723 56.287 0.076 0.000 0.949 242 K CB 0.746 33.269 32.500 0.038 0.000 0.976 242 K HN 0.146 nan 8.250 nan 0.000 0.472 243 V N 2.909 122.767 119.914 -0.094 0.000 2.607 243 V HA 0.080 4.190 4.120 -0.016 0.000 0.289 243 V C 0.057 176.060 176.094 -0.152 0.000 1.053 243 V CA -0.381 61.756 62.300 -0.271 0.000 0.996 243 V CB 1.261 32.678 31.823 -0.677 0.000 0.995 243 V HN 0.666 nan 8.190 nan 0.000 0.476 244 E N 3.125 123.267 120.200 -0.096 0.000 2.145 244 E HA 0.704 5.045 4.350 -0.016 0.000 0.270 244 E C 0.203 176.703 176.600 -0.166 0.000 0.906 244 E CA -0.028 56.353 56.400 -0.033 0.000 0.761 244 E CB 2.020 31.783 29.700 0.106 0.000 1.116 244 E HN 0.914 nan 8.360 nan 0.000 0.408 245 G N 1.321 109.899 108.800 -0.370 0.000 2.435 245 G HA2 0.327 4.277 3.960 -0.016 0.000 0.296 245 G HA3 0.327 4.277 3.960 -0.016 0.000 0.296 245 G C -1.111 173.296 174.900 -0.822 0.000 1.240 245 G CA -0.393 44.178 45.100 -0.882 0.000 0.872 245 G HN 0.293 nan 8.290 nan 0.000 0.480 246 T N 0.174 114.357 114.554 -0.618 0.000 2.886 246 T HA 0.737 5.077 4.350 -0.016 0.000 0.292 246 T C -0.417 174.013 174.700 -0.450 0.000 1.012 246 T CA 0.374 62.203 62.100 -0.450 0.000 0.982 246 T CB 1.526 70.155 68.868 -0.398 0.000 1.018 246 T HN 1.355 nan 8.240 nan 0.000 0.451 247 A N 2.730 125.287 122.820 -0.437 0.000 2.350 247 A HA 0.886 5.196 4.320 -0.016 0.000 0.324 247 A C -1.238 176.037 177.584 -0.515 0.000 1.118 247 A CA -0.637 51.179 52.037 -0.368 0.000 0.783 247 A CB 0.597 19.494 19.000 -0.171 0.000 1.236 247 A HN 0.706 nan 8.150 nan 0.000 0.457 248 F N 1.359 121.286 119.950 -0.038 0.000 2.436 248 F HA 0.597 5.114 4.527 -0.016 0.000 0.340 248 F C 0.270 176.028 175.800 -0.070 0.000 1.113 248 F CA -0.695 57.281 58.000 -0.041 0.000 1.022 248 F CB 2.066 41.048 39.000 -0.030 0.000 1.128 248 F HN 0.396 nan 8.300 nan 0.000 0.466 249 V N 5.697 125.646 119.914 0.058 0.000 2.760 249 V HA 0.713 4.823 4.120 -0.016 0.000 0.309 249 V C -1.514 174.477 176.094 -0.172 0.000 1.077 249 V CA -0.619 61.617 62.300 -0.105 0.000 0.910 249 V CB 1.901 33.611 31.823 -0.187 0.000 1.008 249 V HN 0.812 nan 8.190 nan 0.000 0.424 250 I N 4.801 125.189 120.570 -0.303 0.000 3.074 250 I HA 0.685 4.845 4.170 -0.016 0.000 0.310 250 I C -1.543 174.257 176.117 -0.527 0.000 1.153 250 I CA -0.795 60.353 61.300 -0.254 0.000 0.993 250 I CB 2.478 40.437 38.000 -0.068 0.000 1.237 250 I HN 0.699 nan 8.210 nan 0.000 0.443 251 F N 1.939 121.808 119.950 -0.135 0.000 2.598 251 F HA 0.862 5.380 4.527 -0.016 0.000 0.327 251 F C 0.489 175.996 175.800 -0.489 0.000 1.057 251 F CA -0.513 57.314 58.000 -0.287 0.000 0.957 251 F CB 2.145 41.005 39.000 -0.234 0.000 1.278 251 F HN 0.389 nan 8.300 nan 0.000 0.484 252 G N 0.512 108.887 108.800 -0.708 0.000 2.677 252 G HA2 0.681 4.632 3.960 -0.016 0.000 0.291 252 G HA3 0.681 4.632 3.960 -0.016 0.000 0.291 252 G C -2.080 172.465 174.900 -0.592 0.000 1.435 252 G CA -0.725 43.814 45.100 -0.936 0.000 0.826 252 G HN 0.525 nan 8.290 nan 0.000 0.491 253 I N 0.564 121.046 120.570 -0.147 0.000 2.406 253 I HA 0.424 4.584 4.170 -0.016 0.000 0.290 253 I C -0.101 176.123 176.117 0.179 0.000 0.999 253 I CA -0.585 60.729 61.300 0.023 0.000 1.124 253 I CB 2.178 40.180 38.000 0.003 0.000 1.289 253 I HN 0.402 nan 8.210 nan 0.000 0.441 254 Q N 4.889 124.809 119.800 0.199 0.000 2.309 254 Q HA 0.478 4.808 4.340 -0.016 0.000 0.264 254 Q C -1.666 174.397 176.000 0.104 0.000 1.008 254 Q CA -0.538 55.371 55.803 0.176 0.000 0.853 254 Q CB 2.101 30.953 28.738 0.190 0.000 1.314 254 Q HN 0.634 nan 8.270 nan 0.000 0.448 255 D N 1.885 122.331 120.400 0.078 0.000 2.229 255 D HA 0.236 4.866 4.640 -0.016 0.000 0.209 255 D C -0.455 175.871 176.300 0.044 0.000 1.295 255 D CA 0.105 54.139 54.000 0.057 0.000 0.913 255 D CB 0.346 41.177 40.800 0.052 0.000 1.581 255 D HN 0.606 nan 8.370 nan 0.000 0.502 256 G N 1.986 110.809 108.800 0.037 0.000 2.747 256 G HA2 0.055 4.005 3.960 -0.016 0.000 0.202 256 G HA3 0.055 4.005 3.960 -0.016 0.000 0.202 256 G C 0.797 175.716 174.900 0.032 0.000 1.090 256 G CA -0.023 45.100 45.100 0.039 0.000 0.779 256 G HN 0.356 nan 8.290 nan 0.000 0.535 257 E N -0.270 119.943 120.200 0.022 0.000 2.473 257 E HA 0.175 4.516 4.350 -0.016 0.000 0.204 257 E C 0.971 177.575 176.600 0.007 0.000 0.994 257 E CA -0.203 56.202 56.400 0.009 0.000 0.945 257 E CB 0.512 30.215 29.700 0.005 0.000 0.990 257 E HN 0.405 nan 8.360 nan 0.000 0.493 258 Q N 1.610 121.423 119.800 0.021 0.000 2.256 258 Q HA 0.288 4.618 4.340 -0.016 0.000 0.254 258 Q C -0.634 175.397 176.000 0.051 0.000 0.916 258 Q CA -0.398 55.421 55.803 0.027 0.000 0.932 258 Q CB 0.785 29.540 28.738 0.029 0.000 1.207 258 Q HN -0.006 nan 8.270 nan 0.000 0.426 259 R N 3.464 123.997 120.500 0.054 0.000 2.589 259 R HA 0.530 4.860 4.340 -0.016 0.000 0.293 259 R C -0.718 175.670 176.300 0.147 0.000 0.963 259 R CA -0.784 55.393 56.100 0.128 0.000 0.905 259 R CB 1.306 31.634 30.300 0.045 0.000 1.144 259 R HN 0.577 nan 8.270 nan 0.000 0.459 260 I N 1.617 122.301 120.570 0.191 0.000 2.418 260 I HA 0.151 4.311 4.170 -0.016 0.000 0.287 260 I C 0.220 176.411 176.117 0.124 0.000 1.008 260 I CA -0.371 61.002 61.300 0.122 0.000 1.104 260 I CB 1.591 39.631 38.000 0.067 0.000 1.264 260 I HN 0.509 nan 8.210 nan 0.000 0.438 261 S N 6.963 122.734 115.700 0.117 0.000 2.545 261 S HA 0.497 4.957 4.470 -0.016 0.000 0.275 261 S C -0.167 174.446 174.600 0.022 0.000 1.299 261 S CA -0.521 57.729 58.200 0.084 0.000 1.048 261 S CB 0.391 63.652 63.200 0.102 0.000 0.938 261 S HN 0.446 nan 8.310 nan 0.000 0.496 262 L N 8.021 129.238 121.223 -0.010 0.000 2.315 262 L HA 0.313 4.644 4.340 -0.016 0.000 0.278 262 L C -1.290 175.592 176.870 0.020 0.000 1.088 262 L CA -1.748 53.091 54.840 -0.002 0.000 0.899 262 L CB 0.958 43.008 42.059 -0.016 0.000 1.277 262 L HN 0.595 nan 8.230 nan 0.000 0.431 263 P HA -0.202 nan 4.420 nan 0.000 0.217 263 P C 0.995 178.312 177.300 0.028 0.000 1.150 263 P CA 1.126 64.240 63.100 0.022 0.000 0.832 263 P CB 0.388 32.097 31.700 0.016 0.000 0.787 264 E N 0.334 120.547 120.200 0.022 0.000 2.511 264 E HA -0.027 4.313 4.350 -0.016 0.000 0.196 264 E C 1.178 177.800 176.600 0.036 0.000 1.066 264 E CA 0.328 56.741 56.400 0.022 0.000 0.871 264 E CB -0.029 29.675 29.700 0.007 0.000 0.863 264 E HN 0.250 nan 8.360 nan 0.000 0.520 265 S N -0.237 115.501 115.700 0.064 0.000 2.556 265 S HA 0.057 4.517 4.470 -0.016 0.000 0.216 265 S C 0.521 175.219 174.600 0.164 0.000 0.970 265 S CA -0.570 57.711 58.200 0.134 0.000 0.912 265 S CB 0.044 63.381 63.200 0.230 0.000 0.790 265 S HN 0.141 nan 8.310 nan 0.000 0.504 266 L N 3.511 124.791 121.223 0.094 0.000 2.500 266 L HA 0.377 4.707 4.340 -0.016 0.000 0.272 266 L C -0.340 176.584 176.870 0.091 0.000 1.149 266 L CA 0.551 55.438 54.840 0.079 0.000 0.897 266 L CB -0.019 42.076 42.059 0.059 0.000 1.178 266 L HN 0.089 nan 8.230 nan 0.000 0.473 267 K N 5.471 125.927 120.400 0.094 0.000 2.340 267 K HA 0.496 4.807 4.320 -0.016 0.000 0.244 267 K C -0.917 175.731 176.600 0.080 0.000 0.973 267 K CA -0.919 55.417 56.287 0.082 0.000 0.828 267 K CB 2.479 35.025 32.500 0.077 0.000 1.226 267 K HN 0.533 nan 8.250 nan 0.000 0.437 268 R N 2.683 123.205 120.500 0.037 0.000 2.409 268 R HA 0.424 4.754 4.340 -0.016 0.000 0.313 268 R C -0.741 175.495 176.300 -0.107 0.000 0.953 268 R CA -0.452 55.606 56.100 -0.070 0.000 0.849 268 R CB 0.496 30.784 30.300 -0.021 0.000 1.171 268 R HN 0.694 nan 8.270 nan 0.000 0.458 269 I N 1.689 122.158 120.570 -0.168 0.000 2.545 269 I HA 0.612 4.772 4.170 -0.016 0.000 0.292 269 I C -2.573 173.459 176.117 -0.141 0.000 1.040 269 I CA -3.009 58.224 61.300 -0.113 0.000 1.068 269 I CB 2.393 40.349 38.000 -0.073 0.000 1.251 269 I HN 0.411 nan 8.210 nan 0.000 0.424 270 P HA 0.215 nan 4.420 nan 0.000 0.276 270 P C -0.641 176.621 177.300 -0.065 0.000 1.243 270 P CA -0.038 63.029 63.100 -0.056 0.000 0.768 270 P CB 0.996 32.698 31.700 0.003 0.000 0.856 271 I N 3.658 124.165 120.570 -0.105 0.000 2.282 271 I HA 0.283 4.443 4.170 -0.016 0.000 0.290 271 I C 0.753 176.838 176.117 -0.053 0.000 1.090 271 I CA -0.218 61.020 61.300 -0.102 0.000 1.231 271 I CB -0.637 37.261 38.000 -0.168 0.000 1.434 271 I HN 0.289 nan 8.210 nan 0.000 0.487 272 E N 3.924 124.112 120.200 -0.020 0.000 2.183 272 E HA 0.223 4.564 4.350 -0.016 0.000 0.271 272 E C -0.337 176.259 176.600 -0.006 0.000 0.919 272 E CA -0.601 55.802 56.400 0.004 0.000 0.781 272 E CB 1.306 31.014 29.700 0.014 0.000 1.140 272 E HN 0.372 nan 8.360 nan 0.000 0.402 273 D N 2.088 122.490 120.400 0.003 0.000 2.708 273 D HA -0.187 4.443 4.640 -0.016 0.000 0.236 273 D C 0.598 176.894 176.300 -0.007 0.000 1.146 273 D CA 1.650 55.652 54.000 0.004 0.000 0.662 273 D CB -1.130 39.674 40.800 0.006 0.000 1.059 273 D HN 0.907 nan 8.370 nan 0.000 0.428 274 G N -1.316 107.469 108.800 -0.025 0.000 2.198 274 G HA2 -0.177 3.774 3.960 -0.016 0.000 0.260 274 G HA3 -0.177 3.774 3.960 -0.016 0.000 0.260 274 G C 0.221 175.098 174.900 -0.038 0.000 1.025 274 G CA 0.985 46.060 45.100 -0.042 0.000 0.769 274 G HN 1.133 nan 8.290 nan 0.000 0.507 275 S N -1.873 113.805 115.700 -0.037 0.000 2.588 275 S HA 0.895 5.356 4.470 -0.016 0.000 0.269 275 S C -0.212 174.368 174.600 -0.033 0.000 1.157 275 S CA 0.633 58.816 58.200 -0.029 0.000 0.824 275 S CB 1.748 64.939 63.200 -0.016 0.000 1.126 275 S HN 1.929 nan 8.310 nan 0.000 0.464 276 G N 1.208 109.992 108.800 -0.028 0.000 2.702 276 G HA2 0.542 4.492 3.960 -0.016 0.000 0.296 276 G HA3 0.542 4.492 3.960 -0.016 0.000 0.296 276 G C -2.207 172.684 174.900 -0.014 0.000 1.463 276 G CA -0.467 44.616 45.100 -0.028 0.000 0.890 276 G HN 0.581 nan 8.290 nan 0.000 0.534 277 E N -0.458 119.738 120.200 -0.007 0.000 2.199 277 E HA 0.697 5.037 4.350 -0.016 0.000 0.269 277 E C -1.152 175.459 176.600 0.019 0.000 0.899 277 E CA -0.655 55.750 56.400 0.008 0.000 0.772 277 E CB 2.399 32.103 29.700 0.007 0.000 1.155 277 E HN 0.727 nan 8.360 nan 0.000 0.408 278 V N 4.635 124.577 119.914 0.047 0.000 2.891 278 V HA 0.618 4.728 4.120 -0.016 0.000 0.304 278 V C -1.731 174.449 176.094 0.143 0.000 1.171 278 V CA -0.531 61.821 62.300 0.087 0.000 0.943 278 V CB 2.044 33.919 31.823 0.088 0.000 1.037 278 V HN 0.501 nan 8.190 nan 0.000 0.427 279 V N 6.666 126.644 119.914 0.106 0.000 2.656 279 V HA 0.531 4.641 4.120 -0.016 0.000 0.307 279 V C -0.533 175.485 176.094 -0.126 0.000 1.051 279 V CA -0.752 61.553 62.300 0.008 0.000 0.893 279 V CB 1.686 33.494 31.823 -0.025 0.000 0.999 279 V HN 0.821 nan 8.190 nan 0.000 0.426 280 L N 5.224 126.159 121.223 -0.480 0.000 2.282 280 L HA 0.524 4.854 4.340 -0.016 0.000 0.287 280 L C 0.689 177.312 176.870 -0.412 0.000 1.075 280 L CA 0.171 54.587 54.840 -0.707 0.000 0.839 280 L CB 0.771 41.912 42.059 -1.529 0.000 1.219 280 L HN 0.842 nan 8.230 nan 0.000 0.434 281 S N 3.541 119.097 115.700 -0.240 0.000 2.549 281 S HA 0.204 4.664 4.470 -0.016 0.000 0.279 281 S C 1.283 175.788 174.600 -0.159 0.000 1.321 281 S CA -0.292 57.818 58.200 -0.151 0.000 1.054 281 S CB 0.814 63.963 63.200 -0.085 0.000 0.899 281 S HN 0.825 nan 8.310 nan 0.000 0.497 282 R N 1.599 122.037 120.500 -0.103 0.000 2.119 282 R HA -0.223 4.107 4.340 -0.016 0.000 0.246 282 R C 2.071 178.328 176.300 -0.071 0.000 1.146 282 R CA 1.998 58.055 56.100 -0.071 0.000 0.962 282 R CB -0.379 29.935 30.300 0.024 0.000 0.863 282 R HN 0.742 nan 8.270 nan 0.000 0.442 283 K N 0.085 120.452 120.400 -0.054 0.000 2.000 283 K HA -0.167 4.143 4.320 -0.016 0.000 0.218 283 K C 1.804 178.370 176.600 -0.057 0.000 1.053 283 K CA 2.287 58.548 56.287 -0.043 0.000 0.946 283 K CB -0.693 31.787 32.500 -0.033 0.000 0.723 283 K HN 0.100 nan 8.250 nan 0.000 0.446 284 V N 1.009 120.878 119.914 -0.076 0.000 2.287 284 V HA -0.255 3.856 4.120 -0.016 0.000 0.248 284 V C 2.340 178.378 176.094 -0.093 0.000 1.053 284 V CA 1.884 64.138 62.300 -0.076 0.000 1.027 284 V CB -0.691 31.080 31.823 -0.086 0.000 0.646 284 V HN 0.395 nan 8.190 nan 0.000 0.447 285 L N 0.025 121.163 121.223 -0.141 0.000 1.971 285 L HA -0.180 4.150 4.340 -0.016 0.000 0.215 285 L C 2.214 179.030 176.870 -0.091 0.000 1.072 285 L CA 2.048 56.796 54.840 -0.154 0.000 0.758 285 L CB -0.692 41.224 42.059 -0.239 0.000 0.889 285 L HN 0.231 nan 8.230 nan 0.000 0.433 286 L N -0.638 120.544 121.223 -0.068 0.000 2.275 286 L HA -0.162 4.168 4.340 -0.016 0.000 0.215 286 L C 1.958 178.810 176.870 -0.030 0.000 1.119 286 L CA 0.855 55.672 54.840 -0.039 0.000 0.790 286 L CB -0.796 41.248 42.059 -0.024 0.000 0.919 286 L HN 0.320 nan 8.230 nan 0.000 0.443 287 D N 0.221 120.601 120.400 -0.033 0.000 2.194 287 D HA -0.063 4.567 4.640 -0.016 0.000 0.204 287 D C 2.084 178.372 176.300 -0.021 0.000 0.964 287 D CA 1.154 55.140 54.000 -0.023 0.000 0.846 287 D CB -0.110 40.676 40.800 -0.022 0.000 0.962 287 D HN 0.268 nan 8.370 nan 0.000 0.490 288 G N 0.315 109.098 108.800 -0.029 0.000 3.061 288 G HA2 0.232 4.182 3.960 -0.016 0.000 0.208 288 G HA3 0.232 4.182 3.960 -0.016 0.000 0.208 288 G C 0.579 175.469 174.900 -0.017 0.000 1.175 288 G CA 0.499 45.585 45.100 -0.023 0.000 0.812 288 G HN 0.226 nan 8.290 nan 0.000 0.523 294 A N 2.318 125.143 122.820 0.008 0.000 1.929 294 A HA -0.082 4.229 4.320 -0.016 0.000 0.216 294 A C 1.140 178.693 177.584 -0.051 0.000 1.176 294 A CA 1.344 53.365 52.037 -0.026 0.000 0.628 294 A CB -0.169 18.807 19.000 -0.041 0.000 0.816 294 A HN 0.754 nan 8.150 nan 0.000 0.444 295 E N 0.798 120.986 120.200 -0.020 0.000 2.409 295 E HA -0.100 4.240 4.350 -0.016 0.000 0.198 295 E C 0.845 177.441 176.600 -0.007 0.000 1.024 295 E CA 0.828 57.217 56.400 -0.019 0.000 0.861 295 E CB -0.183 29.540 29.700 0.037 0.000 0.788 295 E HN 0.498 nan 8.360 nan 0.000 0.521 296 D N -0.381 120.018 120.400 -0.001 0.000 2.348 296 D HA -0.033 4.597 4.640 -0.016 0.000 0.216 296 D C 1.223 177.526 176.300 0.006 0.000 0.970 296 D CA 0.510 54.513 54.000 0.006 0.000 0.889 296 D CB 0.225 41.030 40.800 0.008 0.000 0.912 296 D HN 0.267 nan 8.370 nan 0.000 0.524 297 L N 0.201 121.422 121.223 -0.003 0.000 2.529 297 L HA 0.086 4.416 4.340 -0.016 0.000 0.223 297 L C 0.438 177.318 176.870 0.018 0.000 1.113 297 L CA -0.013 54.832 54.840 0.009 0.000 0.861 297 L CB 0.476 42.540 42.059 0.009 0.000 1.012 297 L HN -0.231 nan 8.230 nan 0.000 0.461 298 V N 0.891 120.806 119.914 0.001 0.000 2.572 298 V HA 0.343 4.453 4.120 -0.016 0.000 0.291 298 V C 1.266 177.374 176.094 0.024 0.000 1.039 298 V CA 0.976 63.280 62.300 0.007 0.000 1.055 298 V CB 0.445 32.262 31.823 -0.009 0.000 0.969 298 V HN 0.594 nan 8.190 nan 0.000 0.482 299 G N 4.277 113.098 108.800 0.035 0.000 2.349 299 G HA2 -0.189 3.761 3.960 -0.016 0.000 0.213 299 G HA3 -0.189 3.761 3.960 -0.016 0.000 0.213 299 G C 0.387 175.318 174.900 0.052 0.000 1.044 299 G CA 0.007 45.132 45.100 0.041 0.000 0.633 299 G HN 0.594 nan 8.290 nan 0.000 0.506 300 K N 1.041 121.473 120.400 0.053 0.000 2.136 300 K HA 0.598 4.908 4.320 -0.016 0.000 0.237 300 K C 0.666 177.314 176.600 0.081 0.000 1.048 300 K CA 0.422 56.746 56.287 0.063 0.000 0.880 300 K CB 0.888 33.420 32.500 0.054 0.000 1.105 300 K HN 0.639 nan 8.250 nan 0.000 0.507 301 S N -0.463 115.293 115.700 0.093 0.000 2.704 301 S HA 0.622 5.082 4.470 -0.016 0.000 0.296 301 S C -0.902 173.763 174.600 0.108 0.000 1.138 301 S CA -1.060 57.207 58.200 0.112 0.000 0.875 301 S CB 0.904 64.178 63.200 0.122 0.000 1.151 301 S HN 0.394 nan 8.310 nan 0.000 0.500 302 L N 1.591 122.880 121.223 0.110 0.000 2.354 302 L HA 0.667 4.997 4.340 -0.016 0.000 0.269 302 L C -1.347 175.620 176.870 0.161 0.000 1.005 302 L CA -1.075 53.803 54.840 0.063 0.000 0.819 302 L CB 1.900 43.959 42.059 -0.001 0.000 1.311 302 L HN 0.944 nan 8.230 nan 0.000 0.423 303 Y N 0.213 120.570 120.300 0.095 0.000 2.512 303 Y HA 0.804 5.344 4.550 -0.016 0.000 0.348 303 Y C -1.077 174.858 175.900 0.058 0.000 0.990 303 Y CA -1.339 56.802 58.100 0.067 0.000 1.033 303 Y CB 1.374 39.853 38.460 0.031 0.000 1.259 303 Y HN 0.122 nan 8.280 nan 0.000 0.461 304 V N 2.589 122.585 119.914 0.137 0.000 2.409 304 V HA 0.495 4.606 4.120 -0.016 0.000 0.291 304 V C -0.354 175.708 176.094 -0.054 0.000 1.020 304 V CA -0.666 61.558 62.300 -0.126 0.000 0.848 304 V CB 1.264 33.010 31.823 -0.128 0.000 0.990 304 V HN 0.878 nan 8.190 nan 0.000 0.430 305 S N 4.033 119.662 115.700 -0.119 0.000 2.438 305 S HA 0.801 5.261 4.470 -0.016 0.000 0.316 305 S C -0.125 174.424 174.600 -0.084 0.000 1.084 305 S CA -0.123 58.055 58.200 -0.036 0.000 1.107 305 S CB 0.883 64.105 63.200 0.037 0.000 0.981 305 S HN 1.160 nan 8.310 nan 0.000 0.466 306 A N 4.039 126.833 122.820 -0.044 0.000 2.337 306 A HA 0.793 5.104 4.320 -0.016 0.000 0.329 306 A C -0.307 177.293 177.584 0.027 0.000 1.146 306 A CA -0.687 51.337 52.037 -0.022 0.000 0.800 306 A CB 1.283 20.265 19.000 -0.031 0.000 1.220 306 A HN 0.743 nan 8.150 nan 0.000 0.472 307 T N 1.819 116.425 114.554 0.086 0.000 3.078 307 T HA 0.430 4.770 4.350 -0.016 0.000 0.328 307 T C -0.889 173.921 174.700 0.184 0.000 0.987 307 T CA -0.286 61.904 62.100 0.150 0.000 1.049 307 T CB 0.791 69.783 68.868 0.207 0.000 1.011 307 T HN 0.444 nan 8.240 nan 0.000 0.463 308 V N 4.902 124.902 119.914 0.142 0.000 2.394 308 V HA 0.538 4.648 4.120 -0.016 0.000 0.282 308 V C -0.115 176.088 176.094 0.180 0.000 1.031 308 V CA -0.721 61.646 62.300 0.112 0.000 0.881 308 V CB 1.313 33.228 31.823 0.153 0.000 0.982 308 V HN 0.795 nan 8.190 nan 0.000 0.451 309 I N 5.550 126.138 120.570 0.031 0.000 2.418 309 I HA 0.371 4.531 4.170 -0.016 0.000 0.287 309 I C -0.160 175.866 176.117 -0.153 0.000 1.008 309 I CA -0.587 60.736 61.300 0.039 0.000 1.104 309 I CB 1.778 39.851 38.000 0.121 0.000 1.264 309 I HN 0.391 nan 8.210 nan 0.000 0.438 310 L N 5.907 127.031 121.223 -0.165 0.000 2.525 310 L HA 0.014 4.344 4.340 -0.016 0.000 0.278 310 L C 1.214 178.023 176.870 -0.102 0.000 1.218 310 L CA 0.037 54.741 54.840 -0.227 0.000 0.878 310 L CB -0.065 41.907 42.059 -0.144 0.000 1.127 310 L HN 0.663 nan 8.230 nan 0.000 0.492 311 H N 0.453 119.491 119.070 -0.052 0.000 2.561 311 H HA -0.140 4.406 4.556 -0.016 0.000 0.289 311 H C 1.920 177.251 175.328 0.006 0.000 1.054 311 H CA 1.131 57.166 56.048 -0.021 0.000 1.210 311 H CB 0.244 29.991 29.762 -0.026 0.000 1.353 311 H HN 0.767 nan 8.280 nan 0.000 0.601 312 S N -1.887 113.881 115.700 0.113 0.000 2.486 312 S HA 0.126 4.586 4.470 -0.016 0.000 0.220 312 S C 1.970 176.618 174.600 0.081 0.000 1.011 312 S CA 0.245 58.500 58.200 0.092 0.000 0.921 312 S CB 0.461 63.715 63.200 0.089 0.000 0.785 312 S HN 0.560 nan 8.310 nan 0.000 0.517 313 G N 1.078 109.924 108.800 0.077 0.000 2.155 313 G HA2 -0.295 3.656 3.960 -0.016 0.000 0.257 313 G HA3 -0.295 3.656 3.960 -0.016 0.000 0.257 313 G C 0.770 175.722 174.900 0.086 0.000 0.983 313 G CA 0.555 45.703 45.100 0.081 0.000 0.676 313 G HN 0.637 nan 8.290 nan 0.000 0.528 314 S N -0.728 115.029 115.700 0.096 0.000 2.528 314 S HA 0.325 4.785 4.470 -0.016 0.000 0.219 314 S C 0.395 175.075 174.600 0.133 0.000 0.985 314 S CA 0.825 59.087 58.200 0.104 0.000 0.914 314 S CB 0.500 63.763 63.200 0.105 0.000 0.776 314 S HN 0.637 nan 8.310 nan 0.000 0.526 315 D N -0.001 120.498 120.400 0.166 0.000 2.837 315 D HA 0.468 5.098 4.640 -0.016 0.000 0.220 315 D C -1.257 175.219 176.300 0.294 0.000 1.236 315 D CA -0.281 53.863 54.000 0.240 0.000 0.838 315 D CB 1.503 42.521 40.800 0.362 0.000 1.647 315 D HN 0.042 nan 8.370 nan 0.000 0.486 316 M N 3.518 123.253 119.600 0.226 0.000 2.271 316 M HA 0.583 5.054 4.480 -0.016 0.000 0.285 316 M C -2.147 174.170 176.300 0.029 0.000 1.059 316 M CA -0.595 54.822 55.300 0.195 0.000 0.940 316 M CB 1.696 34.372 32.600 0.126 0.000 1.636 316 M HN 0.153 nan 8.290 nan 0.000 0.460 317 V N 4.437 124.339 119.914 -0.021 0.000 2.604 317 V HA 0.486 4.596 4.120 -0.016 0.000 0.305 317 V C -0.792 175.254 176.094 -0.080 0.000 1.043 317 V CA -0.548 61.609 62.300 -0.238 0.000 0.888 317 V CB 2.256 33.632 31.823 -0.744 0.000 0.995 317 V HN 0.874 nan 8.190 nan 0.000 0.429 318 Q N 2.356 122.108 119.800 -0.080 0.000 2.316 318 Q HA 0.823 5.153 4.340 -0.016 0.000 0.264 318 Q C -0.457 175.512 176.000 -0.053 0.000 0.987 318 Q CA -0.402 55.378 55.803 -0.038 0.000 0.852 318 Q CB 2.472 31.196 28.738 -0.024 0.000 1.287 318 Q HN 0.931 nan 8.270 nan 0.000 0.448 319 A N 2.372 125.171 122.820 -0.034 0.000 2.483 319 A HA 0.827 5.137 4.320 -0.016 0.000 0.286 319 A C -1.394 176.178 177.584 -0.019 0.000 1.207 319 A CA -0.515 51.502 52.037 -0.033 0.000 0.764 319 A CB 2.184 21.164 19.000 -0.033 0.000 1.341 319 A HN 0.714 nan 8.150 nan 0.000 0.428 320 E N 0.015 120.208 120.200 -0.012 0.000 2.506 320 E HA 0.372 4.713 4.350 -0.016 0.000 0.308 320 E C -1.552 175.060 176.600 0.019 0.000 0.931 320 E CA -0.572 55.831 56.400 0.005 0.000 0.800 320 E CB 1.377 31.078 29.700 0.001 0.000 1.292 320 E HN 0.634 nan 8.360 nan 0.000 0.401 321 R N 1.955 122.478 120.500 0.039 0.000 2.368 321 R HA 0.560 4.890 4.340 -0.016 0.000 0.302 321 R C -1.108 175.255 176.300 0.104 0.000 1.002 321 R CA 0.010 56.144 56.100 0.057 0.000 0.929 321 R CB 1.282 31.616 30.300 0.056 0.000 1.073 321 R HN 0.503 nan 8.270 nan 0.000 0.464 322 S N 1.683 117.440 115.700 0.094 0.000 2.632 322 S HA 0.676 5.136 4.470 -0.016 0.000 0.289 322 S C 0.205 174.874 174.600 0.114 0.000 1.115 322 S CA -0.433 57.845 58.200 0.129 0.000 0.889 322 S CB 1.725 64.959 63.200 0.056 0.000 1.116 322 S HN 1.194 nan 8.310 nan 0.000 0.486 323 G N 0.711 109.594 108.800 0.138 0.000 2.212 323 G HA2 -0.190 3.760 3.960 -0.016 0.000 0.255 323 G HA3 -0.190 3.760 3.960 -0.016 0.000 0.255 323 G C -0.187 174.785 174.900 0.119 0.000 1.062 323 G CA -0.011 45.158 45.100 0.115 0.000 0.815 323 G HN 0.925 nan 8.290 nan 0.000 0.497 324 I N 1.342 121.991 120.570 0.133 0.000 2.347 324 I HA 0.208 4.368 4.170 -0.016 0.000 0.294 324 I C -1.832 174.380 176.117 0.158 0.000 1.090 324 I CA -1.974 59.409 61.300 0.139 0.000 1.314 324 I CB 0.715 38.790 38.000 0.126 0.000 1.423 324 I HN -0.072 nan 8.210 nan 0.000 0.503 325 P HA 0.233 nan 4.420 nan 0.000 0.275 325 P C -0.377 177.044 177.300 0.201 0.000 1.227 325 P CA -0.143 63.050 63.100 0.156 0.000 0.781 325 P CB 0.715 32.489 31.700 0.124 0.000 0.906 326 I N 3.269 123.938 120.570 0.165 0.000 2.312 326 I HA 0.309 4.470 4.170 -0.016 0.000 0.291 326 I C 0.190 176.351 176.117 0.072 0.000 1.031 326 I CA -0.585 60.818 61.300 0.171 0.000 1.293 326 I CB 0.744 38.846 38.000 0.171 0.000 1.403 326 I HN 0.111 nan 8.210 nan 0.000 0.484 327 V N 1.407 121.345 119.914 0.040 0.000 3.049 327 V HA 0.401 4.512 4.120 -0.016 0.000 0.309 327 V C 0.662 176.774 176.094 0.029 0.000 1.148 327 V CA -0.594 61.697 62.300 -0.014 0.000 0.990 327 V CB 1.356 33.120 31.823 -0.099 0.000 1.039 327 V HN 0.778 nan 8.190 nan 0.000 0.430 328 T N -1.702 112.878 114.554 0.042 0.000 3.055 328 T HA 0.119 4.459 4.350 -0.016 0.000 0.265 328 T C 0.807 175.543 174.700 0.059 0.000 1.111 328 T CA 1.046 63.250 62.100 0.173 0.000 1.118 328 T CB 0.018 68.977 68.868 0.152 0.000 0.909 328 T HN 1.089 nan 8.240 nan 0.000 0.501 329 S N 1.443 117.078 115.700 -0.110 0.000 2.557 329 S HA 0.546 5.006 4.470 -0.016 0.000 0.291 329 S C -2.713 171.611 174.600 -0.460 0.000 1.116 329 S CA -1.562 56.501 58.200 -0.227 0.000 0.992 329 S CB 1.994 65.128 63.200 -0.109 0.000 1.028 329 S HN -0.057 nan 8.310 nan 0.000 0.484 330 P HA 0.213 nan 4.420 nan 0.000 0.253 330 P C -1.082 175.495 177.300 -1.204 0.000 1.281 330 P CA 0.564 62.919 63.100 -1.242 0.000 0.792 330 P CB -0.306 30.654 31.700 -1.233 0.000 1.193 331 Y N -1.606 118.504 120.300 -0.317 0.000 2.644 331 Y HA 0.529 5.070 4.550 -0.016 0.000 0.338 331 Y C 0.241 176.021 175.900 -0.200 0.000 1.119 331 Y CA -0.975 56.988 58.100 -0.228 0.000 1.060 331 Y CB 1.481 39.821 38.460 -0.200 0.000 1.294 331 Y HN -0.314 nan 8.280 nan 0.000 0.472 332 Q N 1.245 121.040 119.800 -0.008 0.000 2.397 332 Q HA 0.711 5.041 4.340 -0.016 0.000 0.275 332 Q C -1.594 174.212 176.000 -0.323 0.000 1.090 332 Q CA -0.851 54.854 55.803 -0.163 0.000 0.809 332 Q CB 3.448 32.133 28.738 -0.088 0.000 1.362 332 Q HN 0.527 nan 8.270 nan 0.000 0.431 333 I N 1.699 121.952 120.570 -0.528 0.000 2.433 333 I HA 0.396 4.556 4.170 -0.016 0.000 0.292 333 I C -1.102 174.520 176.117 -0.825 0.000 1.001 333 I CA -0.662 60.305 61.300 -0.556 0.000 1.119 333 I CB 1.363 39.107 38.000 -0.427 0.000 1.289 333 I HN 0.601 nan 8.210 nan 0.000 0.438 334 H N 5.177 124.070 119.070 -0.295 0.000 2.679 334 H HA 0.380 4.926 4.556 -0.016 0.000 0.360 334 H C -0.799 174.372 175.328 -0.261 0.000 1.105 334 H CA -0.488 55.458 56.048 -0.170 0.000 1.196 334 H CB 1.564 31.403 29.762 0.128 0.000 1.636 334 H HN 0.404 nan 8.280 nan 0.000 0.531 335 F N 0.422 120.503 119.950 0.218 0.000 2.684 335 F HA 0.067 4.585 4.527 -0.016 0.000 0.298 335 F C 1.875 177.768 175.800 0.154 0.000 1.120 335 F CA -0.155 57.936 58.000 0.152 0.000 1.332 335 F CB 0.023 39.090 39.000 0.112 0.000 0.986 335 F HN 0.612 nan 8.300 nan 0.000 0.524 336 T N -3.322 111.406 114.554 0.290 0.000 3.051 336 T HA -0.117 4.223 4.350 -0.016 0.000 0.269 336 T C 1.556 176.387 174.700 0.217 0.000 1.127 336 T CA 1.098 63.336 62.100 0.231 0.000 1.107 336 T CB -0.159 68.813 68.868 0.174 0.000 0.898 336 T HN 0.283 nan 8.240 nan 0.000 0.517 337 K N 0.309 120.791 120.400 0.135 0.000 2.355 337 K HA 0.174 4.484 4.320 -0.016 0.000 0.198 337 K C 0.037 176.672 176.600 0.059 0.000 1.039 337 K CA 0.034 56.316 56.287 -0.009 0.000 1.075 337 K CB 0.823 33.172 32.500 -0.250 0.000 0.870 337 K HN 0.233 nan 8.250 nan 0.000 0.540 338 T N 3.479 118.136 114.554 0.173 0.000 2.845 338 T HA 0.259 4.600 4.350 -0.016 0.000 0.288 338 T C -2.605 172.235 174.700 0.232 0.000 0.980 338 T CA -1.709 60.496 62.100 0.175 0.000 1.071 338 T CB 1.574 70.580 68.868 0.230 0.000 0.941 338 T HN -0.127 nan 8.240 nan 0.000 0.487 339 P HA 0.213 nan 4.420 nan 0.000 0.272 339 P C 0.360 177.824 177.300 0.274 0.000 1.230 339 P CA -0.479 62.799 63.100 0.297 0.000 0.788 339 P CB 0.569 32.480 31.700 0.353 0.000 0.949 340 K N 1.008 121.458 120.400 0.083 0.000 2.437 340 K HA 0.186 4.497 4.320 -0.016 0.000 0.205 340 K C -0.568 175.695 176.600 -0.562 0.000 1.026 340 K CA 0.137 56.279 56.287 -0.242 0.000 1.153 340 K CB -0.036 32.226 32.500 -0.397 0.000 0.863 340 K HN 0.521 nan 8.250 nan 0.000 0.502 341 Y N 0.229 120.577 120.300 0.080 0.000 2.396 341 Y HA 0.279 4.819 4.550 -0.016 0.000 0.332 341 Y C -0.075 175.828 175.900 0.006 0.000 1.034 341 Y CA -1.801 56.300 58.100 0.001 0.000 1.057 341 Y CB 1.099 39.573 38.460 0.024 0.000 1.220 341 Y HN -0.043 nan 8.280 nan 0.000 0.440 342 F N -0.374 119.529 119.950 -0.079 0.000 2.525 342 F HA 0.921 5.438 4.527 -0.018 0.000 0.346 342 F C -0.999 174.785 175.800 -0.026 0.000 1.072 342 F CA -1.624 56.279 58.000 -0.163 0.000 1.033 342 F CB 0.999 39.692 39.000 -0.511 0.000 1.324 342 F HN 0.081 nan 8.300 nan 0.000 0.491 343 K N 1.349 121.775 120.400 0.044 0.000 2.449 343 K HA 0.413 4.723 4.320 -0.016 0.000 0.257 343 K C -2.832 173.628 176.600 -0.233 0.000 0.989 343 K CA -2.002 54.105 56.287 -0.300 0.000 0.916 343 K CB 0.978 33.301 32.500 -0.295 0.000 1.136 343 K HN 0.205 nan 8.250 nan 0.000 0.439 344 P HA -0.078 nan 4.420 nan 0.000 0.255 344 P C 0.775 178.023 177.300 -0.087 0.000 1.161 344 P CA 1.207 64.357 63.100 0.083 0.000 0.768 344 P CB 0.455 32.172 31.700 0.027 0.000 0.746 345 G N 2.581 111.378 108.800 -0.005 0.000 2.234 345 G HA2 -0.237 3.714 3.960 -0.016 0.000 0.235 345 G HA3 -0.237 3.714 3.960 -0.016 0.000 0.235 345 G C 0.153 174.999 174.900 -0.090 0.000 0.997 345 G CA -0.315 44.754 45.100 -0.051 0.000 0.623 345 G HN 0.448 nan 8.290 nan 0.000 0.514 346 M N 1.357 120.884 119.600 -0.122 0.000 2.314 346 M HA 0.396 4.866 4.480 -0.016 0.000 0.342 346 M C -2.344 173.859 176.300 -0.162 0.000 1.171 346 M CA -1.826 53.375 55.300 -0.165 0.000 1.098 346 M CB 0.817 33.273 32.600 -0.240 0.000 1.559 346 M HN -0.151 nan 8.290 nan 0.000 0.459 347 P HA -0.070 nan 4.420 nan 0.000 0.263 347 P C -1.257 175.982 177.300 -0.103 0.000 1.175 347 P CA 0.410 63.424 63.100 -0.144 0.000 0.761 347 P CB 0.132 31.748 31.700 -0.140 0.000 0.794 348 F N 3.481 123.348 119.950 -0.138 0.000 2.467 348 F HA 0.350 4.867 4.527 -0.017 0.000 0.336 348 F C -0.592 175.204 175.800 -0.007 0.000 1.123 348 F CA -1.113 56.855 58.000 -0.052 0.000 0.964 348 F CB 0.986 39.954 39.000 -0.054 0.000 1.136 348 F HN 0.142 nan 8.300 nan 0.000 0.447 349 D N 6.312 126.400 120.400 -0.521 0.000 2.225 349 D HA 0.425 5.055 4.640 -0.016 0.000 0.248 349 D C -0.802 175.030 176.300 -0.781 0.000 1.096 349 D CA 0.064 53.778 54.000 -0.478 0.000 0.863 349 D CB 1.924 42.607 40.800 -0.195 0.000 1.156 349 D HN 0.373 nan 8.370 nan 0.000 0.450 350 L N 2.122 123.060 121.223 -0.476 0.000 2.329 350 L HA 0.391 4.722 4.340 -0.016 0.000 0.279 350 L C -0.102 176.701 176.870 -0.112 0.000 1.014 350 L CA -0.518 54.145 54.840 -0.295 0.000 0.814 350 L CB 1.332 43.316 42.059 -0.125 0.000 1.257 350 L HN 0.144 nan 8.230 nan 0.000 0.424 351 M N 3.925 123.509 119.600 -0.027 0.000 2.385 351 M HA 0.319 4.789 4.480 -0.016 0.000 0.346 351 M C -0.689 175.654 176.300 0.072 0.000 1.180 351 M CA -0.622 54.669 55.300 -0.014 0.000 1.154 351 M CB 0.706 33.257 32.600 -0.080 0.000 1.251 351 M HN 0.112 nan 8.290 nan 0.000 0.430 352 V N 3.336 123.281 119.914 0.052 0.000 2.614 352 V HA 0.226 4.336 4.120 -0.016 0.000 0.291 352 V C -0.439 175.690 176.094 0.058 0.000 1.049 352 V CA -0.181 62.110 62.300 -0.015 0.000 1.038 352 V CB 0.901 32.684 31.823 -0.068 0.000 0.980 352 V HN 0.563 nan 8.190 nan 0.000 0.481 353 F N 5.683 125.553 119.950 -0.134 0.000 2.430 353 F HA 0.575 5.093 4.527 -0.016 0.000 0.362 353 F C -0.362 175.442 175.800 0.008 0.000 1.103 353 F CA -0.839 57.133 58.000 -0.047 0.000 1.045 353 F CB 1.311 40.307 39.000 -0.007 0.000 1.276 353 F HN 0.224 nan 8.300 nan 0.000 0.444 354 V N 5.541 125.238 119.914 -0.361 0.000 2.364 354 V HA 0.378 4.489 4.120 -0.016 0.000 0.272 354 V C 0.249 176.105 176.094 -0.397 0.000 1.036 354 V CA -0.262 61.843 62.300 -0.325 0.000 0.880 354 V CB 1.194 32.856 31.823 -0.268 0.000 0.991 354 V HN 0.825 nan 8.190 nan 0.000 0.460 355 T N 2.041 116.437 114.554 -0.265 0.000 2.952 355 T HA 0.482 4.822 4.350 -0.016 0.000 0.286 355 T C -0.150 174.551 174.700 0.001 0.000 1.024 355 T CA -0.975 61.014 62.100 -0.185 0.000 1.029 355 T CB 1.410 70.191 68.868 -0.146 0.000 1.094 355 T HN 0.442 nan 8.240 nan 0.000 0.515 356 N N 1.987 120.691 118.700 0.007 0.000 2.524 356 N HA 0.250 4.980 4.740 -0.016 0.000 0.283 356 N C -1.834 173.671 175.510 -0.009 0.000 1.142 356 N CA -1.798 51.245 53.050 -0.012 0.000 0.984 356 N CB 1.304 39.814 38.487 0.038 0.000 1.155 356 N HN 0.401 nan 8.380 nan 0.000 0.467 357 P HA -0.213 nan 4.420 nan 0.000 0.218 357 P C 0.775 178.107 177.300 0.053 0.000 1.147 357 P CA 1.365 64.453 63.100 -0.020 0.000 0.827 357 P CB 0.203 31.877 31.700 -0.045 0.000 0.778 358 D N -2.125 118.320 120.400 0.075 0.000 2.194 358 D HA -0.022 4.608 4.640 -0.016 0.000 0.204 358 D C 1.580 177.919 176.300 0.065 0.000 0.964 358 D CA 1.681 55.728 54.000 0.078 0.000 0.846 358 D CB -0.804 40.047 40.800 0.084 0.000 0.962 358 D HN 0.283 nan 8.370 nan 0.000 0.490 359 G N -0.186 108.647 108.800 0.055 0.000 2.370 359 G HA2 -0.133 3.818 3.960 -0.016 0.000 0.174 359 G HA3 -0.133 3.818 3.960 -0.016 0.000 0.174 359 G C 0.180 175.107 174.900 0.045 0.000 1.002 359 G CA 0.238 45.367 45.100 0.049 0.000 0.730 359 G HN 0.727 nan 8.290 nan 0.000 0.497 360 S N 1.387 117.112 115.700 0.041 0.000 2.586 360 S HA 0.733 5.193 4.470 -0.016 0.000 0.274 360 S C -2.191 172.405 174.600 -0.007 0.000 1.281 360 S CA -1.181 57.044 58.200 0.043 0.000 1.035 360 S CB 2.185 65.417 63.200 0.053 0.000 0.962 360 S HN 0.218 nan 8.310 nan 0.000 0.512 361 P HA 0.242 nan 4.420 nan 0.000 0.271 361 P C -0.941 176.360 177.300 0.002 0.000 1.216 361 P CA -0.180 62.870 63.100 -0.083 0.000 0.771 361 P CB 0.555 32.285 31.700 0.050 0.000 0.864 362 A N 4.453 127.264 122.820 -0.016 0.000 2.252 362 A HA 0.300 4.610 4.320 -0.016 0.000 0.309 362 A C -0.579 177.067 177.584 0.103 0.000 1.285 362 A CA -0.693 51.403 52.037 0.100 0.000 0.900 362 A CB -0.239 18.877 19.000 0.193 0.000 1.157 362 A HN 0.615 nan 8.150 nan 0.000 0.536 363 Y N 2.712 123.019 120.300 0.011 0.000 2.309 363 Y HA 0.344 4.885 4.550 -0.016 0.000 0.327 363 Y C 1.022 176.909 175.900 -0.022 0.000 1.172 363 Y CA -0.076 58.020 58.100 -0.007 0.000 1.280 363 Y CB 0.429 38.895 38.460 0.009 0.000 1.234 363 Y HN 0.844 nan 8.280 nan 0.000 0.512 364 R N 2.573 122.680 120.500 -0.656 0.000 3.188 364 R HA -0.143 4.188 4.340 -0.016 0.000 0.247 364 R C -1.692 174.419 176.300 -0.315 0.000 0.918 364 R CA 0.480 56.225 56.100 -0.591 0.000 0.629 364 R CB -1.972 27.880 30.300 -0.748 0.000 1.087 364 R HN 0.348 nan 8.270 nan 0.000 0.462 365 V N 2.209 121.955 119.914 -0.279 0.000 2.326 365 V HA 0.273 4.383 4.120 -0.016 0.000 0.281 365 V C -1.506 174.423 176.094 -0.275 0.000 1.015 365 V CA -1.681 60.422 62.300 -0.328 0.000 0.823 365 V CB 1.778 33.285 31.823 -0.528 0.000 1.009 365 V HN 0.134 nan 8.190 nan 0.000 0.436 366 P HA 0.209 nan 4.420 nan 0.000 0.268 366 P C -0.532 176.666 177.300 -0.170 0.000 1.204 366 P CA 0.306 63.303 63.100 -0.170 0.000 0.768 366 P CB 1.484 33.102 31.700 -0.137 0.000 0.842 367 V N -0.401 119.433 119.914 -0.133 0.000 3.102 367 V HA 1.010 5.120 4.120 -0.016 0.000 0.312 367 V C -0.890 175.160 176.094 -0.073 0.000 1.135 367 V CA -1.310 60.922 62.300 -0.113 0.000 1.022 367 V CB 1.688 33.442 31.823 -0.115 0.000 1.056 367 V HN 0.800 nan 8.190 nan 0.000 0.436 368 A N 1.389 124.178 122.820 -0.052 0.000 2.608 368 A HA 0.824 5.134 4.320 -0.016 0.000 0.292 368 A C -0.696 176.883 177.584 -0.008 0.000 1.066 368 A CA -0.363 51.655 52.037 -0.032 0.000 0.676 368 A CB 1.356 20.334 19.000 -0.037 0.000 1.277 368 A HN 1.477 nan 8.150 nan 0.000 0.413 369 V N 1.025 120.938 119.914 -0.001 0.000 3.641 369 V HA 0.189 4.299 4.120 -0.016 0.000 0.286 369 V C 0.612 176.708 176.094 0.003 0.000 1.027 369 V CA -0.591 61.717 62.300 0.012 0.000 1.032 369 V CB 0.647 32.474 31.823 0.005 0.000 1.238 369 V HN 0.858 nan 8.190 nan 0.000 0.439 370 Q N 0.613 120.416 119.800 0.005 0.000 2.337 370 Q HA 0.354 4.685 4.340 -0.016 0.000 0.270 370 Q C 0.831 176.826 176.000 -0.008 0.000 1.002 370 Q CA 1.201 57.003 55.803 -0.001 0.000 0.888 370 Q CB 0.427 29.164 28.738 -0.001 0.000 1.222 370 Q HN 1.080 nan 8.270 nan 0.000 0.400 371 G N 2.647 111.442 108.800 -0.009 0.000 2.588 371 G HA2 -0.287 3.664 3.960 -0.016 0.000 0.273 371 G HA3 -0.287 3.664 3.960 -0.016 0.000 0.273 371 G C -1.140 173.751 174.900 -0.015 0.000 1.211 371 G CA -0.031 45.062 45.100 -0.012 0.000 0.958 371 G HN 0.722 nan 8.290 nan 0.000 0.543 372 E N 0.654 120.844 120.200 -0.017 0.000 3.487 372 E HA -0.010 4.330 4.350 -0.016 0.000 0.335 372 E C 0.178 176.765 176.600 -0.023 0.000 1.700 372 E CA 2.057 58.444 56.400 -0.021 0.000 1.219 372 E CB -1.210 28.477 29.700 -0.022 0.000 0.671 372 E HN 1.940 nan 8.360 nan 0.000 0.348 373 D N 1.292 121.678 120.400 -0.023 0.000 2.845 373 D HA -0.163 4.468 4.640 -0.016 0.000 0.247 373 D C 0.387 176.672 176.300 -0.024 0.000 1.062 373 D CA 1.859 55.846 54.000 -0.021 0.000 0.774 373 D CB -1.200 39.589 40.800 -0.019 0.000 1.064 373 D HN 0.658 nan 8.370 nan 0.000 0.433 374 T N -2.521 112.017 114.554 -0.026 0.000 12.278 374 T HA -0.340 4.000 4.350 -0.016 0.000 0.418 374 T C 0.939 175.620 174.700 -0.032 0.000 1.446 374 T CA 1.688 63.771 62.100 -0.028 0.000 2.394 374 T CB -1.133 67.719 68.868 -0.026 0.000 2.852 374 T HN 0.675 nan 8.240 nan 0.000 0.835 375 V N 4.027 123.922 119.914 -0.031 0.000 2.519 375 V HA 0.065 4.175 4.120 -0.016 0.000 0.258 375 V C 0.763 176.835 176.094 -0.037 0.000 0.989 375 V CA 1.167 63.447 62.300 -0.033 0.000 1.170 375 V CB -0.545 31.259 31.823 -0.030 0.000 1.066 375 V HN 0.474 nan 8.190 nan 0.000 0.469 376 Q N 2.724 122.498 119.800 -0.042 0.000 3.331 376 Q HA 0.857 5.187 4.340 -0.016 0.000 0.279 376 Q C -0.506 175.461 176.000 -0.055 0.000 1.025 376 Q CA -0.398 55.374 55.803 -0.050 0.000 0.743 376 Q CB 2.310 31.015 28.738 -0.056 0.000 2.725 376 Q HN 0.828 nan 8.270 nan 0.000 0.380 377 S N -0.539 115.121 115.700 -0.066 0.000 2.915 377 S HA 0.201 4.661 4.470 -0.016 0.000 0.274 377 S C -1.874 172.672 174.600 -0.090 0.000 0.746 377 S CA -0.814 57.344 58.200 -0.070 0.000 0.796 377 S CB -0.436 62.727 63.200 -0.062 0.000 1.004 377 S HN 0.306 nan 8.310 nan 0.000 0.549 378 L N 2.124 123.290 121.223 -0.095 0.000 2.343 378 L HA 0.711 5.042 4.340 -0.016 0.000 0.275 378 L C 0.967 177.768 176.870 -0.114 0.000 1.056 378 L CA 0.008 54.772 54.840 -0.126 0.000 0.804 378 L CB 1.551 43.523 42.059 -0.146 0.000 1.203 378 L HN 0.879 nan 8.230 nan 0.000 0.440 379 T N 2.031 116.501 114.554 -0.140 0.000 2.884 379 T HA 0.278 4.618 4.350 -0.016 0.000 0.298 379 T C 0.215 174.891 174.700 -0.038 0.000 0.998 379 T CA -0.307 61.741 62.100 -0.087 0.000 1.124 379 T CB 0.525 69.328 68.868 -0.108 0.000 0.931 379 T HN 0.503 nan 8.240 nan 0.000 0.531 380 Q N 1.476 121.322 119.800 0.076 0.000 2.270 380 Q HA 0.431 4.761 4.340 -0.016 0.000 0.167 380 Q C 2.080 178.328 176.000 0.414 0.000 1.023 380 Q CA -0.675 55.266 55.803 0.230 0.000 1.070 380 Q CB 0.032 28.848 28.738 0.130 0.000 1.504 380 Q HN 0.766 nan 8.270 nan 0.000 0.536 381 G N 1.147 110.098 108.800 0.252 0.000 2.442 381 G HA2 -0.273 3.678 3.960 -0.016 0.000 0.219 381 G HA3 -0.273 3.678 3.960 -0.016 0.000 0.219 381 G C 0.802 175.727 174.900 0.041 0.000 1.141 381 G CA 1.381 46.464 45.100 -0.028 0.000 0.763 381 G HN 0.768 nan 8.290 nan 0.000 0.554 382 D N -0.544 119.906 120.400 0.083 0.000 2.349 382 D HA 0.199 4.829 4.640 -0.016 0.000 0.224 382 D C 1.686 178.121 176.300 0.224 0.000 1.029 382 D CA 0.679 54.748 54.000 0.116 0.000 0.879 382 D CB -0.595 40.246 40.800 0.068 0.000 0.906 382 D HN 0.559 nan 8.370 nan 0.000 0.528 383 G N -0.513 108.389 108.800 0.170 0.000 2.143 383 G HA2 -0.224 3.726 3.960 -0.016 0.000 0.249 383 G HA3 -0.224 3.726 3.960 -0.016 0.000 0.249 383 G C 0.005 174.987 174.900 0.136 0.000 0.981 383 G CA 0.247 45.400 45.100 0.088 0.000 0.665 383 G HN 0.390 nan 8.290 nan 0.000 0.528 384 V N 0.342 120.363 119.914 0.178 0.000 2.547 384 V HA 0.863 4.973 4.120 -0.016 0.000 0.299 384 V C 0.576 176.691 176.094 0.034 0.000 1.040 384 V CA -0.150 62.237 62.300 0.145 0.000 0.913 384 V CB 1.727 33.596 31.823 0.077 0.000 0.992 384 V HN 1.212 nan 8.190 nan 0.000 0.449 385 A N 3.526 126.348 122.820 0.003 0.000 2.365 385 A HA 0.840 5.150 4.320 -0.016 0.000 0.318 385 A C -0.611 176.949 177.584 -0.041 0.000 1.091 385 A CA -0.825 51.191 52.037 -0.035 0.000 0.763 385 A CB 1.506 20.469 19.000 -0.061 0.000 1.248 385 A HN 0.716 nan 8.150 nan 0.000 0.442 386 K N 2.459 122.827 120.400 -0.053 0.000 2.347 386 K HA 0.605 4.915 4.320 -0.016 0.000 0.262 386 K C -1.536 175.024 176.600 -0.066 0.000 1.052 386 K CA 0.094 56.342 56.287 -0.065 0.000 0.946 386 K CB -0.068 32.393 32.500 -0.066 0.000 1.220 386 K HN 0.615 nan 8.250 nan 0.000 0.450 387 L N 2.918 124.097 121.223 -0.073 0.000 2.325 387 L HA 0.540 4.870 4.340 -0.016 0.000 0.278 387 L C -0.424 176.379 176.870 -0.111 0.000 1.023 387 L CA -0.747 54.050 54.840 -0.072 0.000 0.811 387 L CB 2.007 44.041 42.059 -0.043 0.000 1.249 387 L HN 0.776 nan 8.230 nan 0.000 0.431 388 S N 3.704 119.350 115.700 -0.090 0.000 2.594 388 S HA 0.739 5.199 4.470 -0.016 0.000 0.296 388 S C -0.719 173.843 174.600 -0.064 0.000 1.124 388 S CA -0.777 57.364 58.200 -0.098 0.000 1.011 388 S CB 1.431 64.587 63.200 -0.073 0.000 1.016 388 S HN 0.533 nan 8.310 nan 0.000 0.485 389 I N 0.345 120.888 120.570 -0.045 0.000 2.474 389 I HA 0.566 4.726 4.170 -0.016 0.000 0.294 389 I C -0.398 175.701 176.117 -0.030 0.000 1.005 389 I CA -0.913 60.375 61.300 -0.021 0.000 1.113 389 I CB 1.611 39.620 38.000 0.015 0.000 1.289 389 I HN 0.667 nan 8.210 nan 0.000 0.436 390 N N 3.514 122.173 118.700 -0.069 0.000 2.514 390 N HA 0.386 5.116 4.740 -0.016 0.000 0.277 390 N C -0.703 174.709 175.510 -0.163 0.000 1.126 390 N CA -0.147 52.839 53.050 -0.107 0.000 0.978 390 N CB 1.069 39.486 38.487 -0.115 0.000 1.106 390 N HN 0.698 nan 8.380 nan 0.000 0.461 391 T N 1.245 115.690 114.554 -0.182 0.000 2.932 391 T HA 0.281 4.621 4.350 -0.016 0.000 0.289 391 T C -0.681 173.873 174.700 -0.243 0.000 1.039 391 T CA -0.633 61.334 62.100 -0.222 0.000 1.024 391 T CB 1.063 69.808 68.868 -0.205 0.000 1.090 391 T HN 0.390 nan 8.240 nan 0.000 0.496 392 H N 1.591 120.605 119.070 -0.092 0.000 2.487 392 H HA 0.219 4.765 4.556 -0.017 0.000 0.333 392 H C -1.890 173.447 175.328 0.016 0.000 1.114 392 H CA -2.057 53.971 56.048 -0.035 0.000 1.310 392 H CB 1.413 31.155 29.762 -0.034 0.000 1.462 392 H HN 0.296 nan 8.280 nan 0.000 0.516 393 P HA -0.070 nan 4.420 nan 0.000 0.259 393 P C 0.093 177.483 177.300 0.151 0.000 1.307 393 P CA 0.246 63.422 63.100 0.127 0.000 0.768 393 P CB -0.156 31.608 31.700 0.108 0.000 1.199 394 S N -0.663 115.139 115.700 0.170 0.000 2.601 394 S HA 0.172 4.633 4.470 -0.016 0.000 0.271 394 S C 0.869 175.582 174.600 0.189 0.000 1.305 394 S CA -0.575 57.708 58.200 0.137 0.000 1.022 394 S CB 0.841 64.088 63.200 0.079 0.000 0.940 394 S HN -0.035 nan 8.310 nan 0.000 0.525 395 Q N 0.470 120.354 119.800 0.140 0.000 2.247 395 Q HA 0.181 4.512 4.340 -0.016 0.000 0.205 395 Q C -0.032 176.053 176.000 0.142 0.000 0.896 395 Q CA 0.135 56.018 55.803 0.134 0.000 0.950 395 Q CB -0.272 28.517 28.738 0.085 0.000 1.054 395 Q HN 0.762 nan 8.270 nan 0.000 0.482 396 K N 2.020 122.512 120.400 0.154 0.000 2.249 396 K HA 0.235 4.545 4.320 -0.016 0.000 0.280 396 K C -2.354 174.338 176.600 0.154 0.000 1.033 396 K CA -1.765 54.587 56.287 0.108 0.000 0.946 396 K CB 0.741 33.267 32.500 0.045 0.000 1.005 396 K HN -0.215 nan 8.250 nan 0.000 0.469 397 P HA -0.142 nan 4.420 nan 0.000 0.253 397 P C -0.814 176.494 177.300 0.013 0.000 1.159 397 P CA 0.369 63.523 63.100 0.089 0.000 0.779 397 P CB 0.216 31.935 31.700 0.031 0.000 0.745 398 L N 3.300 124.503 121.223 -0.033 0.000 2.361 398 L HA 0.157 4.488 4.340 -0.016 0.000 0.278 398 L C 0.436 177.199 176.870 -0.179 0.000 1.113 398 L CA 0.221 54.906 54.840 -0.258 0.000 0.849 398 L CB 0.414 42.044 42.059 -0.715 0.000 1.155 398 L HN 0.289 nan 8.230 nan 0.000 0.452 399 S N 5.092 120.709 115.700 -0.138 0.000 2.456 399 S HA 0.663 5.124 4.470 -0.016 0.000 0.316 399 S C -0.593 173.942 174.600 -0.108 0.000 1.089 399 S CA -0.582 57.552 58.200 -0.111 0.000 1.101 399 S CB 0.631 63.788 63.200 -0.071 0.000 0.995 399 S HN 0.427 nan 8.310 nan 0.000 0.468 400 I N 3.839 124.329 120.570 -0.133 0.000 2.436 400 I HA 0.400 4.560 4.170 -0.016 0.000 0.289 400 I C 0.028 176.089 176.117 -0.094 0.000 1.010 400 I CA -0.249 60.984 61.300 -0.112 0.000 1.098 400 I CB 2.218 40.146 38.000 -0.121 0.000 1.266 400 I HN 0.400 nan 8.210 nan 0.000 0.434 401 T N 4.858 119.409 114.554 -0.005 0.000 2.888 401 T HA 0.814 5.154 4.350 -0.016 0.000 0.284 401 T C -0.464 174.305 174.700 0.115 0.000 1.017 401 T CA -0.674 61.466 62.100 0.068 0.000 1.022 401 T CB 2.054 70.946 68.868 0.040 0.000 1.013 401 T HN 0.251 nan 8.240 nan 0.000 0.465 402 V N 2.686 122.709 119.914 0.182 0.000 2.925 402 V HA 0.677 4.787 4.120 -0.016 0.000 0.311 402 V C -0.428 175.687 176.094 0.036 0.000 1.104 402 V CA -1.002 61.381 62.300 0.138 0.000 0.954 402 V CB 2.347 34.325 31.823 0.258 0.000 1.022 402 V HN 0.789 nan 8.190 nan 0.000 0.427 403 R N 0.771 121.265 120.500 -0.010 0.000 2.855 403 R HA 0.803 5.133 4.340 -0.016 0.000 0.266 403 R C -0.939 175.311 176.300 -0.084 0.000 1.034 403 R CA -0.828 55.239 56.100 -0.055 0.000 0.944 403 R CB 1.923 32.199 30.300 -0.041 0.000 1.219 403 R HN 0.666 nan 8.270 nan 0.000 0.474 404 T N 1.371 115.845 114.554 -0.132 0.000 3.352 404 T HA -0.049 4.292 4.350 -0.016 0.000 0.422 404 T C -0.833 173.798 174.700 -0.115 0.000 0.769 404 T CA 0.178 62.184 62.100 -0.157 0.000 2.235 404 T CB -0.516 68.275 68.868 -0.128 0.000 1.726 404 T HN 0.551 nan 8.240 nan 0.000 0.747 405 K N 1.149 121.471 120.400 -0.129 0.000 2.734 405 K HA 0.159 4.469 4.320 -0.016 0.000 0.200 405 K C 0.333 176.879 176.600 -0.090 0.000 1.120 405 K CA -0.672 55.561 56.287 -0.090 0.000 1.067 405 K CB 0.795 33.248 32.500 -0.078 0.000 0.771 405 K HN 0.263 nan 8.250 nan 0.000 0.481 406 K N 2.327 122.664 120.400 -0.106 0.000 2.453 406 K HA 0.040 4.350 4.320 -0.016 0.000 0.280 406 K C 0.643 177.220 176.600 -0.038 0.000 1.045 406 K CA 0.524 56.766 56.287 -0.075 0.000 1.059 406 K CB 0.529 33.001 32.500 -0.047 0.000 0.901 406 K HN 0.282 nan 8.250 nan 0.000 0.475 407 Q N 1.910 121.689 119.800 -0.035 0.000 2.700 407 Q HA -0.064 4.266 4.340 -0.016 0.000 0.191 407 Q C 0.549 176.542 176.000 -0.010 0.000 1.134 407 Q CA 0.277 56.066 55.803 -0.023 0.000 1.193 407 Q CB 0.305 29.029 28.738 -0.023 0.000 1.250 407 Q HN 0.582 nan 8.270 nan 0.000 0.670 408 E N -2.198 117.998 120.200 -0.007 0.000 4.586 408 E HA -0.313 4.027 4.350 -0.016 0.000 0.271 408 E C 0.102 176.700 176.600 -0.004 0.000 0.767 408 E CA 1.158 57.558 56.400 -0.001 0.000 1.491 408 E CB -0.994 28.710 29.700 0.006 0.000 1.758 408 E HN 0.293 nan 8.360 nan 0.000 0.398 409 L N 0.202 121.420 121.223 -0.008 0.000 2.928 409 L HA 0.492 4.822 4.340 -0.016 0.000 0.162 409 L C 0.388 177.247 176.870 -0.018 0.000 1.540 409 L CA 0.913 55.739 54.840 -0.022 0.000 1.836 409 L CB 0.827 42.877 42.059 -0.015 0.000 2.626 409 L HN 0.236 nan 8.230 nan 0.000 0.549 410 S N -2.635 113.053 115.700 -0.021 0.000 2.547 410 S HA 0.295 4.755 4.470 -0.016 0.000 0.270 410 S C 0.267 174.859 174.600 -0.013 0.000 1.150 410 S CA -0.702 57.491 58.200 -0.012 0.000 0.850 410 S CB 1.024 64.223 63.200 -0.002 0.000 1.118 410 S HN 0.444 nan 8.310 nan 0.000 0.461 411 E N 1.287 121.480 120.200 -0.012 0.000 2.147 411 E HA -0.211 4.129 4.350 -0.016 0.000 0.199 411 E C 2.162 178.759 176.600 -0.004 0.000 1.005 411 E CA 1.900 58.293 56.400 -0.011 0.000 0.810 411 E CB -0.645 29.048 29.700 -0.011 0.000 0.736 411 E HN 0.793 nan 8.360 nan 0.000 0.460 412 A N 1.000 123.821 122.820 0.002 0.000 1.969 412 A HA -0.165 4.145 4.320 -0.016 0.000 0.218 412 A C 1.881 179.486 177.584 0.034 0.000 1.169 412 A CA 1.231 53.279 52.037 0.019 0.000 0.635 412 A CB -0.223 18.788 19.000 0.018 0.000 0.810 412 A HN 0.208 nan 8.150 nan 0.000 0.445 413 E N -0.091 120.116 120.200 0.011 0.000 2.385 413 E HA -0.012 4.328 4.350 -0.016 0.000 0.194 413 E C 0.095 176.670 176.600 -0.042 0.000 1.013 413 E CA -0.152 56.227 56.400 -0.036 0.000 0.866 413 E CB 0.033 29.652 29.700 -0.135 0.000 0.832 413 E HN 0.564 nan 8.360 nan 0.000 0.500 414 Q N 0.727 120.517 119.800 -0.016 0.000 2.432 414 Q HA 0.248 4.578 4.340 -0.016 0.000 0.264 414 Q C -0.062 175.932 176.000 -0.011 0.000 1.035 414 Q CA 0.097 55.895 55.803 -0.007 0.000 0.908 414 Q CB 1.004 29.728 28.738 -0.022 0.000 1.280 414 Q HN 0.092 nan 8.270 nan 0.000 0.455 415 A N 1.371 124.184 122.820 -0.011 0.000 2.252 415 A HA 0.713 5.023 4.320 -0.016 0.000 0.305 415 A C 0.019 177.573 177.584 -0.050 0.000 1.097 415 A CA -0.187 51.831 52.037 -0.033 0.000 0.849 415 A CB 1.538 20.518 19.000 -0.035 0.000 1.142 415 A HN 0.629 nan 8.150 nan 0.000 0.499 416 T N -1.154 113.368 114.554 -0.053 0.000 2.821 416 T HA 0.659 5.000 4.350 -0.016 0.000 0.306 416 T C -1.381 173.302 174.700 -0.030 0.000 1.313 416 T CA -0.534 61.547 62.100 -0.032 0.000 1.012 416 T CB 1.295 70.162 68.868 -0.001 0.000 1.298 416 T HN 1.034 nan 8.240 nan 0.000 0.502 417 R N 0.685 121.210 120.500 0.041 0.000 2.634 417 R HA 0.659 4.989 4.340 -0.016 0.000 0.263 417 R C -1.903 174.619 176.300 0.369 0.000 1.060 417 R CA -0.375 55.807 56.100 0.137 0.000 0.898 417 R CB 1.761 32.045 30.300 -0.026 0.000 1.253 417 R HN 0.691 nan 8.270 nan 0.000 0.461 418 T N 4.195 118.940 114.554 0.319 0.000 2.937 418 T HA 0.518 4.858 4.350 -0.016 0.000 0.297 418 T C -0.205 174.517 174.700 0.037 0.000 0.991 418 T CA -0.738 61.451 62.100 0.150 0.000 0.990 418 T CB 0.956 69.861 68.868 0.062 0.000 0.991 418 T HN 0.640 nan 8.240 nan 0.000 0.440 419 M N 1.638 121.081 119.600 -0.263 0.000 2.734 419 M HA 0.727 5.197 4.480 -0.016 0.000 0.264 419 M C -0.732 175.452 176.300 -0.192 0.000 1.080 419 M CA -0.919 54.221 55.300 -0.267 0.000 0.981 419 M CB 1.554 33.820 32.600 -0.556 0.000 1.514 419 M HN 0.453 nan 8.290 nan 0.000 0.569 420 Q N 0.521 120.224 119.800 -0.161 0.000 2.296 420 Q HA 0.651 4.982 4.340 -0.016 0.000 0.254 420 Q C -2.368 173.546 176.000 -0.144 0.000 0.936 420 Q CA -0.550 55.176 55.803 -0.129 0.000 0.834 420 Q CB 2.157 30.848 28.738 -0.080 0.000 1.340 420 Q HN 0.967 nan 8.270 nan 0.000 0.428 421 A N 5.229 127.960 122.820 -0.148 0.000 2.288 421 A HA 0.662 4.972 4.320 -0.016 0.000 0.320 421 A C -0.845 176.783 177.584 0.074 0.000 1.217 421 A CA -0.578 51.373 52.037 -0.144 0.000 0.840 421 A CB 0.674 19.487 19.000 -0.313 0.000 1.179 421 A HN 0.786 nan 8.150 nan 0.000 0.504 422 L N 3.544 124.747 121.223 -0.032 0.000 2.399 422 L HA 0.463 4.794 4.340 -0.016 0.000 0.265 422 L C -1.947 174.792 176.870 -0.218 0.000 1.089 422 L CA -2.135 52.733 54.840 0.048 0.000 0.802 422 L CB 1.598 43.691 42.059 0.057 0.000 1.180 422 L HN 0.485 nan 8.230 nan 0.000 0.454 423 P HA 0.006 nan 4.420 nan 0.000 0.279 423 P C -1.208 175.934 177.300 -0.264 0.000 1.239 423 P CA -0.273 62.267 63.100 -0.933 0.000 0.789 423 P CB 0.442 31.806 31.700 -0.559 0.000 0.933 424 Y N 2.467 122.593 120.300 -0.291 0.000 2.605 424 Y HA 0.062 4.602 4.550 -0.016 0.000 0.336 424 Y C 0.846 176.761 175.900 0.025 0.000 1.111 424 Y CA 0.371 58.432 58.100 -0.066 0.000 1.422 424 Y CB 0.277 38.773 38.460 0.060 0.000 1.193 424 Y HN 0.291 nan 8.280 nan 0.000 0.526 425 S N 5.047 120.602 115.700 -0.243 0.000 2.505 425 S HA 0.254 4.714 4.470 -0.016 0.000 0.276 425 S C -0.222 174.314 174.600 -0.107 0.000 1.274 425 S CA -0.628 57.495 58.200 -0.128 0.000 1.053 425 S CB 0.072 63.170 63.200 -0.169 0.000 0.919 425 S HN 0.803 nan 8.310 nan 0.000 0.490 426 T N 3.624 118.189 114.554 0.019 0.000 2.918 426 T HA 0.319 4.659 4.350 -0.016 0.000 0.283 426 T C -0.070 174.617 174.700 -0.021 0.000 1.001 426 T CA -0.795 61.308 62.100 0.006 0.000 1.041 426 T CB 1.060 69.833 68.868 -0.159 0.000 1.028 426 T HN 0.452 nan 8.240 nan 0.000 0.511 427 V N 2.332 122.230 119.914 -0.026 0.000 2.400 427 V HA 0.339 4.449 4.120 -0.016 0.000 0.263 427 V C 1.521 177.586 176.094 -0.047 0.000 1.026 427 V CA 0.545 62.823 62.300 -0.037 0.000 1.077 427 V CB -0.820 30.948 31.823 -0.092 0.000 1.054 427 V HN 1.277 nan 8.190 nan 0.000 0.477 428 G N 5.153 113.936 108.800 -0.029 0.000 2.273 428 G HA2 -0.311 3.639 3.960 -0.016 0.000 0.280 428 G HA3 -0.311 3.639 3.960 -0.016 0.000 0.280 428 G C 0.306 175.190 174.900 -0.028 0.000 1.047 428 G CA 0.156 45.240 45.100 -0.027 0.000 0.869 428 G HN 1.000 nan 8.290 nan 0.000 0.502 429 N N -1.773 116.910 118.700 -0.027 0.000 2.740 429 N HA -0.213 4.517 4.740 -0.016 0.000 0.248 429 N C 1.440 176.929 175.510 -0.035 0.000 1.062 429 N CA 1.776 54.814 53.050 -0.020 0.000 0.704 429 N CB -1.625 36.862 38.487 0.000 0.000 0.968 429 N HN 1.413 nan 8.380 nan 0.000 0.547 430 S N -1.147 114.511 115.700 -0.070 0.000 2.527 430 S HA 0.005 4.465 4.470 -0.016 0.000 0.222 430 S C 0.826 175.373 174.600 -0.089 0.000 0.985 430 S CA 0.334 58.488 58.200 -0.077 0.000 0.921 430 S CB 0.194 63.335 63.200 -0.099 0.000 0.772 430 S HN 0.354 nan 8.310 nan 0.000 0.529 431 N N 2.266 120.874 118.700 -0.153 0.000 2.740 431 N HA -0.110 4.621 4.740 -0.016 0.000 0.248 431 N C -1.722 173.638 175.510 -0.250 0.000 1.062 431 N CA 0.720 53.659 53.050 -0.185 0.000 0.704 431 N CB -1.840 36.679 38.487 0.054 0.000 0.968 431 N HN 0.567 nan 8.380 nan 0.000 0.547 432 N N 0.993 119.463 118.700 -0.383 0.000 2.511 432 N HA 0.311 5.041 4.740 -0.016 0.000 0.249 432 N C -0.493 174.843 175.510 -0.290 0.000 0.971 432 N CA -0.100 52.843 53.050 -0.178 0.000 0.938 432 N CB 0.441 38.917 38.487 -0.018 0.000 1.131 432 N HN 0.156 nan 8.380 nan 0.000 0.505 433 Y N 0.525 120.875 120.300 0.084 0.000 2.567 433 Y HA 0.633 5.172 4.550 -0.018 0.000 0.333 433 Y C -0.049 175.914 175.900 0.105 0.000 1.106 433 Y CA -1.223 56.856 58.100 -0.035 0.000 1.157 433 Y CB 1.506 39.931 38.460 -0.058 0.000 1.277 433 Y HN 0.275 nan 8.280 nan 0.000 0.490 434 L N 1.477 122.802 121.223 0.170 0.000 2.401 434 L HA 0.575 4.906 4.340 -0.016 0.000 0.266 434 L C -1.784 175.177 176.870 0.151 0.000 0.991 434 L CA -0.568 54.420 54.840 0.246 0.000 0.818 434 L CB 1.797 44.047 42.059 0.318 0.000 1.321 434 L HN 0.767 nan 8.230 nan 0.000 0.413 435 H N 4.162 123.251 119.070 0.032 0.000 2.840 435 H HA 0.629 5.175 4.556 -0.017 0.000 0.340 435 H C -1.866 173.399 175.328 -0.105 0.000 1.004 435 H CA -0.506 55.529 56.048 -0.021 0.000 1.288 435 H CB 1.246 31.010 29.762 0.004 0.000 1.607 435 H HN 0.674 nan 8.280 nan 0.000 0.522 436 L N 5.020 125.848 121.223 -0.659 0.000 2.280 436 L HA 0.442 4.772 4.340 -0.016 0.000 0.287 436 L C -0.292 176.129 176.870 -0.747 0.000 1.023 436 L CA -0.687 53.748 54.840 -0.676 0.000 0.819 436 L CB 1.391 43.135 42.059 -0.525 0.000 1.212 436 L HN 0.696 nan 8.230 nan 0.000 0.420 437 S N 2.547 117.906 115.700 -0.568 0.000 2.501 437 S HA 0.813 5.273 4.470 -0.016 0.000 0.301 437 S C -0.563 173.905 174.600 -0.221 0.000 1.096 437 S CA -0.811 57.189 58.200 -0.334 0.000 1.063 437 S CB 2.524 65.644 63.200 -0.133 0.000 1.042 437 S HN 0.231 nan 8.310 nan 0.000 0.494 438 V N 2.790 122.608 119.914 -0.160 0.000 2.686 438 V HA 0.341 4.451 4.120 -0.016 0.000 0.306 438 V C -1.032 175.007 176.094 -0.092 0.000 1.065 438 V CA -0.906 61.320 62.300 -0.123 0.000 0.894 438 V CB 1.737 33.487 31.823 -0.123 0.000 1.004 438 V HN 0.861 nan 8.190 nan 0.000 0.424 439 L N 4.618 125.799 121.223 -0.071 0.000 2.477 439 L HA 0.336 4.666 4.340 -0.016 0.000 0.272 439 L C 0.530 177.364 176.870 -0.061 0.000 1.157 439 L CA 0.375 55.180 54.840 -0.058 0.000 0.889 439 L CB -0.381 41.652 42.059 -0.045 0.000 1.158 439 L HN 0.498 nan 8.230 nan 0.000 0.473 440 R N 2.864 123.326 120.500 -0.063 0.000 2.210 440 R HA 0.578 4.909 4.340 -0.016 0.000 0.338 440 R C -0.853 175.417 176.300 -0.050 0.000 1.062 440 R CA -0.029 56.030 56.100 -0.069 0.000 0.902 440 R CB -0.026 30.227 30.300 -0.078 0.000 1.050 440 R HN 0.855 nan 8.270 nan 0.000 0.461 441 T N 0.886 115.412 114.554 -0.047 0.000 2.840 441 T HA 0.270 4.610 4.350 -0.016 0.000 0.317 441 T C -0.904 173.776 174.700 -0.033 0.000 1.401 441 T CA -1.135 60.946 62.100 -0.032 0.000 1.028 441 T CB 1.006 69.859 68.868 -0.024 0.000 1.317 441 T HN 0.482 nan 8.240 nan 0.000 0.495 442 E N 1.626 121.811 120.200 -0.024 0.000 2.271 442 E HA 0.095 4.435 4.350 -0.016 0.000 0.255 442 E C -0.245 176.342 176.600 -0.022 0.000 1.177 442 E CA -0.044 56.341 56.400 -0.025 0.000 0.946 442 E CB 0.166 29.855 29.700 -0.018 0.000 1.009 442 E HN 0.385 nan 8.360 nan 0.000 0.451 443 L N 4.789 126.001 121.223 -0.019 0.000 2.418 443 L HA 0.113 4.444 4.340 -0.016 0.000 0.274 443 L C 0.674 177.534 176.870 -0.017 0.000 1.135 443 L CA 0.319 55.150 54.840 -0.015 0.000 0.870 443 L CB 0.146 42.213 42.059 0.014 0.000 1.154 443 L HN 0.324 nan 8.230 nan 0.000 0.462 444 R N 4.212 124.695 120.500 -0.027 0.000 2.604 444 R HA 0.475 4.805 4.340 -0.016 0.000 0.287 444 R C -2.501 173.778 176.300 -0.034 0.000 0.970 444 R CA -2.139 53.948 56.100 -0.021 0.000 0.946 444 R CB 0.592 30.883 30.300 -0.015 0.000 1.127 444 R HN 0.317 nan 8.270 nan 0.000 0.473 445 P HA 0.038 nan 4.420 nan 0.000 0.267 445 P C 0.547 177.838 177.300 -0.015 0.000 1.205 445 P CA 0.696 63.788 63.100 -0.012 0.000 0.765 445 P CB 0.821 32.540 31.700 0.033 0.000 0.828 446 G N 1.808 110.589 108.800 -0.032 0.000 2.278 446 G HA2 -0.171 3.780 3.960 -0.016 0.000 0.210 446 G HA3 -0.171 3.780 3.960 -0.016 0.000 0.210 446 G C 0.115 174.990 174.900 -0.043 0.000 1.000 446 G CA -0.388 44.698 45.100 -0.024 0.000 0.635 446 G HN 0.526 nan 8.290 nan 0.000 0.495 447 E N 0.357 120.519 120.200 -0.063 0.000 2.369 447 E HA 0.531 4.871 4.350 -0.016 0.000 0.255 447 E C -0.322 176.218 176.600 -0.100 0.000 1.172 447 E CA 0.272 56.631 56.400 -0.069 0.000 0.932 447 E CB 1.082 30.743 29.700 -0.064 0.000 1.040 447 E HN 0.062 nan 8.360 nan 0.000 0.454 448 T N 1.177 115.681 114.554 -0.083 0.000 2.812 448 T HA 0.365 4.706 4.350 -0.016 0.000 0.282 448 T C -1.293 173.356 174.700 -0.085 0.000 0.990 448 T CA -0.757 61.286 62.100 -0.093 0.000 0.960 448 T CB 0.575 69.407 68.868 -0.059 0.000 0.948 448 T HN 0.168 nan 8.240 nan 0.000 0.438 449 L N 5.237 126.396 121.223 -0.106 0.000 2.312 449 L HA 0.579 4.910 4.340 -0.016 0.000 0.281 449 L C -0.180 176.659 176.870 -0.051 0.000 1.070 449 L CA -0.212 54.586 54.840 -0.070 0.000 0.805 449 L CB 1.055 43.080 42.059 -0.057 0.000 1.174 449 L HN 0.555 nan 8.230 nan 0.000 0.434 450 N N 4.132 122.808 118.700 -0.041 0.000 2.949 450 N HA 0.188 4.918 4.740 -0.016 0.000 0.243 450 N C -0.979 174.502 175.510 -0.049 0.000 1.113 450 N CA -0.203 52.826 53.050 -0.035 0.000 0.980 450 N CB 0.802 39.273 38.487 -0.028 0.000 1.256 450 N HN 0.336 nan 8.380 nan 0.000 0.508 451 V N 2.287 122.169 119.914 -0.055 0.000 2.521 451 V HA 0.076 4.187 4.120 -0.016 0.000 0.286 451 V C 0.438 176.449 176.094 -0.139 0.000 1.034 451 V CA -0.266 61.956 62.300 -0.130 0.000 1.045 451 V CB 0.267 31.998 31.823 -0.153 0.000 0.974 451 V HN 0.404 nan 8.190 nan 0.000 0.480 452 N N 4.386 122.942 118.700 -0.241 0.000 2.437 452 N HA 0.411 5.142 4.740 -0.016 0.000 0.259 452 N C -0.902 174.413 175.510 -0.325 0.000 0.983 452 N CA -0.211 52.737 53.050 -0.169 0.000 0.937 452 N CB 1.241 39.664 38.487 -0.107 0.000 1.122 452 N HN 0.476 nan 8.380 nan 0.000 0.499 453 F N 2.392 122.223 119.950 -0.198 0.000 2.335 453 F HA 0.269 4.786 4.527 -0.018 0.000 0.365 453 F C 0.233 175.925 175.800 -0.180 0.000 1.122 453 F CA -0.855 56.960 58.000 -0.308 0.000 1.151 453 F CB 0.727 39.364 39.000 -0.605 0.000 1.282 453 F HN 0.190 nan 8.300 nan 0.000 0.513 454 L N 5.632 126.871 121.223 0.025 0.000 2.272 454 L HA 0.540 4.871 4.340 -0.016 0.000 0.289 454 L C -1.096 175.865 176.870 0.152 0.000 1.032 454 L CA -0.857 54.045 54.840 0.104 0.000 0.810 454 L CB 1.039 43.184 42.059 0.143 0.000 1.205 454 L HN 0.471 nan 8.230 nan 0.000 0.422 455 L N 5.518 126.837 121.223 0.159 0.000 2.295 455 L HA 0.652 4.982 4.340 -0.016 0.000 0.285 455 L C -0.640 176.309 176.870 0.133 0.000 1.035 455 L CA -0.271 54.672 54.840 0.171 0.000 0.806 455 L CB 1.110 43.248 42.059 0.131 0.000 1.214 455 L HN 0.757 nan 8.230 nan 0.000 0.426 456 R N 6.674 127.277 120.500 0.172 0.000 2.388 456 R HA 0.833 5.163 4.340 -0.016 0.000 0.314 456 R C -1.477 174.918 176.300 0.158 0.000 0.959 456 R CA -0.459 55.744 56.100 0.172 0.000 0.851 456 R CB 0.763 31.206 30.300 0.238 0.000 1.168 456 R HN 0.848 nan 8.270 nan 0.000 0.472 457 M N 1.042 120.700 119.600 0.096 0.000 2.660 457 M HA 0.359 4.829 4.480 -0.016 0.000 0.281 457 M C -1.621 174.716 176.300 0.062 0.000 1.131 457 M CA -1.065 54.280 55.300 0.075 0.000 0.858 457 M CB 1.683 34.310 32.600 0.045 0.000 1.732 457 M HN 0.448 nan 8.290 nan 0.000 0.516 458 D N 1.826 122.269 120.400 0.073 0.000 2.478 458 D HA -0.001 4.629 4.640 -0.016 0.000 0.234 458 D C 0.878 177.206 176.300 0.047 0.000 1.154 458 D CA 0.049 54.088 54.000 0.065 0.000 0.874 458 D CB 0.640 41.488 40.800 0.081 0.000 1.198 458 D HN 0.890 nan 8.370 nan 0.000 0.455 459 R N 0.969 121.479 120.500 0.017 0.000 2.328 459 R HA -0.014 4.316 4.340 -0.016 0.000 0.207 459 R C 1.535 177.805 176.300 -0.051 0.000 1.056 459 R CA 0.963 57.057 56.100 -0.011 0.000 1.016 459 R CB -0.389 29.903 30.300 -0.014 0.000 0.872 459 R HN 0.412 nan 8.270 nan 0.000 0.471 460 A N 0.840 123.617 122.820 -0.072 0.000 2.019 460 A HA -0.123 4.187 4.320 -0.016 0.000 0.219 460 A C 1.124 178.433 177.584 -0.458 0.000 1.164 460 A CA 1.170 53.057 52.037 -0.250 0.000 0.644 460 A CB -0.407 18.432 19.000 -0.269 0.000 0.805 460 A HN 0.601 nan 8.150 nan 0.000 0.449 461 H N -1.745 117.304 119.070 -0.035 0.000 3.078 461 H HA 0.072 4.629 4.556 0.000 0.000 0.263 461 H C 1.461 176.744 175.328 -0.075 0.000 1.177 461 H CA 0.709 56.728 56.048 -0.049 0.000 1.128 461 H CB 0.269 30.005 29.762 -0.042 0.000 1.623 461 H HN 0.802 nan 8.280 nan 0.000 0.592 462 E N 1.526 121.730 120.200 0.006 0.000 2.204 462 E HA -0.077 4.263 4.350 -0.016 0.000 0.195 462 E C 2.005 178.558 176.600 -0.079 0.000 0.990 462 E CA 1.242 57.613 56.400 -0.049 0.000 0.821 462 E CB -0.096 29.582 29.700 -0.038 0.000 0.750 462 E HN 0.216 nan 8.360 nan 0.000 0.477 463 A N 0.637 123.421 122.820 -0.060 0.000 2.209 463 A HA -0.014 4.296 4.320 -0.016 0.000 0.212 463 A C 1.770 179.310 177.584 -0.074 0.000 1.158 463 A CA 0.892 52.891 52.037 -0.063 0.000 0.742 463 A CB -0.236 18.734 19.000 -0.050 0.000 0.790 463 A HN 0.194 nan 8.150 nan 0.000 0.472 464 K N -0.493 119.860 120.400 -0.079 0.000 2.314 464 K HA 0.159 4.469 4.320 -0.016 0.000 0.198 464 K C -0.220 176.268 176.600 -0.187 0.000 1.045 464 K CA 0.103 56.335 56.287 -0.092 0.000 0.988 464 K CB 0.203 32.678 32.500 -0.042 0.000 0.783 464 K HN 0.275 nan 8.250 nan 0.000 0.484 465 I N 2.644 123.063 120.570 -0.252 0.000 2.372 465 I HA 0.010 4.170 4.170 -0.016 0.000 0.298 465 I C 0.900 176.774 176.117 -0.406 0.000 1.137 465 I CA 0.589 61.634 61.300 -0.425 0.000 1.314 465 I CB 0.384 38.034 38.000 -0.583 0.000 1.444 465 I HN 0.076 nan 8.210 nan 0.000 0.541 466 R N 5.314 125.556 120.500 -0.430 0.000 2.307 466 R HA 0.148 4.478 4.340 -0.016 0.000 0.200 466 R C -0.464 175.737 176.300 -0.165 0.000 0.893 466 R CA 0.371 56.333 56.100 -0.229 0.000 1.042 466 R CB 0.219 30.480 30.300 -0.063 0.000 1.059 466 R HN 0.621 nan 8.270 nan 0.000 0.530 467 Y N -2.414 117.724 120.300 -0.269 0.000 2.552 467 Y HA 0.553 5.096 4.550 -0.013 0.000 0.337 467 Y C -1.347 174.342 175.900 -0.351 0.000 1.094 467 Y CA -2.369 55.594 58.100 -0.229 0.000 1.028 467 Y CB 0.232 38.656 38.460 -0.060 0.000 1.321 467 Y HN -0.191 nan 8.280 nan 0.000 0.456 468 Y N 0.723 121.106 120.300 0.138 0.000 2.387 468 Y HA 0.662 5.202 4.550 -0.017 0.000 0.336 468 Y C 0.051 176.039 175.900 0.147 0.000 1.067 468 Y CA -1.035 57.131 58.100 0.110 0.000 1.114 468 Y CB 2.278 40.721 38.460 -0.028 0.000 1.208 468 Y HN 0.663 nan 8.280 nan 0.000 0.458 469 T N 3.504 118.142 114.554 0.140 0.000 2.749 469 T HA 0.363 4.704 4.350 -0.016 0.000 0.287 469 T C -0.998 173.798 174.700 0.159 0.000 0.970 469 T CA -0.676 61.434 62.100 0.017 0.000 0.980 469 T CB -0.280 68.424 68.868 -0.272 0.000 0.924 469 T HN 0.504 nan 8.240 nan 0.000 0.456 470 Y N 1.733 122.132 120.300 0.166 0.000 2.487 470 Y HA 0.856 5.396 4.550 -0.017 0.000 0.337 470 Y C -1.442 174.597 175.900 0.230 0.000 1.076 470 Y CA -1.855 56.392 58.100 0.244 0.000 1.115 470 Y CB 0.869 39.527 38.460 0.331 0.000 1.235 470 Y HN 0.326 nan 8.280 nan 0.000 0.468 471 L N 4.519 125.941 121.223 0.332 0.000 2.436 471 L HA 0.443 4.773 4.340 -0.016 0.000 0.268 471 L C -1.025 176.033 176.870 0.313 0.000 0.974 471 L CA -0.742 54.246 54.840 0.247 0.000 0.826 471 L CB 1.992 44.212 42.059 0.268 0.000 1.291 471 L HN 0.567 nan 8.230 nan 0.000 0.406 472 I N 3.239 123.978 120.570 0.282 0.000 2.331 472 I HA 0.442 4.603 4.170 -0.016 0.000 0.292 472 I C -0.144 176.103 176.117 0.217 0.000 0.998 472 I CA -0.349 61.142 61.300 0.318 0.000 1.267 472 I CB 1.385 39.563 38.000 0.297 0.000 1.386 472 I HN 0.543 nan 8.210 nan 0.000 0.476 473 M N 6.059 125.805 119.600 0.243 0.000 2.336 473 M HA 0.394 4.864 4.480 -0.016 0.000 0.342 473 M C -0.381 176.020 176.300 0.168 0.000 1.128 473 M CA -0.177 55.220 55.300 0.162 0.000 1.016 473 M CB 1.773 34.454 32.600 0.134 0.000 1.665 473 M HN 0.627 nan 8.290 nan 0.000 0.445 474 N N 1.666 120.425 118.700 0.099 0.000 2.446 474 N HA 0.185 4.916 4.740 -0.016 0.000 0.272 474 N C -0.509 175.053 175.510 0.086 0.000 1.127 474 N CA -0.211 52.895 53.050 0.094 0.000 0.896 474 N CB 1.796 40.297 38.487 0.023 0.000 1.658 474 N HN 0.664 nan 8.380 nan 0.000 0.483 475 K N 1.190 121.660 120.400 0.115 0.000 3.290 475 K HA -0.267 4.044 4.320 -0.016 0.000 0.309 475 K C 0.671 177.361 176.600 0.150 0.000 1.207 475 K CA 1.394 57.784 56.287 0.173 0.000 0.939 475 K CB -1.177 31.456 32.500 0.223 0.000 1.230 475 K HN 0.984 nan 8.250 nan 0.000 0.428 476 G N 0.621 109.475 108.800 0.089 0.000 2.143 476 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.175 476 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.175 476 G C -0.117 174.795 174.900 0.019 0.000 1.004 476 G CA 0.223 45.354 45.100 0.051 0.000 0.671 476 G HN 0.561 nan 8.290 nan 0.000 0.512 477 R N -0.837 119.681 120.500 0.029 0.000 2.919 477 R HA 0.841 5.172 4.340 -0.016 0.000 0.260 477 R C -0.350 175.963 176.300 0.023 0.000 1.067 477 R CA -1.218 54.884 56.100 0.004 0.000 1.003 477 R CB 1.039 31.333 30.300 -0.009 0.000 1.192 477 R HN 0.095 nan 8.270 nan 0.000 0.488 478 L N 3.143 124.375 121.223 0.016 0.000 2.375 478 L HA 0.128 4.459 4.340 -0.016 0.000 0.276 478 L C 0.958 177.833 176.870 0.009 0.000 1.162 478 L CA -0.425 54.438 54.840 0.039 0.000 0.991 478 L CB 0.966 43.058 42.059 0.055 0.000 1.315 478 L HN 0.695 nan 8.230 nan 0.000 0.431 479 L N 2.799 124.015 121.223 -0.011 0.000 2.131 479 L HA -0.013 4.317 4.340 -0.016 0.000 0.210 479 L C 0.701 177.534 176.870 -0.061 0.000 1.092 479 L CA 1.684 56.472 54.840 -0.087 0.000 0.759 479 L CB -0.260 41.664 42.059 -0.226 0.000 0.903 479 L HN 0.536 nan 8.230 nan 0.000 0.435 480 K N -1.324 119.079 120.400 0.004 0.000 2.600 480 K HA 0.569 4.879 4.320 -0.016 0.000 0.262 480 K C -1.810 174.798 176.600 0.013 0.000 0.935 480 K CA -0.029 56.272 56.287 0.023 0.000 0.866 480 K CB 1.130 33.669 32.500 0.065 0.000 1.354 480 K HN -0.003 nan 8.250 nan 0.000 0.419 481 A N 1.735 124.518 122.820 -0.062 0.000 2.354 481 A HA 0.993 5.303 4.320 -0.016 0.000 0.321 481 A C -0.442 176.918 177.584 -0.373 0.000 1.125 481 A CA -0.145 51.776 52.037 -0.192 0.000 0.799 481 A CB 1.801 20.764 19.000 -0.062 0.000 1.293 481 A HN 0.885 nan 8.150 nan 0.000 0.452 482 G N 0.177 108.550 108.800 -0.712 0.000 2.495 482 G HA2 0.574 4.524 3.960 -0.016 0.000 0.294 482 G HA3 0.574 4.524 3.960 -0.016 0.000 0.294 482 G C -1.870 172.792 174.900 -0.397 0.000 1.397 482 G CA -0.812 43.933 45.100 -0.592 0.000 0.790 482 G HN 0.601 nan 8.290 nan 0.000 0.486 483 R N 0.145 120.645 120.500 0.000 0.000 2.561 483 R HA 0.501 4.831 4.340 -0.016 0.000 0.297 483 R C -1.194 175.251 176.300 0.241 0.000 0.969 483 R CA -0.893 55.280 56.100 0.121 0.000 0.879 483 R CB 1.992 32.278 30.300 -0.023 0.000 1.178 483 R HN 0.532 nan 8.270 nan 0.000 0.445 484 Q N 2.650 122.585 119.800 0.224 0.000 2.398 484 Q HA 0.214 4.544 4.340 -0.016 0.000 0.251 484 Q C -0.372 175.685 176.000 0.096 0.000 0.999 484 Q CA -0.588 55.244 55.803 0.049 0.000 0.874 484 Q CB 1.086 29.596 28.738 -0.380 0.000 1.215 484 Q HN 0.490 nan 8.270 nan 0.000 0.470 485 V N 2.350 122.311 119.914 0.078 0.000 2.763 485 V HA 0.398 4.508 4.120 -0.016 0.000 0.306 485 V C 0.032 176.168 176.094 0.069 0.000 1.059 485 V CA -0.348 62.002 62.300 0.083 0.000 1.138 485 V CB 0.673 32.533 31.823 0.060 0.000 0.940 485 V HN 0.799 nan 8.190 nan 0.000 0.489 486 R N 2.220 122.745 120.500 0.041 0.000 2.574 486 R HA 0.545 4.875 4.340 -0.016 0.000 0.288 486 R C -1.044 175.251 176.300 -0.008 0.000 1.004 486 R CA -0.631 55.484 56.100 0.025 0.000 0.895 486 R CB 2.126 32.419 30.300 -0.011 0.000 1.191 486 R HN 0.902 nan 8.270 nan 0.000 0.444 487 E N 3.337 123.541 120.200 0.006 0.000 2.250 487 E HA 0.383 4.724 4.350 -0.016 0.000 0.269 487 E C -2.470 174.121 176.600 -0.016 0.000 1.018 487 E CA -2.140 54.257 56.400 -0.004 0.000 0.873 487 E CB 1.020 30.724 29.700 0.007 0.000 1.134 487 E HN 0.362 nan 8.360 nan 0.000 0.403 488 P HA 0.122 nan 4.420 nan 0.000 0.267 488 P C 0.384 177.675 177.300 -0.016 0.000 1.205 488 P CA 0.849 63.931 63.100 -0.030 0.000 0.765 488 P CB 0.615 32.297 31.700 -0.029 0.000 0.828 489 G N 2.189 110.980 108.800 -0.016 0.000 2.213 489 G HA2 -0.242 3.709 3.960 -0.016 0.000 0.236 489 G HA3 -0.242 3.709 3.960 -0.016 0.000 0.236 489 G C 0.116 175.022 174.900 0.010 0.000 0.991 489 G CA -0.434 44.663 45.100 -0.004 0.000 0.629 489 G HN 0.571 nan 8.290 nan 0.000 0.517 490 Q N 1.097 120.907 119.800 0.017 0.000 2.423 490 Q HA 0.273 4.603 4.340 -0.016 0.000 0.235 490 Q C 0.553 176.590 176.000 0.061 0.000 1.100 490 Q CA -0.444 55.383 55.803 0.039 0.000 0.908 490 Q CB 0.649 29.415 28.738 0.047 0.000 1.312 490 Q HN 0.334 nan 8.270 nan 0.000 0.497 491 D N 1.104 121.537 120.400 0.055 0.000 2.097 491 D HA -0.113 4.517 4.640 -0.016 0.000 0.195 491 D C 0.237 176.593 176.300 0.094 0.000 0.989 491 D CA 1.181 55.224 54.000 0.071 0.000 0.827 491 D CB 0.353 41.187 40.800 0.055 0.000 0.966 491 D HN 0.259 nan 8.370 nan 0.000 0.456 492 L N 1.245 122.514 121.223 0.077 0.000 2.319 492 L HA 0.332 4.663 4.340 -0.016 0.000 0.281 492 L C -0.725 176.192 176.870 0.078 0.000 1.005 492 L CA -0.838 54.048 54.840 0.077 0.000 0.828 492 L CB 1.693 43.786 42.059 0.056 0.000 1.227 492 L HN -0.161 nan 8.230 nan 0.000 0.415 493 V N 3.178 123.151 119.914 0.098 0.000 2.864 493 V HA 0.841 4.951 4.120 -0.016 0.000 0.314 493 V C -0.633 175.533 176.094 0.120 0.000 1.073 493 V CA -0.767 61.583 62.300 0.083 0.000 0.956 493 V CB 1.792 33.653 31.823 0.064 0.000 1.023 493 V HN 0.455 nan 8.190 nan 0.000 0.435 494 V N 3.992 123.955 119.914 0.083 0.000 2.513 494 V HA 0.578 4.689 4.120 -0.016 0.000 0.299 494 V C -0.421 175.719 176.094 0.077 0.000 1.035 494 V CA -0.516 61.840 62.300 0.093 0.000 0.889 494 V CB 1.500 33.348 31.823 0.042 0.000 0.988 494 V HN 0.927 nan 8.190 nan 0.000 0.440 495 L N 7.400 128.688 121.223 0.109 0.000 2.294 495 L HA 0.673 5.003 4.340 -0.016 0.000 0.283 495 L C -2.615 174.253 176.870 -0.003 0.000 1.015 495 L CA -1.882 52.981 54.840 0.038 0.000 0.831 495 L CB 1.636 43.732 42.059 0.061 0.000 1.217 495 L HN 0.383 nan 8.230 nan 0.000 0.420 496 P HA 0.192 nan 4.420 nan 0.000 0.268 496 P C -1.023 176.263 177.300 -0.025 0.000 1.541 496 P CA -0.149 62.941 63.100 -0.016 0.000 1.093 496 P CB 0.448 32.146 31.700 -0.004 0.000 1.551 497 L N 3.075 124.267 121.223 -0.052 0.000 2.262 497 L HA 0.355 4.685 4.340 -0.016 0.000 0.288 497 L C 0.011 176.796 176.870 -0.142 0.000 1.035 497 L CA -0.026 54.772 54.840 -0.070 0.000 0.820 497 L CB 0.629 42.638 42.059 -0.083 0.000 1.204 497 L HN 0.055 nan 8.230 nan 0.000 0.424 498 S N 5.979 121.618 115.700 -0.101 0.000 2.531 498 S HA 0.421 4.881 4.470 -0.016 0.000 0.279 498 S C 0.030 174.429 174.600 -0.335 0.000 1.305 498 S CA -0.344 57.773 58.200 -0.137 0.000 1.058 498 S CB 0.238 63.419 63.200 -0.032 0.000 0.899 498 S HN 0.401 nan 8.310 nan 0.000 0.493 499 I N 4.431 124.758 120.570 -0.405 0.000 2.315 499 I HA 0.276 4.436 4.170 -0.016 0.000 0.291 499 I C 1.034 177.032 176.117 -0.198 0.000 1.006 499 I CA -0.245 60.651 61.300 -0.673 0.000 1.265 499 I CB 0.634 38.309 38.000 -0.543 0.000 1.387 499 I HN 0.649 nan 8.210 nan 0.000 0.475 500 T N 0.594 115.221 114.554 0.122 0.000 2.919 500 T HA 0.282 4.623 4.350 -0.016 0.000 0.282 500 T C 1.286 176.136 174.700 0.250 0.000 1.020 500 T CA -0.127 62.107 62.100 0.223 0.000 0.994 500 T CB 1.358 70.379 68.868 0.256 0.000 1.180 500 T HN 0.649 nan 8.240 nan 0.000 0.566 501 T N -1.882 112.763 114.554 0.151 0.000 3.025 501 T HA -0.075 4.266 4.350 -0.016 0.000 0.270 501 T C 0.883 175.658 174.700 0.125 0.000 1.126 501 T CA 1.049 63.225 62.100 0.125 0.000 1.105 501 T CB -0.649 68.281 68.868 0.102 0.000 0.884 501 T HN 0.577 nan 8.240 nan 0.000 0.522 502 D N 0.356 120.822 120.400 0.110 0.000 2.317 502 D HA 0.113 4.743 4.640 -0.016 0.000 0.211 502 D C 1.143 177.365 176.300 -0.130 0.000 0.966 502 D CA 0.444 54.425 54.000 -0.031 0.000 0.876 502 D CB -0.294 40.416 40.800 -0.150 0.000 0.927 502 D HN 0.522 nan 8.370 nan 0.000 0.519 503 F N 0.779 120.699 119.950 -0.051 0.000 2.615 503 F HA 0.167 4.684 4.527 -0.017 0.000 0.297 503 F C 1.286 177.072 175.800 -0.023 0.000 1.124 503 F CA -0.155 57.805 58.000 -0.066 0.000 1.451 503 F CB -0.008 38.851 39.000 -0.235 0.000 1.103 503 F HN -0.222 nan 8.300 nan 0.000 0.569 504 I N 3.337 123.946 120.570 0.065 0.000 2.775 504 I HA -0.072 4.088 4.170 -0.016 0.000 0.290 504 I C -1.218 174.650 176.117 -0.416 0.000 1.203 504 I CA -0.925 60.262 61.300 -0.190 0.000 1.433 504 I CB 0.455 38.312 38.000 -0.239 0.000 1.354 504 I HN -0.108 nan 8.210 nan 0.000 0.579 505 P HA 0.023 nan 4.420 nan 0.000 0.238 505 P C -0.091 177.176 177.300 -0.056 0.000 1.183 505 P CA 0.435 63.257 63.100 -0.463 0.000 0.813 505 P CB 0.485 31.805 31.700 -0.633 0.000 0.944 506 S N -0.161 115.595 115.700 0.092 0.000 2.564 506 S HA 0.746 5.206 4.470 -0.016 0.000 0.274 506 S C -1.006 173.831 174.600 0.396 0.000 1.124 506 S CA -0.767 57.617 58.200 0.307 0.000 0.869 506 S CB 1.479 64.946 63.200 0.445 0.000 1.105 506 S HN 0.086 nan 8.310 nan 0.000 0.472 507 F N -0.693 119.429 119.950 0.288 0.000 2.613 507 F HA 0.787 5.304 4.527 -0.017 0.000 0.310 507 F C -0.856 175.109 175.800 0.276 0.000 1.085 507 F CA -1.147 57.003 58.000 0.250 0.000 0.945 507 F CB 1.438 40.645 39.000 0.344 0.000 1.298 507 F HN 0.678 nan 8.300 nan 0.000 0.455 508 R N 2.642 123.273 120.500 0.218 0.000 2.460 508 R HA 0.605 4.935 4.340 -0.016 0.000 0.303 508 R C -1.677 174.782 176.300 0.266 0.000 0.968 508 R CA -1.124 55.046 56.100 0.117 0.000 0.889 508 R CB 2.001 32.351 30.300 0.083 0.000 1.123 508 R HN 0.660 nan 8.270 nan 0.000 0.455 509 L N 5.281 126.611 121.223 0.177 0.000 2.294 509 L HA 0.397 4.727 4.340 -0.016 0.000 0.283 509 L C -0.858 176.107 176.870 0.159 0.000 1.015 509 L CA -0.638 54.354 54.840 0.254 0.000 0.831 509 L CB 1.491 43.682 42.059 0.219 0.000 1.217 509 L HN 0.455 nan 8.230 nan 0.000 0.420 510 V N 2.851 122.889 119.914 0.207 0.000 2.495 510 V HA 1.019 5.129 4.120 -0.016 0.000 0.298 510 V C -0.212 176.029 176.094 0.245 0.000 1.031 510 V CA -0.488 61.899 62.300 0.144 0.000 0.871 510 V CB 1.110 32.979 31.823 0.077 0.000 0.988 510 V HN 0.957 nan 8.190 nan 0.000 0.432 511 A N 4.686 127.638 122.820 0.221 0.000 2.475 511 A HA 1.035 5.346 4.320 -0.016 0.000 0.301 511 A C -1.159 176.632 177.584 0.346 0.000 1.059 511 A CA -0.651 51.603 52.037 0.362 0.000 0.710 511 A CB 1.996 21.329 19.000 0.555 0.000 1.288 511 A HN 2.128 nan 8.150 nan 0.000 0.408 512 Y N -0.973 119.522 120.300 0.324 0.000 2.638 512 Y HA 0.768 5.307 4.550 -0.018 0.000 0.335 512 Y C -1.360 174.713 175.900 0.289 0.000 1.155 512 Y CA -1.724 56.483 58.100 0.178 0.000 1.046 512 Y CB 0.744 39.204 38.460 0.000 0.000 1.303 512 Y HN 1.113 nan 8.280 nan 0.000 0.460 513 Y N -0.758 119.755 120.300 0.354 0.000 2.576 513 Y HA 0.854 5.395 4.550 -0.015 0.000 0.346 513 Y C -0.908 175.052 175.900 0.099 0.000 1.018 513 Y CA -1.120 57.030 58.100 0.084 0.000 1.050 513 Y CB 1.882 40.253 38.460 -0.147 0.000 1.280 513 Y HN 0.946 nan 8.280 nan 0.000 0.474 514 T N 3.990 118.605 114.554 0.101 0.000 2.906 514 T HA 0.815 5.156 4.350 -0.016 0.000 0.295 514 T C -1.472 173.182 174.700 -0.075 0.000 1.061 514 T CA -0.572 61.493 62.100 -0.059 0.000 1.000 514 T CB 1.018 69.761 68.868 -0.209 0.000 1.103 514 T HN 1.226 nan 8.240 nan 0.000 0.486 515 L N 0.911 122.090 121.223 -0.073 0.000 2.869 515 L HA 0.743 5.073 4.340 -0.016 0.000 0.265 515 L C -2.033 174.787 176.870 -0.083 0.000 1.011 515 L CA -1.328 53.469 54.840 -0.072 0.000 0.913 515 L CB 1.318 43.352 42.059 -0.042 0.000 1.490 515 L HN 0.513 nan 8.230 nan 0.000 0.410 516 I N 1.750 122.277 120.570 -0.070 0.000 2.365 516 I HA 0.831 4.992 4.170 -0.016 0.000 0.291 516 I C 0.757 176.806 176.117 -0.114 0.000 1.004 516 I CA 0.761 62.016 61.300 -0.076 0.000 1.311 516 I CB 1.290 39.265 38.000 -0.042 0.000 1.401 516 I HN 0.894 nan 8.210 nan 0.000 0.491 517 G N 2.819 111.505 108.800 -0.190 0.000 3.111 517 G HA2 0.587 4.537 3.960 -0.016 0.000 0.158 517 G HA3 0.587 4.537 3.960 -0.016 0.000 0.158 517 G C 0.507 175.250 174.900 -0.263 0.000 1.161 517 G CA 0.302 45.152 45.100 -0.417 0.000 1.025 517 G HN 0.802 nan 8.290 nan 0.000 0.619 518 A N -0.132 122.516 122.820 -0.287 0.000 4.797 518 A HA -0.285 4.025 4.320 -0.016 0.000 0.360 518 A C 1.745 179.300 177.584 -0.048 0.000 1.577 518 A CA 3.664 55.628 52.037 -0.122 0.000 0.755 518 A CB -1.661 17.282 19.000 -0.096 0.000 1.437 518 A HN 2.121 nan 8.150 nan 0.000 0.416 519 S N -0.474 115.202 115.700 -0.040 0.000 2.474 519 S HA 0.483 4.943 4.470 -0.016 0.000 0.224 519 S C 0.607 175.196 174.600 -0.018 0.000 1.209 519 S CA 1.026 59.217 58.200 -0.014 0.000 1.212 519 S CB -0.637 62.557 63.200 -0.009 0.000 1.137 519 S HN 2.625 nan 8.310 nan 0.000 0.446 520 G N 2.048 110.834 108.800 -0.025 0.000 2.182 520 G HA2 -0.227 3.723 3.960 -0.016 0.000 0.248 520 G HA3 -0.227 3.723 3.960 -0.016 0.000 0.248 520 G C -0.271 174.606 174.900 -0.039 0.000 1.042 520 G CA 0.342 45.427 45.100 -0.025 0.000 0.775 520 G HN 0.653 nan 8.290 nan 0.000 0.501 521 Q N -0.826 118.939 119.800 -0.058 0.000 2.282 521 Q HA 0.604 4.935 4.340 -0.016 0.000 0.260 521 Q C 0.403 176.355 176.000 -0.082 0.000 0.964 521 Q CA -1.196 54.569 55.803 -0.063 0.000 0.880 521 Q CB 0.900 29.599 28.738 -0.065 0.000 1.286 521 Q HN 0.283 nan 8.270 nan 0.000 0.445 522 R N 2.696 123.151 120.500 -0.075 0.000 2.267 522 R HA 0.126 4.457 4.340 -0.016 0.000 0.319 522 R C -1.177 175.045 176.300 -0.131 0.000 1.067 522 R CA 0.238 56.283 56.100 -0.091 0.000 0.936 522 R CB 0.606 30.864 30.300 -0.070 0.000 1.006 522 R HN 0.638 nan 8.270 nan 0.000 0.452 523 E N 3.364 123.469 120.200 -0.157 0.000 2.210 523 E HA 0.427 4.767 4.350 -0.016 0.000 0.266 523 E C -1.450 174.976 176.600 -0.290 0.000 0.883 523 E CA -0.976 55.294 56.400 -0.216 0.000 0.761 523 E CB 1.528 31.130 29.700 -0.163 0.000 1.156 523 E HN 0.392 nan 8.360 nan 0.000 0.412 524 V N 4.639 124.258 119.914 -0.490 0.000 2.448 524 V HA 0.395 4.506 4.120 -0.016 0.000 0.295 524 V C -0.635 175.127 176.094 -0.554 0.000 1.025 524 V CA -0.794 61.152 62.300 -0.590 0.000 0.859 524 V CB 1.675 32.980 31.823 -0.863 0.000 0.988 524 V HN 0.514 nan 8.190 nan 0.000 0.431 525 V N 4.143 123.713 119.914 -0.574 0.000 2.407 525 V HA 0.874 4.985 4.120 -0.016 0.000 0.291 525 V C 0.211 176.077 176.094 -0.379 0.000 1.018 525 V CA -0.304 61.688 62.300 -0.513 0.000 0.842 525 V CB 1.519 32.853 31.823 -0.814 0.000 0.996 525 V HN 1.019 nan 8.190 nan 0.000 0.426 526 A N 3.638 126.395 122.820 -0.104 0.000 2.423 526 A HA 0.948 5.258 4.320 -0.016 0.000 0.304 526 A C -1.317 176.248 177.584 -0.031 0.000 1.104 526 A CA -0.510 51.496 52.037 -0.051 0.000 0.757 526 A CB 2.030 20.889 19.000 -0.236 0.000 1.313 526 A HN 0.751 nan 8.150 nan 0.000 0.423 527 D N -0.605 119.782 120.400 -0.021 0.000 2.837 527 D HA 0.567 5.197 4.640 -0.016 0.000 0.220 527 D C -0.423 175.865 176.300 -0.021 0.000 1.236 527 D CA 0.210 54.204 54.000 -0.010 0.000 0.838 527 D CB 1.976 42.763 40.800 -0.022 0.000 1.647 527 D HN 0.706 nan 8.370 nan 0.000 0.486 528 S N 1.052 116.752 115.700 0.001 0.000 2.726 528 S HA 0.908 5.369 4.470 -0.016 0.000 0.308 528 S C -0.882 173.729 174.600 0.018 0.000 1.115 528 S CA -0.755 57.451 58.200 0.010 0.000 0.965 528 S CB 1.908 65.120 63.200 0.020 0.000 1.145 528 S HN 0.681 nan 8.310 nan 0.000 0.532 529 V N 0.484 120.412 119.914 0.023 0.000 3.023 529 V HA 0.593 4.703 4.120 -0.016 0.000 0.294 529 V C -2.437 173.685 176.094 0.047 0.000 1.324 529 V CA -0.536 61.773 62.300 0.014 0.000 0.979 529 V CB 2.069 33.843 31.823 -0.082 0.000 1.093 529 V HN 1.072 nan 8.190 nan 0.000 0.434 530 W N 7.066 128.268 121.300 -0.163 0.000 2.361 530 W HA 0.772 5.421 4.660 -0.017 0.000 0.314 530 W C -1.509 174.820 176.519 -0.316 0.000 1.041 530 W CA -1.155 56.055 57.345 -0.225 0.000 1.241 530 W CB 1.357 30.744 29.460 -0.121 0.000 1.279 530 W HN 0.443 nan 8.180 nan 0.000 0.436 531 V N 6.709 126.403 119.914 -0.367 0.000 2.417 531 V HA 0.162 4.272 4.120 -0.016 0.000 0.291 531 V C -0.223 175.658 176.094 -0.355 0.000 1.024 531 V CA -0.669 61.293 62.300 -0.564 0.000 0.861 531 V CB 1.411 32.755 31.823 -0.800 0.000 0.985 531 V HN 0.462 nan 8.190 nan 0.000 0.436 532 D N 3.432 123.618 120.400 -0.357 0.000 2.256 532 D HA 0.486 5.116 4.640 -0.016 0.000 0.250 532 D C -0.608 175.685 176.300 -0.013 0.000 1.093 532 D CA 0.171 54.079 54.000 -0.153 0.000 0.882 532 D CB 1.755 42.391 40.800 -0.274 0.000 1.185 532 D HN 0.268 nan 8.370 nan 0.000 0.437 533 V N 3.187 123.138 119.914 0.061 0.000 2.769 533 V HA 0.242 4.352 4.120 -0.016 0.000 0.312 533 V C -0.124 175.959 176.094 -0.017 0.000 1.061 533 V CA -1.171 61.164 62.300 0.058 0.000 0.931 533 V CB 1.856 33.760 31.823 0.135 0.000 1.010 533 V HN 0.525 nan 8.190 nan 0.000 0.433 534 K N 2.972 123.360 120.400 -0.019 0.000 2.405 534 K HA -0.040 4.270 4.320 -0.016 0.000 0.276 534 K C -0.408 176.162 176.600 -0.050 0.000 1.099 534 K CA 0.455 56.725 56.287 -0.027 0.000 1.120 534 K CB -0.616 31.876 32.500 -0.013 0.000 0.877 534 K HN 0.587 nan 8.250 nan 0.000 0.472 535 D N 2.627 122.987 120.400 -0.066 0.000 2.425 535 D HA 0.182 4.812 4.640 -0.016 0.000 0.247 535 D C -0.057 176.266 176.300 0.038 0.000 1.147 535 D CA 0.436 54.370 54.000 -0.111 0.000 0.879 535 D CB 0.792 41.548 40.800 -0.074 0.000 1.179 535 D HN 0.688 nan 8.370 nan 0.000 0.456 536 S N 0.423 116.207 115.700 0.140 0.000 2.930 536 S HA 0.408 4.868 4.470 -0.016 0.000 0.306 536 S C -0.861 173.997 174.600 0.431 0.000 1.238 536 S CA -0.917 57.424 58.200 0.234 0.000 1.000 536 S CB 0.479 63.751 63.200 0.120 0.000 1.342 536 S HN 0.467 nan 8.310 nan 0.000 0.575 537 C N 1.725 121.169 119.300 0.240 0.000 2.401 537 C HA 0.559 5.009 4.460 -0.016 0.000 0.365 537 C C 2.362 177.479 174.990 0.212 0.000 1.250 537 C CA -0.200 58.939 59.018 0.201 0.000 2.131 537 C CB 0.663 28.444 27.740 0.068 0.000 2.445 537 C HN 0.628 nan 8.230 nan 0.000 0.550 538 V N 3.348 123.404 119.914 0.237 0.000 2.407 538 V HA 0.004 4.114 4.120 -0.016 0.000 0.248 538 V C 1.675 177.839 176.094 0.118 0.000 1.055 538 V CA 2.316 64.737 62.300 0.202 0.000 1.049 538 V CB -1.432 30.509 31.823 0.197 0.000 0.662 538 V HN 1.064 nan 8.190 nan 0.000 0.455 539 G N -0.436 108.415 108.800 0.084 0.000 3.345 539 G HA2 0.541 4.492 3.960 -0.016 0.000 0.202 539 G HA3 0.541 4.492 3.960 -0.016 0.000 0.202 539 G C -0.187 174.742 174.900 0.048 0.000 1.740 539 G CA 0.558 45.693 45.100 0.058 0.000 0.806 539 G HN 0.804 nan 8.290 nan 0.000 0.718 540 S N -1.565 114.154 115.700 0.031 0.000 2.556 540 S HA 0.568 5.028 4.470 -0.016 0.000 0.280 540 S C -1.887 172.719 174.600 0.010 0.000 1.141 540 S CA -0.599 57.614 58.200 0.023 0.000 0.883 540 S CB 1.802 65.017 63.200 0.026 0.000 1.103 540 S HN 1.140 nan 8.310 nan 0.000 0.453 541 L N 2.402 123.626 121.223 0.001 0.000 2.541 541 L HA 0.752 5.083 4.340 -0.016 0.000 0.266 541 L C -1.728 175.140 176.870 -0.004 0.000 0.966 541 L CA -0.259 54.578 54.840 -0.006 0.000 0.871 541 L CB 1.703 43.747 42.059 -0.024 0.000 1.232 541 L HN 0.762 nan 8.230 nan 0.000 0.408 542 V N 5.321 125.237 119.914 0.003 0.000 2.495 542 V HA 0.664 4.774 4.120 -0.016 0.000 0.298 542 V C -0.523 175.574 176.094 0.005 0.000 1.031 542 V CA -0.703 61.599 62.300 0.004 0.000 0.871 542 V CB 2.068 33.896 31.823 0.008 0.000 0.988 542 V HN 0.445 nan 8.190 nan 0.000 0.432 543 V N 5.777 125.694 119.914 0.005 0.000 2.448 543 V HA 0.682 4.792 4.120 -0.016 0.000 0.295 543 V C -0.093 176.007 176.094 0.011 0.000 1.025 543 V CA -0.601 61.705 62.300 0.009 0.000 0.859 543 V CB 1.393 33.222 31.823 0.010 0.000 0.988 543 V HN 1.075 nan 8.190 nan 0.000 0.431 544 K N 1.835 122.243 120.400 0.012 0.000 2.234 544 K HA 0.692 5.003 4.320 -0.016 0.000 0.263 544 K C -0.559 176.050 176.600 0.014 0.000 1.006 544 K CA -0.757 55.538 56.287 0.013 0.000 0.854 544 K CB 1.591 34.098 32.500 0.012 0.000 1.497 544 K HN 0.367 nan 8.250 nan 0.000 0.417 545 S N -0.859 114.850 115.700 0.014 0.000 2.499 545 S HA 0.295 4.755 4.470 -0.016 0.000 0.275 545 S C 0.923 175.530 174.600 0.012 0.000 1.257 545 S CA -0.081 58.128 58.200 0.014 0.000 1.050 545 S CB 0.392 63.601 63.200 0.014 0.000 0.937 545 S HN 0.700 nan 8.310 nan 0.000 0.490 546 G N 3.601 112.408 108.800 0.012 0.000 2.394 546 G HA2 -0.016 3.934 3.960 -0.016 0.000 0.215 546 G HA3 -0.016 3.934 3.960 -0.016 0.000 0.215 546 G C 0.161 175.066 174.900 0.009 0.000 1.165 546 G CA 0.253 45.359 45.100 0.010 0.000 0.784 546 G HN 0.713 nan 8.290 nan 0.000 0.535 547 Q N 1.054 120.859 119.800 0.009 0.000 2.289 547 Q HA 0.352 4.682 4.340 -0.016 0.000 0.273 547 Q C 0.435 176.440 176.000 0.009 0.000 1.029 547 Q CA 0.134 55.942 55.803 0.008 0.000 0.896 547 Q CB 1.144 29.887 28.738 0.008 0.000 1.182 547 Q HN 0.279 nan 8.270 nan 0.000 0.385 548 S N 2.156 117.861 115.700 0.007 0.000 3.513 548 S HA 0.321 4.781 4.470 -0.016 0.000 0.209 548 S C -0.109 174.496 174.600 0.007 0.000 1.446 548 S CA -0.514 57.691 58.200 0.007 0.000 1.150 548 S CB -0.150 63.053 63.200 0.006 0.000 1.266 548 S HN 0.700 nan 8.310 nan 0.000 0.502 549 E N 0.121 120.325 120.200 0.008 0.000 2.373 549 E HA 0.219 4.560 4.350 -0.016 0.000 0.272 549 E C -1.876 174.729 176.600 0.009 0.000 1.231 549 E CA -0.568 55.837 56.400 0.008 0.000 0.906 549 E CB 0.421 30.125 29.700 0.007 0.000 1.397 549 E HN 0.255 nan 8.360 nan 0.000 0.410 550 D N -0.639 119.766 120.400 0.009 0.000 10.696 550 D HA -0.080 4.550 4.640 -0.016 0.000 0.353 550 D C -0.727 175.580 176.300 0.011 0.000 3.125 550 D CA 0.951 54.957 54.000 0.009 0.000 2.612 550 D CB 0.049 40.853 40.800 0.008 0.000 1.223 550 D HN 0.437 nan 8.370 nan 0.000 0.947 551 R N 0.168 120.675 120.500 0.011 0.000 2.515 551 R HA 0.515 4.845 4.340 -0.016 0.000 0.209 551 R C 0.189 176.499 176.300 0.016 0.000 1.255 551 R CA -0.354 55.755 56.100 0.015 0.000 1.006 551 R CB -0.020 30.288 30.300 0.014 0.000 1.839 551 R HN 0.393 nan 8.270 nan 0.000 0.514 552 Q N 1.646 121.458 119.800 0.020 0.000 2.392 552 Q HA 0.191 4.521 4.340 -0.016 0.000 0.262 552 Q C -1.821 174.188 176.000 0.015 0.000 1.003 552 Q CA -1.319 54.498 55.803 0.022 0.000 0.888 552 Q CB 0.165 28.922 28.738 0.031 0.000 1.260 552 Q HN 0.377 nan 8.270 nan 0.000 0.435 553 P HA 0.190 nan 4.420 nan 0.000 0.276 553 P C -0.982 176.319 177.300 0.002 0.000 1.261 553 P CA -0.351 62.754 63.100 0.008 0.000 0.800 553 P CB 0.777 32.484 31.700 0.011 0.000 1.066 554 V N 1.483 121.395 119.914 -0.004 0.000 2.628 554 V HA 0.287 4.397 4.120 -0.016 0.000 0.306 554 V C -2.236 173.850 176.094 -0.013 0.000 1.045 554 V CA -2.078 60.214 62.300 -0.013 0.000 0.905 554 V CB 1.336 33.150 31.823 -0.016 0.000 0.997 554 V HN 0.534 nan 8.190 nan 0.000 0.436 555 P HA 0.143 nan 4.420 nan 0.000 0.253 555 P C 0.748 178.039 177.300 -0.014 0.000 1.159 555 P CA 1.584 64.673 63.100 -0.019 0.000 0.779 555 P CB -0.007 31.675 31.700 -0.030 0.000 0.745 556 G N 1.811 110.606 108.800 -0.009 0.000 2.144 556 G HA2 -0.231 3.719 3.960 -0.016 0.000 0.218 556 G HA3 -0.231 3.719 3.960 -0.016 0.000 0.218 556 G C 0.066 174.964 174.900 -0.005 0.000 0.988 556 G CA -0.380 44.716 45.100 -0.007 0.000 0.659 556 G HN 0.617 nan 8.290 nan 0.000 0.522 557 Q N 0.175 119.973 119.800 -0.003 0.000 2.259 557 Q HA 0.549 4.879 4.340 -0.016 0.000 0.246 557 Q C 0.240 176.241 176.000 0.002 0.000 0.920 557 Q CA -0.353 55.450 55.803 -0.001 0.000 0.895 557 Q CB 0.467 29.205 28.738 -0.000 0.000 1.220 557 Q HN 0.508 nan 8.270 nan 0.000 0.439 558 Q N 3.460 123.261 119.800 0.002 0.000 2.274 558 Q HA 0.394 4.724 4.340 -0.016 0.000 0.256 558 Q C -0.674 175.329 176.000 0.006 0.000 0.927 558 Q CA -0.200 55.605 55.803 0.004 0.000 0.939 558 Q CB 1.316 30.055 28.738 0.003 0.000 1.201 558 Q HN 0.582 nan 8.270 nan 0.000 0.426 559 M N -0.740 118.864 119.600 0.008 0.000 2.572 559 M HA 0.589 5.059 4.480 -0.016 0.000 0.299 559 M C -0.936 175.370 176.300 0.010 0.000 1.205 559 M CA -0.773 54.533 55.300 0.009 0.000 0.876 559 M CB 2.218 34.825 32.600 0.011 0.000 1.728 559 M HN 0.142 nan 8.290 nan 0.000 0.458 560 T N 3.119 117.679 114.554 0.010 0.000 2.780 560 T HA 0.527 4.867 4.350 -0.016 0.000 0.294 560 T C -0.871 173.837 174.700 0.012 0.000 0.949 560 T CA -0.415 61.691 62.100 0.010 0.000 1.074 560 T CB 0.783 69.657 68.868 0.009 0.000 0.910 560 T HN 0.560 nan 8.240 nan 0.000 0.501 561 L N 4.432 125.662 121.223 0.013 0.000 2.301 561 L HA 0.431 4.762 4.340 -0.016 0.000 0.278 561 L C 0.108 176.987 176.870 0.014 0.000 1.022 561 L CA -0.486 54.363 54.840 0.014 0.000 0.854 561 L CB 0.643 42.711 42.059 0.016 0.000 1.226 561 L HN 0.467 nan 8.230 nan 0.000 0.429 562 K N 5.390 125.797 120.400 0.013 0.000 2.322 562 K HA 0.427 4.738 4.320 -0.016 0.000 0.283 562 K C -1.061 175.547 176.600 0.013 0.000 1.042 562 K CA -0.193 56.102 56.287 0.013 0.000 0.958 562 K CB 0.524 33.031 32.500 0.012 0.000 0.984 562 K HN 0.672 nan 8.250 nan 0.000 0.473 563 I N 4.277 124.856 120.570 0.014 0.000 2.439 563 I HA 0.172 4.333 4.170 -0.016 0.000 0.285 563 I C -0.667 175.459 176.117 0.016 0.000 1.021 563 I CA -0.587 60.721 61.300 0.014 0.000 1.091 563 I CB 1.908 39.917 38.000 0.015 0.000 1.242 563 I HN 0.596 nan 8.210 nan 0.000 0.439 564 E N 5.129 125.338 120.200 0.014 0.000 2.113 564 E HA 0.643 4.983 4.350 -0.016 0.000 0.273 564 E C -0.093 176.517 176.600 0.018 0.000 0.924 564 E CA -0.459 55.951 56.400 0.017 0.000 0.764 564 E CB 2.292 32.001 29.700 0.014 0.000 1.104 564 E HN 0.796 nan 8.360 nan 0.000 0.406 565 G N 2.342 111.157 108.800 0.025 0.000 2.749 565 G HA2 0.197 4.147 3.960 -0.016 0.000 0.300 565 G HA3 0.197 4.147 3.960 -0.016 0.000 0.300 565 G C -1.189 173.736 174.900 0.043 0.000 1.352 565 G CA -0.751 44.365 45.100 0.026 0.000 0.789 565 G HN 0.366 nan 8.290 nan 0.000 0.509 566 D N 0.473 120.898 120.400 0.041 0.000 2.350 566 D HA 0.218 4.848 4.640 -0.016 0.000 0.249 566 D C 0.002 176.355 176.300 0.090 0.000 1.119 566 D CA 0.145 54.181 54.000 0.061 0.000 0.886 566 D CB 1.323 42.148 40.800 0.040 0.000 1.195 566 D HN 0.356 nan 8.370 nan 0.000 0.437 567 H N 0.382 119.458 119.070 0.010 0.000 3.034 567 H HA 0.219 4.765 4.556 -0.016 0.000 0.324 567 H C 1.417 176.751 175.328 0.010 0.000 1.015 567 H CA 1.481 57.534 56.048 0.010 0.000 1.429 567 H CB 0.308 30.076 29.762 0.010 0.000 1.429 567 H HN 0.669 nan 8.280 nan 0.000 0.585 568 G N 2.473 111.032 108.800 -0.401 0.000 2.284 568 G HA2 -0.234 3.717 3.960 -0.016 0.000 0.230 568 G HA3 -0.234 3.717 3.960 -0.016 0.000 0.230 568 G C 0.640 175.456 174.900 -0.140 0.000 1.021 568 G CA 0.135 45.017 45.100 -0.364 0.000 0.619 568 G HN 1.042 nan 8.290 nan 0.000 0.510 569 A N 0.306 123.082 122.820 -0.073 0.000 2.429 569 A HA 0.628 4.938 4.320 -0.016 0.000 0.242 569 A C 0.736 178.307 177.584 -0.021 0.000 1.088 569 A CA 1.203 53.219 52.037 -0.034 0.000 0.784 569 A CB 0.231 19.220 19.000 -0.018 0.000 1.038 569 A HN 1.149 nan 8.150 nan 0.000 0.501 570 R N 0.399 120.895 120.500 -0.007 0.000 2.494 570 R HA 0.574 4.904 4.340 -0.016 0.000 0.305 570 R C -1.810 174.499 176.300 0.015 0.000 0.959 570 R CA -0.443 55.661 56.100 0.008 0.000 0.864 570 R CB 1.348 31.659 30.300 0.018 0.000 1.159 570 R HN 0.479 nan 8.270 nan 0.000 0.446 571 V N 5.087 125.012 119.914 0.019 0.000 2.459 571 V HA 0.398 4.508 4.120 -0.016 0.000 0.295 571 V C -0.225 175.893 176.094 0.040 0.000 1.029 571 V CA -0.827 61.485 62.300 0.020 0.000 0.874 571 V CB 1.602 33.432 31.823 0.012 0.000 0.985 571 V HN 0.616 nan 8.190 nan 0.000 0.438 572 V N 3.861 123.811 119.914 0.060 0.000 2.350 572 V HA 0.657 4.767 4.120 -0.016 0.000 0.285 572 V C -0.386 175.752 176.094 0.073 0.000 1.014 572 V CA -0.547 61.803 62.300 0.084 0.000 0.831 572 V CB 0.880 32.796 31.823 0.155 0.000 1.000 572 V HN 0.666 nan 8.190 nan 0.000 0.433 573 L N 4.697 125.953 121.223 0.055 0.000 2.416 573 L HA 0.930 5.260 4.340 -0.016 0.000 0.263 573 L C -0.083 176.822 176.870 0.058 0.000 1.065 573 L CA -1.041 53.829 54.840 0.050 0.000 0.798 573 L CB 1.784 43.865 42.059 0.036 0.000 1.267 573 L HN 0.597 nan 8.230 nan 0.000 0.467 574 V N -0.237 119.712 119.914 0.059 0.000 3.036 574 V HA 0.746 4.856 4.120 -0.016 0.000 0.288 574 V C -1.718 174.416 176.094 0.066 0.000 1.407 574 V CA -0.253 62.085 62.300 0.064 0.000 0.983 574 V CB 2.091 33.964 31.823 0.085 0.000 1.128 574 V HN 0.882 nan 8.190 nan 0.000 0.439 575 A N 5.608 128.462 122.820 0.056 0.000 2.340 575 A HA 0.859 5.169 4.320 -0.016 0.000 0.297 575 A C -1.145 176.465 177.584 0.043 0.000 1.195 575 A CA -0.459 51.612 52.037 0.057 0.000 0.769 575 A CB 1.549 20.574 19.000 0.041 0.000 1.163 575 A HN 1.256 nan 8.150 nan 0.000 0.472 576 V N 1.973 121.924 119.914 0.063 0.000 2.581 576 V HA 0.310 4.420 4.120 -0.016 0.000 0.303 576 V C -0.150 175.909 176.094 -0.059 0.000 1.041 576 V CA -0.777 61.508 62.300 -0.026 0.000 0.907 576 V CB 1.909 33.699 31.823 -0.055 0.000 0.994 576 V HN 0.893 nan 8.190 nan 0.000 0.442 577 D N 3.057 123.375 120.400 -0.137 0.000 2.346 577 D HA 0.080 4.710 4.640 -0.016 0.000 0.260 577 D C 1.148 177.339 176.300 -0.181 0.000 1.252 577 D CA 0.117 54.056 54.000 -0.103 0.000 0.895 577 D CB 0.871 41.623 40.800 -0.080 0.000 1.097 577 D HN 0.464 nan 8.370 nan 0.000 0.489 578 K N 2.248 122.631 120.400 -0.028 0.000 2.444 578 K HA -0.159 4.151 4.320 -0.016 0.000 0.200 578 K C 1.689 178.272 176.600 -0.027 0.000 1.045 578 K CA 0.848 57.177 56.287 0.069 0.000 0.934 578 K CB 0.038 32.633 32.500 0.159 0.000 0.756 578 K HN 0.531 nan 8.250 nan 0.000 0.477 579 G N 0.842 109.593 108.800 -0.082 0.000 2.418 579 G HA2 -0.217 3.734 3.960 -0.016 0.000 0.217 579 G HA3 -0.217 3.734 3.960 -0.016 0.000 0.217 579 G C 1.513 176.300 174.900 -0.187 0.000 1.158 579 G CA 0.610 45.656 45.100 -0.090 0.000 0.771 579 G HN 0.120 nan 8.290 nan 0.000 0.545 580 V N 0.810 120.520 119.914 -0.341 0.000 2.282 580 V HA -0.191 3.919 4.120 -0.016 0.000 0.249 580 V C 2.360 178.220 176.094 -0.389 0.000 1.057 580 V CA 1.578 63.593 62.300 -0.474 0.000 1.032 580 V CB -0.711 30.689 31.823 -0.704 0.000 0.645 580 V HN 0.336 nan 8.190 nan 0.000 0.447 581 F N -0.453 119.445 119.950 -0.086 0.000 2.805 581 F HA 0.073 4.591 4.527 -0.016 0.000 0.301 581 F C 1.840 177.591 175.800 -0.082 0.000 1.196 581 F CA 0.053 58.009 58.000 -0.074 0.000 1.439 581 F CB -1.145 37.828 39.000 -0.045 0.000 1.117 581 F HN -0.015 nan 8.300 nan 0.000 0.581 582 V N -1.129 118.785 119.914 -0.001 0.000 2.878 582 V HA -0.133 3.978 4.120 -0.016 0.000 0.250 582 V C 2.079 178.119 176.094 -0.090 0.000 1.075 582 V CA 0.855 63.120 62.300 -0.059 0.000 1.096 582 V CB -0.235 31.513 31.823 -0.126 0.000 0.724 582 V HN 0.159 nan 8.190 nan 0.000 0.467 583 L N -0.257 120.891 121.223 -0.125 0.000 2.084 583 L HA 0.250 4.580 4.340 -0.016 0.000 0.202 583 L C 0.890 177.702 176.870 -0.096 0.000 1.074 583 L CA 1.417 56.165 54.840 -0.154 0.000 0.757 583 L CB -0.533 41.349 42.059 -0.295 0.000 0.918 583 L HN 0.389 nan 8.230 nan 0.000 0.444 584 N N -0.638 118.027 118.700 -0.059 0.000 2.478 584 N HA 0.153 4.883 4.740 -0.016 0.000 0.291 584 N C -0.247 175.354 175.510 0.152 0.000 1.090 584 N CA -0.148 52.914 53.050 0.019 0.000 0.911 584 N CB 1.447 39.931 38.487 -0.005 0.000 1.546 584 N HN 0.206 nan 8.380 nan 0.000 0.500 585 K N 1.046 121.521 120.400 0.125 0.000 2.387 585 K HA 0.321 4.632 4.320 -0.016 0.000 0.203 585 K C -0.128 176.500 176.600 0.046 0.000 1.030 585 K CA -0.184 56.171 56.287 0.114 0.000 1.099 585 K CB 0.599 33.116 32.500 0.028 0.000 0.863 585 K HN 0.192 nan 8.250 nan 0.000 0.529 586 K N 1.466 121.909 120.400 0.073 0.000 2.098 586 K HA 0.212 4.522 4.320 -0.016 0.000 0.257 586 K C -0.509 176.144 176.600 0.088 0.000 0.999 586 K CA -0.463 55.860 56.287 0.060 0.000 0.924 586 K CB 0.610 33.145 32.500 0.057 0.000 1.028 586 K HN 0.200 nan 8.250 nan 0.000 0.466 587 N N 0.450 119.197 118.700 0.078 0.000 2.776 587 N HA -0.187 4.543 4.740 -0.016 0.000 0.249 587 N C -0.995 174.578 175.510 0.105 0.000 1.111 587 N CA 0.487 53.599 53.050 0.103 0.000 0.711 587 N CB -0.783 37.789 38.487 0.141 0.000 1.065 587 N HN 0.437 nan 8.380 nan 0.000 0.556 588 K N 0.363 120.797 120.400 0.057 0.000 2.138 588 K HA 0.381 4.691 4.320 -0.016 0.000 0.251 588 K C -0.034 176.582 176.600 0.026 0.000 1.015 588 K CA -0.599 55.707 56.287 0.032 0.000 0.917 588 K CB 0.722 33.182 32.500 -0.067 0.000 1.021 588 K HN 0.032 nan 8.250 nan 0.000 0.485 589 L N 1.067 122.302 121.223 0.021 0.000 2.292 589 L HA 0.290 4.620 4.340 -0.016 0.000 0.284 589 L C -0.801 176.018 176.870 -0.085 0.000 1.065 589 L CA 0.619 55.449 54.840 -0.018 0.000 0.806 589 L CB 1.375 43.446 42.059 0.019 0.000 1.175 589 L HN 0.540 nan 8.230 nan 0.000 0.431 590 T N 2.855 117.331 114.554 -0.131 0.000 2.906 590 T HA 0.207 4.547 4.350 -0.016 0.000 0.295 590 T C 0.345 174.906 174.700 -0.231 0.000 1.061 590 T CA -0.272 61.741 62.100 -0.144 0.000 1.000 590 T CB 1.789 70.603 68.868 -0.091 0.000 1.103 590 T HN 0.544 nan 8.240 nan 0.000 0.486 591 Q N 1.077 120.746 119.800 -0.219 0.000 2.167 591 Q HA -0.035 4.295 4.340 -0.016 0.000 0.202 591 Q C 2.306 178.155 176.000 -0.251 0.000 0.970 591 Q CA 1.715 57.331 55.803 -0.310 0.000 0.855 591 Q CB -0.425 28.189 28.738 -0.205 0.000 0.911 591 Q HN 0.623 nan 8.270 nan 0.000 0.438 592 S N -0.636 115.017 115.700 -0.079 0.000 2.406 592 S HA -0.056 4.404 4.470 -0.016 0.000 0.228 592 S C 1.492 176.100 174.600 0.014 0.000 1.020 592 S CA 1.001 59.227 58.200 0.043 0.000 0.965 592 S CB -0.025 63.206 63.200 0.053 0.000 0.798 592 S HN 0.395 nan 8.310 nan 0.000 0.488 593 K N 0.392 120.753 120.400 -0.064 0.000 2.217 593 K HA 0.078 4.388 4.320 -0.016 0.000 0.202 593 K C 1.816 178.357 176.600 -0.099 0.000 1.051 593 K CA 0.845 57.105 56.287 -0.044 0.000 0.952 593 K CB -0.140 32.335 32.500 -0.041 0.000 0.736 593 K HN 0.401 nan 8.250 nan 0.000 0.453 594 I N -0.334 120.049 120.570 -0.313 0.000 2.133 594 I HA -0.251 3.909 4.170 -0.016 0.000 0.238 594 I C 1.920 177.910 176.117 -0.213 0.000 1.074 594 I CA 1.444 62.440 61.300 -0.507 0.000 1.342 594 I CB -0.199 37.227 38.000 -0.957 0.000 1.053 594 I HN 0.290 nan 8.210 nan 0.000 0.404 595 W N 0.978 122.224 121.300 -0.090 0.000 2.387 595 W HA -0.257 4.394 4.660 -0.016 0.000 0.272 595 W C 2.215 178.734 176.519 -0.000 0.000 1.224 595 W CA 0.565 57.893 57.345 -0.028 0.000 1.210 595 W CB -0.257 29.199 29.460 -0.006 0.000 1.125 595 W HN 0.253 nan 8.180 nan 0.000 0.572 596 D N -0.162 120.368 120.400 0.216 0.000 2.097 596 D HA -0.168 4.462 4.640 -0.016 0.000 0.197 596 D C 2.033 178.412 176.300 0.133 0.000 0.984 596 D CA 1.407 55.500 54.000 0.155 0.000 0.826 596 D CB -0.305 40.562 40.800 0.112 0.000 0.973 596 D HN -0.097 nan 8.370 nan 0.000 0.460 597 V N -0.116 119.862 119.914 0.107 0.000 2.237 597 V HA -0.224 3.887 4.120 -0.016 0.000 0.245 597 V C 2.692 178.808 176.094 0.037 0.000 1.046 597 V CA 1.449 63.797 62.300 0.080 0.000 1.007 597 V CB -0.472 31.397 31.823 0.078 0.000 0.638 597 V HN 0.139 nan 8.190 nan 0.000 0.445 598 V N -0.138 119.754 119.914 -0.037 0.000 2.277 598 V HA -0.330 3.781 4.120 -0.016 0.000 0.253 598 V C 2.630 178.848 176.094 0.206 0.000 1.067 598 V CA 2.425 64.773 62.300 0.081 0.000 1.047 598 V CB -0.657 31.343 31.823 0.295 0.000 0.649 598 V HN 0.594 nan 8.190 nan 0.000 0.447 599 E N 0.387 120.698 120.200 0.185 0.000 2.047 599 E HA -0.207 4.133 4.350 -0.016 0.000 0.191 599 E C 2.233 178.890 176.600 0.095 0.000 0.987 599 E CA 1.284 57.760 56.400 0.128 0.000 0.799 599 E CB -0.173 29.599 29.700 0.121 0.000 0.752 599 E HN 0.578 nan 8.360 nan 0.000 0.449 600 K N -0.223 120.242 120.400 0.109 0.000 2.520 600 K HA -0.063 4.247 4.320 -0.016 0.000 0.197 600 K C 1.067 177.737 176.600 0.116 0.000 1.043 600 K CA 0.708 57.052 56.287 0.095 0.000 0.944 600 K CB 0.064 32.625 32.500 0.102 0.000 0.770 600 K HN -0.005 nan 8.250 nan 0.000 0.480 601 A N 1.035 123.956 122.820 0.169 0.000 2.713 601 A HA 0.091 4.401 4.320 -0.016 0.000 0.296 601 A C -0.671 177.013 177.584 0.166 0.000 1.255 601 A CA -0.461 51.702 52.037 0.210 0.000 0.955 601 A CB 0.176 19.409 19.000 0.388 0.000 1.149 601 A HN 0.001 nan 8.150 nan 0.000 0.538 602 D N 0.474 120.927 120.400 0.088 0.000 2.345 602 D HA 0.246 4.876 4.640 -0.016 0.000 0.247 602 D C 1.641 177.951 176.300 0.016 0.000 1.108 602 D CA -0.209 53.812 54.000 0.036 0.000 0.894 602 D CB 0.914 41.684 40.800 -0.051 0.000 1.203 602 D HN 0.428 nan 8.370 nan 0.000 0.430 603 I N -0.390 120.188 120.570 0.013 0.000 3.059 603 I HA 0.233 4.393 4.170 -0.016 0.000 0.270 603 I C 1.098 177.213 176.117 -0.002 0.000 1.238 603 I CA -0.122 61.182 61.300 0.008 0.000 1.478 603 I CB -0.133 37.873 38.000 0.009 0.000 1.097 603 I HN 0.158 nan 8.210 nan 0.000 0.455 604 G N 0.698 109.481 108.800 -0.029 0.000 2.355 604 G HA2 0.345 4.295 3.960 -0.016 0.000 0.276 604 G HA3 0.345 4.295 3.960 -0.016 0.000 0.276 604 G C 0.038 174.883 174.900 -0.092 0.000 1.198 604 G CA -0.377 44.691 45.100 -0.055 0.000 0.876 604 G HN 0.490 nan 8.290 nan 0.000 0.478 605 c N 1.647 120.216 118.600 -0.052 0.000 3.125 605 c HA 0.448 5.008 4.570 -0.016 0.000 0.284 605 c C 0.772 174.848 174.090 -0.024 0.000 1.386 605 c CA -0.346 55.958 56.329 -0.041 0.000 1.763 605 c CB -1.369 41.142 42.510 0.002 0.000 2.377 605 c HN 0.686 nan 8.230 nan 0.000 0.620 606 T N 0.875 115.409 114.554 -0.034 0.000 2.982 606 T HA 0.227 4.567 4.350 -0.016 0.000 0.321 606 T C -2.313 172.433 174.700 0.077 0.000 1.229 606 T CA -0.348 61.782 62.100 0.050 0.000 1.044 606 T CB 1.998 70.939 68.868 0.121 0.000 1.184 606 T HN -0.270 nan 8.240 nan 0.000 0.477 607 P HA 0.056 nan 4.420 nan 0.000 0.223 607 P C 0.673 178.155 177.300 0.303 0.000 1.140 607 P CA 1.495 64.855 63.100 0.432 0.000 0.783 607 P CB -0.072 31.858 31.700 0.383 0.000 0.759 608 G N -3.614 105.318 108.800 0.220 0.000 2.369 608 G HA2 0.316 4.266 3.960 -0.016 0.000 0.307 608 G HA3 0.316 4.266 3.960 -0.016 0.000 0.307 608 G C -0.399 174.632 174.900 0.219 0.000 1.327 608 G CA -0.166 45.044 45.100 0.183 0.000 0.963 608 G HN 0.122 nan 8.290 nan 0.000 0.590 609 S N -2.335 113.469 115.700 0.173 0.000 3.251 609 S HA 0.398 4.858 4.470 -0.016 0.000 0.633 609 S C 0.854 175.504 174.600 0.084 0.000 2.788 609 S CA 2.088 60.401 58.200 0.189 0.000 3.086 609 S CB -1.043 62.349 63.200 0.320 0.000 0.327 609 S HN 3.160 nan 8.310 nan 0.000 1.718 610 G N -0.223 108.491 108.800 -0.143 0.000 2.361 610 G HA2 0.452 4.402 3.960 -0.016 0.000 0.299 610 G HA3 0.452 4.402 3.960 -0.016 0.000 0.299 610 G C -0.029 174.131 174.900 -1.233 0.000 1.544 610 G CA 0.429 45.079 45.100 -0.749 0.000 0.860 610 G HN 1.046 nan 8.290 nan 0.000 0.610 611 K N -0.886 118.615 120.400 -1.499 0.000 2.152 611 K HA -0.030 4.280 4.320 -0.016 0.000 0.206 611 K C 0.528 176.702 176.600 -0.711 0.000 1.048 611 K CA 2.067 57.818 56.287 -0.893 0.000 0.933 611 K CB -0.232 32.017 32.500 -0.420 0.000 0.721 611 K HN 0.611 nan 8.250 nan 0.000 0.447 612 D N -1.578 118.390 120.400 -0.719 0.000 2.812 612 D HA 0.012 4.643 4.640 -0.016 0.000 0.318 612 D C 0.821 176.783 176.300 -0.563 0.000 1.234 612 D CA -0.707 52.825 54.000 -0.780 0.000 0.989 612 D CB -0.147 40.377 40.800 -0.460 0.000 1.442 612 D HN 0.043 nan 8.370 nan 0.000 0.537 613 Y N -1.195 118.903 120.300 -0.338 0.000 2.263 613 Y HA 0.256 4.798 4.550 -0.015 0.000 0.292 613 Y C 2.040 177.958 175.900 0.030 0.000 1.130 613 Y CA 1.188 59.243 58.100 -0.075 0.000 1.179 613 Y CB -0.730 37.706 38.460 -0.041 0.000 0.998 613 Y HN 0.360 nan 8.280 nan 0.000 0.532 614 A N 1.045 123.328 122.820 -0.895 0.000 2.119 614 A HA 0.116 4.426 4.320 -0.016 0.000 0.217 614 A C 2.286 179.743 177.584 -0.213 0.000 1.153 614 A CA 1.171 52.880 52.037 -0.547 0.000 0.692 614 A CB -1.339 17.253 19.000 -0.680 0.000 0.799 614 A HN 0.648 nan 8.150 nan 0.000 0.458 615 G N -0.712 107.934 108.800 -0.256 0.000 2.437 615 G HA2 0.045 3.995 3.960 -0.016 0.000 0.212 615 G HA3 0.045 3.995 3.960 -0.016 0.000 0.212 615 G C 1.443 176.269 174.900 -0.123 0.000 1.174 615 G CA 0.910 45.888 45.100 -0.203 0.000 0.811 615 G HN 0.222 nan 8.290 nan 0.000 0.537 616 V N 0.862 120.695 119.914 -0.135 0.000 2.252 616 V HA -0.209 3.901 4.120 -0.016 0.000 0.249 616 V C 2.494 178.544 176.094 -0.073 0.000 1.056 616 V CA 1.863 64.102 62.300 -0.101 0.000 1.022 616 V CB -0.695 31.054 31.823 -0.123 0.000 0.641 616 V HN 0.273 nan 8.190 nan 0.000 0.445 617 F N 0.882 120.828 119.950 -0.007 0.000 2.010 617 F HA -0.200 4.317 4.527 -0.017 0.000 0.296 617 F C 2.801 178.615 175.800 0.024 0.000 1.146 617 F CA 2.214 60.232 58.000 0.030 0.000 1.181 617 F CB -1.093 37.926 39.000 0.031 0.000 0.965 617 F HN 0.011 nan 8.300 nan 0.000 0.480 618 S N -0.399 115.424 115.700 0.204 0.000 2.382 618 S HA -0.197 4.264 4.470 -0.016 0.000 0.228 618 S C 1.600 176.244 174.600 0.073 0.000 1.027 618 S CA 1.487 59.752 58.200 0.108 0.000 0.991 618 S CB -0.449 62.781 63.200 0.049 0.000 0.823 618 S HN 0.328 nan 8.310 nan 0.000 0.469 619 D N 1.555 121.986 120.400 0.052 0.000 2.144 619 D HA 0.018 4.648 4.640 -0.016 0.000 0.199 619 D C 1.944 178.271 176.300 0.044 0.000 0.984 619 D CA 1.173 55.201 54.000 0.046 0.000 0.834 619 D CB -0.297 40.533 40.800 0.050 0.000 0.955 619 D HN 0.416 nan 8.370 nan 0.000 0.465 620 A N -0.670 122.184 122.820 0.057 0.000 2.123 620 A HA 0.412 4.722 4.320 -0.016 0.000 0.214 620 A C 1.560 179.183 177.584 0.065 0.000 1.152 620 A CA 1.149 53.216 52.037 0.050 0.000 0.728 620 A CB 0.050 19.084 19.000 0.058 0.000 0.814 620 A HN 0.266 nan 8.150 nan 0.000 0.464 621 G N -1.259 107.596 108.800 0.092 0.000 2.327 621 G HA2 -0.065 3.885 3.960 -0.016 0.000 0.159 621 G HA3 -0.065 3.885 3.960 -0.016 0.000 0.159 621 G C -0.379 174.596 174.900 0.126 0.000 1.056 621 G CA 0.042 45.193 45.100 0.085 0.000 0.751 621 G HN 0.425 nan 8.290 nan 0.000 0.488 622 L N -0.162 121.173 121.223 0.187 0.000 2.359 622 L HA 0.885 5.216 4.340 -0.016 0.000 0.256 622 L C 0.239 177.218 176.870 0.182 0.000 1.026 622 L CA -0.711 54.270 54.840 0.234 0.000 0.828 622 L CB 2.618 44.927 42.059 0.418 0.000 1.406 622 L HN 0.368 nan 8.230 nan 0.000 0.413 623 T N -1.368 113.249 114.554 0.106 0.000 2.840 623 T HA 0.557 4.897 4.350 -0.016 0.000 0.287 623 T C -1.050 173.584 174.700 -0.110 0.000 0.991 623 T CA -0.398 61.703 62.100 0.002 0.000 0.964 623 T CB 1.283 70.161 68.868 0.017 0.000 0.954 623 T HN 0.327 nan 8.240 nan 0.000 0.438 624 F N 2.996 122.670 119.950 -0.461 0.000 2.445 624 F HA 0.601 5.119 4.527 -0.016 0.000 0.348 624 F C -0.664 174.970 175.800 -0.275 0.000 1.125 624 F CA -0.211 57.445 58.000 -0.573 0.000 0.983 624 F CB 1.531 39.714 39.000 -1.362 0.000 1.198 624 F HN 0.728 nan 8.300 nan 0.000 0.436 625 T N 3.892 118.080 114.554 -0.611 0.000 2.848 625 T HA 0.563 4.903 4.350 -0.016 0.000 0.285 625 T C -0.562 173.815 174.700 -0.539 0.000 0.995 625 T CA -0.808 61.055 62.100 -0.396 0.000 0.970 625 T CB 1.548 70.306 68.868 -0.182 0.000 0.976 625 T HN 0.590 nan 8.240 nan 0.000 0.441 626 S N 0.531 116.026 115.700 -0.343 0.000 2.715 626 S HA 0.594 5.054 4.470 -0.016 0.000 0.307 626 S C 1.037 175.570 174.600 -0.111 0.000 1.119 626 S CA -0.325 57.722 58.200 -0.255 0.000 0.937 626 S CB 1.524 64.643 63.200 -0.134 0.000 1.150 626 S HN 0.701 nan 8.310 nan 0.000 0.521 627 S N -0.324 115.327 115.700 -0.083 0.000 2.631 627 S HA 0.188 4.648 4.470 -0.016 0.000 0.217 627 S C 0.817 175.407 174.600 -0.016 0.000 0.958 627 S CA 0.071 58.258 58.200 -0.022 0.000 0.920 627 S CB -0.479 62.753 63.200 0.053 0.000 0.776 627 S HN 0.529 nan 8.310 nan 0.000 0.517 628 S N 0.172 115.859 115.700 -0.022 0.000 2.523 628 S HA 0.511 4.971 4.470 -0.016 0.000 0.217 628 S C 1.395 175.997 174.600 0.003 0.000 0.996 628 S CA 0.269 58.462 58.200 -0.011 0.000 0.921 628 S CB 0.513 63.703 63.200 -0.017 0.000 0.829 628 S HN 0.984 nan 8.310 nan 0.000 0.495 629 G N 1.276 110.081 108.800 0.008 0.000 2.179 629 G HA2 -0.194 3.756 3.960 -0.016 0.000 0.220 629 G HA3 -0.194 3.756 3.960 -0.016 0.000 0.220 629 G C -0.114 174.823 174.900 0.061 0.000 0.990 629 G CA -0.530 44.583 45.100 0.021 0.000 0.646 629 G HN 0.407 nan 8.290 nan 0.000 0.517 630 Q N 1.637 121.497 119.800 0.100 0.000 2.513 630 Q HA 0.456 4.786 4.340 -0.016 0.000 0.227 630 Q C 0.726 176.910 176.000 0.306 0.000 1.257 630 Q CA 0.454 56.403 55.803 0.243 0.000 0.915 630 Q CB 0.119 28.992 28.738 0.224 0.000 1.507 630 Q HN 0.857 nan 8.270 nan 0.000 0.543 631 Q N -0.589 119.323 119.800 0.186 0.000 2.306 631 Q HA 0.710 5.040 4.340 -0.016 0.000 0.269 631 Q C -0.165 175.857 176.000 0.037 0.000 1.053 631 Q CA -0.991 54.870 55.803 0.096 0.000 0.879 631 Q CB 1.043 29.784 28.738 0.005 0.000 1.344 631 Q HN 0.364 nan 8.270 nan 0.000 0.464 632 T N -2.036 112.510 114.554 -0.014 0.000 2.814 632 T HA 0.664 5.004 4.350 -0.016 0.000 0.284 632 T C 0.230 174.892 174.700 -0.064 0.000 0.998 632 T CA -0.470 61.591 62.100 -0.065 0.000 0.935 632 T CB 0.708 69.553 68.868 -0.037 0.000 1.167 632 T HN 0.768 nan 8.240 nan 0.000 0.545 633 A N 0.807 123.589 122.820 -0.065 0.000 2.363 633 A HA 0.368 4.678 4.320 -0.016 0.000 0.270 633 A C 0.448 178.014 177.584 -0.029 0.000 1.121 633 A CA -0.702 51.304 52.037 -0.052 0.000 0.800 633 A CB 0.018 18.986 19.000 -0.053 0.000 1.052 633 A HN 0.861 nan 8.150 nan 0.000 0.493 634 Q N 2.258 122.037 119.800 -0.036 0.000 2.263 634 Q HA 0.075 4.405 4.340 -0.016 0.000 0.270 634 Q C 0.060 176.064 176.000 0.007 0.000 1.104 634 Q CA -0.042 55.743 55.803 -0.030 0.000 0.909 634 Q CB 0.216 28.908 28.738 -0.077 0.000 1.214 634 Q HN 0.659 nan 8.270 nan 0.000 0.400 635 R N 3.519 124.047 120.500 0.046 0.000 2.296 635 R HA 0.231 4.562 4.340 -0.016 0.000 0.323 635 R C 0.050 176.434 176.300 0.140 0.000 1.067 635 R CA 0.564 56.707 56.100 0.071 0.000 0.946 635 R CB 0.499 30.837 30.300 0.064 0.000 0.991 635 R HN 0.750 nan 8.270 nan 0.000 0.448 636 A N 3.964 126.856 122.820 0.120 0.000 2.169 636 A HA 0.119 4.429 4.320 -0.016 0.000 0.210 636 A C 0.044 177.713 177.584 0.142 0.000 1.168 636 A CA 0.198 52.350 52.037 0.191 0.000 0.813 636 A CB 0.294 19.364 19.000 0.117 0.000 0.861 636 A HN 0.648 nan 8.150 nan 0.000 0.481 637 E N -0.603 119.644 120.200 0.078 0.000 2.166 637 E HA 0.572 4.913 4.350 -0.016 0.000 0.275 637 E C 0.579 177.192 176.600 0.022 0.000 0.941 637 E CA -0.319 56.108 56.400 0.045 0.000 0.784 637 E CB 1.373 31.095 29.700 0.037 0.000 1.115 637 E HN 0.235 nan 8.360 nan 0.000 0.399 638 L N 1.585 122.810 121.223 0.002 0.000 2.109 638 L HA -0.044 4.286 4.340 -0.016 0.000 0.207 638 L C 0.796 177.671 176.870 0.008 0.000 1.086 638 L CA 0.815 55.649 54.840 -0.010 0.000 0.760 638 L CB -0.103 41.942 42.059 -0.023 0.000 0.910 638 L HN 0.441 nan 8.230 nan 0.000 0.437 639 Q N -1.016 118.793 119.800 0.014 0.000 2.312 639 Q HA 0.196 4.526 4.340 -0.016 0.000 0.236 639 Q C -0.431 175.582 176.000 0.022 0.000 0.965 639 Q CA -0.144 55.671 55.803 0.021 0.000 0.894 639 Q CB 1.159 29.909 28.738 0.020 0.000 1.225 639 Q HN 0.158 nan 8.270 nan 0.000 0.478 640 c N 3.042 121.656 118.600 0.023 0.000 2.604 640 c HA 0.350 4.910 4.570 -0.016 0.000 0.396 640 c C -1.780 172.326 174.090 0.027 0.000 1.282 640 c CA -1.039 55.303 56.329 0.022 0.000 2.292 640 c CB -0.447 42.072 42.510 0.016 0.000 2.633 640 c HN 0.698 nan 8.230 nan 0.000 0.620 641 P HA 0.395 nan 4.420 nan 0.000 0.269 641 P C -0.446 176.874 177.300 0.034 0.000 1.209 641 P CA 0.453 63.573 63.100 0.032 0.000 0.776 641 P CB 0.483 32.205 31.700 0.037 0.000 0.876 642 Q N 0.000 119.820 119.800 0.033 0.000 2.315 642 Q HA 0.000 4.330 4.340 -0.016 0.000 0.214 642 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 642 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481