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 2xwb_1_C DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc 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 0.000 174.554 174.600 -0.077 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 1 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 2 P HA 0.240 nan 4.420 nan 0.000 0.265 2 P C -0.634 176.434 177.300 -0.388 0.000 1.193 2 P CA -0.051 62.881 63.100 -0.280 0.000 0.765 2 P CB 0.305 31.848 31.700 -0.261 0.000 0.823 3 M N 3.892 123.198 119.600 -0.490 0.000 2.253 3 M HA 0.358 4.838 4.480 -0.000 0.000 0.314 3 M C -1.725 174.235 176.300 -0.567 0.000 1.019 3 M CA -0.724 54.361 55.300 -0.358 0.000 0.932 3 M CB 1.000 33.540 32.600 -0.100 0.000 1.606 3 M HN 0.259 nan 8.290 nan 0.000 0.430 4 Y N 2.643 122.774 120.300 -0.281 0.000 2.328 4 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 4 Y C 0.379 176.021 175.900 -0.429 0.000 0.966 4 Y CA -0.534 57.197 58.100 -0.614 0.000 1.136 4 Y CB 1.601 39.222 38.460 -1.398 0.000 1.170 4 Y HN 0.696 nan 8.280 nan 0.000 0.470 5 S N 2.801 118.410 115.700 -0.152 0.000 2.704 5 S HA 0.863 5.333 4.470 -0.000 0.000 0.305 5 S C -1.237 173.310 174.600 -0.088 0.000 1.107 5 S CA -0.690 57.377 58.200 -0.221 0.000 0.993 5 S CB 2.342 65.423 63.200 -0.197 0.000 1.110 5 S HN 0.539 nan 8.310 nan 0.000 0.534 6 I N -0.022 120.392 120.570 -0.260 0.000 2.722 6 I HA 0.602 4.772 4.170 -0.000 0.000 0.292 6 I C -2.009 174.036 176.117 -0.120 0.000 1.267 6 I CA -1.101 60.166 61.300 -0.054 0.000 1.036 6 I CB 1.731 39.749 38.000 0.031 0.000 1.281 6 I HN 0.867 nan 8.210 nan 0.000 0.423 7 I N 6.548 127.146 120.570 0.047 0.000 2.478 7 I HA 0.576 4.746 4.170 -0.000 0.000 0.287 7 I C -0.763 175.435 176.117 0.136 0.000 1.042 7 I CA -0.380 60.983 61.300 0.106 0.000 1.067 7 I CB 2.137 40.283 38.000 0.244 0.000 1.233 7 I HN 0.690 nan 8.210 nan 0.000 0.431 8 T N 2.905 117.532 114.554 0.122 0.000 2.900 8 T HA 0.582 4.932 4.350 -0.000 0.000 0.303 8 T C -2.998 171.776 174.700 0.124 0.000 1.142 8 T CA -2.420 59.761 62.100 0.134 0.000 1.007 8 T CB 2.165 71.125 68.868 0.153 0.000 1.156 8 T HN 0.065 nan 8.240 nan 0.000 0.490 9 P HA 0.169 nan 4.420 nan 0.000 0.267 9 P C 0.620 177.969 177.300 0.082 0.000 1.201 9 P CA -0.167 62.988 63.100 0.092 0.000 0.775 9 P CB 0.417 32.149 31.700 0.053 0.000 0.854 10 N N 1.124 119.873 118.700 0.081 0.000 2.137 10 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 10 N C 0.527 176.069 175.510 0.054 0.000 1.017 10 N CA 1.403 54.496 53.050 0.071 0.000 0.859 10 N CB -0.352 38.177 38.487 0.069 0.000 1.002 10 N HN 0.440 nan 8.380 nan 0.000 0.428 11 I N 1.067 121.654 120.570 0.028 0.000 2.447 11 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 11 I C -0.457 175.640 176.117 -0.034 0.000 1.023 11 I CA -0.592 60.704 61.300 -0.007 0.000 1.083 11 I CB 2.082 40.062 38.000 -0.034 0.000 1.245 11 I HN -0.198 nan 8.210 nan 0.000 0.434 12 L N 6.118 127.324 121.223 -0.028 0.000 2.395 12 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 12 L C 0.203 176.995 176.870 -0.130 0.000 1.133 12 L CA -0.501 54.311 54.840 -0.048 0.000 0.812 12 L CB 0.719 42.801 42.059 0.040 0.000 1.125 12 L HN 0.548 nan 8.230 nan 0.000 0.452 13 R N 2.612 123.003 120.500 -0.181 0.000 2.532 13 R HA 0.590 4.930 4.340 -0.000 0.000 0.295 13 R C -0.928 175.251 176.300 -0.202 0.000 0.968 13 R CA -0.840 55.112 56.100 -0.246 0.000 0.916 13 R CB 1.552 31.625 30.300 -0.378 0.000 1.124 13 R HN 0.453 nan 8.270 nan 0.000 0.463 14 L N 2.195 123.298 121.223 -0.200 0.000 2.395 14 L HA 0.160 4.500 4.340 -0.000 0.000 0.269 14 L C 0.428 177.219 176.870 -0.131 0.000 1.133 14 L CA 0.006 54.731 54.840 -0.193 0.000 0.812 14 L CB 0.484 42.406 42.059 -0.230 0.000 1.125 14 L HN 0.742 nan 8.230 nan 0.000 0.452 15 E N 0.373 120.508 120.200 -0.108 0.000 2.389 15 E HA -0.204 4.145 4.350 -0.000 0.000 0.243 15 E C -0.534 176.026 176.600 -0.067 0.000 1.154 15 E CA 0.574 56.929 56.400 -0.074 0.000 0.723 15 E CB -1.205 28.450 29.700 -0.075 0.000 1.261 15 E HN 0.729 nan 8.360 nan 0.000 0.390 16 S N -1.249 114.399 115.700 -0.086 0.000 2.643 16 S HA 0.481 4.951 4.470 -0.000 0.000 0.270 16 S C -0.913 173.601 174.600 -0.142 0.000 1.166 16 S CA -1.223 56.924 58.200 -0.088 0.000 0.815 16 S CB 1.836 64.988 63.200 -0.079 0.000 1.139 16 S HN 0.135 nan 8.310 nan 0.000 0.472 17 E N 1.152 121.265 120.200 -0.145 0.000 2.063 17 E HA 0.295 4.645 4.350 -0.000 0.000 0.265 17 E C -0.880 175.549 176.600 -0.286 0.000 0.919 17 E CA -0.560 55.712 56.400 -0.214 0.000 0.756 17 E CB 0.881 30.506 29.700 -0.125 0.000 1.120 17 E HN 0.400 nan 8.360 nan 0.000 0.414 18 E N 2.208 122.093 120.200 -0.526 0.000 2.259 18 E HA 0.150 4.500 4.350 -0.000 0.000 0.281 18 E C -0.148 176.189 176.600 -0.440 0.000 1.027 18 E CA -0.162 55.946 56.400 -0.488 0.000 0.838 18 E CB 1.408 30.764 29.700 -0.573 0.000 1.066 18 E HN 0.280 nan 8.360 nan 0.000 0.401 19 T N 2.693 117.146 114.554 -0.169 0.000 2.899 19 T HA 0.377 4.727 4.350 -0.000 0.000 0.295 19 T C 0.422 175.157 174.700 0.058 0.000 1.033 19 T CA -0.160 61.914 62.100 -0.044 0.000 1.084 19 T CB 0.538 69.407 68.868 0.002 0.000 0.979 19 T HN 0.335 nan 8.240 nan 0.000 0.532 20 M N 2.791 122.465 119.600 0.125 0.000 2.183 20 M HA 0.409 4.889 4.480 -0.000 0.000 0.277 20 M C -1.721 174.666 176.300 0.144 0.000 0.995 20 M CA -0.655 54.754 55.300 0.181 0.000 0.969 20 M CB 1.205 33.973 32.600 0.281 0.000 1.659 20 M HN 0.316 nan 8.290 nan 0.000 0.462 21 V N 6.260 126.265 119.914 0.152 0.000 2.406 21 V HA 0.413 4.533 4.120 -0.000 0.000 0.272 21 V C -0.226 175.977 176.094 0.183 0.000 1.043 21 V CA -0.366 62.031 62.300 0.160 0.000 0.915 21 V CB 1.206 33.142 31.823 0.189 0.000 0.988 21 V HN 0.764 nan 8.190 nan 0.000 0.466 22 L N 5.558 126.891 121.223 0.184 0.000 2.317 22 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 22 L C 0.033 177.046 176.870 0.239 0.000 1.024 22 L CA -0.275 54.716 54.840 0.252 0.000 0.810 22 L CB 1.782 43.985 42.059 0.240 0.000 1.240 22 L HN 0.654 nan 8.230 nan 0.000 0.427 23 E N 1.485 121.831 120.200 0.243 0.000 2.456 23 E HA 0.845 5.195 4.350 -0.000 0.000 0.276 23 E C -1.455 175.094 176.600 -0.086 0.000 0.981 23 E CA -1.099 55.353 56.400 0.086 0.000 0.814 23 E CB 2.669 32.473 29.700 0.173 0.000 1.382 23 E HN 0.572 nan 8.360 nan 0.000 0.459 24 A N 1.720 124.286 122.820 -0.425 0.000 2.485 24 A HA 0.439 4.759 4.320 -0.000 0.000 0.285 24 A C -1.726 175.380 177.584 -0.797 0.000 1.045 24 A CA -0.692 51.020 52.037 -0.541 0.000 0.792 24 A CB 0.761 19.634 19.000 -0.212 0.000 1.307 24 A HN 0.602 nan 8.150 nan 0.000 0.406 25 H N 2.720 121.605 119.070 -0.308 0.000 2.860 25 H HA 0.351 4.907 4.556 -0.000 0.000 0.312 25 H C -0.840 174.334 175.328 -0.256 0.000 0.995 25 H CA -0.529 55.406 56.048 -0.188 0.000 1.311 25 H CB 1.795 31.540 29.762 -0.028 0.000 1.478 25 H HN 0.675 nan 8.280 nan 0.000 0.508 26 D N 1.752 122.059 120.400 -0.155 0.000 2.856 26 D HA 0.258 4.898 4.640 -0.000 0.000 0.283 26 D C 1.221 177.311 176.300 -0.350 0.000 1.051 26 D CA 1.049 54.934 54.000 -0.192 0.000 0.965 26 D CB 0.318 41.081 40.800 -0.062 0.000 1.201 26 D HN 0.776 nan 8.370 nan 0.000 0.474 27 A N -0.039 122.652 122.820 -0.215 0.000 6.890 27 A HA -0.197 4.123 4.320 -0.000 0.000 0.242 27 A C -0.310 177.224 177.584 -0.084 0.000 2.184 27 A CA 0.702 52.656 52.037 -0.138 0.000 0.705 27 A CB -0.898 18.028 19.000 -0.124 0.000 0.983 27 A HN 0.203 nan 8.150 nan 0.000 0.384 28 Q N -1.188 118.635 119.800 0.038 0.000 2.511 28 Q HA 0.586 4.926 4.340 -0.000 0.000 0.289 28 Q C 0.388 176.481 176.000 0.156 0.000 1.021 28 Q CA -0.220 55.654 55.803 0.119 0.000 0.785 28 Q CB 1.993 30.775 28.738 0.074 0.000 1.472 28 Q HN 2.896 nan 8.270 nan 0.000 0.411 29 G N 1.226 110.113 108.800 0.145 0.000 2.601 29 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 29 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 29 G C -1.031 173.937 174.900 0.113 0.000 1.294 29 G CA -0.167 44.991 45.100 0.098 0.000 0.912 29 G HN 0.596 nan 8.290 nan 0.000 0.574 30 D N -0.607 119.839 120.400 0.077 0.000 2.312 30 D HA 0.539 5.179 4.640 -0.000 0.000 0.248 30 D C 0.126 176.493 176.300 0.111 0.000 1.086 30 D CA 0.497 54.540 54.000 0.072 0.000 0.948 30 D CB 1.862 42.685 40.800 0.037 0.000 1.162 30 D HN 1.072 nan 8.370 nan 0.000 0.446 31 V N 2.013 122.000 119.914 0.123 0.000 2.637 31 V HA 0.286 4.406 4.120 -0.000 0.000 0.274 31 V C -2.808 173.344 176.094 0.098 0.000 1.004 31 V CA -1.735 60.650 62.300 0.141 0.000 0.894 31 V CB 1.767 33.740 31.823 0.250 0.000 1.046 31 V HN 0.316 nan 8.190 nan 0.000 0.467 32 P HA 0.272 nan 4.420 nan 0.000 0.267 32 P C -1.012 176.254 177.300 -0.056 0.000 1.200 32 P CA 0.247 63.343 63.100 -0.006 0.000 0.772 32 P CB 0.913 32.603 31.700 -0.016 0.000 0.855 33 V N 2.171 122.021 119.914 -0.106 0.000 2.623 33 V HA 0.459 4.579 4.120 -0.000 0.000 0.304 33 V C -0.140 175.830 176.094 -0.207 0.000 1.054 33 V CA -0.559 61.595 62.300 -0.244 0.000 0.882 33 V CB 2.143 33.779 31.823 -0.311 0.000 1.002 33 V HN 0.651 nan 8.190 nan 0.000 0.424 34 T N 1.126 115.538 114.554 -0.238 0.000 2.977 34 T HA 0.599 4.949 4.350 -0.000 0.000 0.346 34 T C -0.573 174.006 174.700 -0.201 0.000 1.140 34 T CA -0.573 61.423 62.100 -0.174 0.000 1.040 34 T CB 0.903 69.697 68.868 -0.124 0.000 1.046 34 T HN 0.270 nan 8.240 nan 0.000 0.494 35 V N 4.274 124.071 119.914 -0.196 0.000 2.488 35 V HA 0.436 4.556 4.120 -0.000 0.000 0.277 35 V C 0.469 176.433 176.094 -0.217 0.000 1.046 35 V CA -0.105 62.066 62.300 -0.214 0.000 0.986 35 V CB 0.900 32.602 31.823 -0.203 0.000 0.989 35 V HN 1.031 nan 8.190 nan 0.000 0.475 36 T N 4.584 118.998 114.554 -0.233 0.000 2.879 36 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 36 T C -0.527 173.928 174.700 -0.409 0.000 0.993 36 T CA -0.415 61.504 62.100 -0.301 0.000 0.975 36 T CB 1.699 70.427 68.868 -0.233 0.000 0.981 36 T HN 0.306 nan 8.240 nan 0.000 0.439 37 V N 4.481 124.105 119.914 -0.484 0.000 2.384 37 V HA 0.463 4.583 4.120 -0.000 0.000 0.287 37 V C -0.427 175.427 176.094 -0.400 0.000 1.020 37 V CA -0.742 61.321 62.300 -0.395 0.000 0.850 37 V CB 0.871 32.457 31.823 -0.394 0.000 0.987 37 V HN 0.891 nan 8.190 nan 0.000 0.436 38 H N 1.659 120.733 119.070 0.006 0.000 2.810 38 H HA 0.605 5.161 4.556 -0.000 0.000 0.316 38 H C -0.217 175.186 175.328 0.125 0.000 1.426 38 H CA -0.823 55.258 56.048 0.055 0.000 1.413 38 H CB 0.838 30.627 29.762 0.045 0.000 1.874 38 H HN 0.737 nan 8.280 nan 0.000 0.737 39 D N -0.496 120.072 120.400 0.280 0.000 2.539 39 D HA 0.284 4.924 4.640 -0.000 0.000 0.280 39 D C -0.891 175.607 176.300 0.329 0.000 1.208 39 D CA -0.528 53.629 54.000 0.262 0.000 1.088 39 D CB 0.906 41.767 40.800 0.101 0.000 1.149 39 D HN 0.369 nan 8.370 nan 0.000 0.596 40 F N -1.015 119.006 119.950 0.117 0.000 2.654 40 F HA 0.405 4.932 4.527 -0.000 0.000 0.314 40 F C -2.696 173.163 175.800 0.097 0.000 1.116 40 F CA -1.321 56.745 58.000 0.109 0.000 1.017 40 F CB 1.534 40.634 39.000 0.167 0.000 1.285 40 F HN 0.148 nan 8.300 nan 0.000 0.448 41 P HA 0.675 nan 4.420 nan 0.000 0.277 41 P C -0.317 176.726 177.300 -0.428 0.000 1.276 41 P CA 0.350 62.807 63.100 -1.071 0.000 0.788 41 P CB 0.631 31.823 31.700 -0.846 0.000 1.114 42 G N -0.238 108.340 108.800 -0.369 0.000 2.730 42 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 42 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 42 G C -0.356 174.479 174.900 -0.108 0.000 1.343 42 G CA -0.386 44.603 45.100 -0.185 0.000 0.826 42 G HN 0.688 nan 8.290 nan 0.000 0.582 43 K N 0.201 120.535 120.400 -0.110 0.000 2.811 43 K HA 0.173 4.493 4.320 -0.000 0.000 0.217 43 K C 0.955 177.524 176.600 -0.051 0.000 1.115 43 K CA -0.244 55.950 56.287 -0.154 0.000 1.179 43 K CB -0.266 32.093 32.500 -0.236 0.000 0.994 43 K HN 0.498 nan 8.250 nan 0.000 0.464 44 K N 2.704 123.105 120.400 0.002 0.000 2.250 44 K HA 0.009 4.329 4.320 -0.000 0.000 0.277 44 K C -0.126 176.543 176.600 0.115 0.000 1.091 44 K CA -0.151 56.154 56.287 0.031 0.000 1.046 44 K CB -0.148 32.347 32.500 -0.009 0.000 0.982 44 K HN 0.362 nan 8.250 nan 0.000 0.429 45 L N 1.898 123.207 121.223 0.143 0.000 2.375 45 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 45 L C -0.682 176.232 176.870 0.074 0.000 1.058 45 L CA -1.063 53.885 54.840 0.180 0.000 0.803 45 L CB 1.620 43.834 42.059 0.259 0.000 1.212 45 L HN 0.251 nan 8.230 nan 0.000 0.451 46 V N 3.057 122.996 119.914 0.042 0.000 2.789 46 V HA 0.369 4.489 4.120 -0.000 0.000 0.311 46 V C 0.349 176.443 176.094 0.000 0.000 1.073 46 V CA -0.561 61.740 62.300 0.002 0.000 0.921 46 V CB 2.201 33.998 31.823 -0.042 0.000 1.009 46 V HN 0.962 nan 8.190 nan 0.000 0.426 47 L N 3.120 124.330 121.223 -0.022 0.000 2.121 47 L HA 0.385 4.725 4.340 -0.000 0.000 0.200 47 L C 0.461 177.336 176.870 0.009 0.000 1.077 47 L CA 0.674 55.535 54.840 0.034 0.000 0.766 47 L CB 0.070 42.178 42.059 0.082 0.000 0.931 47 L HN 0.654 nan 8.230 nan 0.000 0.452 48 S N -0.947 114.718 115.700 -0.059 0.000 2.603 48 S HA 0.359 4.829 4.470 -0.000 0.000 0.274 48 S C -0.928 173.593 174.600 -0.131 0.000 1.168 48 S CA -0.488 57.687 58.200 -0.043 0.000 0.963 48 S CB 2.270 65.510 63.200 0.066 0.000 1.078 48 S HN 0.112 nan 8.310 nan 0.000 0.477 49 S N 2.402 118.050 115.700 -0.087 0.000 2.502 49 S HA 0.703 5.173 4.470 -0.000 0.000 0.304 49 S C -1.286 173.277 174.600 -0.062 0.000 1.097 49 S CA -0.523 57.613 58.200 -0.108 0.000 1.045 49 S CB 0.650 63.792 63.200 -0.096 0.000 1.019 49 S HN 0.601 nan 8.310 nan 0.000 0.481 50 E N 2.608 122.764 120.200 -0.073 0.000 2.392 50 E HA 0.564 4.914 4.350 -0.000 0.000 0.269 50 E C -1.087 175.478 176.600 -0.058 0.000 0.924 50 E CA -0.802 55.575 56.400 -0.038 0.000 0.784 50 E CB 2.016 31.718 29.700 0.004 0.000 1.292 50 E HN 0.607 nan 8.360 nan 0.000 0.447 51 K N 0.039 120.415 120.400 -0.040 0.000 2.482 51 K HA 0.740 5.060 4.320 -0.000 0.000 0.257 51 K C -0.725 175.855 176.600 -0.035 0.000 0.969 51 K CA -0.715 55.542 56.287 -0.050 0.000 0.842 51 K CB 2.492 34.967 32.500 -0.043 0.000 1.359 51 K HN 0.447 nan 8.250 nan 0.000 0.441 52 T N -0.165 114.364 114.554 -0.041 0.000 2.831 52 T HA 0.356 4.706 4.350 -0.000 0.000 0.333 52 T C -2.053 172.637 174.700 -0.017 0.000 1.684 52 T CA -0.601 61.487 62.100 -0.021 0.000 1.049 52 T CB 1.328 70.191 68.868 -0.008 0.000 1.518 52 T HN 0.191 nan 8.240 nan 0.000 0.491 53 V N 3.881 123.795 119.914 0.000 0.000 2.531 53 V HA 0.512 4.632 4.120 -0.000 0.000 0.301 53 V C -0.193 175.915 176.094 0.024 0.000 1.034 53 V CA -0.863 61.445 62.300 0.014 0.000 0.865 53 V CB 1.698 33.525 31.823 0.007 0.000 0.995 53 V HN 0.780 nan 8.190 nan 0.000 0.424 54 L N 4.469 125.728 121.223 0.061 0.000 2.342 54 L HA 0.367 4.707 4.340 -0.000 0.000 0.285 54 L C 0.403 177.242 176.870 -0.052 0.000 1.095 54 L CA 0.211 55.081 54.840 0.050 0.000 0.843 54 L CB 0.537 42.708 42.059 0.188 0.000 1.201 54 L HN 0.622 nan 8.230 nan 0.000 0.445 55 T N 4.290 118.767 114.554 -0.129 0.000 2.837 55 T HA 0.213 4.563 4.350 -0.000 0.000 0.285 55 T C -1.638 172.842 174.700 -0.366 0.000 0.984 55 T CA -1.227 60.764 62.100 -0.182 0.000 1.049 55 T CB 1.809 70.618 68.868 -0.098 0.000 0.947 55 T HN 0.305 nan 8.240 nan 0.000 0.472 56 P HA -0.065 nan 4.420 nan 0.000 0.222 56 P C 1.131 178.303 177.300 -0.213 0.000 1.142 56 P CA 0.444 63.290 63.100 -0.424 0.000 0.788 56 P CB 0.051 31.663 31.700 -0.148 0.000 0.767 57 A N -0.643 122.085 122.820 -0.153 0.000 2.119 57 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 57 A C 1.803 179.333 177.584 -0.090 0.000 1.153 57 A CA 1.858 53.840 52.037 -0.091 0.000 0.692 57 A CB -1.301 17.661 19.000 -0.063 0.000 0.799 57 A HN 0.332 nan 8.150 nan 0.000 0.458 58 T N -4.531 109.948 114.554 -0.125 0.000 3.174 58 T HA 0.218 4.568 4.350 -0.000 0.000 0.269 58 T C 0.369 175.002 174.700 -0.113 0.000 1.017 58 T CA 0.338 62.381 62.100 -0.095 0.000 0.899 58 T CB -0.831 67.993 68.868 -0.072 0.000 1.077 58 T HN 0.590 nan 8.240 nan 0.000 0.552 59 N N 2.254 120.866 118.700 -0.145 0.000 2.714 59 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 59 N C -0.776 174.710 175.510 -0.040 0.000 1.117 59 N CA 0.664 53.645 53.050 -0.116 0.000 0.719 59 N CB -1.270 37.119 38.487 -0.164 0.000 1.081 59 N HN 0.743 nan 8.380 nan 0.000 0.557 60 H N -2.396 116.620 119.070 -0.091 0.000 2.819 60 H HA -0.152 4.404 4.556 -0.000 0.000 0.323 60 H C -0.458 174.838 175.328 -0.055 0.000 1.243 60 H CA 1.498 57.504 56.048 -0.070 0.000 1.163 60 H CB -1.490 28.202 29.762 -0.117 0.000 1.493 60 H HN 0.425 nan 8.280 nan 0.000 0.434 61 M N 0.307 119.925 119.600 0.030 0.000 2.393 61 M HA 0.511 4.991 4.480 -0.000 0.000 0.299 61 M C 0.696 177.025 176.300 0.049 0.000 1.103 61 M CA -0.396 54.934 55.300 0.050 0.000 0.910 61 M CB 2.831 35.443 32.600 0.020 0.000 1.659 61 M HN 0.316 nan 8.290 nan 0.000 0.445 62 G N 1.006 109.851 108.800 0.076 0.000 2.481 62 G HA2 0.449 4.409 3.960 -0.000 0.000 0.315 62 G HA3 0.449 4.409 3.960 -0.000 0.000 0.315 62 G C -1.013 173.923 174.900 0.061 0.000 1.231 62 G CA -0.381 44.756 45.100 0.062 0.000 0.968 62 G HN 0.659 nan 8.290 nan 0.000 0.482 63 N N 1.107 119.834 118.700 0.045 0.000 3.044 63 N HA 0.270 5.010 4.740 -0.000 0.000 0.254 63 N C -0.214 175.325 175.510 0.047 0.000 1.253 63 N CA -0.238 52.839 53.050 0.046 0.000 0.944 63 N CB 1.311 39.817 38.487 0.032 0.000 1.217 63 N HN 0.445 nan 8.380 nan 0.000 0.498 64 V N -0.027 119.926 119.914 0.065 0.000 2.394 64 V HA 0.755 4.875 4.120 -0.000 0.000 0.282 64 V C 0.336 176.499 176.094 0.116 0.000 1.031 64 V CA -0.646 61.701 62.300 0.079 0.000 0.881 64 V CB 0.981 32.849 31.823 0.074 0.000 0.982 64 V HN 0.409 nan 8.190 nan 0.000 0.451 65 T N 2.932 117.545 114.554 0.098 0.000 2.861 65 T HA 0.839 5.189 4.350 -0.000 0.000 0.287 65 T C -0.750 174.020 174.700 0.117 0.000 1.003 65 T CA -0.526 61.607 62.100 0.056 0.000 0.977 65 T CB 1.568 70.419 68.868 -0.028 0.000 0.996 65 T HN 1.132 nan 8.240 nan 0.000 0.448 66 F N -0.629 119.313 119.950 -0.014 0.000 2.598 66 F HA 0.857 5.384 4.527 -0.000 0.000 0.327 66 F C -0.591 175.195 175.800 -0.022 0.000 1.057 66 F CA -1.239 56.748 58.000 -0.021 0.000 0.957 66 F CB 1.388 40.371 39.000 -0.029 0.000 1.278 66 F HN 0.486 nan 8.300 nan 0.000 0.484 67 T N 3.473 118.097 114.554 0.116 0.000 2.912 67 T HA 0.473 4.823 4.350 -0.000 0.000 0.326 67 T C -0.133 174.623 174.700 0.093 0.000 1.080 67 T CA -0.314 61.795 62.100 0.016 0.000 1.000 67 T CB 0.230 69.099 68.868 0.002 0.000 1.008 67 T HN 0.499 nan 8.240 nan 0.000 0.473 68 I N 4.866 125.486 120.570 0.083 0.000 2.556 68 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 68 I C -1.856 174.252 176.117 -0.014 0.000 1.114 68 I CA -2.263 59.082 61.300 0.076 0.000 1.418 68 I CB 0.691 38.721 38.000 0.050 0.000 1.394 68 I HN 0.247 nan 8.210 nan 0.000 0.552 69 P HA -0.107 nan 4.420 nan 0.000 0.269 69 P C 0.062 177.309 177.300 -0.087 0.000 1.205 69 P CA 0.403 63.516 63.100 0.022 0.000 0.780 69 P CB 0.424 32.214 31.700 0.150 0.000 0.858 70 A N -0.119 122.677 122.820 -0.040 0.000 2.930 70 A HA -0.183 4.137 4.320 -0.000 0.000 0.273 70 A C -0.019 177.621 177.584 0.094 0.000 1.435 70 A CA 0.506 52.559 52.037 0.027 0.000 0.780 70 A CB -2.681 16.330 19.000 0.017 0.000 1.034 70 A HN 0.576 nan 8.150 nan 0.000 0.562 71 N N -1.400 117.404 118.700 0.174 0.000 2.264 71 N HA 0.431 5.171 4.740 -0.000 0.000 0.288 71 N C 0.372 176.023 175.510 0.235 0.000 1.094 71 N CA -0.473 52.712 53.050 0.225 0.000 0.817 71 N CB 1.409 40.086 38.487 0.315 0.000 1.604 71 N HN 0.372 nan 8.380 nan 0.000 0.473 72 R N 0.769 121.349 120.500 0.134 0.000 2.323 72 R HA 0.067 4.407 4.340 -0.000 0.000 0.198 72 R C 0.076 176.417 176.300 0.068 0.000 0.988 72 R CA 0.760 56.921 56.100 0.102 0.000 1.041 72 R CB 0.278 30.616 30.300 0.063 0.000 0.926 72 R HN 0.445 nan 8.270 nan 0.000 0.476 73 E N -0.253 119.968 120.200 0.036 0.000 2.481 73 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 73 E C -0.425 176.014 176.600 -0.268 0.000 1.047 73 E CA 0.515 56.831 56.400 -0.140 0.000 0.867 73 E CB 0.153 29.705 29.700 -0.246 0.000 0.858 73 E HN 0.250 nan 8.360 nan 0.000 0.513 74 F N 1.640 121.605 119.950 0.024 0.000 2.441 74 F HA 0.272 4.799 4.527 -0.000 0.000 0.337 74 F C 0.687 176.498 175.800 0.018 0.000 1.182 74 F CA -0.230 57.782 58.000 0.021 0.000 1.279 74 F CB 0.365 39.376 39.000 0.018 0.000 1.614 74 F HN -0.369 nan 8.300 nan 0.000 0.574 79 G N 0.975 109.779 108.800 0.007 0.000 2.752 79 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.234 79 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.234 79 G C -0.593 174.318 174.900 0.019 0.000 1.367 79 G CA 0.351 45.456 45.100 0.009 0.000 0.879 79 G HN 0.711 nan 8.290 nan 0.000 0.563 80 R N -1.702 118.815 120.500 0.027 0.000 3.773 80 R HA -0.167 4.173 4.340 -0.000 0.000 0.514 80 R C 0.095 176.411 176.300 0.025 0.000 0.241 80 R CA 1.245 57.374 56.100 0.049 0.000 1.604 80 R CB -1.513 28.831 30.300 0.073 0.000 1.012 80 R HN 1.182 nan 8.270 nan 0.000 0.561 81 N N 0.751 119.473 118.700 0.037 0.000 2.357 81 N HA 0.430 5.170 4.740 -0.000 0.000 0.284 81 N C -1.104 174.310 175.510 -0.161 0.000 1.236 81 N CA -0.745 52.236 53.050 -0.116 0.000 0.774 81 N CB 1.730 40.074 38.487 -0.239 0.000 1.534 81 N HN 0.243 nan 8.380 nan 0.000 0.478 82 K N 0.633 120.838 120.400 -0.325 0.000 2.259 82 K HA 0.608 4.928 4.320 -0.000 0.000 0.252 82 K C -1.030 175.338 176.600 -0.387 0.000 0.936 82 K CA -0.419 55.796 56.287 -0.119 0.000 0.810 82 K CB 1.601 34.184 32.500 0.138 0.000 1.143 82 K HN 0.317 nan 8.250 nan 0.000 0.427 83 F N 0.356 120.437 119.950 0.218 0.000 2.611 83 F HA 0.564 5.091 4.527 -0.000 0.000 0.324 83 F C -0.271 175.663 175.800 0.224 0.000 1.061 83 F CA -1.159 56.920 58.000 0.131 0.000 0.954 83 F CB 1.736 40.691 39.000 -0.075 0.000 1.301 83 F HN 0.179 nan 8.300 nan 0.000 0.482 84 V N -1.967 118.148 119.914 0.336 0.000 2.789 84 V HA 0.607 4.727 4.120 -0.000 0.000 0.311 84 V C -0.591 175.619 176.094 0.192 0.000 1.073 84 V CA -0.761 61.710 62.300 0.285 0.000 0.921 84 V CB 1.288 33.246 31.823 0.225 0.000 1.009 84 V HN 0.726 nan 8.190 nan 0.000 0.426 85 T N 3.721 118.408 114.554 0.221 0.000 3.176 85 T HA 0.327 4.677 4.350 -0.000 0.000 0.301 85 T C 0.136 174.903 174.700 0.111 0.000 1.115 85 T CA -0.055 62.147 62.100 0.170 0.000 1.027 85 T CB 0.060 69.074 68.868 0.244 0.000 1.063 85 T HN 0.657 nan 8.240 nan 0.000 0.669 86 V N 4.557 124.490 119.914 0.031 0.000 2.446 86 V HA 0.177 4.297 4.120 -0.000 0.000 0.276 86 V C 0.422 176.496 176.094 -0.034 0.000 1.030 86 V CA -0.071 62.198 62.300 -0.053 0.000 1.033 86 V CB 0.501 32.293 31.823 -0.052 0.000 0.993 86 V HN 0.742 nan 8.190 nan 0.000 0.477 87 Q N 3.574 123.338 119.800 -0.060 0.000 2.365 87 Q HA 0.781 5.120 4.340 -0.000 0.000 0.269 87 Q C -0.992 174.946 176.000 -0.103 0.000 1.061 87 Q CA -0.747 55.038 55.803 -0.030 0.000 0.816 87 Q CB 2.268 31.042 28.738 0.060 0.000 1.325 87 Q HN 0.835 nan 8.270 nan 0.000 0.446 88 A N 2.333 125.091 122.820 -0.104 0.000 2.402 88 A HA 0.574 4.894 4.320 -0.000 0.000 0.291 88 A C -1.115 176.288 177.584 -0.301 0.000 1.051 88 A CA -0.520 51.371 52.037 -0.243 0.000 0.716 88 A CB 1.902 20.743 19.000 -0.266 0.000 1.223 88 A HN 0.611 nan 8.150 nan 0.000 0.425 89 T N 2.413 116.744 114.554 -0.372 0.000 2.758 89 T HA 0.498 4.848 4.350 -0.000 0.000 0.285 89 T C -0.782 173.636 174.700 -0.469 0.000 0.981 89 T CA 0.222 62.152 62.100 -0.284 0.000 0.965 89 T CB -0.061 68.713 68.868 -0.156 0.000 0.927 89 T HN 0.343 nan 8.240 nan 0.000 0.448 90 F N 3.200 122.994 119.950 -0.261 0.000 2.441 90 F HA 0.480 5.007 4.527 -0.000 0.000 0.337 90 F C 1.525 177.126 175.800 -0.332 0.000 1.182 90 F CA -0.339 57.430 58.000 -0.386 0.000 1.279 90 F CB -0.073 38.397 39.000 -0.884 0.000 1.614 90 F HN 0.924 nan 8.300 nan 0.000 0.574 91 G N 1.097 109.846 108.800 -0.085 0.000 5.426 91 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.297 91 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.297 91 G C 1.141 176.014 174.900 -0.045 0.000 1.422 91 G CA 0.912 45.983 45.100 -0.049 0.000 0.938 91 G HN 0.390 nan 8.290 nan 0.000 0.754 92 T N 0.207 114.734 114.554 -0.044 0.000 3.174 92 T HA 0.294 4.644 4.350 -0.000 0.000 0.252 92 T C 0.852 175.537 174.700 -0.024 0.000 0.984 92 T CA 0.979 63.064 62.100 -0.025 0.000 1.113 92 T CB 0.163 69.028 68.868 -0.005 0.000 1.088 92 T HN 0.563 nan 8.240 nan 0.000 0.442 93 Q N 3.176 122.955 119.800 -0.036 0.000 2.244 93 Q HA 0.230 4.570 4.340 -0.000 0.000 0.278 93 Q C -0.748 175.267 176.000 0.025 0.000 1.093 93 Q CA 0.055 55.852 55.803 -0.010 0.000 0.916 93 Q CB 0.290 29.018 28.738 -0.017 0.000 1.159 93 Q HN 0.248 nan 8.270 nan 0.000 0.384 94 V N 6.083 126.018 119.914 0.036 0.000 2.370 94 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 94 V C -0.983 175.157 176.094 0.076 0.000 1.029 94 V CA -0.590 61.737 62.300 0.045 0.000 0.870 94 V CB 1.457 33.285 31.823 0.009 0.000 0.984 94 V HN 0.610 nan 8.190 nan 0.000 0.451 95 V N 8.020 128.011 119.914 0.127 0.000 2.384 95 V HA 0.546 4.666 4.120 -0.000 0.000 0.287 95 V C -0.057 176.072 176.094 0.059 0.000 1.020 95 V CA -0.493 61.875 62.300 0.113 0.000 0.850 95 V CB 1.460 33.404 31.823 0.201 0.000 0.987 95 V HN 1.016 nan 8.190 nan 0.000 0.436 96 E N 3.894 124.109 120.200 0.025 0.000 2.312 96 E HA 0.882 5.232 4.350 -0.000 0.000 0.267 96 E C -1.131 175.463 176.600 -0.010 0.000 0.894 96 E CA -1.351 55.055 56.400 0.010 0.000 0.773 96 E CB 3.037 32.747 29.700 0.018 0.000 1.241 96 E HN 0.358 nan 8.360 nan 0.000 0.432 97 K N 1.366 121.757 120.400 -0.016 0.000 2.571 97 K HA 0.242 4.562 4.320 -0.000 0.000 0.252 97 K C -1.926 174.651 176.600 -0.039 0.000 0.956 97 K CA -0.604 55.661 56.287 -0.037 0.000 0.822 97 K CB 2.090 34.563 32.500 -0.044 0.000 1.286 97 K HN 0.462 nan 8.250 nan 0.000 0.439 98 V N 4.240 124.101 119.914 -0.089 0.000 2.555 98 V HA 0.433 4.553 4.120 -0.000 0.000 0.286 98 V C -0.245 175.822 176.094 -0.046 0.000 1.044 98 V CA -0.532 61.691 62.300 -0.128 0.000 1.026 98 V CB 1.243 32.837 31.823 -0.382 0.000 0.981 98 V HN 0.519 nan 8.190 nan 0.000 0.480 99 V N 5.511 125.459 119.914 0.058 0.000 2.735 99 V HA 0.409 4.529 4.120 -0.000 0.000 0.310 99 V C -0.167 176.075 176.094 0.247 0.000 1.061 99 V CA -0.843 61.533 62.300 0.126 0.000 0.913 99 V CB 1.852 33.735 31.823 0.100 0.000 1.005 99 V HN 0.711 nan 8.190 nan 0.000 0.428 100 L N 5.007 126.379 121.223 0.248 0.000 2.483 100 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 100 L C -0.271 176.556 176.870 -0.072 0.000 1.220 100 L CA 0.761 55.639 54.840 0.064 0.000 0.833 100 L CB 1.004 43.088 42.059 0.041 0.000 1.102 100 L HN 0.462 nan 8.230 nan 0.000 0.490 101 V N 4.046 123.825 119.914 -0.224 0.000 2.487 101 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 101 V C -0.094 175.890 176.094 -0.182 0.000 1.028 101 V CA -0.559 61.643 62.300 -0.164 0.000 0.860 101 V CB 1.510 33.251 31.823 -0.136 0.000 0.991 101 V HN 0.881 nan 8.190 nan 0.000 0.427 102 S N 4.243 119.848 115.700 -0.159 0.000 2.525 102 S HA 0.433 4.903 4.470 -0.000 0.000 0.278 102 S C 0.758 175.279 174.600 -0.131 0.000 1.234 102 S CA -0.744 57.373 58.200 -0.139 0.000 1.058 102 S CB 0.828 63.943 63.200 -0.143 0.000 0.983 102 S HN 0.551 nan 8.310 nan 0.000 0.495 103 L N 3.553 124.725 121.223 -0.086 0.000 2.492 103 L HA 0.170 4.510 4.340 -0.000 0.000 0.223 103 L C 1.138 177.995 176.870 -0.023 0.000 1.132 103 L CA 0.870 55.675 54.840 -0.057 0.000 0.850 103 L CB -1.402 40.646 42.059 -0.019 0.000 0.966 103 L HN 0.736 nan 8.230 nan 0.000 0.454 104 Q N -0.278 119.521 119.800 -0.002 0.000 2.286 104 Q HA 0.004 4.344 4.340 -0.000 0.000 0.290 104 Q C 1.096 177.167 176.000 0.118 0.000 1.049 104 Q CA 0.012 55.860 55.803 0.076 0.000 0.923 104 Q CB 0.911 29.740 28.738 0.153 0.000 1.183 104 Q HN 0.098 nan 8.270 nan 0.000 0.383 105 S N 0.959 116.620 115.700 -0.064 0.000 2.404 105 S HA 0.166 4.636 4.470 -0.000 0.000 0.223 105 S C 0.678 174.998 174.600 -0.466 0.000 1.040 105 S CA 0.605 58.617 58.200 -0.313 0.000 0.957 105 S CB 0.363 63.088 63.200 -0.791 0.000 0.826 105 S HN 0.875 nan 8.310 nan 0.000 0.491 106 G N -0.691 107.680 108.800 -0.714 0.000 2.539 106 G HA2 0.448 4.407 3.960 -0.000 0.000 0.138 106 G HA3 0.448 4.407 3.960 -0.000 0.000 0.138 106 G C -2.039 172.452 174.900 -0.682 0.000 1.148 106 G CA -0.740 43.772 45.100 -0.980 0.000 1.057 106 G HN 0.171 nan 8.290 nan 0.000 0.511 107 Y N -0.267 119.913 120.300 -0.200 0.000 2.485 107 Y HA 0.793 5.343 4.550 -0.000 0.000 0.345 107 Y C 0.056 175.450 175.900 -0.844 0.000 0.998 107 Y CA -0.752 57.090 58.100 -0.429 0.000 1.059 107 Y CB 2.335 40.530 38.460 -0.441 0.000 1.234 107 Y HN 0.321 nan 8.280 nan 0.000 0.461 108 L N 3.722 123.894 121.223 -1.752 0.000 2.381 108 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 108 L C -1.564 174.668 176.870 -1.065 0.000 0.988 108 L CA -0.576 53.466 54.840 -1.330 0.000 0.824 108 L CB 1.315 42.560 42.059 -1.356 0.000 1.263 108 L HN 0.489 nan 8.230 nan 0.000 0.410 109 F N 3.820 123.705 119.950 -0.109 0.000 2.467 109 F HA 0.553 5.080 4.527 -0.000 0.000 0.336 109 F C 0.129 176.059 175.800 0.216 0.000 1.123 109 F CA -0.584 57.447 58.000 0.053 0.000 0.964 109 F CB 1.576 40.566 39.000 -0.018 0.000 1.136 109 F HN 0.157 nan 8.300 nan 0.000 0.447 110 I N 3.121 123.898 120.570 0.346 0.000 2.378 110 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 110 I C -0.554 175.747 176.117 0.307 0.000 0.992 110 I CA -0.663 60.813 61.300 0.294 0.000 1.154 110 I CB 1.749 39.864 38.000 0.192 0.000 1.315 110 I HN 0.570 nan 8.210 nan 0.000 0.448 111 Q N 5.629 125.631 119.800 0.337 0.000 2.333 111 Q HA 0.510 4.850 4.340 -0.000 0.000 0.267 111 Q C -1.077 175.072 176.000 0.249 0.000 1.012 111 Q CA -0.625 55.354 55.803 0.293 0.000 0.824 111 Q CB 2.083 31.043 28.738 0.371 0.000 1.290 111 Q HN 0.774 nan 8.270 nan 0.000 0.449 112 T N 0.261 114.946 114.554 0.218 0.000 2.829 112 T HA 0.196 4.546 4.350 -0.000 0.000 0.280 112 T C 0.774 175.593 174.700 0.199 0.000 0.999 112 T CA -0.562 61.669 62.100 0.217 0.000 0.983 112 T CB 1.267 70.262 68.868 0.212 0.000 0.968 112 T HN 0.703 nan 8.240 nan 0.000 0.446 113 D N 3.116 123.630 120.400 0.190 0.000 2.103 113 D HA -0.162 4.478 4.640 -0.000 0.000 0.190 113 D C 0.508 176.835 176.300 0.045 0.000 0.997 113 D CA 1.435 55.510 54.000 0.126 0.000 0.833 113 D CB -0.096 40.772 40.800 0.114 0.000 0.961 113 D HN 0.637 nan 8.370 nan 0.000 0.447 114 K N -1.179 119.198 120.400 -0.039 0.000 2.267 114 K HA 0.409 4.729 4.320 -0.000 0.000 0.236 114 K C 1.173 177.622 176.600 -0.252 0.000 1.030 114 K CA 0.124 56.208 56.287 -0.338 0.000 0.930 114 K CB 1.267 33.340 32.500 -0.713 0.000 1.182 114 K HN 0.192 nan 8.250 nan 0.000 0.474 115 T N -2.517 111.835 114.554 -0.338 0.000 2.971 115 T HA 0.288 4.638 4.350 -0.000 0.000 0.252 115 T C 0.614 175.280 174.700 -0.057 0.000 1.022 115 T CA -0.169 61.871 62.100 -0.099 0.000 0.980 115 T CB 0.128 68.933 68.868 -0.105 0.000 1.044 115 T HN 0.474 nan 8.240 nan 0.000 0.501 116 I N 0.527 120.913 120.570 -0.306 0.000 2.692 116 I HA 0.594 4.764 4.170 -0.000 0.000 0.293 116 I C -2.052 173.960 176.117 -0.175 0.000 1.200 116 I CA -1.537 59.699 61.300 -0.107 0.000 1.036 116 I CB 2.036 39.905 38.000 -0.218 0.000 1.258 116 I HN 0.035 nan 8.210 nan 0.000 0.421 117 Y N 3.502 123.999 120.300 0.329 0.000 2.536 117 Y HA 0.549 5.099 4.550 -0.000 0.000 0.347 117 Y C 0.345 176.387 175.900 0.237 0.000 1.000 117 Y CA -0.833 57.433 58.100 0.276 0.000 1.051 117 Y CB 2.119 40.691 38.460 0.187 0.000 1.259 117 Y HN 0.535 nan 8.280 nan 0.000 0.468 118 T N -0.570 114.085 114.554 0.168 0.000 2.907 118 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 118 T C -2.886 171.809 174.700 -0.008 0.000 1.004 118 T CA -2.681 59.394 62.100 -0.041 0.000 1.063 118 T CB 1.325 70.014 68.868 -0.299 0.000 0.992 118 T HN 0.203 nan 8.240 nan 0.000 0.483 119 P HA 0.280 nan 4.420 nan 0.000 0.258 119 P C 1.081 178.328 177.300 -0.087 0.000 1.187 119 P CA 1.030 64.099 63.100 -0.053 0.000 0.767 119 P CB 0.146 31.832 31.700 -0.022 0.000 0.770 120 G N 1.979 110.701 108.800 -0.130 0.000 2.316 120 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.203 120 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.203 120 G C 0.416 175.235 174.900 -0.134 0.000 0.999 120 G CA 0.187 45.209 45.100 -0.130 0.000 0.649 120 G HN 0.707 nan 8.290 nan 0.000 0.489 121 S N -0.028 115.606 115.700 -0.110 0.000 2.686 121 S HA 0.741 5.211 4.470 -0.000 0.000 0.270 121 S C -0.024 174.490 174.600 -0.145 0.000 1.194 121 S CA 0.533 58.688 58.200 -0.075 0.000 0.990 121 S CB 1.807 65.023 63.200 0.027 0.000 1.029 121 S HN 0.568 nan 8.310 nan 0.000 0.560 122 T N 1.095 115.590 114.554 -0.098 0.000 2.829 122 T HA 0.496 4.846 4.350 -0.000 0.000 0.280 122 T C -0.684 173.938 174.700 -0.129 0.000 0.999 122 T CA -0.602 61.403 62.100 -0.159 0.000 0.983 122 T CB 1.324 70.122 68.868 -0.118 0.000 0.968 122 T HN 0.516 nan 8.240 nan 0.000 0.446 123 V N 5.026 124.785 119.914 -0.257 0.000 2.368 123 V HA 0.295 4.415 4.120 -0.000 0.000 0.266 123 V C 0.027 176.101 176.094 -0.032 0.000 1.045 123 V CA -0.562 61.514 62.300 -0.373 0.000 0.899 123 V CB 0.264 31.648 31.823 -0.732 0.000 1.006 123 V HN 0.686 nan 8.190 nan 0.000 0.470 124 L N 7.660 128.909 121.223 0.044 0.000 2.255 124 L HA 0.542 4.882 4.340 -0.000 0.000 0.289 124 L C -0.461 176.475 176.870 0.110 0.000 1.046 124 L CA -0.487 54.375 54.840 0.037 0.000 0.816 124 L CB 0.256 42.330 42.059 0.026 0.000 1.197 124 L HN 0.755 nan 8.230 nan 0.000 0.427 125 Y N 1.622 121.886 120.300 -0.059 0.000 2.576 125 Y HA 0.812 5.362 4.550 -0.000 0.000 0.346 125 Y C -0.784 175.079 175.900 -0.063 0.000 1.018 125 Y CA -1.520 56.554 58.100 -0.042 0.000 1.050 125 Y CB 1.481 39.903 38.460 -0.064 0.000 1.280 125 Y HN 0.353 nan 8.280 nan 0.000 0.474 126 R N 1.932 122.449 120.500 0.028 0.000 2.686 126 R HA 0.639 4.979 4.340 -0.000 0.000 0.283 126 R C -1.867 174.354 176.300 -0.132 0.000 0.978 126 R CA -1.037 54.953 56.100 -0.184 0.000 0.897 126 R CB 2.514 32.622 30.300 -0.319 0.000 1.192 126 R HN 0.666 nan 8.270 nan 0.000 0.457 127 I N 2.775 123.204 120.570 -0.235 0.000 2.354 127 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 127 I C -0.774 175.160 176.117 -0.305 0.000 0.989 127 I CA -0.243 60.969 61.300 -0.146 0.000 1.188 127 I CB 0.927 38.868 38.000 -0.098 0.000 1.342 127 I HN 0.384 nan 8.210 nan 0.000 0.457 128 F N 3.953 123.904 119.950 0.002 0.000 2.404 128 F HA 0.402 4.929 4.527 -0.000 0.000 0.354 128 F C 0.692 176.477 175.800 -0.026 0.000 1.122 128 F CA -0.780 57.238 58.000 0.030 0.000 1.080 128 F CB 1.224 40.307 39.000 0.138 0.000 1.131 128 F HN 0.383 nan 8.300 nan 0.000 0.471 129 T N 1.698 116.325 114.554 0.122 0.000 2.910 129 T HA 0.627 4.977 4.350 -0.000 0.000 0.323 129 T C -0.454 174.355 174.700 0.183 0.000 1.091 129 T CA -0.679 61.491 62.100 0.117 0.000 0.960 129 T CB 0.034 68.960 68.868 0.096 0.000 1.024 129 T HN 0.449 nan 8.240 nan 0.000 0.509 130 V N 1.532 121.560 119.914 0.190 0.000 2.919 130 V HA 0.759 4.879 4.120 -0.000 0.000 0.316 130 V C -0.029 176.122 176.094 0.094 0.000 1.077 130 V CA -1.384 61.014 62.300 0.162 0.000 0.977 130 V CB 1.583 33.533 31.823 0.212 0.000 1.039 130 V HN 0.862 nan 8.190 nan 0.000 0.441 131 N N 0.799 119.534 118.700 0.058 0.000 2.381 131 N HA 0.172 4.912 4.740 -0.000 0.000 0.289 131 N C 0.388 175.911 175.510 0.021 0.000 1.288 131 N CA -0.061 52.972 53.050 -0.028 0.000 0.960 131 N CB -0.527 37.972 38.487 0.020 0.000 1.116 131 N HN 0.797 nan 8.380 nan 0.000 0.557 132 H N -1.929 117.175 119.070 0.057 0.000 2.612 132 H HA 0.245 4.801 4.556 -0.000 0.000 0.285 132 H C -0.065 175.405 175.328 0.236 0.000 1.066 132 H CA 0.401 56.538 56.048 0.149 0.000 1.180 132 H CB -0.056 29.717 29.762 0.019 0.000 1.312 132 H HN 0.453 nan 8.280 nan 0.000 0.606 133 K N 0.182 120.747 120.400 0.276 0.000 2.553 133 K HA 0.191 4.511 4.320 -0.000 0.000 0.205 133 K C -0.312 176.403 176.600 0.191 0.000 1.168 133 K CA -0.040 56.378 56.287 0.219 0.000 1.043 133 K CB 1.313 33.901 32.500 0.145 0.000 0.967 133 K HN 0.084 nan 8.250 nan 0.000 0.585 134 L N 1.644 122.990 121.223 0.205 0.000 3.608 134 L HA -0.227 4.113 4.340 -0.000 0.000 0.422 134 L C -0.856 176.077 176.870 0.104 0.000 1.260 134 L CA 0.414 55.338 54.840 0.140 0.000 0.889 134 L CB -1.617 40.469 42.059 0.043 0.000 1.821 134 L HN 0.244 nan 8.230 nan 0.000 0.884 135 L N -0.439 120.851 121.223 0.112 0.000 2.354 135 L HA 0.656 4.996 4.340 -0.000 0.000 0.269 135 L C -2.028 174.896 176.870 0.089 0.000 1.005 135 L CA -1.980 52.912 54.840 0.087 0.000 0.819 135 L CB 2.039 44.143 42.059 0.075 0.000 1.311 135 L HN -0.237 nan 8.230 nan 0.000 0.423 136 P HA 0.085 nan 4.420 nan 0.000 0.267 136 P C -1.152 176.187 177.300 0.065 0.000 1.200 136 P CA 0.089 63.238 63.100 0.082 0.000 0.772 136 P CB 0.916 32.656 31.700 0.067 0.000 0.855 137 V N 1.986 121.940 119.914 0.067 0.000 3.023 137 V HA 0.641 4.761 4.120 -0.000 0.000 0.294 137 V C -0.586 175.542 176.094 0.057 0.000 1.324 137 V CA -0.574 61.757 62.300 0.051 0.000 0.979 137 V CB 2.227 34.072 31.823 0.037 0.000 1.093 137 V HN 0.644 nan 8.190 nan 0.000 0.434 138 G N 5.358 114.182 108.800 0.041 0.000 2.356 138 G HA2 0.672 4.632 3.960 -0.000 0.000 0.300 138 G HA3 0.672 4.632 3.960 -0.000 0.000 0.300 138 G C -0.458 174.475 174.900 0.055 0.000 1.107 138 G CA -0.351 44.773 45.100 0.039 0.000 0.960 138 G HN 0.625 nan 8.290 nan 0.000 0.418 139 R N 1.238 121.792 120.500 0.089 0.000 2.836 139 R HA 0.486 4.826 4.340 -0.000 0.000 0.269 139 R C -0.750 175.611 176.300 0.101 0.000 1.010 139 R CA -0.745 55.438 56.100 0.138 0.000 0.930 139 R CB 1.618 32.112 30.300 0.323 0.000 1.218 139 R HN 0.418 nan 8.270 nan 0.000 0.473 140 T N 1.289 115.905 114.554 0.103 0.000 2.743 140 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 140 T C -0.118 174.579 174.700 -0.006 0.000 0.945 140 T CA -0.352 61.768 62.100 0.034 0.000 1.030 140 T CB 0.904 69.789 68.868 0.029 0.000 0.912 140 T HN 0.119 nan 8.240 nan 0.000 0.483 141 V N 5.232 125.078 119.914 -0.113 0.000 2.555 141 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 141 V C -0.123 175.799 176.094 -0.285 0.000 1.038 141 V CA -1.015 61.133 62.300 -0.254 0.000 0.887 141 V CB 1.901 33.534 31.823 -0.318 0.000 0.991 141 V HN 0.782 nan 8.190 nan 0.000 0.434 142 M N 4.335 123.636 119.600 -0.499 0.000 2.264 142 M HA 0.553 5.033 4.480 -0.000 0.000 0.352 142 M C -0.757 175.291 176.300 -0.420 0.000 1.173 142 M CA -0.443 54.535 55.300 -0.538 0.000 1.075 142 M CB 1.427 33.453 32.600 -0.956 0.000 1.621 142 M HN 0.356 nan 8.290 nan 0.000 0.457 143 V N 4.328 124.125 119.914 -0.193 0.000 2.483 143 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 143 V C -0.513 175.561 176.094 -0.033 0.000 1.027 143 V CA -0.887 61.364 62.300 -0.082 0.000 0.855 143 V CB 2.098 33.912 31.823 -0.014 0.000 0.995 143 V HN 0.805 nan 8.190 nan 0.000 0.424 144 N N 3.658 122.352 118.700 -0.010 0.000 2.381 144 N HA 0.707 5.447 4.740 -0.000 0.000 0.294 144 N C -1.027 174.437 175.510 -0.077 0.000 1.216 144 N CA -0.566 52.476 53.050 -0.014 0.000 0.803 144 N CB 2.505 41.016 38.487 0.041 0.000 1.372 144 N HN 0.529 nan 8.380 nan 0.000 0.500 145 I N 0.818 121.319 120.570 -0.115 0.000 2.493 145 I HA 0.204 4.374 4.170 -0.000 0.000 0.279 145 I C -0.410 175.654 176.117 -0.087 0.000 1.045 145 I CA -0.424 60.763 61.300 -0.188 0.000 1.106 145 I CB 1.358 39.058 38.000 -0.500 0.000 1.216 145 I HN 0.217 nan 8.210 nan 0.000 0.459 146 E N 5.054 125.218 120.200 -0.061 0.000 2.227 146 E HA 0.189 4.539 4.350 -0.000 0.000 0.282 146 E C -0.437 176.001 176.600 -0.270 0.000 1.015 146 E CA -0.743 55.587 56.400 -0.116 0.000 0.823 146 E CB 1.308 30.935 29.700 -0.122 0.000 1.081 146 E HN 0.522 nan 8.360 nan 0.000 0.396 147 N N 3.101 121.472 118.700 -0.548 0.000 2.288 147 N HA 0.029 4.769 4.740 -0.000 0.000 0.237 147 N C -2.112 172.811 175.510 -0.978 0.000 1.311 147 N CA -1.438 50.757 53.050 -1.425 0.000 0.909 147 N CB -0.206 37.639 38.487 -1.069 0.000 1.167 147 N HN 0.062 nan 8.380 nan 0.000 0.476 148 P HA -0.193 nan 4.420 nan 0.000 0.217 148 P C 0.516 177.598 177.300 -0.363 0.000 1.148 148 P CA 1.752 64.495 63.100 -0.594 0.000 0.834 148 P CB -0.061 31.353 31.700 -0.476 0.000 0.783 149 E N -1.225 118.772 120.200 -0.339 0.000 2.476 149 E HA 0.191 4.541 4.350 -0.000 0.000 0.191 149 E C 0.792 177.282 176.600 -0.184 0.000 1.064 149 E CA 0.364 56.637 56.400 -0.212 0.000 0.866 149 E CB -0.877 28.723 29.700 -0.167 0.000 0.952 149 E HN 0.092 nan 8.360 nan 0.000 0.492 150 G N 1.683 110.350 108.800 -0.221 0.000 2.225 150 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.264 150 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.264 150 G C -0.210 174.612 174.900 -0.130 0.000 1.060 150 G CA 0.075 45.078 45.100 -0.162 0.000 0.833 150 G HN 0.294 nan 8.290 nan 0.000 0.498 151 I N 0.382 120.861 120.570 -0.151 0.000 2.410 151 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 151 I C -2.222 173.849 176.117 -0.076 0.000 1.009 151 I CA -3.229 58.014 61.300 -0.096 0.000 1.111 151 I CB 1.622 39.573 38.000 -0.081 0.000 1.262 151 I HN -0.170 nan 8.210 nan 0.000 0.443 152 P HA 0.014 nan 4.420 nan 0.000 0.264 152 P C 0.962 178.271 177.300 0.014 0.000 1.193 152 P CA 0.245 63.334 63.100 -0.018 0.000 0.763 152 P CB 0.718 32.416 31.700 -0.003 0.000 0.810 153 V N 0.595 120.532 119.914 0.038 0.000 3.612 153 V HA 0.344 4.464 4.120 -0.000 0.000 0.268 153 V C 0.409 176.555 176.094 0.087 0.000 1.365 153 V CA 0.594 62.953 62.300 0.100 0.000 1.044 153 V CB -0.322 31.636 31.823 0.226 0.000 0.820 153 V HN 0.415 nan 8.190 nan 0.000 0.444 154 K N 1.874 122.287 120.400 0.021 0.000 2.550 154 K HA 0.484 4.804 4.320 -0.000 0.000 0.252 154 K C -1.891 174.706 176.600 -0.005 0.000 0.943 154 K CA -0.425 55.876 56.287 0.024 0.000 0.806 154 K CB 1.986 34.502 32.500 0.026 0.000 1.289 154 K HN 0.368 nan 8.250 nan 0.000 0.435 155 Q N 3.149 122.960 119.800 0.019 0.000 2.289 155 Q HA 0.475 4.815 4.340 -0.000 0.000 0.270 155 Q C -1.638 174.370 176.000 0.013 0.000 1.038 155 Q CA -0.573 55.237 55.803 0.012 0.000 0.812 155 Q CB 2.281 31.033 28.738 0.024 0.000 1.300 155 Q HN 0.590 nan 8.270 nan 0.000 0.427 156 D N 0.975 121.374 120.400 -0.002 0.000 2.531 156 D HA 0.445 5.085 4.640 -0.000 0.000 0.244 156 D C -1.082 175.193 176.300 -0.041 0.000 1.090 156 D CA -0.441 53.554 54.000 -0.008 0.000 0.989 156 D CB 2.100 42.902 40.800 0.004 0.000 1.433 156 D HN 0.455 nan 8.370 nan 0.000 0.492 157 S N 0.905 116.581 115.700 -0.039 0.000 2.542 157 S HA 0.491 4.961 4.470 -0.000 0.000 0.245 157 S C -0.874 173.694 174.600 -0.053 0.000 1.325 157 S CA -0.527 57.638 58.200 -0.058 0.000 1.176 157 S CB -0.461 62.716 63.200 -0.038 0.000 1.045 157 S HN 0.213 nan 8.310 nan 0.000 0.481 158 L N 2.267 123.447 121.223 -0.071 0.000 2.569 158 L HA 0.753 5.093 4.340 -0.000 0.000 0.247 158 L C 0.483 177.316 176.870 -0.062 0.000 1.135 158 L CA -0.270 54.532 54.840 -0.064 0.000 0.812 158 L CB 1.191 43.205 42.059 -0.076 0.000 1.431 158 L HN 0.546 nan 8.230 nan 0.000 0.499 159 S N -1.823 113.845 115.700 -0.053 0.000 2.603 159 S HA 0.285 4.755 4.470 -0.000 0.000 0.274 159 S C 0.168 174.745 174.600 -0.038 0.000 1.168 159 S CA -0.153 58.026 58.200 -0.035 0.000 0.963 159 S CB 1.065 64.254 63.200 -0.017 0.000 1.078 159 S HN 0.627 nan 8.310 nan 0.000 0.477 160 S N 3.012 118.695 115.700 -0.029 0.000 2.660 160 S HA 0.086 4.556 4.470 -0.000 0.000 0.223 160 S C 0.613 175.206 174.600 -0.012 0.000 0.963 160 S CA 0.034 58.216 58.200 -0.030 0.000 0.932 160 S CB -0.275 62.914 63.200 -0.018 0.000 0.775 160 S HN 0.706 nan 8.310 nan 0.000 0.531 161 Q N 2.387 122.184 119.800 -0.005 0.000 2.315 161 Q HA 0.125 4.465 4.340 -0.000 0.000 0.289 161 Q C 0.177 176.172 176.000 -0.008 0.000 1.044 161 Q CA 0.751 56.554 55.803 -0.000 0.000 0.920 161 Q CB -0.213 28.526 28.738 0.002 0.000 1.214 161 Q HN 0.385 nan 8.270 nan 0.000 0.392 162 N N 2.301 120.999 118.700 -0.004 0.000 2.681 162 N HA -0.243 4.497 4.740 -0.000 0.000 0.250 162 N C -0.326 175.175 175.510 -0.015 0.000 1.133 162 N CA 1.379 54.424 53.050 -0.008 0.000 0.732 162 N CB -0.896 37.586 38.487 -0.008 0.000 1.107 162 N HN 0.673 nan 8.380 nan 0.000 0.559 163 Q N -0.047 119.741 119.800 -0.019 0.000 2.189 163 Q HA 0.385 4.725 4.340 -0.000 0.000 0.223 163 Q C 0.044 176.027 176.000 -0.028 0.000 0.828 163 Q CA -0.217 55.566 55.803 -0.033 0.000 0.967 163 Q CB 0.451 29.159 28.738 -0.049 0.000 1.139 163 Q HN 0.312 nan 8.270 nan 0.000 0.497 164 L N 0.080 121.297 121.223 -0.010 0.000 3.512 164 L HA -0.155 4.185 4.340 -0.000 0.000 0.446 164 L C 0.489 177.368 176.870 0.015 0.000 1.290 164 L CA 1.148 55.991 54.840 0.005 0.000 0.871 164 L CB -1.502 40.558 42.059 0.001 0.000 1.767 164 L HN 0.422 nan 8.230 nan 0.000 0.855 165 G N -0.614 108.196 108.800 0.016 0.000 2.283 165 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.280 165 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.280 165 G C 0.166 175.056 174.900 -0.016 0.000 1.029 165 G CA 0.414 45.536 45.100 0.037 0.000 0.840 165 G HN 1.278 nan 8.290 nan 0.000 0.505 166 V N 0.302 120.155 119.914 -0.103 0.000 2.612 166 V HA 0.504 4.624 4.120 -0.000 0.000 0.301 166 V C 0.145 176.097 176.094 -0.236 0.000 1.059 166 V CA -0.711 61.434 62.300 -0.260 0.000 0.886 166 V CB 1.993 33.681 31.823 -0.224 0.000 1.007 166 V HN 0.252 nan 8.190 nan 0.000 0.426 167 L N 6.892 127.939 121.223 -0.293 0.000 2.371 167 L HA 0.428 4.768 4.340 -0.000 0.000 0.262 167 L C -2.487 174.220 176.870 -0.272 0.000 1.054 167 L CA -1.582 53.120 54.840 -0.230 0.000 0.924 167 L CB 1.881 43.828 42.059 -0.187 0.000 1.295 167 L HN 0.411 nan 8.230 nan 0.000 0.441 168 P HA 0.206 nan 4.420 nan 0.000 0.267 168 P C -0.592 176.518 177.300 -0.316 0.000 1.205 168 P CA 0.427 63.372 63.100 -0.258 0.000 0.765 168 P CB 0.830 32.422 31.700 -0.181 0.000 0.828 169 L N 1.737 122.670 121.223 -0.484 0.000 2.510 169 L HA 0.719 5.059 4.340 -0.000 0.000 0.252 169 L C -0.473 176.003 176.870 -0.658 0.000 1.091 169 L CA -0.628 53.820 54.840 -0.653 0.000 0.888 169 L CB 2.332 43.758 42.059 -1.056 0.000 1.507 169 L HN 0.402 nan 8.230 nan 0.000 0.407 170 S N -1.058 114.381 115.700 -0.435 0.000 2.543 170 S HA 0.570 5.040 4.470 -0.000 0.000 0.274 170 S C -2.226 172.496 174.600 0.204 0.000 1.149 170 S CA -0.761 57.381 58.200 -0.097 0.000 0.866 170 S CB 1.664 64.809 63.200 -0.092 0.000 1.111 170 S HN 0.619 nan 8.310 nan 0.000 0.457 171 W N 2.181 123.498 121.300 0.028 0.000 2.900 171 W HA 0.618 5.278 4.660 -0.000 0.000 0.336 171 W C -1.974 174.477 176.519 -0.114 0.000 1.064 171 W CA -0.503 56.829 57.345 -0.022 0.000 1.237 171 W CB 1.421 30.871 29.460 -0.017 0.000 1.391 171 W HN 0.690 nan 8.180 nan 0.000 0.468 172 D N 5.875 125.846 120.400 -0.714 0.000 2.295 172 D HA 0.256 4.896 4.640 -0.000 0.000 0.248 172 D C 0.107 175.638 176.300 -1.282 0.000 1.154 172 D CA 0.254 53.809 54.000 -0.741 0.000 0.857 172 D CB 1.093 41.642 40.800 -0.418 0.000 1.117 172 D HN 0.273 nan 8.370 nan 0.000 0.468 173 I N 4.172 124.132 120.570 -1.018 0.000 2.337 173 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 173 I C -1.999 173.803 176.117 -0.525 0.000 1.046 173 I CA -1.931 58.771 61.300 -0.996 0.000 1.324 173 I CB 0.746 38.361 38.000 -0.641 0.000 1.409 173 I HN 0.014 nan 8.210 nan 0.000 0.494 174 P HA 0.002 nan 4.420 nan 0.000 0.267 174 P C 0.545 177.766 177.300 -0.132 0.000 1.200 174 P CA -0.111 62.869 63.100 -0.201 0.000 0.772 174 P CB 0.662 32.304 31.700 -0.098 0.000 0.855 175 E N 1.391 121.536 120.200 -0.093 0.000 2.077 175 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 175 E C 0.674 177.259 176.600 -0.025 0.000 0.989 175 E CA 1.266 57.630 56.400 -0.061 0.000 0.800 175 E CB -0.158 29.511 29.700 -0.050 0.000 0.746 175 E HN 0.476 nan 8.360 nan 0.000 0.452 176 L N 1.820 123.038 121.223 -0.009 0.000 2.512 176 L HA 0.238 4.578 4.340 -0.000 0.000 0.247 176 L C 0.102 177.009 176.870 0.060 0.000 1.204 176 L CA -0.465 54.390 54.840 0.024 0.000 1.153 176 L CB 0.795 42.868 42.059 0.024 0.000 1.415 176 L HN -0.161 nan 8.230 nan 0.000 0.406 177 V N 1.014 120.975 119.914 0.079 0.000 3.093 177 V HA 0.465 4.585 4.120 -0.000 0.000 0.320 177 V C -0.235 176.001 176.094 0.237 0.000 1.093 177 V CA -0.729 61.674 62.300 0.171 0.000 1.016 177 V CB 2.480 34.369 31.823 0.109 0.000 1.096 177 V HN 0.538 nan 8.190 nan 0.000 0.452 178 N N 3.288 122.226 118.700 0.396 0.000 2.422 178 N HA 0.401 5.141 4.740 -0.000 0.000 0.264 178 N C -0.424 175.314 175.510 0.380 0.000 1.063 178 N CA -0.284 52.947 53.050 0.303 0.000 0.959 178 N CB 0.977 39.577 38.487 0.188 0.000 1.087 178 N HN 0.555 nan 8.380 nan 0.000 0.483 179 M N 1.407 121.142 119.600 0.225 0.000 2.248 179 M HA 0.392 4.872 4.480 -0.000 0.000 0.337 179 M C 1.080 177.467 176.300 0.146 0.000 1.121 179 M CA 0.706 56.133 55.300 0.211 0.000 1.155 179 M CB 0.269 32.948 32.600 0.131 0.000 1.514 179 M HN 0.787 nan 8.290 nan 0.000 0.452 180 G N 1.434 110.327 108.800 0.156 0.000 2.346 180 G HA2 0.026 3.986 3.960 -0.000 0.000 0.294 180 G HA3 0.026 3.986 3.960 -0.000 0.000 0.294 180 G C -1.686 173.242 174.900 0.047 0.000 1.294 180 G CA -1.017 44.105 45.100 0.036 0.000 0.962 180 G HN 0.479 nan 8.290 nan 0.000 0.508 181 Q N 0.210 119.969 119.800 -0.068 0.000 2.423 181 Q HA 0.303 4.643 4.340 -0.000 0.000 0.235 181 Q C -0.543 175.328 176.000 -0.215 0.000 1.100 181 Q CA -0.006 55.746 55.803 -0.085 0.000 0.908 181 Q CB 0.581 29.277 28.738 -0.070 0.000 1.312 181 Q HN 0.415 nan 8.270 nan 0.000 0.497 182 W N 2.057 123.071 121.300 -0.477 0.000 2.129 182 W HA 0.272 4.932 4.660 -0.000 0.000 0.349 182 W C 0.723 176.897 176.519 -0.576 0.000 1.279 182 W CA -0.021 56.941 57.345 -0.637 0.000 1.306 182 W CB 0.669 29.503 29.460 -1.043 0.000 1.140 182 W HN 0.246 nan 8.180 nan 0.000 0.613 183 K N 1.713 122.052 120.400 -0.102 0.000 2.513 183 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 183 K C -1.475 175.164 176.600 0.064 0.000 0.939 183 K CA -0.596 55.688 56.287 -0.004 0.000 0.793 183 K CB 1.101 33.572 32.500 -0.048 0.000 1.241 183 K HN 0.423 nan 8.250 nan 0.000 0.431 184 I N 5.164 125.791 120.570 0.094 0.000 2.337 184 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 184 I C -0.136 175.982 176.117 0.002 0.000 1.041 184 I CA -0.706 60.579 61.300 -0.026 0.000 1.199 184 I CB 1.171 39.063 38.000 -0.181 0.000 1.370 184 I HN 0.381 nan 8.210 nan 0.000 0.470 185 R N 4.912 125.418 120.500 0.010 0.000 2.474 185 R HA 0.886 5.226 4.340 -0.000 0.000 0.295 185 R C -0.554 175.806 176.300 0.100 0.000 0.980 185 R CA -0.631 55.513 56.100 0.073 0.000 0.934 185 R CB 2.107 32.452 30.300 0.075 0.000 1.101 185 R HN 0.685 nan 8.270 nan 0.000 0.469 186 A N 1.970 124.894 122.820 0.173 0.000 2.606 186 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 186 A C -1.814 175.949 177.584 0.298 0.000 1.082 186 A CA -0.804 51.304 52.037 0.119 0.000 0.685 186 A CB 1.507 20.509 19.000 0.003 0.000 1.284 186 A HN 0.797 nan 8.150 nan 0.000 0.408 187 Y N -2.499 117.811 120.300 0.017 0.000 2.638 187 Y HA 0.633 5.183 4.550 -0.000 0.000 0.334 187 Y C -1.524 174.353 175.900 -0.038 0.000 1.182 187 Y CA -1.585 56.556 58.100 0.068 0.000 1.102 187 Y CB 0.059 38.579 38.460 0.101 0.000 1.343 187 Y HN 0.649 nan 8.280 nan 0.000 0.463 188 Y N 1.890 122.308 120.300 0.196 0.000 2.480 188 Y HA 0.124 4.674 4.550 -0.000 0.000 0.338 188 Y C 1.803 177.786 175.900 0.138 0.000 1.220 188 Y CA 0.534 58.680 58.100 0.077 0.000 1.430 188 Y CB 0.979 39.487 38.460 0.079 0.000 1.311 188 Y HN 0.923 nan 8.280 nan 0.000 0.575 189 E N 1.028 121.351 120.200 0.206 0.000 2.204 189 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 189 E C 0.453 177.176 176.600 0.204 0.000 0.989 189 E CA 0.935 57.439 56.400 0.173 0.000 0.824 189 E CB 0.093 29.847 29.700 0.090 0.000 0.756 189 E HN 0.635 nan 8.360 nan 0.000 0.477 190 N N 0.265 119.081 118.700 0.193 0.000 2.313 190 N HA 0.005 4.745 4.740 -0.000 0.000 0.207 190 N C -0.872 174.719 175.510 0.134 0.000 1.141 190 N CA 0.463 53.592 53.050 0.132 0.000 0.830 190 N CB 1.175 39.705 38.487 0.072 0.000 1.008 190 N HN 0.014 nan 8.380 nan 0.000 0.481 191 S N -1.934 113.892 115.700 0.209 0.000 2.787 191 S HA 0.224 4.694 4.470 -0.000 0.000 0.140 191 S C -2.363 172.345 174.600 0.181 0.000 1.240 191 S CA -0.805 57.497 58.200 0.170 0.000 1.163 191 S CB 1.343 64.649 63.200 0.177 0.000 1.652 191 S HN -0.133 nan 8.310 nan 0.000 0.443 192 P HA -0.199 nan 4.420 nan 0.000 0.219 192 P C 1.608 178.723 177.300 -0.309 0.000 1.146 192 P CA 1.286 64.273 63.100 -0.188 0.000 0.808 192 P CB 0.098 31.735 31.700 -0.105 0.000 0.779 193 Q N 0.481 120.200 119.800 -0.134 0.000 2.083 193 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 193 Q C 1.315 177.231 176.000 -0.140 0.000 0.969 193 Q CA 0.963 56.687 55.803 -0.133 0.000 0.838 193 Q CB -1.163 27.529 28.738 -0.078 0.000 0.900 193 Q HN 0.337 nan 8.270 nan 0.000 0.436 194 Q N 1.541 121.287 119.800 -0.091 0.000 2.348 194 Q HA 0.335 4.675 4.340 -0.000 0.000 0.251 194 Q C -1.405 174.499 176.000 -0.161 0.000 1.113 194 Q CA -0.207 55.509 55.803 -0.145 0.000 0.902 194 Q CB 0.612 29.302 28.738 -0.080 0.000 1.333 194 Q HN 0.065 nan 8.270 nan 0.000 0.457 195 V N 5.580 125.339 119.914 -0.257 0.000 2.459 195 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 195 V C -0.582 175.357 176.094 -0.257 0.000 1.029 195 V CA -0.595 61.632 62.300 -0.122 0.000 0.874 195 V CB 1.095 32.863 31.823 -0.091 0.000 0.985 195 V HN 0.566 nan 8.190 nan 0.000 0.438 196 F N 1.916 121.899 119.950 0.054 0.000 2.425 196 F HA 0.756 5.283 4.527 -0.000 0.000 0.331 196 F C 0.706 176.531 175.800 0.042 0.000 1.085 196 F CA -0.230 57.790 58.000 0.033 0.000 1.028 196 F CB 1.942 40.938 39.000 -0.007 0.000 1.177 196 F HN 0.401 nan 8.300 nan 0.000 0.487 197 S N 0.074 115.903 115.700 0.214 0.000 2.556 197 S HA 0.754 5.224 4.470 -0.000 0.000 0.271 197 S C -1.089 173.601 174.600 0.149 0.000 1.135 197 S CA -0.863 57.423 58.200 0.143 0.000 0.858 197 S CB 2.247 65.496 63.200 0.081 0.000 1.114 197 S HN 0.539 nan 8.310 nan 0.000 0.468 198 T N 1.987 116.623 114.554 0.137 0.000 2.952 198 T HA 0.436 4.786 4.350 -0.000 0.000 0.305 198 T C -1.129 173.683 174.700 0.186 0.000 1.064 198 T CA -0.743 61.455 62.100 0.162 0.000 1.008 198 T CB 1.657 70.632 68.868 0.179 0.000 1.078 198 T HN 0.545 nan 8.240 nan 0.000 0.459 199 E N 1.659 121.971 120.200 0.185 0.000 2.222 199 E HA 0.686 5.036 4.350 -0.000 0.000 0.272 199 E C -1.080 175.719 176.600 0.331 0.000 0.982 199 E CA -0.818 55.690 56.400 0.180 0.000 0.842 199 E CB 1.421 31.172 29.700 0.084 0.000 1.144 199 E HN 0.577 nan 8.360 nan 0.000 0.397 200 F N -1.190 118.867 119.950 0.178 0.000 2.596 200 F HA 0.413 4.940 4.527 -0.000 0.000 0.311 200 F C -0.742 175.235 175.800 0.295 0.000 1.116 200 F CA -1.172 56.982 58.000 0.257 0.000 0.957 200 F CB 1.077 40.296 39.000 0.365 0.000 1.250 200 F HN 0.274 nan 8.300 nan 0.000 0.444 201 E N 2.554 122.935 120.200 0.303 0.000 2.259 201 E HA 0.574 4.924 4.350 -0.000 0.000 0.281 201 E C -1.558 175.250 176.600 0.347 0.000 1.027 201 E CA -0.771 55.754 56.400 0.208 0.000 0.838 201 E CB 1.697 31.474 29.700 0.129 0.000 1.066 201 E HN 0.675 nan 8.360 nan 0.000 0.401 202 V N 5.765 125.869 119.914 0.318 0.000 2.357 202 V HA 0.431 4.551 4.120 -0.000 0.000 0.284 202 V C -0.230 176.032 176.094 0.281 0.000 1.018 202 V CA -0.409 62.094 62.300 0.339 0.000 0.841 202 V CB 1.197 33.191 31.823 0.285 0.000 0.991 202 V HN 0.672 nan 8.190 nan 0.000 0.437 203 K N 3.653 124.227 120.400 0.289 0.000 2.587 203 K HA 0.437 4.757 4.320 -0.000 0.000 0.276 203 K C -1.142 175.605 176.600 0.245 0.000 0.956 203 K CA -0.732 55.705 56.287 0.250 0.000 0.857 203 K CB 2.363 35.005 32.500 0.236 0.000 1.431 203 K HN 0.638 nan 8.250 nan 0.000 0.420 204 E N 2.922 123.204 120.200 0.136 0.000 2.223 204 E HA 0.207 4.557 4.350 -0.000 0.000 0.282 204 E C -1.018 175.644 176.600 0.104 0.000 1.046 204 E CA -0.171 56.245 56.400 0.028 0.000 0.857 204 E CB 0.386 30.094 29.700 0.013 0.000 1.055 204 E HN 0.464 nan 8.360 nan 0.000 0.409 205 Y N -0.526 119.776 120.300 0.004 0.000 2.764 205 Y HA 0.638 5.188 4.550 -0.000 0.000 0.331 205 Y C -1.422 174.468 175.900 -0.015 0.000 1.280 205 Y CA -1.422 56.672 58.100 -0.009 0.000 1.065 205 Y CB 0.795 39.245 38.460 -0.016 0.000 1.319 205 Y HN 0.149 nan 8.280 nan 0.000 0.453 206 V N -0.192 119.888 119.914 0.276 0.000 2.777 206 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 206 V C -1.125 175.087 176.094 0.196 0.000 1.112 206 V CA -1.078 61.321 62.300 0.164 0.000 0.917 206 V CB 1.258 33.114 31.823 0.055 0.000 1.018 206 V HN 0.821 nan 8.190 nan 0.000 0.426 207 L N 6.151 127.479 121.223 0.175 0.000 2.499 207 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 207 L C -1.743 175.145 176.870 0.030 0.000 1.195 207 L CA -0.191 54.702 54.840 0.089 0.000 0.882 207 L CB -0.504 41.604 42.059 0.082 0.000 1.133 207 L HN 0.600 nan 8.230 nan 0.000 0.483 208 P HA 0.183 nan 4.420 nan 0.000 0.273 208 P C 0.241 177.516 177.300 -0.042 0.000 1.250 208 P CA -0.365 62.663 63.100 -0.119 0.000 0.793 208 P CB 0.589 32.126 31.700 -0.272 0.000 1.011 209 S N -0.771 114.917 115.700 -0.019 0.000 2.486 209 S HA 0.181 4.651 4.470 -0.000 0.000 0.220 209 S C 0.360 175.155 174.600 0.325 0.000 1.011 209 S CA -0.054 58.293 58.200 0.245 0.000 0.921 209 S CB -0.708 62.761 63.200 0.448 0.000 0.785 209 S HN 0.500 nan 8.310 nan 0.000 0.517 210 F N 1.085 121.053 119.950 0.029 0.000 2.643 210 F HA 0.830 5.357 4.527 -0.000 0.000 0.314 210 F C -0.782 174.959 175.800 -0.098 0.000 1.096 210 F CA -1.370 56.553 58.000 -0.129 0.000 0.953 210 F CB 0.936 39.637 39.000 -0.499 0.000 1.345 210 F HN 0.135 nan 8.300 nan 0.000 0.468 211 E N 0.733 120.991 120.200 0.097 0.000 2.222 211 E HA 0.751 5.101 4.350 -0.000 0.000 0.267 211 E C -1.715 174.956 176.600 0.119 0.000 0.963 211 E CA -1.156 55.264 56.400 0.033 0.000 0.837 211 E CB 2.421 32.137 29.700 0.026 0.000 1.183 211 E HN 0.526 nan 8.360 nan 0.000 0.403 212 V N 2.634 122.582 119.914 0.056 0.000 2.531 212 V HA 0.415 4.535 4.120 -0.000 0.000 0.301 212 V C -0.411 175.697 176.094 0.024 0.000 1.034 212 V CA -0.652 61.686 62.300 0.064 0.000 0.865 212 V CB 1.266 33.135 31.823 0.077 0.000 0.995 212 V HN 0.633 nan 8.190 nan 0.000 0.424 213 I N 4.773 125.351 120.570 0.014 0.000 2.509 213 I HA 0.611 4.781 4.170 -0.000 0.000 0.293 213 I C -0.541 175.577 176.117 0.001 0.000 1.020 213 I CA -1.118 60.186 61.300 0.006 0.000 1.088 213 I CB 2.317 40.319 38.000 0.003 0.000 1.267 213 I HN 0.473 nan 8.210 nan 0.000 0.430 214 V N 1.490 121.405 119.914 0.003 0.000 2.320 214 V HA 0.480 4.600 4.120 -0.000 0.000 0.268 214 V C -0.528 175.573 176.094 0.013 0.000 1.021 214 V CA -0.536 61.766 62.300 0.002 0.000 0.813 214 V CB 0.560 32.378 31.823 -0.008 0.000 1.054 214 V HN 0.729 nan 8.190 nan 0.000 0.444 215 E N 5.465 125.672 120.200 0.011 0.000 2.092 215 E HA 0.451 4.801 4.350 -0.000 0.000 0.271 215 E C -2.685 173.924 176.600 0.014 0.000 0.919 215 E CA -1.906 54.502 56.400 0.013 0.000 0.760 215 E CB 2.160 31.864 29.700 0.007 0.000 1.106 215 E HN 0.496 nan 8.360 nan 0.000 0.408 216 P HA -0.058 nan 4.420 nan 0.000 0.272 216 P C 1.022 178.310 177.300 -0.020 0.000 1.230 216 P CA -0.083 63.025 63.100 0.013 0.000 0.788 216 P CB 0.604 32.315 31.700 0.018 0.000 0.949 217 T N -2.043 112.492 114.554 -0.032 0.000 2.803 217 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 217 T C 0.534 175.171 174.700 -0.105 0.000 1.052 217 T CA 1.293 63.360 62.100 -0.054 0.000 1.136 217 T CB -0.335 68.503 68.868 -0.051 0.000 0.864 217 T HN 0.332 nan 8.240 nan 0.000 0.467 218 E N 0.448 120.543 120.200 -0.175 0.000 2.277 218 E HA 0.401 4.751 4.350 -0.000 0.000 0.266 218 E C -0.319 176.133 176.600 -0.247 0.000 0.901 218 E CA -0.672 55.523 56.400 -0.342 0.000 0.782 218 E CB 1.940 31.178 29.700 -0.770 0.000 1.228 218 E HN 0.267 nan 8.360 nan 0.000 0.424 219 K N 1.429 121.751 120.400 -0.130 0.000 2.589 219 K HA 0.133 4.453 4.320 -0.000 0.000 0.204 219 K C -0.145 176.604 176.600 0.247 0.000 1.029 219 K CA 0.282 56.621 56.287 0.087 0.000 1.177 219 K CB -0.411 32.185 32.500 0.160 0.000 0.902 219 K HN 0.296 nan 8.250 nan 0.000 0.501 220 F N -3.273 116.712 119.950 0.058 0.000 3.732 220 F HA 0.419 4.946 4.527 -0.000 0.000 0.330 220 F C -1.820 174.085 175.800 0.176 0.000 1.111 220 F CA -1.773 56.280 58.000 0.088 0.000 0.854 220 F CB 0.857 39.883 39.000 0.043 0.000 1.653 220 F HN -0.181 nan 8.300 nan 0.000 0.508 221 Y N 0.828 121.313 120.300 0.309 0.000 2.390 221 Y HA 0.474 5.024 4.550 -0.000 0.000 0.324 221 Y C -2.059 174.023 175.900 0.302 0.000 1.151 221 Y CA -1.479 56.711 58.100 0.150 0.000 1.053 221 Y CB 1.169 39.648 38.460 0.032 0.000 1.277 221 Y HN 0.774 nan 8.280 nan 0.000 0.432 222 Y N 7.097 127.101 120.300 -0.492 0.000 2.359 222 Y HA 0.311 4.861 4.550 -0.000 0.000 0.334 222 Y C 0.575 176.004 175.900 -0.785 0.000 1.058 222 Y CA -0.331 57.538 58.100 -0.385 0.000 1.244 222 Y CB 0.787 39.158 38.460 -0.148 0.000 1.187 222 Y HN 0.735 nan 8.280 nan 0.000 0.510 223 I N 4.652 124.663 120.570 -0.932 0.000 2.163 223 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 223 I C 1.144 176.843 176.117 -0.697 0.000 1.085 223 I CA 1.691 62.541 61.300 -0.750 0.000 1.347 223 I CB -0.783 36.681 38.000 -0.895 0.000 1.044 223 I HN 0.655 nan 8.210 nan 0.000 0.408 224 Y N -0.079 119.854 120.300 -0.613 0.000 2.465 224 Y HA 0.144 4.694 4.550 -0.000 0.000 0.311 224 Y C 0.860 176.808 175.900 0.080 0.000 1.204 224 Y CA -0.510 57.496 58.100 -0.157 0.000 1.272 224 Y CB -1.044 37.398 38.460 -0.029 0.000 1.083 224 Y HN 0.072 nan 8.280 nan 0.000 0.508 225 N N 1.953 120.721 118.700 0.114 0.000 2.448 225 N HA -0.017 4.723 4.740 -0.000 0.000 0.250 225 N C 0.672 176.243 175.510 0.102 0.000 1.136 225 N CA 0.261 53.380 53.050 0.116 0.000 0.953 225 N CB 0.333 38.777 38.487 -0.071 0.000 1.251 225 N HN 0.416 nan 8.380 nan 0.000 0.502 226 E N 2.415 122.680 120.200 0.108 0.000 2.153 226 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 226 E C 1.022 177.665 176.600 0.072 0.000 0.988 226 E CA 1.069 57.520 56.400 0.085 0.000 0.811 226 E CB 0.216 29.956 29.700 0.068 0.000 0.746 226 E HN 0.613 nan 8.360 nan 0.000 0.466 227 K N 0.239 120.679 120.400 0.066 0.000 2.103 227 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 227 K C 1.203 177.840 176.600 0.062 0.000 1.048 227 K CA 0.812 57.129 56.287 0.049 0.000 0.930 227 K CB -0.175 32.346 32.500 0.036 0.000 0.716 227 K HN 0.228 nan 8.250 nan 0.000 0.444 228 G N 0.787 109.672 108.800 0.142 0.000 2.512 228 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.210 228 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.210 228 G C -1.648 173.366 174.900 0.191 0.000 1.295 228 G CA -0.474 44.723 45.100 0.162 0.000 0.934 228 G HN 0.124 nan 8.290 nan 0.000 0.554 229 L N 1.518 122.700 121.223 -0.068 0.000 2.301 229 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 229 L C 0.185 177.006 176.870 -0.081 0.000 1.022 229 L CA -0.563 54.221 54.840 -0.094 0.000 0.854 229 L CB 0.724 42.586 42.059 -0.327 0.000 1.226 229 L HN 0.566 nan 8.230 nan 0.000 0.429 230 E N 4.083 124.277 120.200 -0.011 0.000 2.229 230 E HA 0.458 4.808 4.350 -0.000 0.000 0.283 230 E C -1.011 175.611 176.600 0.036 0.000 1.030 230 E CA -0.531 55.874 56.400 0.009 0.000 0.836 230 E CB 1.920 31.622 29.700 0.002 0.000 1.068 230 E HN 0.368 nan 8.360 nan 0.000 0.401 231 V N 3.122 123.083 119.914 0.078 0.000 2.604 231 V HA 0.264 4.384 4.120 -0.000 0.000 0.305 231 V C 0.054 176.174 176.094 0.044 0.000 1.043 231 V CA -0.780 61.569 62.300 0.081 0.000 0.888 231 V CB 2.162 34.075 31.823 0.150 0.000 0.995 231 V HN 0.685 nan 8.190 nan 0.000 0.429 232 T N 5.709 120.275 114.554 0.021 0.000 2.875 232 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 232 T C -0.253 174.445 174.700 -0.004 0.000 0.995 232 T CA -0.240 61.863 62.100 0.004 0.000 1.060 232 T CB 0.815 69.682 68.868 -0.002 0.000 0.967 232 T HN 0.321 nan 8.240 nan 0.000 0.476 233 I N 3.728 124.289 120.570 -0.015 0.000 2.460 233 I HA 0.231 4.401 4.170 -0.000 0.000 0.277 233 I C 0.327 176.424 176.117 -0.033 0.000 1.057 233 I CA -0.445 60.840 61.300 -0.025 0.000 1.179 233 I CB 0.321 38.299 38.000 -0.038 0.000 1.329 233 I HN 0.553 nan 8.210 nan 0.000 0.478 234 T N 5.299 119.838 114.554 -0.026 0.000 2.749 234 T HA 0.699 5.049 4.350 -0.000 0.000 0.287 234 T C 0.184 174.862 174.700 -0.037 0.000 0.970 234 T CA -0.456 61.624 62.100 -0.033 0.000 0.980 234 T CB 1.496 70.350 68.868 -0.022 0.000 0.924 234 T HN 0.655 nan 8.240 nan 0.000 0.456 235 A N 4.619 127.394 122.820 -0.074 0.000 2.357 235 A HA 0.773 5.093 4.320 -0.000 0.000 0.295 235 A C -0.209 177.265 177.584 -0.184 0.000 1.121 235 A CA -1.113 50.866 52.037 -0.098 0.000 0.742 235 A CB 1.019 19.930 19.000 -0.149 0.000 1.181 235 A HN 0.905 nan 8.150 nan 0.000 0.454 236 R N 1.484 121.903 120.500 -0.135 0.000 2.725 236 R HA 0.760 5.099 4.340 -0.000 0.000 0.277 236 R C -1.346 174.859 176.300 -0.158 0.000 0.987 236 R CA -0.715 55.281 56.100 -0.172 0.000 0.901 236 R CB 0.873 31.134 30.300 -0.067 0.000 1.207 236 R HN 0.313 nan 8.270 nan 0.000 0.463 237 F N 1.317 121.158 119.950 -0.182 0.000 2.587 237 F HA 0.017 4.544 4.527 -0.000 0.000 0.327 237 F C 1.870 177.496 175.800 -0.290 0.000 1.232 237 F CA -0.020 57.800 58.000 -0.301 0.000 1.353 237 F CB 0.354 38.808 39.000 -0.910 0.000 1.156 237 F HN 0.432 nan 8.300 nan 0.000 0.599 238 L N 0.617 121.856 121.223 0.026 0.000 2.362 238 L HA -0.208 4.132 4.340 -0.000 0.000 0.219 238 L C 1.175 178.118 176.870 0.122 0.000 1.134 238 L CA 0.890 55.789 54.840 0.099 0.000 0.807 238 L CB -0.626 41.549 42.059 0.193 0.000 0.927 238 L HN 0.692 nan 8.230 nan 0.000 0.447 239 Y N -2.334 118.070 120.300 0.173 0.000 2.532 239 Y HA 0.585 5.135 4.550 -0.000 0.000 0.283 239 Y C 1.455 177.417 175.900 0.104 0.000 1.181 239 Y CA -0.155 58.009 58.100 0.107 0.000 1.256 239 Y CB -0.365 38.133 38.460 0.064 0.000 1.112 239 Y HN 0.052 nan 8.280 nan 0.000 0.521 240 G N -0.112 108.694 108.800 0.011 0.000 2.345 240 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 240 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 240 G C 0.447 175.362 174.900 0.026 0.000 1.058 240 G CA -0.280 44.842 45.100 0.037 0.000 0.632 240 G HN 0.154 nan 8.290 nan 0.000 0.508 241 K N 1.636 122.054 120.400 0.031 0.000 2.455 241 K HA 0.260 4.580 4.320 -0.000 0.000 0.269 241 K C 0.669 177.350 176.600 0.135 0.000 0.972 241 K CA 0.416 56.768 56.287 0.107 0.000 0.938 241 K CB 0.324 32.924 32.500 0.166 0.000 0.931 241 K HN 0.544 nan 8.250 nan 0.000 0.507 242 K N 0.700 121.170 120.400 0.118 0.000 2.118 242 K HA 0.278 4.598 4.320 -0.000 0.000 0.267 242 K C -0.251 176.356 176.600 0.012 0.000 0.991 242 K CA -0.747 55.557 56.287 0.028 0.000 0.916 242 K CB 1.231 33.737 32.500 0.009 0.000 1.041 242 K HN 0.137 nan 8.250 nan 0.000 0.455 243 V N 2.902 122.682 119.914 -0.223 0.000 2.546 243 V HA 0.074 4.194 4.120 -0.000 0.000 0.284 243 V C 0.053 176.021 176.094 -0.209 0.000 1.050 243 V CA -0.292 61.752 62.300 -0.427 0.000 0.981 243 V CB 1.187 32.500 31.823 -0.850 0.000 0.990 243 V HN 0.658 nan 8.190 nan 0.000 0.474 244 E N 3.561 123.695 120.200 -0.109 0.000 2.114 244 E HA 0.671 5.021 4.350 -0.000 0.000 0.266 244 E C 0.194 176.730 176.600 -0.106 0.000 0.896 244 E CA -0.004 56.418 56.400 0.036 0.000 0.750 244 E CB 1.895 31.714 29.700 0.198 0.000 1.121 244 E HN 0.924 nan 8.360 nan 0.000 0.413 245 G N 1.585 110.205 108.800 -0.300 0.000 2.428 245 G HA2 0.316 4.276 3.960 -0.000 0.000 0.305 245 G HA3 0.316 4.276 3.960 -0.000 0.000 0.305 245 G C -0.907 173.741 174.900 -0.420 0.000 1.260 245 G CA -0.505 44.156 45.100 -0.733 0.000 0.853 245 G HN 0.257 nan 8.290 nan 0.000 0.480 246 T N -0.063 114.287 114.554 -0.341 0.000 2.940 246 T HA 0.790 5.140 4.350 -0.000 0.000 0.288 246 T C -0.199 174.367 174.700 -0.222 0.000 1.033 246 T CA 0.265 62.213 62.100 -0.253 0.000 1.033 246 T CB 1.684 70.403 68.868 -0.248 0.000 1.079 246 T HN 1.528 nan 8.240 nan 0.000 0.496 247 A N 1.502 124.127 122.820 -0.324 0.000 2.393 247 A HA 0.773 5.093 4.320 -0.000 0.000 0.306 247 A C -1.501 175.853 177.584 -0.383 0.000 1.050 247 A CA -0.723 51.187 52.037 -0.212 0.000 0.724 247 A CB 0.723 19.649 19.000 -0.124 0.000 1.248 247 A HN 0.689 nan 8.150 nan 0.000 0.424 248 F N 2.110 122.034 119.950 -0.044 0.000 2.347 248 F HA 0.511 5.038 4.527 -0.000 0.000 0.366 248 F C 0.237 175.990 175.800 -0.078 0.000 1.107 248 F CA -0.658 57.314 58.000 -0.047 0.000 1.058 248 F CB 1.942 40.921 39.000 -0.034 0.000 1.236 248 F HN 0.387 nan 8.300 nan 0.000 0.456 249 V N 6.228 126.146 119.914 0.007 0.000 2.513 249 V HA 0.705 4.825 4.120 -0.000 0.000 0.299 249 V C -1.007 174.970 176.094 -0.194 0.000 1.035 249 V CA -0.632 61.589 62.300 -0.133 0.000 0.889 249 V CB 1.742 33.444 31.823 -0.201 0.000 0.988 249 V HN 0.747 nan 8.190 nan 0.000 0.440 250 I N 5.068 125.438 120.570 -0.333 0.000 2.969 250 I HA 0.638 4.808 4.170 -0.000 0.000 0.307 250 I C -1.529 174.245 176.117 -0.571 0.000 1.149 250 I CA -0.755 60.372 61.300 -0.288 0.000 1.008 250 I CB 2.408 40.356 38.000 -0.088 0.000 1.232 250 I HN 0.680 nan 8.210 nan 0.000 0.435 251 F N 2.417 122.267 119.950 -0.168 0.000 2.639 251 F HA 0.919 5.446 4.527 -0.000 0.000 0.339 251 F C 0.592 176.095 175.800 -0.494 0.000 1.071 251 F CA -0.469 57.337 58.000 -0.323 0.000 0.994 251 F CB 2.007 40.855 39.000 -0.253 0.000 1.341 251 F HN 0.454 nan 8.300 nan 0.000 0.498 252 G N 0.092 108.538 108.800 -0.590 0.000 2.523 252 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 252 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 252 G C -2.131 172.516 174.900 -0.421 0.000 1.450 252 G CA -0.777 43.930 45.100 -0.656 0.000 0.790 252 G HN 0.529 nan 8.290 nan 0.000 0.496 253 I N 0.215 120.779 120.570 -0.011 0.000 2.530 253 I HA 0.523 4.693 4.170 -0.000 0.000 0.297 253 I C -0.229 176.036 176.117 0.246 0.000 1.011 253 I CA -0.739 60.622 61.300 0.103 0.000 1.107 253 I CB 2.292 40.312 38.000 0.033 0.000 1.285 253 I HN 0.491 nan 8.210 nan 0.000 0.436 254 Q N 5.663 125.590 119.800 0.211 0.000 2.337 254 Q HA 0.369 4.709 4.340 -0.000 0.000 0.270 254 Q C -1.741 174.309 176.000 0.083 0.000 1.043 254 Q CA -0.506 55.386 55.803 0.148 0.000 0.794 254 Q CB 2.209 31.026 28.738 0.133 0.000 1.281 254 Q HN 0.691 nan 8.270 nan 0.000 0.446 255 D N 2.827 123.261 120.400 0.055 0.000 2.229 255 D HA 0.165 4.805 4.640 -0.000 0.000 0.209 255 D C -0.793 175.523 176.300 0.027 0.000 1.295 255 D CA 0.147 54.170 54.000 0.039 0.000 0.913 255 D CB 0.714 41.536 40.800 0.038 0.000 1.581 255 D HN 0.730 nan 8.370 nan 0.000 0.502 256 G N 2.149 110.961 108.800 0.020 0.000 2.764 256 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 256 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 256 G C 0.581 175.486 174.900 0.008 0.000 1.304 256 G CA 0.030 45.141 45.100 0.019 0.000 0.847 256 G HN 0.304 nan 8.290 nan 0.000 0.610 257 E N 0.862 121.063 120.200 0.002 0.000 2.330 257 E HA 0.279 4.629 4.350 -0.000 0.000 0.210 257 E C 0.111 176.704 176.600 -0.011 0.000 1.256 257 E CA 0.060 56.455 56.400 -0.009 0.000 1.346 257 E CB 0.132 29.827 29.700 -0.008 0.000 1.308 257 E HN 0.455 nan 8.360 nan 0.000 0.441 258 Q N 0.246 120.043 119.800 -0.006 0.000 2.281 258 Q HA 0.331 4.671 4.340 -0.000 0.000 0.263 258 Q C -1.113 174.895 176.000 0.012 0.000 0.989 258 Q CA -0.694 55.108 55.803 -0.001 0.000 0.852 258 Q CB 1.171 29.913 28.738 0.008 0.000 1.337 258 Q HN 0.084 nan 8.270 nan 0.000 0.418 259 R N 2.769 123.274 120.500 0.008 0.000 2.668 259 R HA 0.615 4.955 4.340 -0.000 0.000 0.279 259 R C -0.514 175.846 176.300 0.099 0.000 0.976 259 R CA -0.852 55.282 56.100 0.057 0.000 0.978 259 R CB 1.332 31.610 30.300 -0.036 0.000 1.133 259 R HN 0.492 nan 8.270 nan 0.000 0.484 260 I N 1.594 122.260 120.570 0.161 0.000 2.466 260 I HA 0.124 4.294 4.170 -0.000 0.000 0.279 260 I C 0.314 176.511 176.117 0.134 0.000 1.033 260 I CA -0.349 61.021 61.300 0.115 0.000 1.123 260 I CB 1.209 39.252 38.000 0.070 0.000 1.237 260 I HN 0.548 nan 8.210 nan 0.000 0.460 261 S N 6.615 122.393 115.700 0.130 0.000 2.579 261 S HA 0.473 4.943 4.470 -0.000 0.000 0.275 261 S C -0.035 174.587 174.600 0.036 0.000 1.345 261 S CA -0.153 58.110 58.200 0.104 0.000 1.031 261 S CB 0.464 63.726 63.200 0.104 0.000 0.892 261 S HN 0.467 nan 8.310 nan 0.000 0.529 262 L N 5.704 126.930 121.223 0.005 0.000 2.387 262 L HA 0.321 4.661 4.340 -0.000 0.000 0.259 262 L C -1.909 174.973 176.870 0.019 0.000 1.050 262 L CA -1.735 53.106 54.840 0.003 0.000 0.922 262 L CB 1.281 43.331 42.059 -0.017 0.000 1.280 262 L HN 0.507 nan 8.230 nan 0.000 0.449 263 P HA -0.202 nan 4.420 nan 0.000 0.221 263 P C 1.298 178.615 177.300 0.028 0.000 1.145 263 P CA 1.058 64.173 63.100 0.025 0.000 0.795 263 P CB 0.365 32.078 31.700 0.021 0.000 0.775 264 E N 0.134 120.347 120.200 0.021 0.000 2.274 264 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 264 E C 0.469 177.088 176.600 0.033 0.000 0.996 264 E CA 0.651 57.062 56.400 0.019 0.000 0.840 264 E CB -0.099 29.603 29.700 0.003 0.000 0.772 264 E HN 0.204 nan 8.360 nan 0.000 0.491 265 S N 0.940 116.674 115.700 0.056 0.000 2.945 265 S HA 0.231 4.701 4.470 -0.000 0.000 0.227 265 S C -0.247 174.447 174.600 0.156 0.000 1.353 265 S CA -0.696 57.578 58.200 0.123 0.000 1.236 265 S CB 0.123 63.438 63.200 0.190 0.000 1.069 265 S HN 0.126 nan 8.310 nan 0.000 0.509 266 L N 2.062 123.340 121.223 0.091 0.000 2.282 266 L HA 0.672 5.012 4.340 -0.000 0.000 0.288 266 L C -0.740 176.173 176.870 0.072 0.000 1.033 266 L CA 0.017 54.903 54.840 0.077 0.000 0.807 266 L CB 0.919 43.019 42.059 0.068 0.000 1.209 266 L HN 0.141 nan 8.230 nan 0.000 0.423 267 K N 4.553 124.988 120.400 0.058 0.000 2.435 267 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 267 K C -0.993 175.583 176.600 -0.041 0.000 0.954 267 K CA -0.678 55.623 56.287 0.024 0.000 0.820 267 K CB 2.427 34.952 32.500 0.041 0.000 1.292 267 K HN 0.540 nan 8.250 nan 0.000 0.436 268 R N 2.738 123.177 120.500 -0.103 0.000 2.585 268 R HA 0.294 4.634 4.340 -0.000 0.000 0.278 268 R C -0.239 175.927 176.300 -0.224 0.000 1.663 268 R CA -0.271 55.665 56.100 -0.273 0.000 1.592 268 R CB -0.071 30.058 30.300 -0.285 0.000 1.200 268 R HN 0.718 nan 8.270 nan 0.000 0.611 269 I N -0.092 120.363 120.570 -0.193 0.000 2.440 269 I HA 0.615 4.785 4.170 -0.000 0.000 0.294 269 I C -2.437 173.588 176.117 -0.154 0.000 0.995 269 I CA -2.768 58.453 61.300 -0.132 0.000 1.306 269 I CB 1.210 39.161 38.000 -0.083 0.000 1.407 269 I HN 0.199 nan 8.210 nan 0.000 0.501 270 P HA 0.254 nan 4.420 nan 0.000 0.274 270 P C -0.722 176.532 177.300 -0.077 0.000 1.231 270 P CA -0.210 62.840 63.100 -0.084 0.000 0.790 270 P CB 0.651 32.329 31.700 -0.037 0.000 0.951 271 I N 2.306 122.828 120.570 -0.080 0.000 2.412 271 I HA 0.254 4.424 4.170 -0.000 0.000 0.279 271 I C 0.366 176.458 176.117 -0.041 0.000 1.063 271 I CA -0.280 60.970 61.300 -0.083 0.000 1.193 271 I CB -0.161 37.755 38.000 -0.140 0.000 1.370 271 I HN 0.307 nan 8.210 nan 0.000 0.479 272 E N 3.852 124.038 120.200 -0.023 0.000 2.191 272 E HA 0.191 4.541 4.350 -0.000 0.000 0.278 272 E C -0.150 176.442 176.600 -0.015 0.000 0.972 272 E CA -0.525 55.873 56.400 -0.004 0.000 0.804 272 E CB 1.245 30.945 29.700 -0.001 0.000 1.110 272 E HN 0.359 nan 8.360 nan 0.000 0.394 273 D N 2.277 122.673 120.400 -0.006 0.000 2.723 273 D HA -0.179 4.461 4.640 -0.000 0.000 0.236 273 D C 0.523 176.808 176.300 -0.025 0.000 1.138 273 D CA 1.466 55.462 54.000 -0.007 0.000 0.676 273 D CB -1.253 39.544 40.800 -0.004 0.000 1.069 273 D HN 0.918 nan 8.370 nan 0.000 0.430 274 G N -0.839 107.930 108.800 -0.051 0.000 2.305 274 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.287 274 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.287 274 G C 0.103 174.961 174.900 -0.070 0.000 1.036 274 G CA 1.156 46.205 45.100 -0.086 0.000 0.887 274 G HN 1.250 nan 8.290 nan 0.000 0.505 275 S N -1.602 114.062 115.700 -0.060 0.000 2.537 275 S HA 0.870 5.340 4.470 -0.000 0.000 0.270 275 S C 0.034 174.607 174.600 -0.046 0.000 1.142 275 S CA 0.680 58.852 58.200 -0.046 0.000 0.870 275 S CB 1.724 64.906 63.200 -0.030 0.000 1.112 275 S HN 1.767 nan 8.310 nan 0.000 0.466 276 G N 1.168 109.943 108.800 -0.042 0.000 2.708 276 G HA2 0.673 4.633 3.960 -0.000 0.000 0.289 276 G HA3 0.673 4.633 3.960 -0.000 0.000 0.289 276 G C -1.935 172.949 174.900 -0.026 0.000 1.416 276 G CA -0.524 44.552 45.100 -0.040 0.000 0.829 276 G HN 0.627 nan 8.290 nan 0.000 0.480 277 E N -0.903 119.285 120.200 -0.021 0.000 2.307 277 E HA 0.546 4.896 4.350 -0.000 0.000 0.280 277 E C -1.716 174.887 176.600 0.006 0.000 0.900 277 E CA -0.574 55.823 56.400 -0.005 0.000 0.790 277 E CB 2.137 31.834 29.700 -0.005 0.000 1.261 277 E HN 0.743 nan 8.360 nan 0.000 0.405 278 V N 4.661 124.595 119.914 0.034 0.000 2.876 278 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 278 V C -1.468 174.688 176.094 0.104 0.000 1.085 278 V CA -0.557 61.785 62.300 0.070 0.000 0.945 278 V CB 2.058 33.937 31.823 0.094 0.000 1.017 278 V HN 0.557 nan 8.190 nan 0.000 0.428 279 V N 6.321 126.282 119.914 0.078 0.000 2.735 279 V HA 0.518 4.638 4.120 -0.000 0.000 0.310 279 V C -0.695 175.346 176.094 -0.088 0.000 1.061 279 V CA -0.713 61.590 62.300 0.005 0.000 0.913 279 V CB 1.730 33.544 31.823 -0.016 0.000 1.005 279 V HN 0.793 nan 8.190 nan 0.000 0.428 280 L N 5.065 126.099 121.223 -0.315 0.000 2.272 280 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 280 L C 0.684 177.364 176.870 -0.317 0.000 1.045 280 L CA 0.058 54.570 54.840 -0.546 0.000 0.842 280 L CB 1.023 42.331 42.059 -1.252 0.000 1.224 280 L HN 0.824 nan 8.230 nan 0.000 0.430 281 S N 3.458 119.045 115.700 -0.188 0.000 2.552 281 S HA 0.042 4.512 4.470 -0.000 0.000 0.289 281 S C 1.276 175.803 174.600 -0.122 0.000 1.304 281 S CA -0.068 58.066 58.200 -0.111 0.000 1.063 281 S CB 0.457 63.617 63.200 -0.067 0.000 0.848 281 S HN 0.835 nan 8.310 nan 0.000 0.499 282 R N 1.510 121.973 120.500 -0.061 0.000 2.159 282 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 282 R C 2.011 178.284 176.300 -0.046 0.000 1.131 282 R CA 1.572 57.652 56.100 -0.034 0.000 0.982 282 R CB -0.238 30.094 30.300 0.053 0.000 0.868 282 R HN 0.728 nan 8.270 nan 0.000 0.453 283 K N 0.171 120.548 120.400 -0.039 0.000 2.002 283 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 283 K C 1.723 178.293 176.600 -0.049 0.000 1.048 283 K CA 1.897 58.164 56.287 -0.033 0.000 0.930 283 K CB -0.462 32.024 32.500 -0.023 0.000 0.714 283 K HN 0.056 nan 8.250 nan 0.000 0.438 284 V N 1.240 121.113 119.914 -0.068 0.000 2.490 284 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 284 V C 2.256 178.293 176.094 -0.095 0.000 1.061 284 V CA 1.514 63.770 62.300 -0.073 0.000 1.064 284 V CB -0.560 31.215 31.823 -0.080 0.000 0.670 284 V HN 0.339 nan 8.190 nan 0.000 0.461 285 L N 0.067 121.210 121.223 -0.134 0.000 1.976 285 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 285 L C 2.217 179.029 176.870 -0.097 0.000 1.071 285 L CA 2.025 56.771 54.840 -0.156 0.000 0.746 285 L CB -0.647 41.280 42.059 -0.221 0.000 0.890 285 L HN 0.197 nan 8.230 nan 0.000 0.432 286 L N -0.596 120.585 121.223 -0.071 0.000 2.131 286 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 286 L C 2.153 179.001 176.870 -0.037 0.000 1.092 286 L CA 1.321 56.132 54.840 -0.048 0.000 0.759 286 L CB -0.777 41.262 42.059 -0.034 0.000 0.903 286 L HN 0.347 nan 8.230 nan 0.000 0.435 287 D N 0.106 120.484 120.400 -0.038 0.000 2.312 287 D HA -0.074 4.566 4.640 -0.000 0.000 0.211 287 D C 2.064 178.348 176.300 -0.026 0.000 0.964 287 D CA 0.979 54.963 54.000 -0.027 0.000 0.877 287 D CB 0.148 40.934 40.800 -0.024 0.000 0.924 287 D HN 0.225 nan 8.370 nan 0.000 0.515 288 G N 0.274 109.051 108.800 -0.038 0.000 2.421 288 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 288 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 288 G C 1.353 176.241 174.900 -0.020 0.000 1.171 288 G CA 1.223 46.304 45.100 -0.032 0.000 0.775 288 G HN 0.225 nan 8.290 nan 0.000 0.543 289 V N -1.026 118.874 119.914 -0.023 0.000 4.510 289 V HA 0.211 4.331 4.120 -0.000 0.000 0.153 289 V C 1.483 177.571 176.094 -0.010 0.000 1.194 289 V CA 0.727 63.020 62.300 -0.013 0.000 1.217 289 V CB 0.128 31.942 31.823 -0.015 0.000 1.157 289 V HN 0.272 nan 8.190 nan 0.000 0.363 290 Q N -1.325 118.469 119.800 -0.009 0.000 1.480 290 Q HA 0.108 4.448 4.340 -0.000 0.000 0.150 290 Q C -0.046 175.951 176.000 -0.006 0.000 0.685 290 Q CA -0.210 55.589 55.803 -0.006 0.000 0.680 290 Q CB -0.317 28.419 28.738 -0.003 0.000 1.161 290 Q HN 0.664 nan 8.270 nan 0.000 0.352 291 N N 3.109 121.804 118.700 -0.007 0.000 2.438 291 N HA 0.073 4.813 4.740 -0.000 0.000 0.267 291 N C -1.706 173.799 175.510 -0.008 0.000 1.222 291 N CA -0.906 52.140 53.050 -0.006 0.000 0.930 291 N CB 1.319 39.802 38.487 -0.007 0.000 1.083 291 N HN -0.097 nan 8.380 nan 0.000 0.476 292 P HA -0.148 nan 4.420 nan 0.000 0.216 292 P C -0.127 177.172 177.300 -0.002 0.000 1.157 292 P CA 1.292 64.392 63.100 -0.001 0.000 0.880 292 P CB 0.159 31.861 31.700 0.003 0.000 0.791 293 R N -0.764 119.735 120.500 -0.002 0.000 2.698 293 R HA 0.254 4.594 4.340 -0.000 0.000 0.266 293 R C 1.089 177.374 176.300 -0.025 0.000 1.026 293 R CA 0.427 56.524 56.100 -0.004 0.000 1.102 293 R CB 0.103 30.402 30.300 -0.001 0.000 0.978 293 R HN 0.107 nan 8.270 nan 0.000 0.436 294 A N 2.122 124.916 122.820 -0.045 0.000 2.288 294 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 294 A C 1.116 178.611 177.584 -0.149 0.000 1.199 294 A CA 0.006 51.979 52.037 -0.106 0.000 0.891 294 A CB 0.328 19.233 19.000 -0.159 0.000 0.923 294 A HN 0.694 nan 8.150 nan 0.000 0.500 295 E N 0.708 120.852 120.200 -0.094 0.000 2.435 295 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 295 E C 0.552 177.124 176.600 -0.046 0.000 1.029 295 E CA 0.563 56.916 56.400 -0.078 0.000 0.865 295 E CB 0.000 29.698 29.700 -0.004 0.000 0.833 295 E HN 0.406 nan 8.360 nan 0.000 0.510 296 D N -0.230 120.149 120.400 -0.035 0.000 2.347 296 D HA -0.000 4.640 4.640 -0.000 0.000 0.215 296 D C 1.339 177.626 176.300 -0.021 0.000 0.976 296 D CA 0.414 54.402 54.000 -0.019 0.000 0.884 296 D CB 0.239 41.032 40.800 -0.011 0.000 0.915 296 D HN 0.237 nan 8.370 nan 0.000 0.526 297 L N 0.276 121.477 121.223 -0.038 0.000 2.418 297 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 297 L C 0.510 177.369 176.870 -0.019 0.000 1.125 297 L CA 0.042 54.865 54.840 -0.028 0.000 0.835 297 L CB 0.238 42.273 42.059 -0.039 0.000 0.953 297 L HN -0.211 nan 8.230 nan 0.000 0.454 298 V N 1.232 121.124 119.914 -0.036 0.000 2.493 298 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 298 V C 1.266 177.363 176.094 0.004 0.000 1.016 298 V CA 1.252 63.538 62.300 -0.024 0.000 1.097 298 V CB 0.134 31.934 31.823 -0.037 0.000 0.947 298 V HN 0.639 nan 8.190 nan 0.000 0.479 299 G N 4.351 113.163 108.800 0.021 0.000 2.376 299 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.208 299 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.208 299 G C 0.441 175.365 174.900 0.040 0.000 1.032 299 G CA -0.005 45.113 45.100 0.030 0.000 0.641 299 G HN 0.579 nan 8.290 nan 0.000 0.503 300 K N 1.069 121.491 120.400 0.036 0.000 2.143 300 K HA 0.538 4.858 4.320 -0.000 0.000 0.239 300 K C 0.607 177.244 176.600 0.062 0.000 1.048 300 K CA 0.702 57.016 56.287 0.044 0.000 0.867 300 K CB 0.554 33.073 32.500 0.033 0.000 1.088 300 K HN 0.701 nan 8.250 nan 0.000 0.510 301 S N -0.531 115.213 115.700 0.074 0.000 2.588 301 S HA 0.577 5.047 4.470 -0.000 0.000 0.275 301 S C -0.881 173.780 174.600 0.101 0.000 1.130 301 S CA -1.114 57.142 58.200 0.093 0.000 0.855 301 S CB 0.928 64.191 63.200 0.105 0.000 1.116 301 S HN 0.380 nan 8.310 nan 0.000 0.472 302 L N 1.549 122.826 121.223 0.091 0.000 2.322 302 L HA 0.729 5.069 4.340 -0.000 0.000 0.269 302 L C -1.133 175.839 176.870 0.169 0.000 1.012 302 L CA -1.178 53.700 54.840 0.063 0.000 0.815 302 L CB 1.580 43.615 42.059 -0.041 0.000 1.295 302 L HN 0.942 nan 8.230 nan 0.000 0.438 303 Y N -0.590 119.757 120.300 0.078 0.000 2.492 303 Y HA 0.775 5.325 4.550 -0.000 0.000 0.346 303 Y C -1.178 174.745 175.900 0.039 0.000 0.997 303 Y CA -1.287 56.846 58.100 0.054 0.000 1.025 303 Y CB 1.179 39.654 38.460 0.025 0.000 1.263 303 Y HN 0.136 nan 8.280 nan 0.000 0.454 304 V N 2.596 122.556 119.914 0.077 0.000 2.483 304 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 304 V C -0.396 175.659 176.094 -0.065 0.000 1.035 304 V CA -0.642 61.562 62.300 -0.160 0.000 0.896 304 V CB 1.586 33.311 31.823 -0.165 0.000 0.986 304 V HN 0.854 nan 8.190 nan 0.000 0.447 305 S N 3.344 118.947 115.700 -0.162 0.000 2.667 305 S HA 0.752 5.222 4.470 -0.000 0.000 0.304 305 S C -0.182 174.362 174.600 -0.092 0.000 1.135 305 S CA -0.181 57.987 58.200 -0.054 0.000 1.125 305 S CB 0.563 63.777 63.200 0.023 0.000 0.996 305 S HN 1.097 nan 8.310 nan 0.000 0.474 306 A N 3.423 126.208 122.820 -0.058 0.000 2.282 306 A HA 0.873 5.193 4.320 -0.000 0.000 0.319 306 A C -0.136 177.463 177.584 0.025 0.000 1.121 306 A CA -0.576 51.443 52.037 -0.031 0.000 0.836 306 A CB 1.073 20.052 19.000 -0.035 0.000 1.146 306 A HN 0.663 nan 8.150 nan 0.000 0.494 307 T N 0.964 115.565 114.554 0.079 0.000 3.578 307 T HA 0.390 4.740 4.350 -0.000 0.000 0.329 307 T C -0.926 173.888 174.700 0.190 0.000 0.913 307 T CA -0.316 61.860 62.100 0.127 0.000 1.029 307 T CB 0.764 69.709 68.868 0.129 0.000 1.045 307 T HN 0.512 nan 8.240 nan 0.000 0.460 308 V N 4.783 124.799 119.914 0.171 0.000 2.567 308 V HA 0.612 4.732 4.120 -0.000 0.000 0.289 308 V C -0.037 176.188 176.094 0.218 0.000 1.049 308 V CA -0.678 61.714 62.300 0.153 0.000 0.969 308 V CB 1.464 33.366 31.823 0.133 0.000 0.995 308 V HN 0.766 nan 8.190 nan 0.000 0.471 309 I N 4.723 125.352 120.570 0.099 0.000 2.500 309 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 309 I C -0.295 175.775 176.117 -0.079 0.000 1.063 309 I CA -0.454 60.906 61.300 0.101 0.000 1.062 309 I CB 1.823 39.918 38.000 0.159 0.000 1.223 309 I HN 0.416 nan 8.210 nan 0.000 0.435 310 L N 4.870 126.062 121.223 -0.050 0.000 2.492 310 L HA 0.029 4.369 4.340 -0.000 0.000 0.280 310 L C 1.194 178.002 176.870 -0.103 0.000 1.240 310 L CA 0.163 54.928 54.840 -0.125 0.000 0.831 310 L CB 0.179 42.265 42.059 0.046 0.000 1.100 310 L HN 0.636 nan 8.230 nan 0.000 0.505 311 H N -0.907 118.184 119.070 0.035 0.000 2.546 311 H HA -0.088 4.468 4.556 -0.000 0.000 0.277 311 H C 2.003 177.365 175.328 0.056 0.000 1.004 311 H CA 1.029 57.102 56.048 0.041 0.000 1.231 311 H CB 0.199 29.977 29.762 0.026 0.000 1.382 311 H HN 0.700 nan 8.280 nan 0.000 0.580 312 S N -0.869 114.930 115.700 0.164 0.000 2.528 312 S HA 0.076 4.546 4.470 -0.000 0.000 0.219 312 S C 1.911 176.575 174.600 0.108 0.000 0.985 312 S CA 0.257 58.535 58.200 0.130 0.000 0.914 312 S CB -0.036 63.243 63.200 0.132 0.000 0.776 312 S HN 0.564 nan 8.310 nan 0.000 0.526 313 G N 0.875 109.737 108.800 0.103 0.000 2.249 313 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 313 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 313 G C 0.671 175.626 174.900 0.092 0.000 1.036 313 G CA 0.573 45.727 45.100 0.090 0.000 0.824 313 G HN 0.599 nan 8.290 nan 0.000 0.504 314 S N -1.034 114.736 115.700 0.117 0.000 2.475 314 S HA 0.243 4.713 4.470 -0.000 0.000 0.224 314 S C 0.675 175.349 174.600 0.123 0.000 1.042 314 S CA 0.861 59.129 58.200 0.114 0.000 0.935 314 S CB 0.468 63.745 63.200 0.129 0.000 0.801 314 S HN 0.660 nan 8.310 nan 0.000 0.509 315 D N -0.194 120.308 120.400 0.169 0.000 2.547 315 D HA 0.585 5.225 4.640 -0.000 0.000 0.231 315 D C -1.138 175.263 176.300 0.168 0.000 1.099 315 D CA -0.470 53.623 54.000 0.157 0.000 0.901 315 D CB 1.583 42.509 40.800 0.211 0.000 1.478 315 D HN 0.023 nan 8.370 nan 0.000 0.471 316 M N 2.896 122.531 119.600 0.057 0.000 2.234 316 M HA 0.404 4.884 4.480 -0.000 0.000 0.267 316 M C -2.155 174.108 176.300 -0.062 0.000 1.022 316 M CA -0.554 54.783 55.300 0.062 0.000 0.993 316 M CB 1.368 33.995 32.600 0.044 0.000 1.836 316 M HN 0.130 nan 8.290 nan 0.000 0.479 317 V N 4.426 124.288 119.914 -0.087 0.000 2.581 317 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 317 V C -0.552 175.518 176.094 -0.041 0.000 1.041 317 V CA -0.538 61.653 62.300 -0.182 0.000 0.907 317 V CB 2.036 33.589 31.823 -0.450 0.000 0.994 317 V HN 0.827 nan 8.190 nan 0.000 0.442 318 Q N 2.406 122.175 119.800 -0.052 0.000 2.333 318 Q HA 0.801 5.141 4.340 -0.000 0.000 0.267 318 Q C -0.448 175.538 176.000 -0.023 0.000 1.012 318 Q CA -0.435 55.356 55.803 -0.021 0.000 0.824 318 Q CB 2.456 31.180 28.738 -0.024 0.000 1.290 318 Q HN 0.919 nan 8.270 nan 0.000 0.449 319 A N 2.350 125.165 122.820 -0.007 0.000 2.387 319 A HA 0.838 5.158 4.320 -0.000 0.000 0.298 319 A C -1.192 176.391 177.584 -0.002 0.000 1.165 319 A CA -0.502 51.531 52.037 -0.006 0.000 0.814 319 A CB 2.035 21.035 19.000 0.000 0.000 1.357 319 A HN 0.749 nan 8.150 nan 0.000 0.443 320 E N -0.701 119.502 120.200 0.005 0.000 2.381 320 E HA 0.481 4.831 4.350 -0.000 0.000 0.286 320 E C -1.702 174.918 176.600 0.033 0.000 0.960 320 E CA -0.625 55.788 56.400 0.022 0.000 0.793 320 E CB 1.554 31.268 29.700 0.025 0.000 1.225 320 E HN 0.548 nan 8.360 nan 0.000 0.420 321 R N 2.523 123.055 120.500 0.054 0.000 2.407 321 R HA 0.367 4.707 4.340 -0.000 0.000 0.298 321 R C -1.359 175.009 176.300 0.114 0.000 1.166 321 R CA -0.249 55.891 56.100 0.066 0.000 1.006 321 R CB 0.879 31.211 30.300 0.053 0.000 1.145 321 R HN 0.501 nan 8.270 nan 0.000 0.538 322 S N 1.734 117.497 115.700 0.105 0.000 2.745 322 S HA 0.722 5.192 4.470 -0.000 0.000 0.292 322 S C 0.468 175.134 174.600 0.110 0.000 1.133 322 S CA -0.245 58.038 58.200 0.139 0.000 0.998 322 S CB 1.550 64.784 63.200 0.056 0.000 1.087 322 S HN 1.203 nan 8.310 nan 0.000 0.551 323 G N 0.391 109.264 108.800 0.122 0.000 2.368 323 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.290 323 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.290 323 G C -0.343 174.622 174.900 0.109 0.000 1.098 323 G CA -0.036 45.124 45.100 0.100 0.000 1.073 323 G HN 0.827 nan 8.290 nan 0.000 0.511 324 I N 1.261 121.905 120.570 0.124 0.000 2.307 324 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 324 I C -1.970 174.234 176.117 0.145 0.000 1.054 324 I CA -2.284 59.094 61.300 0.131 0.000 1.218 324 I CB 1.316 39.386 38.000 0.117 0.000 1.398 324 I HN -0.062 nan 8.210 nan 0.000 0.475 325 P HA 0.063 nan 4.420 nan 0.000 0.262 325 P C -0.099 177.322 177.300 0.201 0.000 1.199 325 P CA 0.299 63.489 63.100 0.149 0.000 0.763 325 P CB 0.300 32.076 31.700 0.127 0.000 0.790 326 I N 4.242 124.908 120.570 0.161 0.000 2.261 326 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 326 I C 0.746 176.924 176.117 0.102 0.000 1.113 326 I CA -0.751 60.665 61.300 0.193 0.000 1.377 326 I CB -0.187 37.912 38.000 0.165 0.000 1.530 326 I HN 0.113 nan 8.210 nan 0.000 0.607 327 V N 0.330 120.304 119.914 0.099 0.000 2.997 327 V HA 0.391 4.511 4.120 -0.000 0.000 0.311 327 V C 1.311 177.424 176.094 0.032 0.000 1.066 327 V CA -0.034 62.282 62.300 0.028 0.000 1.039 327 V CB 1.284 33.088 31.823 -0.031 0.000 1.081 327 V HN 0.627 nan 8.190 nan 0.000 0.467 328 T N -1.567 113.007 114.554 0.034 0.000 3.035 328 T HA 0.110 4.460 4.350 -0.000 0.000 0.259 328 T C 0.967 175.813 174.700 0.244 0.000 1.078 328 T CA 0.920 63.091 62.100 0.117 0.000 1.132 328 T CB -0.008 68.926 68.868 0.110 0.000 0.900 328 T HN 0.896 nan 8.240 nan 0.000 0.480 329 S N 1.927 117.678 115.700 0.086 0.000 2.478 329 S HA 0.512 4.982 4.470 -0.000 0.000 0.312 329 S C -2.435 172.071 174.600 -0.155 0.000 1.094 329 S CA -1.713 56.508 58.200 0.036 0.000 1.081 329 S CB 1.627 64.853 63.200 0.044 0.000 1.007 329 S HN -0.022 nan 8.310 nan 0.000 0.475 330 P HA 0.114 nan 4.420 nan 0.000 0.239 330 P C -0.991 175.756 177.300 -0.922 0.000 1.184 330 P CA 0.885 63.485 63.100 -0.833 0.000 0.760 330 P CB -0.161 31.160 31.700 -0.632 0.000 0.884 331 Y N -1.926 118.232 120.300 -0.237 0.000 2.638 331 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 331 Y C 0.458 176.271 175.900 -0.146 0.000 1.084 331 Y CA -0.950 57.046 58.100 -0.174 0.000 1.068 331 Y CB 1.542 39.920 38.460 -0.137 0.000 1.294 331 Y HN -0.341 nan 8.280 nan 0.000 0.480 332 Q N 0.937 120.760 119.800 0.039 0.000 2.495 332 Q HA 0.737 5.077 4.340 -0.000 0.000 0.287 332 Q C -1.721 174.195 176.000 -0.140 0.000 1.078 332 Q CA -0.973 54.791 55.803 -0.067 0.000 0.793 332 Q CB 3.571 32.293 28.738 -0.027 0.000 1.459 332 Q HN 0.520 nan 8.270 nan 0.000 0.422 333 I N 1.159 121.540 120.570 -0.315 0.000 2.499 333 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 333 I C -1.353 174.424 176.117 -0.567 0.000 1.048 333 I CA -0.644 60.441 61.300 -0.358 0.000 1.062 333 I CB 1.667 39.474 38.000 -0.322 0.000 1.238 333 I HN 0.569 nan 8.210 nan 0.000 0.426 334 H N 5.251 124.216 119.070 -0.175 0.000 2.609 334 H HA 0.381 4.937 4.556 -0.000 0.000 0.344 334 H C -0.754 174.482 175.328 -0.153 0.000 1.040 334 H CA -0.405 55.612 56.048 -0.051 0.000 1.216 334 H CB 1.532 31.414 29.762 0.200 0.000 1.529 334 H HN 0.420 nan 8.280 nan 0.000 0.519 335 F N 1.088 121.162 119.950 0.207 0.000 2.798 335 F HA 0.058 4.585 4.527 -0.000 0.000 0.291 335 F C 1.834 177.706 175.800 0.119 0.000 1.174 335 F CA -0.127 57.963 58.000 0.149 0.000 1.392 335 F CB -0.061 39.005 39.000 0.111 0.000 0.966 335 F HN 0.598 nan 8.300 nan 0.000 0.509 336 T N -3.374 111.313 114.554 0.221 0.000 2.995 336 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 336 T C 1.648 176.357 174.700 0.016 0.000 1.091 336 T CA 0.935 63.090 62.100 0.092 0.000 1.128 336 T CB -0.094 68.780 68.868 0.010 0.000 0.891 336 T HN 0.285 nan 8.240 nan 0.000 0.492 337 K N 0.777 121.210 120.400 0.054 0.000 2.361 337 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 337 K C 0.111 176.806 176.600 0.158 0.000 1.032 337 K CA 0.124 56.464 56.287 0.088 0.000 1.048 337 K CB 0.523 33.107 32.500 0.141 0.000 0.842 337 K HN 0.246 nan 8.250 nan 0.000 0.526 338 T N 3.594 118.258 114.554 0.184 0.000 2.806 338 T HA 0.223 4.572 4.350 -0.000 0.000 0.290 338 T C -2.532 172.272 174.700 0.173 0.000 0.966 338 T CA -1.668 60.542 62.100 0.182 0.000 1.060 338 T CB 1.413 70.457 68.868 0.293 0.000 0.927 338 T HN -0.120 nan 8.240 nan 0.000 0.485 339 P HA 0.079 nan 4.420 nan 0.000 0.269 339 P C 0.399 177.863 177.300 0.274 0.000 1.211 339 P CA -0.224 63.000 63.100 0.207 0.000 0.781 339 P CB 0.489 32.314 31.700 0.209 0.000 0.877 340 K N 1.041 121.566 120.400 0.208 0.000 2.514 340 K HA 0.224 4.544 4.320 -0.000 0.000 0.207 340 K C -0.626 175.801 176.600 -0.288 0.000 1.035 340 K CA 0.009 56.280 56.287 -0.026 0.000 1.113 340 K CB 0.055 32.455 32.500 -0.167 0.000 0.846 340 K HN 0.500 nan 8.250 nan 0.000 0.491 341 Y N 0.162 120.634 120.300 0.285 0.000 2.470 341 Y HA 0.363 4.913 4.550 -0.000 0.000 0.341 341 Y C -0.273 175.853 175.900 0.378 0.000 1.021 341 Y CA -1.725 56.522 58.100 0.245 0.000 1.025 341 Y CB 1.451 40.016 38.460 0.175 0.000 1.266 341 Y HN -0.007 nan 8.280 nan 0.000 0.448 342 F N -0.542 119.557 119.950 0.249 0.000 2.611 342 F HA 0.925 5.452 4.527 -0.000 0.000 0.324 342 F C -1.489 174.395 175.800 0.141 0.000 1.061 342 F CA -1.690 56.417 58.000 0.179 0.000 0.954 342 F CB 1.399 40.237 39.000 -0.270 0.000 1.301 342 F HN 0.115 nan 8.300 nan 0.000 0.482 343 K N 2.182 122.671 120.400 0.147 0.000 2.265 343 K HA 0.462 4.782 4.320 -0.000 0.000 0.267 343 K C -2.848 173.649 176.600 -0.171 0.000 0.994 343 K CA -2.090 54.067 56.287 -0.217 0.000 0.860 343 K CB 1.162 33.526 32.500 -0.226 0.000 1.099 343 K HN 0.277 nan 8.250 nan 0.000 0.448 344 P HA -0.021 nan 4.420 nan 0.000 0.260 344 P C 0.744 177.972 177.300 -0.119 0.000 1.185 344 P CA 0.989 64.059 63.100 -0.050 0.000 0.763 344 P CB 0.667 32.334 31.700 -0.054 0.000 0.776 345 G N 2.837 111.624 108.800 -0.021 0.000 2.358 345 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.224 345 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.224 345 G C 0.230 175.084 174.900 -0.076 0.000 1.073 345 G CA -0.184 44.885 45.100 -0.052 0.000 0.635 345 G HN 0.460 nan 8.290 nan 0.000 0.509 346 M N 2.012 121.558 119.600 -0.091 0.000 2.255 346 M HA 0.397 4.877 4.480 -0.000 0.000 0.336 346 M C -2.252 173.979 176.300 -0.115 0.000 1.135 346 M CA -1.545 53.688 55.300 -0.111 0.000 1.145 346 M CB 0.346 32.869 32.600 -0.127 0.000 1.473 346 M HN -0.039 nan 8.290 nan 0.000 0.462 347 P HA 0.002 nan 4.420 nan 0.000 0.266 347 P C -1.302 175.914 177.300 -0.140 0.000 1.195 347 P CA 0.207 63.210 63.100 -0.161 0.000 0.768 347 P CB 0.192 31.769 31.700 -0.205 0.000 0.838 348 F N 3.236 123.107 119.950 -0.131 0.000 2.403 348 F HA 0.310 4.837 4.527 -0.000 0.000 0.355 348 F C -0.389 175.422 175.800 0.018 0.000 1.119 348 F CA -0.811 57.175 58.000 -0.022 0.000 1.007 348 F CB 0.646 39.643 39.000 -0.006 0.000 1.194 348 F HN 0.151 nan 8.300 nan 0.000 0.443 349 D N 5.384 125.526 120.400 -0.429 0.000 2.313 349 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 349 D C -0.879 175.115 176.300 -0.510 0.000 1.094 349 D CA 0.143 53.950 54.000 -0.322 0.000 0.925 349 D CB 1.707 42.426 40.800 -0.134 0.000 1.188 349 D HN 0.346 nan 8.370 nan 0.000 0.430 350 L N 1.395 122.498 121.223 -0.200 0.000 2.385 350 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 350 L C -0.046 176.838 176.870 0.025 0.000 0.990 350 L CA -0.394 54.414 54.840 -0.054 0.000 0.821 350 L CB 1.710 43.845 42.059 0.126 0.000 1.279 350 L HN 0.178 nan 8.230 nan 0.000 0.412 351 M N 3.681 123.328 119.600 0.079 0.000 3.266 351 M HA 0.267 4.747 4.480 -0.000 0.000 0.260 351 M C -0.586 175.793 176.300 0.132 0.000 1.319 351 M CA -0.442 54.912 55.300 0.090 0.000 1.412 351 M CB 0.437 33.095 32.600 0.096 0.000 1.113 351 M HN 0.192 nan 8.290 nan 0.000 0.588 352 V N 2.369 122.339 119.914 0.094 0.000 2.599 352 V HA -0.048 4.072 4.120 -0.000 0.000 0.300 352 V C -0.130 176.035 176.094 0.119 0.000 1.034 352 V CA 0.391 62.701 62.300 0.017 0.000 1.115 352 V CB 0.132 31.938 31.823 -0.029 0.000 0.934 352 V HN 0.483 nan 8.190 nan 0.000 0.485 353 F N 5.796 125.688 119.950 -0.096 0.000 2.451 353 F HA 0.522 5.049 4.527 -0.000 0.000 0.367 353 F C -0.150 175.663 175.800 0.023 0.000 1.100 353 F CA -0.831 57.167 58.000 -0.003 0.000 1.171 353 F CB 1.042 40.073 39.000 0.051 0.000 1.405 353 F HN 0.240 nan 8.300 nan 0.000 0.482 354 V N 4.998 124.764 119.914 -0.246 0.000 2.432 354 V HA 0.418 4.538 4.120 -0.000 0.000 0.271 354 V C 0.400 176.302 176.094 -0.320 0.000 1.046 354 V CA 0.063 62.232 62.300 -0.219 0.000 0.945 354 V CB 0.966 32.708 31.823 -0.134 0.000 0.992 354 V HN 0.800 nan 8.190 nan 0.000 0.471 355 T N 2.021 116.446 114.554 -0.215 0.000 2.883 355 T HA 0.592 4.941 4.350 -0.000 0.000 0.284 355 T C -0.347 174.315 174.700 -0.064 0.000 1.041 355 T CA -1.022 60.960 62.100 -0.197 0.000 1.007 355 T CB 1.766 70.499 68.868 -0.225 0.000 1.220 355 T HN 0.409 nan 8.240 nan 0.000 0.552 356 N N 0.776 119.428 118.700 -0.080 0.000 2.485 356 N HA 0.470 5.210 4.740 -0.000 0.000 0.280 356 N C -2.039 173.413 175.510 -0.097 0.000 1.205 356 N CA -2.310 50.659 53.050 -0.134 0.000 0.959 356 N CB 0.544 38.981 38.487 -0.083 0.000 1.206 356 N HN 0.328 nan 8.380 nan 0.000 0.545 357 P HA -0.134 nan 4.420 nan 0.000 0.218 357 P C 0.371 177.687 177.300 0.027 0.000 1.146 357 P CA 1.240 64.296 63.100 -0.074 0.000 0.813 357 P CB 0.201 31.843 31.700 -0.097 0.000 0.778 358 D N -2.472 117.956 120.400 0.046 0.000 2.301 358 D HA 0.061 4.701 4.640 -0.000 0.000 0.206 358 D C 1.567 177.897 176.300 0.050 0.000 0.979 358 D CA 1.291 55.330 54.000 0.064 0.000 0.874 358 D CB -0.566 40.281 40.800 0.078 0.000 0.968 358 D HN 0.248 nan 8.370 nan 0.000 0.510 359 G N 0.152 108.972 108.800 0.033 0.000 2.367 359 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.181 359 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.181 359 G C 0.257 175.171 174.900 0.023 0.000 1.000 359 G CA 0.179 45.299 45.100 0.033 0.000 0.693 359 G HN 0.695 nan 8.290 nan 0.000 0.480 360 S N 1.464 117.177 115.700 0.022 0.000 2.564 360 S HA 0.593 5.063 4.470 -0.000 0.000 0.278 360 S C -2.147 172.445 174.600 -0.013 0.000 1.333 360 S CA -0.927 57.287 58.200 0.025 0.000 1.048 360 S CB 1.524 64.746 63.200 0.036 0.000 0.900 360 S HN 0.157 nan 8.310 nan 0.000 0.505 361 P HA 0.229 nan 4.420 nan 0.000 0.267 361 P C -0.917 176.390 177.300 0.013 0.000 1.200 361 P CA -0.010 63.059 63.100 -0.051 0.000 0.772 361 P CB 0.272 31.993 31.700 0.036 0.000 0.855 362 A N 3.226 126.053 122.820 0.011 0.000 2.260 362 A HA 0.349 4.669 4.320 -0.000 0.000 0.314 362 A C -1.129 176.535 177.584 0.133 0.000 1.257 362 A CA -0.480 51.631 52.037 0.122 0.000 0.871 362 A CB -0.221 18.918 19.000 0.231 0.000 1.166 362 A HN 0.521 nan 8.150 nan 0.000 0.522 363 Y N 3.117 123.448 120.300 0.051 0.000 2.359 363 Y HA 0.421 4.971 4.550 -0.000 0.000 0.334 363 Y C 0.779 176.693 175.900 0.022 0.000 1.058 363 Y CA 0.230 58.347 58.100 0.028 0.000 1.244 363 Y CB 0.303 38.780 38.460 0.028 0.000 1.187 363 Y HN 0.849 nan 8.280 nan 0.000 0.510 364 R N 3.210 123.373 120.500 -0.561 0.000 2.717 364 R HA -0.085 4.255 4.340 -0.000 0.000 0.298 364 R C -1.890 174.281 176.300 -0.216 0.000 0.971 364 R CA 0.501 56.341 56.100 -0.433 0.000 0.773 364 R CB -1.666 28.362 30.300 -0.455 0.000 2.073 364 R HN 0.417 nan 8.270 nan 0.000 0.494 365 V N 3.526 123.309 119.914 -0.217 0.000 2.445 365 V HA 0.247 4.367 4.120 -0.000 0.000 0.283 365 V C -1.995 173.963 176.094 -0.227 0.000 1.014 365 V CA -1.849 60.292 62.300 -0.264 0.000 0.852 365 V CB 2.115 33.724 31.823 -0.358 0.000 1.021 365 V HN 0.302 nan 8.190 nan 0.000 0.435 366 P HA 0.113 nan 4.420 nan 0.000 0.262 366 P C -0.572 176.641 177.300 -0.145 0.000 1.182 366 P CA 0.471 63.483 63.100 -0.147 0.000 0.761 366 P CB 0.558 32.183 31.700 -0.126 0.000 0.795 367 V N 0.527 120.377 119.914 -0.106 0.000 2.841 367 V HA 0.974 5.094 4.120 -0.000 0.000 0.310 367 V C -0.689 175.377 176.094 -0.046 0.000 1.090 367 V CA -1.121 61.130 62.300 -0.083 0.000 0.930 367 V CB 1.843 33.618 31.823 -0.080 0.000 1.014 367 V HN 0.647 nan 8.190 nan 0.000 0.425 368 A N 2.870 125.673 122.820 -0.027 0.000 2.567 368 A HA 0.966 5.286 4.320 -0.000 0.000 0.289 368 A C -1.083 176.511 177.584 0.016 0.000 1.177 368 A CA -0.656 51.377 52.037 -0.008 0.000 0.694 368 A CB 1.855 20.844 19.000 -0.019 0.000 1.292 368 A HN 1.514 nan 8.150 nan 0.000 0.425 369 V N 1.363 121.290 119.914 0.021 0.000 2.547 369 V HA 0.248 4.368 4.120 -0.000 0.000 0.299 369 V C 1.059 177.161 176.094 0.013 0.000 1.040 369 V CA -0.558 61.761 62.300 0.031 0.000 0.913 369 V CB 1.584 33.428 31.823 0.036 0.000 0.992 369 V HN 0.943 nan 8.190 nan 0.000 0.449 370 Q N 2.518 122.325 119.800 0.013 0.000 2.197 370 Q HA -0.177 4.163 4.340 -0.000 0.000 0.207 370 Q C 2.038 178.036 176.000 -0.004 0.000 0.984 370 Q CA 1.939 57.743 55.803 0.002 0.000 0.869 370 Q CB -0.290 28.447 28.738 -0.000 0.000 0.906 370 Q HN 1.037 nan 8.270 nan 0.000 0.426 371 G N 0.463 109.261 108.800 -0.004 0.000 2.464 371 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 371 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 371 G C 0.420 175.317 174.900 -0.004 0.000 1.218 371 G CA 0.394 45.490 45.100 -0.006 0.000 0.794 371 G HN 0.291 nan 8.290 nan 0.000 0.542 372 E N 0.781 120.979 120.200 -0.003 0.000 2.199 372 E HA 0.384 4.734 4.350 -0.000 0.000 0.269 372 E C -0.913 175.682 176.600 -0.007 0.000 0.899 372 E CA -0.968 55.429 56.400 -0.005 0.000 0.772 372 E CB 1.471 31.167 29.700 -0.006 0.000 1.155 372 E HN 0.326 nan 8.360 nan 0.000 0.408 373 D N 1.850 122.244 120.400 -0.010 0.000 2.466 373 D HA 0.299 4.939 4.640 -0.000 0.000 0.262 373 D C 0.100 176.391 176.300 -0.015 0.000 1.177 373 D CA 0.128 54.120 54.000 -0.013 0.000 1.035 373 D CB 0.543 41.335 40.800 -0.014 0.000 1.105 373 D HN 0.543 nan 8.370 nan 0.000 0.551 374 T N -1.759 112.784 114.554 -0.019 0.000 11.175 374 T HA -0.188 4.162 4.350 -0.000 0.000 0.406 374 T C 0.766 175.453 174.700 -0.022 0.000 1.540 374 T CA 1.452 63.540 62.100 -0.020 0.000 2.506 374 T CB -1.469 67.389 68.868 -0.018 0.000 2.817 374 T HN 0.461 nan 8.240 nan 0.000 0.982 375 V N 3.733 123.636 119.914 -0.018 0.000 2.266 375 V HA 0.217 4.337 4.120 -0.000 0.000 0.240 375 V C 0.596 176.678 176.094 -0.020 0.000 1.225 375 V CA 0.757 63.047 62.300 -0.018 0.000 1.237 375 V CB -0.340 31.475 31.823 -0.012 0.000 1.343 375 V HN 0.447 nan 8.190 nan 0.000 0.496 376 Q N 2.140 121.923 119.800 -0.027 0.000 2.495 376 Q HA 0.853 5.193 4.340 -0.000 0.000 0.283 376 Q C -0.495 175.481 176.000 -0.041 0.000 1.097 376 Q CA -0.807 54.975 55.803 -0.036 0.000 0.836 376 Q CB 2.564 31.276 28.738 -0.044 0.000 1.426 376 Q HN 0.671 nan 8.270 nan 0.000 0.459 377 S N -0.010 115.659 115.700 -0.053 0.000 2.584 377 S HA 0.341 4.811 4.470 -0.000 0.000 0.282 377 S C -1.336 173.214 174.600 -0.082 0.000 1.138 377 S CA -0.811 57.353 58.200 -0.060 0.000 0.987 377 S CB 0.313 63.485 63.200 -0.047 0.000 1.137 377 S HN 0.354 nan 8.310 nan 0.000 0.457 378 L N 3.166 124.330 121.223 -0.099 0.000 2.462 378 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 378 L C 1.095 177.875 176.870 -0.151 0.000 1.166 378 L CA 0.774 55.532 54.840 -0.138 0.000 0.880 378 L CB -0.021 41.945 42.059 -0.155 0.000 1.142 378 L HN 0.794 nan 8.230 nan 0.000 0.473 379 T N 3.519 117.975 114.554 -0.164 0.000 2.934 379 T HA 0.060 4.410 4.350 -0.000 0.000 0.306 379 T C 0.502 175.089 174.700 -0.188 0.000 1.042 379 T CA -0.190 61.825 62.100 -0.141 0.000 1.145 379 T CB 0.225 69.016 68.868 -0.128 0.000 0.982 379 T HN 0.532 nan 8.240 nan 0.000 0.544 380 Q N 1.147 120.887 119.800 -0.099 0.000 2.247 380 Q HA 0.362 4.702 4.340 -0.000 0.000 0.184 380 Q C 2.022 178.054 176.000 0.053 0.000 1.067 380 Q CA -0.424 55.342 55.803 -0.061 0.000 1.115 380 Q CB 0.136 28.875 28.738 0.001 0.000 1.147 380 Q HN 0.828 nan 8.270 nan 0.000 0.599 381 G N 0.810 109.743 108.800 0.222 0.000 2.422 381 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 381 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 381 G C 0.824 175.840 174.900 0.193 0.000 1.140 381 G CA 1.072 46.389 45.100 0.362 0.000 0.775 381 G HN 0.792 nan 8.290 nan 0.000 0.545 382 D N -0.001 120.482 120.400 0.137 0.000 2.348 382 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 382 D C 1.690 178.097 176.300 0.177 0.000 0.970 382 D CA 0.877 54.961 54.000 0.141 0.000 0.889 382 D CB -0.695 40.174 40.800 0.115 0.000 0.912 382 D HN 0.583 nan 8.370 nan 0.000 0.524 383 G N -0.633 108.236 108.800 0.115 0.000 2.142 383 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.225 383 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.225 383 G C -0.180 174.773 174.900 0.088 0.000 1.015 383 G CA 0.124 45.236 45.100 0.020 0.000 0.716 383 G HN 0.400 nan 8.290 nan 0.000 0.508 384 V N 0.083 120.077 119.914 0.134 0.000 2.540 384 V HA 0.882 5.002 4.120 -0.000 0.000 0.302 384 V C 0.525 176.647 176.094 0.047 0.000 1.035 384 V CA -0.236 62.157 62.300 0.155 0.000 0.873 384 V CB 1.661 33.580 31.823 0.159 0.000 0.992 384 V HN 1.177 nan 8.190 nan 0.000 0.428 385 A N 3.814 126.653 122.820 0.032 0.000 2.299 385 A HA 0.941 5.261 4.320 -0.000 0.000 0.332 385 A C -0.572 177.010 177.584 -0.003 0.000 1.131 385 A CA -0.768 51.264 52.037 -0.009 0.000 0.844 385 A CB 1.577 20.558 19.000 -0.031 0.000 1.251 385 A HN 0.677 nan 8.150 nan 0.000 0.486 386 K N 1.337 121.725 120.400 -0.020 0.000 2.521 386 K HA 0.632 4.952 4.320 -0.000 0.000 0.248 386 K C -1.564 175.024 176.600 -0.019 0.000 0.978 386 K CA 0.044 56.317 56.287 -0.023 0.000 0.947 386 K CB 0.016 32.494 32.500 -0.036 0.000 1.165 386 K HN 0.605 nan 8.250 nan 0.000 0.445 387 L N 2.024 123.243 121.223 -0.007 0.000 2.313 387 L HA 0.673 5.013 4.340 -0.000 0.000 0.268 387 L C -0.570 176.291 176.870 -0.014 0.000 1.010 387 L CA -1.061 53.779 54.840 0.001 0.000 0.814 387 L CB 2.220 44.302 42.059 0.038 0.000 1.304 387 L HN 0.843 nan 8.230 nan 0.000 0.441 388 S N 1.341 117.038 115.700 -0.006 0.000 2.545 388 S HA 0.508 4.978 4.470 -0.000 0.000 0.259 388 S C -0.911 173.693 174.600 0.007 0.000 1.092 388 S CA -0.845 57.347 58.200 -0.013 0.000 1.054 388 S CB 0.623 63.803 63.200 -0.034 0.000 1.146 388 S HN 0.566 nan 8.310 nan 0.000 0.447 389 I N 0.238 120.836 120.570 0.046 0.000 2.607 389 I HA 0.697 4.867 4.170 -0.000 0.000 0.305 389 I C -0.227 175.896 176.117 0.009 0.000 0.995 389 I CA -0.894 60.425 61.300 0.031 0.000 1.148 389 I CB 1.435 39.462 38.000 0.046 0.000 1.323 389 I HN 0.534 nan 8.210 nan 0.000 0.461 390 N N 2.672 121.347 118.700 -0.042 0.000 2.514 390 N HA 0.352 5.092 4.740 -0.000 0.000 0.277 390 N C -0.893 174.535 175.510 -0.137 0.000 1.126 390 N CA 0.035 53.028 53.050 -0.095 0.000 0.978 390 N CB 1.163 39.572 38.487 -0.130 0.000 1.106 390 N HN 0.761 nan 8.380 nan 0.000 0.461 391 T N 2.674 117.140 114.554 -0.146 0.000 2.918 391 T HA 0.323 4.673 4.350 -0.000 0.000 0.286 391 T C -0.459 174.126 174.700 -0.191 0.000 1.026 391 T CA -0.568 61.447 62.100 -0.143 0.000 1.031 391 T CB 0.684 69.517 68.868 -0.059 0.000 1.046 391 T HN 0.395 nan 8.240 nan 0.000 0.479 392 H N 1.817 120.865 119.070 -0.036 0.000 2.483 392 H HA 0.205 4.761 4.556 -0.000 0.000 0.338 392 H C -1.737 173.614 175.328 0.038 0.000 1.152 392 H CA -2.099 53.947 56.048 -0.003 0.000 1.264 392 H CB 1.481 31.234 29.762 -0.014 0.000 1.510 392 H HN 0.327 nan 8.280 nan 0.000 0.530 393 P HA -0.117 nan 4.420 nan 0.000 0.236 393 P C 0.291 177.673 177.300 0.136 0.000 1.172 393 P CA 0.551 63.722 63.100 0.118 0.000 0.759 393 P CB 0.027 31.790 31.700 0.105 0.000 0.843 394 S N -0.318 115.473 115.700 0.152 0.000 2.568 394 S HA 0.031 4.501 4.470 -0.000 0.000 0.282 394 S C 0.976 175.673 174.600 0.162 0.000 1.338 394 S CA -0.330 57.944 58.200 0.123 0.000 1.045 394 S CB 0.528 63.776 63.200 0.081 0.000 0.873 394 S HN 0.037 nan 8.310 nan 0.000 0.516 395 Q N 0.011 119.886 119.800 0.126 0.000 2.322 395 Q HA 0.212 4.552 4.340 -0.000 0.000 0.203 395 Q C -0.193 175.897 176.000 0.149 0.000 0.923 395 Q CA 0.137 56.017 55.803 0.127 0.000 0.949 395 Q CB -0.215 28.573 28.738 0.083 0.000 1.039 395 Q HN 0.638 nan 8.270 nan 0.000 0.496 396 K N 2.334 122.823 120.400 0.148 0.000 2.322 396 K HA 0.189 4.509 4.320 -0.000 0.000 0.283 396 K C -2.459 174.240 176.600 0.165 0.000 1.042 396 K CA -1.968 54.384 56.287 0.108 0.000 0.958 396 K CB 0.455 32.978 32.500 0.039 0.000 0.984 396 K HN -0.154 nan 8.250 nan 0.000 0.473 397 P HA -0.107 nan 4.420 nan 0.000 0.263 397 P C -0.809 176.450 177.300 -0.069 0.000 1.175 397 P CA 0.191 63.362 63.100 0.118 0.000 0.761 397 P CB 0.383 32.107 31.700 0.040 0.000 0.794 398 L N 2.515 123.585 121.223 -0.255 0.000 2.289 398 L HA 0.412 4.752 4.340 -0.000 0.000 0.285 398 L C 0.151 176.802 176.870 -0.365 0.000 1.049 398 L CA -0.185 54.320 54.840 -0.559 0.000 0.804 398 L CB 0.972 42.264 42.059 -1.277 0.000 1.195 398 L HN 0.314 nan 8.230 nan 0.000 0.428 399 S N 4.865 120.392 115.700 -0.288 0.000 2.552 399 S HA 0.708 5.178 4.470 -0.000 0.000 0.314 399 S C -0.773 173.703 174.600 -0.206 0.000 1.099 399 S CA -0.574 57.495 58.200 -0.218 0.000 1.070 399 S CB 0.792 63.906 63.200 -0.145 0.000 0.998 399 S HN 0.404 nan 8.310 nan 0.000 0.474 400 I N 3.450 123.885 120.570 -0.225 0.000 2.569 400 I HA 0.461 4.631 4.170 -0.000 0.000 0.296 400 I C -0.134 175.905 176.117 -0.131 0.000 1.028 400 I CA -0.298 60.898 61.300 -0.173 0.000 1.082 400 I CB 2.390 40.284 38.000 -0.177 0.000 1.264 400 I HN 0.457 nan 8.210 nan 0.000 0.429 401 T N 4.567 119.107 114.554 -0.024 0.000 2.963 401 T HA 0.485 4.835 4.350 -0.000 0.000 0.328 401 T C -0.495 174.273 174.700 0.113 0.000 1.048 401 T CA -0.438 61.693 62.100 0.052 0.000 1.033 401 T CB 0.923 69.804 68.868 0.022 0.000 1.010 401 T HN 0.211 nan 8.240 nan 0.000 0.469 402 V N 4.786 124.845 119.914 0.242 0.000 2.481 402 V HA 0.571 4.691 4.120 -0.000 0.000 0.286 402 V C 0.451 176.597 176.094 0.086 0.000 1.042 402 V CA -0.693 61.717 62.300 0.183 0.000 0.928 402 V CB 1.461 33.444 31.823 0.267 0.000 0.986 402 V HN 0.700 nan 8.190 nan 0.000 0.462 403 R N 1.704 122.220 120.500 0.028 0.000 3.029 403 R HA 0.726 5.066 4.340 -0.000 0.000 0.239 403 R C -0.584 175.685 176.300 -0.051 0.000 1.351 403 R CA -0.768 55.326 56.100 -0.011 0.000 1.052 403 R CB 1.778 32.074 30.300 -0.007 0.000 1.354 403 R HN 0.741 nan 8.270 nan 0.000 0.499 404 T N -0.380 114.130 114.554 -0.074 0.000 2.788 404 T HA 0.313 4.663 4.350 -0.000 0.000 0.296 404 T C 0.113 174.746 174.700 -0.110 0.000 1.009 404 T CA -1.003 61.020 62.100 -0.128 0.000 0.949 404 T CB 1.093 69.844 68.868 -0.194 0.000 0.946 404 T HN 0.212 nan 8.240 nan 0.000 0.453 405 K N 1.989 122.325 120.400 -0.106 0.000 2.790 405 K HA 0.140 4.460 4.320 -0.000 0.000 0.229 405 K C 0.435 176.975 176.600 -0.100 0.000 1.040 405 K CA -0.290 55.947 56.287 -0.084 0.000 1.211 405 K CB -0.002 32.457 32.500 -0.067 0.000 1.002 405 K HN 0.422 nan 8.250 nan 0.000 0.479 406 K N 2.250 122.567 120.400 -0.138 0.000 2.419 406 K HA 0.014 4.334 4.320 -0.000 0.000 0.282 406 K C 0.574 177.128 176.600 -0.076 0.000 1.056 406 K CA 0.405 56.606 56.287 -0.142 0.000 1.035 406 K CB 0.263 32.628 32.500 -0.226 0.000 0.921 406 K HN 0.320 nan 8.250 nan 0.000 0.472 407 Q N 1.590 121.354 119.800 -0.059 0.000 2.722 407 Q HA -0.047 4.293 4.340 -0.000 0.000 0.214 407 Q C 0.161 176.146 176.000 -0.025 0.000 1.109 407 Q CA 0.217 55.998 55.803 -0.038 0.000 1.066 407 Q CB 0.311 29.029 28.738 -0.033 0.000 1.290 407 Q HN 0.493 nan 8.270 nan 0.000 0.620 408 E N -1.488 118.700 120.200 -0.021 0.000 3.170 408 E HA -0.243 4.107 4.350 -0.000 0.000 0.284 408 E C -1.074 175.512 176.600 -0.024 0.000 0.967 408 E CA 0.172 56.561 56.400 -0.017 0.000 0.919 408 E CB -1.048 28.650 29.700 -0.005 0.000 1.469 408 E HN 0.198 nan 8.360 nan 0.000 0.444 409 L N 0.149 121.355 121.223 -0.028 0.000 2.526 409 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 409 L C -0.051 176.799 176.870 -0.033 0.000 0.943 409 L CA -0.147 54.672 54.840 -0.035 0.000 0.859 409 L CB 1.920 43.973 42.059 -0.010 0.000 1.313 409 L HN 0.120 nan 8.230 nan 0.000 0.406 410 S N 2.388 118.065 115.700 -0.039 0.000 2.589 410 S HA 0.225 4.695 4.470 -0.000 0.000 0.265 410 S C 0.746 175.337 174.600 -0.015 0.000 1.342 410 S CA -0.327 57.857 58.200 -0.028 0.000 1.005 410 S CB 0.730 63.912 63.200 -0.031 0.000 0.909 410 S HN 0.676 nan 8.310 nan 0.000 0.555 411 E N 0.965 121.157 120.200 -0.014 0.000 2.268 411 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 411 E C 2.057 178.660 176.600 0.006 0.000 0.995 411 E CA 1.175 57.571 56.400 -0.007 0.000 0.836 411 E CB -0.644 29.050 29.700 -0.011 0.000 0.763 411 E HN 0.817 nan 8.360 nan 0.000 0.491 412 A N 0.930 123.755 122.820 0.009 0.000 2.119 412 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 412 A C 1.449 179.075 177.584 0.070 0.000 1.152 412 A CA 0.595 52.647 52.037 0.025 0.000 0.708 412 A CB -0.023 18.978 19.000 0.002 0.000 0.805 412 A HN 0.102 nan 8.150 nan 0.000 0.460 413 E N 0.022 120.264 120.200 0.071 0.000 2.496 413 E HA 0.099 4.449 4.350 -0.000 0.000 0.200 413 E C -0.421 176.229 176.600 0.083 0.000 1.016 413 E CA -0.234 56.239 56.400 0.122 0.000 0.962 413 E CB 0.311 30.055 29.700 0.074 0.000 1.071 413 E HN 0.496 nan 8.360 nan 0.000 0.457 414 Q N 0.401 120.233 119.800 0.053 0.000 2.215 414 Q HA 0.599 4.939 4.340 -0.000 0.000 0.256 414 Q C -0.271 175.748 176.000 0.032 0.000 0.972 414 Q CA -0.559 55.266 55.803 0.036 0.000 0.889 414 Q CB 1.887 30.626 28.738 0.002 0.000 1.281 414 Q HN 0.131 nan 8.270 nan 0.000 0.456 415 A N 0.566 123.398 122.820 0.020 0.000 2.269 415 A HA 0.760 5.080 4.320 -0.000 0.000 0.319 415 A C -0.248 177.328 177.584 -0.012 0.000 1.110 415 A CA -0.265 51.774 52.037 0.003 0.000 0.847 415 A CB 1.450 20.448 19.000 -0.005 0.000 1.161 415 A HN 0.597 nan 8.150 nan 0.000 0.497 416 T N -0.624 113.923 114.554 -0.011 0.000 2.942 416 T HA 0.613 4.963 4.350 -0.000 0.000 0.327 416 T C -1.262 173.452 174.700 0.024 0.000 1.360 416 T CA -0.558 61.547 62.100 0.009 0.000 1.055 416 T CB 1.211 70.093 68.868 0.022 0.000 1.261 416 T HN 1.053 nan 8.240 nan 0.000 0.485 417 R N 1.457 122.013 120.500 0.093 0.000 2.668 417 R HA 0.764 5.104 4.340 -0.000 0.000 0.272 417 R C -1.651 174.848 176.300 0.331 0.000 1.019 417 R CA -0.360 55.851 56.100 0.184 0.000 0.894 417 R CB 2.073 32.458 30.300 0.142 0.000 1.228 417 R HN 0.676 nan 8.270 nan 0.000 0.460 418 T N 4.440 119.120 114.554 0.210 0.000 2.879 418 T HA 0.550 4.900 4.350 -0.000 0.000 0.290 418 T C -0.401 174.261 174.700 -0.062 0.000 0.993 418 T CA -0.731 61.395 62.100 0.043 0.000 0.975 418 T CB 0.992 69.861 68.868 0.003 0.000 0.981 418 T HN 0.651 nan 8.240 nan 0.000 0.439 419 M N 1.723 121.132 119.600 -0.318 0.000 2.852 419 M HA 0.741 5.221 4.480 -0.000 0.000 0.301 419 M C -1.057 175.099 176.300 -0.239 0.000 1.229 419 M CA -1.016 54.110 55.300 -0.290 0.000 0.832 419 M CB 2.096 34.396 32.600 -0.500 0.000 1.726 419 M HN 0.466 nan 8.290 nan 0.000 0.497 420 Q N 0.853 120.545 119.800 -0.181 0.000 2.263 420 Q HA 0.722 5.062 4.340 -0.000 0.000 0.266 420 Q C -2.203 173.702 176.000 -0.159 0.000 1.002 420 Q CA -0.587 55.117 55.803 -0.164 0.000 0.790 420 Q CB 2.403 31.076 28.738 -0.110 0.000 1.272 420 Q HN 0.967 nan 8.270 nan 0.000 0.435 421 A N 4.395 127.109 122.820 -0.177 0.000 2.320 421 A HA 0.792 5.112 4.320 -0.000 0.000 0.334 421 A C -1.111 176.546 177.584 0.123 0.000 1.147 421 A CA -0.627 51.355 52.037 -0.091 0.000 0.820 421 A CB 0.914 19.823 19.000 -0.151 0.000 1.218 421 A HN 0.764 nan 8.150 nan 0.000 0.482 422 L N 1.665 122.909 121.223 0.035 0.000 2.330 422 L HA 0.453 4.793 4.340 -0.000 0.000 0.271 422 L C -2.340 174.475 176.870 -0.092 0.000 1.013 422 L CA -2.312 52.585 54.840 0.096 0.000 0.816 422 L CB 2.103 44.173 42.059 0.019 0.000 1.287 422 L HN 0.422 nan 8.230 nan 0.000 0.435 423 P HA -0.068 nan 4.420 nan 0.000 0.269 423 P C -1.341 175.888 177.300 -0.119 0.000 1.215 423 P CA 0.057 62.787 63.100 -0.617 0.000 0.780 423 P CB 0.225 31.771 31.700 -0.257 0.000 0.898 424 Y N 2.424 122.624 120.300 -0.166 0.000 2.477 424 Y HA 0.275 4.825 4.550 -0.000 0.000 0.349 424 Y C 0.673 176.631 175.900 0.098 0.000 0.977 424 Y CA -0.316 57.803 58.100 0.031 0.000 1.214 424 Y CB 0.289 38.833 38.460 0.139 0.000 1.124 424 Y HN 0.252 nan 8.280 nan 0.000 0.521 425 S N 4.510 119.968 115.700 -0.404 0.000 2.552 425 S HA 0.169 4.639 4.470 -0.000 0.000 0.289 425 S C -0.141 174.173 174.600 -0.478 0.000 1.304 425 S CA -0.035 57.967 58.200 -0.331 0.000 1.063 425 S CB 0.053 63.096 63.200 -0.261 0.000 0.848 425 S HN 0.793 nan 8.310 nan 0.000 0.499 426 T N 4.386 118.804 114.554 -0.227 0.000 2.855 426 T HA 0.344 4.694 4.350 -0.000 0.000 0.281 426 T C -0.423 174.196 174.700 -0.135 0.000 1.007 426 T CA -0.640 61.337 62.100 -0.205 0.000 1.009 426 T CB 1.429 70.166 68.868 -0.219 0.000 0.983 426 T HN 0.471 nan 8.240 nan 0.000 0.455 427 V N 3.304 123.141 119.914 -0.129 0.000 2.377 427 V HA 0.400 4.520 4.120 -0.000 0.000 0.254 427 V C 1.436 177.468 176.094 -0.103 0.000 1.060 427 V CA 0.930 63.163 62.300 -0.113 0.000 1.068 427 V CB -0.473 31.234 31.823 -0.194 0.000 1.113 427 V HN 1.294 nan 8.190 nan 0.000 0.484 428 G N 4.885 113.642 108.800 -0.072 0.000 2.141 428 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 428 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 428 G C 0.368 175.239 174.900 -0.048 0.000 0.982 428 G CA -0.005 45.060 45.100 -0.058 0.000 0.662 428 G HN 0.836 nan 8.290 nan 0.000 0.527 429 N N -1.235 117.433 118.700 -0.052 0.000 2.708 429 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 429 N C 1.500 176.992 175.510 -0.029 0.000 1.123 429 N CA 2.039 55.070 53.050 -0.032 0.000 0.739 429 N CB -1.705 36.780 38.487 -0.004 0.000 1.113 429 N HN 1.509 nan 8.380 nan 0.000 0.561 430 S N -0.780 114.885 115.700 -0.060 0.000 2.595 430 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 430 S C 0.799 175.378 174.600 -0.036 0.000 0.974 430 S CA 0.451 58.624 58.200 -0.044 0.000 0.942 430 S CB -0.029 63.131 63.200 -0.067 0.000 0.766 430 S HN 0.354 nan 8.310 nan 0.000 0.536 431 N N 1.345 119.995 118.700 -0.084 0.000 2.725 431 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 431 N C -1.533 173.870 175.510 -0.179 0.000 1.103 431 N CA 0.901 53.913 53.050 -0.064 0.000 0.707 431 N CB -2.117 36.478 38.487 0.180 0.000 1.043 431 N HN 0.538 nan 8.380 nan 0.000 0.553 432 N N 0.761 119.285 118.700 -0.294 0.000 2.414 432 N HA 0.324 5.064 4.740 -0.000 0.000 0.256 432 N C -0.167 175.209 175.510 -0.224 0.000 1.029 432 N CA 0.110 53.102 53.050 -0.097 0.000 0.948 432 N CB 0.325 38.839 38.487 0.045 0.000 1.102 432 N HN 0.211 nan 8.380 nan 0.000 0.496 433 Y N 0.681 121.124 120.300 0.239 0.000 2.686 433 Y HA 0.698 5.248 4.550 -0.000 0.000 0.330 433 Y C -0.357 175.683 175.900 0.233 0.000 1.082 433 Y CA -1.249 56.949 58.100 0.164 0.000 1.158 433 Y CB 1.364 39.885 38.460 0.100 0.000 1.333 433 Y HN 0.222 nan 8.280 nan 0.000 0.519 434 L N 0.790 122.192 121.223 0.297 0.000 2.526 434 L HA 0.483 4.823 4.340 -0.000 0.000 0.263 434 L C -1.953 175.005 176.870 0.147 0.000 0.943 434 L CA -0.336 54.668 54.840 0.274 0.000 0.859 434 L CB 1.818 44.108 42.059 0.386 0.000 1.313 434 L HN 0.803 nan 8.230 nan 0.000 0.406 435 H N 3.913 122.994 119.070 0.018 0.000 2.717 435 H HA 0.770 5.326 4.556 -0.000 0.000 0.366 435 H C -1.559 173.692 175.328 -0.128 0.000 1.132 435 H CA -0.558 55.463 56.048 -0.045 0.000 1.180 435 H CB 1.739 31.488 29.762 -0.021 0.000 1.678 435 H HN 0.619 nan 8.280 nan 0.000 0.537 436 L N 4.713 125.577 121.223 -0.599 0.000 2.384 436 L HA 0.318 4.658 4.340 -0.000 0.000 0.261 436 L C -0.288 176.319 176.870 -0.437 0.000 1.024 436 L CA -0.744 53.797 54.840 -0.499 0.000 0.899 436 L CB 1.079 42.841 42.059 -0.494 0.000 1.243 436 L HN 0.608 nan 8.230 nan 0.000 0.449 437 S N 1.795 117.381 115.700 -0.189 0.000 2.513 437 S HA 0.701 5.171 4.470 -0.000 0.000 0.276 437 S C -0.280 174.235 174.600 -0.143 0.000 1.254 437 S CA -0.642 57.509 58.200 -0.081 0.000 1.053 437 S CB 1.969 65.204 63.200 0.057 0.000 0.958 437 S HN 0.199 nan 8.310 nan 0.000 0.491 438 V N 3.668 123.501 119.914 -0.136 0.000 2.577 438 V HA 0.295 4.415 4.120 -0.000 0.000 0.303 438 V C -0.601 175.429 176.094 -0.106 0.000 1.042 438 V CA -0.943 61.275 62.300 -0.136 0.000 0.872 438 V CB 1.576 33.299 31.823 -0.168 0.000 0.998 438 V HN 0.861 nan 8.190 nan 0.000 0.423 439 L N 4.843 126.013 121.223 -0.088 0.000 2.742 439 L HA 0.161 4.501 4.340 -0.000 0.000 0.275 439 L C 0.879 177.700 176.870 -0.082 0.000 1.141 439 L CA 0.472 55.267 54.840 -0.074 0.000 0.987 439 L CB -0.646 41.376 42.059 -0.062 0.000 1.319 439 L HN 0.530 nan 8.230 nan 0.000 0.478 440 R N 3.038 123.489 120.500 -0.081 0.000 2.387 440 R HA 0.266 4.606 4.340 -0.000 0.000 0.321 440 R C -0.376 175.882 176.300 -0.070 0.000 1.174 440 R CA 0.156 56.203 56.100 -0.088 0.000 1.002 440 R CB -0.501 29.751 30.300 -0.080 0.000 1.028 440 R HN 0.746 nan 8.270 nan 0.000 0.482 441 T N 0.054 114.563 114.554 -0.075 0.000 2.903 441 T HA 0.350 4.700 4.350 -0.000 0.000 0.299 441 T C -0.551 174.112 174.700 -0.061 0.000 1.093 441 T CA -1.124 60.943 62.100 -0.056 0.000 1.002 441 T CB 1.161 70.000 68.868 -0.048 0.000 1.127 441 T HN 0.502 nan 8.240 nan 0.000 0.488 442 E N 1.873 122.048 120.200 -0.041 0.000 2.406 442 E HA 0.116 4.466 4.350 -0.000 0.000 0.247 442 E C -0.130 176.440 176.600 -0.050 0.000 1.160 442 E CA -0.052 56.324 56.400 -0.041 0.000 0.950 442 E CB -0.009 29.683 29.700 -0.013 0.000 0.993 442 E HN 0.409 nan 8.360 nan 0.000 0.472 443 L N 4.153 125.335 121.223 -0.067 0.000 2.426 443 L HA 0.205 4.545 4.340 -0.000 0.000 0.271 443 L C 0.676 177.508 176.870 -0.064 0.000 1.169 443 L CA 0.353 55.151 54.840 -0.070 0.000 0.836 443 L CB 0.314 42.332 42.059 -0.068 0.000 1.112 443 L HN 0.390 nan 8.230 nan 0.000 0.465 444 R N 2.908 123.368 120.500 -0.067 0.000 2.686 444 R HA 0.418 4.758 4.340 -0.000 0.000 0.283 444 R C -2.628 173.635 176.300 -0.061 0.000 0.978 444 R CA -2.161 53.907 56.100 -0.053 0.000 0.897 444 R CB 1.405 31.683 30.300 -0.036 0.000 1.192 444 R HN 0.289 nan 8.270 nan 0.000 0.457 445 P HA -0.015 nan 4.420 nan 0.000 0.260 445 P C 0.617 177.901 177.300 -0.027 0.000 1.185 445 P CA 1.110 64.192 63.100 -0.029 0.000 0.763 445 P CB 0.561 32.262 31.700 0.001 0.000 0.776 446 G N 2.165 110.943 108.800 -0.037 0.000 2.259 446 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 446 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 446 G C 0.307 175.179 174.900 -0.047 0.000 1.001 446 G CA -0.316 44.766 45.100 -0.029 0.000 0.627 446 G HN 0.512 nan 8.290 nan 0.000 0.501 447 E N -0.076 120.083 120.200 -0.068 0.000 3.196 447 E HA 0.558 4.908 4.350 -0.000 0.000 0.268 447 E C -0.015 176.526 176.600 -0.100 0.000 1.430 447 E CA 0.371 56.727 56.400 -0.074 0.000 1.176 447 E CB 0.618 30.273 29.700 -0.074 0.000 1.228 447 E HN 0.129 nan 8.360 nan 0.000 0.730 448 T N 0.161 114.657 114.554 -0.096 0.000 2.916 448 T HA 0.461 4.811 4.350 -0.000 0.000 0.298 448 T C -1.807 172.826 174.700 -0.111 0.000 1.031 448 T CA -0.729 61.307 62.100 -0.108 0.000 0.993 448 T CB 0.844 69.669 68.868 -0.072 0.000 1.045 448 T HN 0.206 nan 8.240 nan 0.000 0.454 449 L N 4.708 125.850 121.223 -0.136 0.000 2.346 449 L HA 0.684 5.024 4.340 -0.000 0.000 0.276 449 L C -0.836 175.978 176.870 -0.093 0.000 1.006 449 L CA -0.459 54.312 54.840 -0.115 0.000 0.817 449 L CB 1.752 43.734 42.059 -0.127 0.000 1.272 449 L HN 0.577 nan 8.230 nan 0.000 0.421 450 N N 3.932 122.587 118.700 -0.076 0.000 2.462 450 N HA 0.315 5.055 4.740 -0.000 0.000 0.242 450 N C -1.054 174.406 175.510 -0.084 0.000 1.010 450 N CA -0.224 52.788 53.050 -0.063 0.000 0.939 450 N CB 1.629 40.088 38.487 -0.047 0.000 1.127 450 N HN 0.350 nan 8.380 nan 0.000 0.509 451 V N 2.991 122.848 119.914 -0.095 0.000 2.432 451 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 451 V C 0.120 176.087 176.094 -0.213 0.000 1.043 451 V CA -0.719 61.464 62.300 -0.195 0.000 0.925 451 V CB 0.783 32.455 31.823 -0.252 0.000 0.985 451 V HN 0.469 nan 8.190 nan 0.000 0.466 452 N N 4.049 122.577 118.700 -0.288 0.000 2.419 452 N HA 0.493 5.233 4.740 -0.000 0.000 0.277 452 N C -1.019 174.268 175.510 -0.371 0.000 1.006 452 N CA -0.315 52.624 53.050 -0.186 0.000 0.923 452 N CB 1.345 39.778 38.487 -0.091 0.000 1.140 452 N HN 0.450 nan 8.380 nan 0.000 0.488 453 F N 1.833 121.694 119.950 -0.147 0.000 2.308 453 F HA 0.313 4.840 4.527 -0.000 0.000 0.370 453 F C 0.114 175.813 175.800 -0.169 0.000 1.100 453 F CA -0.889 56.948 58.000 -0.272 0.000 1.108 453 F CB 0.754 39.417 39.000 -0.561 0.000 1.293 453 F HN 0.203 nan 8.300 nan 0.000 0.478 454 L N 5.070 126.310 121.223 0.029 0.000 2.275 454 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 454 L C -1.036 175.898 176.870 0.108 0.000 1.046 454 L CA -0.592 54.293 54.840 0.076 0.000 0.805 454 L CB 0.888 42.997 42.059 0.084 0.000 1.193 454 L HN 0.510 nan 8.230 nan 0.000 0.426 455 L N 5.535 126.826 121.223 0.113 0.000 2.334 455 L HA 0.672 5.012 4.340 -0.000 0.000 0.270 455 L C -0.686 176.252 176.870 0.113 0.000 1.018 455 L CA -0.309 54.602 54.840 0.119 0.000 0.811 455 L CB 1.406 43.512 42.059 0.080 0.000 1.271 455 L HN 0.765 nan 8.230 nan 0.000 0.443 456 R N 5.375 125.963 120.500 0.147 0.000 2.631 456 R HA 0.658 4.998 4.340 -0.000 0.000 0.289 456 R C -1.859 174.544 176.300 0.172 0.000 1.303 456 R CA -0.360 55.840 56.100 0.167 0.000 0.989 456 R CB 0.746 31.188 30.300 0.236 0.000 1.208 456 R HN 0.880 nan 8.270 nan 0.000 0.461 457 M N 0.690 120.356 119.600 0.110 0.000 2.694 457 M HA 0.342 4.822 4.480 -0.000 0.000 0.276 457 M C -1.573 174.772 176.300 0.074 0.000 1.167 457 M CA -1.153 54.206 55.300 0.100 0.000 0.849 457 M CB 1.471 34.123 32.600 0.087 0.000 1.705 457 M HN 0.294 nan 8.290 nan 0.000 0.504 458 D N 1.255 121.703 120.400 0.079 0.000 2.378 458 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 458 D C 0.782 177.101 176.300 0.031 0.000 1.180 458 D CA -0.247 53.786 54.000 0.056 0.000 0.895 458 D CB 0.620 41.457 40.800 0.062 0.000 1.192 458 D HN 0.850 nan 8.370 nan 0.000 0.438 459 R N 0.323 120.825 120.500 0.002 0.000 2.357 459 R HA 0.073 4.413 4.340 -0.000 0.000 0.202 459 R C 1.490 177.745 176.300 -0.074 0.000 1.047 459 R CA 0.710 56.794 56.100 -0.026 0.000 1.034 459 R CB -0.525 29.760 30.300 -0.026 0.000 0.875 459 R HN 0.385 nan 8.270 nan 0.000 0.473 460 A N 1.133 123.893 122.820 -0.099 0.000 2.070 460 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 460 A C 0.926 178.136 177.584 -0.622 0.000 1.159 460 A CA 1.014 52.868 52.037 -0.305 0.000 0.656 460 A CB -0.311 18.543 19.000 -0.243 0.000 0.800 460 A HN 0.570 nan 8.150 nan 0.000 0.453 461 H N -2.189 116.869 119.070 -0.020 0.000 3.394 461 H HA 0.050 4.606 4.556 -0.000 0.000 0.256 461 H C 1.139 176.436 175.328 -0.051 0.000 1.180 461 H CA 0.699 56.728 56.048 -0.031 0.000 1.064 461 H CB 0.071 29.819 29.762 -0.024 0.000 1.854 461 H HN 0.764 nan 8.280 nan 0.000 0.731 462 E N 1.329 121.541 120.200 0.019 0.000 2.268 462 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 462 E C 1.855 178.419 176.600 -0.060 0.000 0.995 462 E CA 1.147 57.529 56.400 -0.031 0.000 0.836 462 E CB -0.005 29.677 29.700 -0.029 0.000 0.763 462 E HN 0.218 nan 8.360 nan 0.000 0.491 463 A N 0.671 123.463 122.820 -0.046 0.000 2.235 463 A HA 0.043 4.362 4.320 -0.000 0.000 0.208 463 A C 1.671 179.221 177.584 -0.057 0.000 1.172 463 A CA 0.534 52.541 52.037 -0.051 0.000 0.786 463 A CB -0.186 18.788 19.000 -0.043 0.000 0.804 463 A HN 0.167 nan 8.150 nan 0.000 0.479 464 K N -0.378 119.989 120.400 -0.056 0.000 2.356 464 K HA 0.185 4.505 4.320 -0.000 0.000 0.195 464 K C -0.278 176.223 176.600 -0.164 0.000 1.037 464 K CA 0.049 56.293 56.287 -0.071 0.000 1.014 464 K CB 0.307 32.796 32.500 -0.019 0.000 0.815 464 K HN 0.289 nan 8.250 nan 0.000 0.507 465 I N 2.664 123.106 120.570 -0.213 0.000 2.311 465 I HA 0.049 4.219 4.170 -0.000 0.000 0.297 465 I C 0.758 176.656 176.117 -0.366 0.000 1.131 465 I CA 0.420 61.493 61.300 -0.377 0.000 1.289 465 I CB 0.433 38.148 38.000 -0.474 0.000 1.446 465 I HN 0.020 nan 8.210 nan 0.000 0.524 466 R N 5.293 125.557 120.500 -0.393 0.000 2.334 466 R HA 0.182 4.522 4.340 -0.000 0.000 0.212 466 R C -0.552 175.694 176.300 -0.090 0.000 0.897 466 R CA 0.142 56.133 56.100 -0.181 0.000 1.056 466 R CB 0.010 30.305 30.300 -0.009 0.000 1.046 466 R HN 0.652 nan 8.270 nan 0.000 0.513 467 Y N -3.567 116.561 120.300 -0.287 0.000 2.620 467 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 467 Y C -1.332 174.316 175.900 -0.419 0.000 1.173 467 Y CA -2.178 55.761 58.100 -0.268 0.000 1.076 467 Y CB 0.144 38.544 38.460 -0.100 0.000 1.336 467 Y HN -0.209 nan 8.280 nan 0.000 0.459 468 Y N 0.022 120.362 120.300 0.067 0.000 2.568 468 Y HA 0.779 5.329 4.550 -0.000 0.000 0.327 468 Y C -0.102 175.840 175.900 0.070 0.000 1.163 468 Y CA -1.126 56.976 58.100 0.002 0.000 1.219 468 Y CB 2.368 40.738 38.460 -0.150 0.000 1.308 468 Y HN 0.670 nan 8.280 nan 0.000 0.503 469 T N 1.939 116.596 114.554 0.172 0.000 2.963 469 T HA 0.281 4.631 4.350 -0.000 0.000 0.328 469 T C -1.431 173.424 174.700 0.259 0.000 1.048 469 T CA -0.689 61.468 62.100 0.095 0.000 1.033 469 T CB -0.625 68.177 68.868 -0.110 0.000 1.010 469 T HN 0.415 nan 8.240 nan 0.000 0.469 470 Y N 2.238 122.694 120.300 0.259 0.000 2.323 470 Y HA 0.841 5.391 4.550 -0.000 0.000 0.331 470 Y C -1.199 174.868 175.900 0.278 0.000 1.092 470 Y CA -1.745 56.541 58.100 0.310 0.000 1.150 470 Y CB 0.536 39.218 38.460 0.371 0.000 1.200 470 Y HN 0.276 nan 8.280 nan 0.000 0.472 471 L N 5.307 126.748 121.223 0.363 0.000 2.385 471 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 471 L C -0.818 176.246 176.870 0.323 0.000 0.990 471 L CA -0.720 54.287 54.840 0.278 0.000 0.821 471 L CB 1.861 44.082 42.059 0.270 0.000 1.279 471 L HN 0.620 nan 8.230 nan 0.000 0.412 472 I N 4.085 124.834 120.570 0.297 0.000 2.312 472 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 472 I C -0.095 176.158 176.117 0.226 0.000 1.031 472 I CA -0.254 61.230 61.300 0.307 0.000 1.293 472 I CB 1.167 39.321 38.000 0.257 0.000 1.403 472 I HN 0.508 nan 8.210 nan 0.000 0.484 473 M N 6.206 125.964 119.600 0.263 0.000 2.264 473 M HA 0.334 4.814 4.480 -0.000 0.000 0.352 473 M C -0.149 176.291 176.300 0.234 0.000 1.173 473 M CA -0.067 55.361 55.300 0.212 0.000 1.075 473 M CB 1.033 33.753 32.600 0.200 0.000 1.621 473 M HN 0.550 nan 8.290 nan 0.000 0.457 474 N N 2.260 121.061 118.700 0.167 0.000 2.600 474 N HA 0.121 4.861 4.740 -0.000 0.000 0.272 474 N C -0.900 174.699 175.510 0.149 0.000 1.095 474 N CA -0.198 52.950 53.050 0.164 0.000 0.993 474 N CB 1.160 39.687 38.487 0.066 0.000 1.603 474 N HN 0.656 nan 8.380 nan 0.000 0.526 475 K N 2.142 122.655 120.400 0.189 0.000 3.088 475 K HA -0.208 4.112 4.320 -0.000 0.000 0.273 475 K C 0.496 177.215 176.600 0.198 0.000 1.111 475 K CA 0.946 57.364 56.287 0.219 0.000 0.803 475 K CB -1.503 31.140 32.500 0.238 0.000 1.226 475 K HN 1.014 nan 8.250 nan 0.000 0.485 476 G N 0.513 109.406 108.800 0.155 0.000 2.171 476 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.238 476 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.238 476 G C -0.118 174.824 174.900 0.070 0.000 1.039 476 G CA 0.613 45.779 45.100 0.109 0.000 0.759 476 G HN 0.694 nan 8.290 nan 0.000 0.501 477 R N -1.525 119.022 120.500 0.079 0.000 2.766 477 R HA 0.743 5.083 4.340 -0.000 0.000 0.270 477 R C -1.014 175.322 176.300 0.061 0.000 1.035 477 R CA -1.329 54.800 56.100 0.048 0.000 0.911 477 R CB 0.744 31.062 30.300 0.030 0.000 1.243 477 R HN 0.193 nan 8.270 nan 0.000 0.460 478 L N 2.964 124.215 121.223 0.046 0.000 2.282 478 L HA 0.228 4.568 4.340 -0.000 0.000 0.287 478 L C 1.054 177.940 176.870 0.027 0.000 1.075 478 L CA -0.549 54.328 54.840 0.061 0.000 0.839 478 L CB 1.301 43.403 42.059 0.072 0.000 1.219 478 L HN 0.624 nan 8.230 nan 0.000 0.434 479 L N 3.267 124.496 121.223 0.009 0.000 2.072 479 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 479 L C 0.707 177.554 176.870 -0.037 0.000 1.079 479 L CA 1.723 56.522 54.840 -0.067 0.000 0.752 479 L CB -0.144 41.791 42.059 -0.208 0.000 0.906 479 L HN 0.604 nan 8.230 nan 0.000 0.436 480 K N -1.465 118.952 120.400 0.028 0.000 2.610 480 K HA 0.603 4.923 4.320 -0.000 0.000 0.278 480 K C -2.092 174.559 176.600 0.085 0.000 0.964 480 K CA -0.237 56.089 56.287 0.063 0.000 0.859 480 K CB 1.604 34.163 32.500 0.099 0.000 1.434 480 K HN -0.055 nan 8.250 nan 0.000 0.410 481 A N 1.498 124.329 122.820 0.020 0.000 2.429 481 A HA 0.767 5.087 4.320 -0.000 0.000 0.289 481 A C -0.813 176.625 177.584 -0.244 0.000 1.043 481 A CA -0.039 51.945 52.037 -0.087 0.000 0.722 481 A CB 1.661 20.673 19.000 0.020 0.000 1.243 481 A HN 0.824 nan 8.150 nan 0.000 0.415 482 G N 1.073 109.433 108.800 -0.734 0.000 2.975 482 G HA2 0.735 4.695 3.960 -0.000 0.000 0.291 482 G HA3 0.735 4.695 3.960 -0.000 0.000 0.291 482 G C -1.133 173.401 174.900 -0.609 0.000 1.334 482 G CA -0.664 44.063 45.100 -0.622 0.000 0.843 482 G HN 0.616 nan 8.290 nan 0.000 0.548 483 R N -0.733 119.691 120.500 -0.126 0.000 2.892 483 R HA 0.649 4.989 4.340 -0.000 0.000 0.265 483 R C -1.378 175.092 176.300 0.283 0.000 1.025 483 R CA -0.876 55.265 56.100 0.069 0.000 0.982 483 R CB 1.821 32.106 30.300 -0.024 0.000 1.185 483 R HN 0.504 nan 8.270 nan 0.000 0.484 484 Q N 1.203 121.121 119.800 0.197 0.000 2.533 484 Q HA 0.239 4.579 4.340 -0.000 0.000 0.251 484 Q C -0.734 175.318 176.000 0.087 0.000 0.966 484 Q CA -0.583 55.265 55.803 0.076 0.000 0.714 484 Q CB 1.134 29.720 28.738 -0.252 0.000 1.284 484 Q HN 0.513 nan 8.270 nan 0.000 0.478 485 V N 1.390 121.351 119.914 0.078 0.000 3.178 485 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 485 V C -0.115 176.007 176.094 0.047 0.000 1.107 485 V CA -0.318 62.027 62.300 0.076 0.000 1.195 485 V CB 0.948 32.805 31.823 0.056 0.000 0.993 485 V HN 0.870 nan 8.190 nan 0.000 0.493 486 R N 1.436 121.947 120.500 0.017 0.000 2.563 486 R HA 0.460 4.800 4.340 -0.000 0.000 0.262 486 R C -1.429 174.856 176.300 -0.025 0.000 1.128 486 R CA -0.543 55.553 56.100 -0.008 0.000 0.969 486 R CB 1.977 32.240 30.300 -0.062 0.000 1.251 486 R HN 0.921 nan 8.270 nan 0.000 0.442 487 E N 3.669 123.863 120.200 -0.009 0.000 2.214 487 E HA 0.373 4.723 4.350 -0.000 0.000 0.274 487 E C -2.486 174.100 176.600 -0.023 0.000 0.977 487 E CA -2.082 54.310 56.400 -0.013 0.000 0.827 487 E CB 1.259 30.959 29.700 -0.000 0.000 1.130 487 E HN 0.334 nan 8.360 nan 0.000 0.394 488 P HA 0.073 nan 4.420 nan 0.000 0.258 488 P C 0.382 177.671 177.300 -0.019 0.000 1.187 488 P CA 0.957 64.037 63.100 -0.032 0.000 0.767 488 P CB 0.409 32.091 31.700 -0.030 0.000 0.770 489 G N 2.622 111.413 108.800 -0.016 0.000 2.336 489 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.194 489 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.194 489 G C -0.043 174.859 174.900 0.004 0.000 0.999 489 G CA -0.536 44.561 45.100 -0.006 0.000 0.669 489 G HN 0.529 nan 8.290 nan 0.000 0.482 490 Q N 1.043 120.848 119.800 0.008 0.000 2.361 490 Q HA 0.402 4.742 4.340 -0.000 0.000 0.250 490 Q C -0.001 176.023 176.000 0.041 0.000 1.023 490 Q CA -0.456 55.363 55.803 0.026 0.000 0.915 490 Q CB 1.072 29.830 28.738 0.034 0.000 1.238 490 Q HN 0.194 nan 8.270 nan 0.000 0.451 491 D N 1.297 121.721 120.400 0.041 0.000 2.305 491 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 491 D C -0.312 176.031 176.300 0.071 0.000 0.974 491 D CA 0.636 54.666 54.000 0.050 0.000 0.871 491 D CB 0.489 41.311 40.800 0.036 0.000 0.947 491 D HN 0.218 nan 8.370 nan 0.000 0.516 492 L N 0.982 122.246 121.223 0.069 0.000 2.482 492 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 492 L C -0.849 176.074 176.870 0.088 0.000 0.967 492 L CA -1.019 53.867 54.840 0.077 0.000 0.851 492 L CB 1.682 43.770 42.059 0.049 0.000 1.242 492 L HN -0.167 nan 8.230 nan 0.000 0.404 493 V N 2.741 122.732 119.914 0.129 0.000 3.096 493 V HA 0.902 5.022 4.120 -0.000 0.000 0.319 493 V C -0.586 175.608 176.094 0.167 0.000 1.103 493 V CA -0.737 61.640 62.300 0.128 0.000 1.016 493 V CB 1.891 33.788 31.823 0.123 0.000 1.090 493 V HN 0.450 nan 8.190 nan 0.000 0.449 494 V N 2.223 122.214 119.914 0.128 0.000 2.769 494 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 494 V C -0.711 175.459 176.094 0.126 0.000 1.061 494 V CA -0.543 61.829 62.300 0.121 0.000 0.931 494 V CB 1.634 33.489 31.823 0.053 0.000 1.010 494 V HN 0.884 nan 8.190 nan 0.000 0.433 495 L N 6.358 127.660 121.223 0.132 0.000 2.343 495 L HA 0.668 5.008 4.340 -0.000 0.000 0.278 495 L C -2.593 174.273 176.870 -0.007 0.000 0.996 495 L CA -1.932 52.953 54.840 0.074 0.000 0.831 495 L CB 1.904 44.061 42.059 0.164 0.000 1.232 495 L HN 0.383 nan 8.230 nan 0.000 0.413 496 P HA 0.149 nan 4.420 nan 0.000 0.249 496 P C -0.879 176.393 177.300 -0.048 0.000 1.737 496 P CA -0.227 62.857 63.100 -0.027 0.000 1.128 496 P CB 0.025 31.720 31.700 -0.008 0.000 1.942 497 L N 2.191 123.364 121.223 -0.083 0.000 2.281 497 L HA 0.300 4.640 4.340 -0.000 0.000 0.285 497 L C 0.005 176.784 176.870 -0.153 0.000 1.074 497 L CA 0.268 55.039 54.840 -0.115 0.000 0.817 497 L CB 0.511 42.477 42.059 -0.155 0.000 1.168 497 L HN 0.009 nan 8.230 nan 0.000 0.434 498 S N 6.570 122.199 115.700 -0.118 0.000 2.422 498 S HA 0.503 4.973 4.470 -0.000 0.000 0.298 498 S C -0.107 174.333 174.600 -0.267 0.000 1.118 498 S CA -0.558 57.564 58.200 -0.130 0.000 1.083 498 S CB 0.453 63.636 63.200 -0.028 0.000 0.971 498 S HN 0.393 nan 8.310 nan 0.000 0.478 499 I N 4.640 124.974 120.570 -0.394 0.000 2.352 499 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 499 I C 1.315 177.333 176.117 -0.166 0.000 1.036 499 I CA -0.001 60.921 61.300 -0.630 0.000 1.336 499 I CB 0.209 37.871 38.000 -0.564 0.000 1.407 499 I HN 0.659 nan 8.210 nan 0.000 0.497 500 T N 1.311 115.955 114.554 0.150 0.000 2.797 500 T HA 0.287 4.637 4.350 -0.000 0.000 0.267 500 T C 1.242 176.051 174.700 0.181 0.000 0.986 500 T CA 0.176 62.386 62.100 0.184 0.000 0.999 500 T CB 0.976 69.965 68.868 0.201 0.000 1.508 500 T HN 0.604 nan 8.240 nan 0.000 0.595 501 T N -2.133 112.491 114.554 0.116 0.000 3.088 501 T HA 0.074 4.424 4.350 -0.000 0.000 0.259 501 T C 0.898 175.645 174.700 0.077 0.000 1.122 501 T CA 0.581 62.732 62.100 0.085 0.000 1.095 501 T CB -0.545 68.367 68.868 0.072 0.000 0.930 501 T HN 0.483 nan 8.240 nan 0.000 0.508 502 D N 1.227 121.660 120.400 0.054 0.000 2.123 502 D HA 0.064 4.704 4.640 -0.000 0.000 0.200 502 D C 1.412 177.653 176.300 -0.098 0.000 0.976 502 D CA 0.579 54.544 54.000 -0.059 0.000 0.831 502 D CB -0.584 40.096 40.800 -0.200 0.000 0.974 502 D HN 0.448 nan 8.370 nan 0.000 0.469 503 F N 1.167 121.062 119.950 -0.092 0.000 2.307 503 F HA -0.041 4.486 4.527 -0.000 0.000 0.301 503 F C 1.162 176.933 175.800 -0.048 0.000 1.076 503 F CA 0.208 58.138 58.000 -0.116 0.000 1.383 503 F CB -0.641 38.156 39.000 -0.339 0.000 1.055 503 F HN -0.110 nan 8.300 nan 0.000 0.526 504 I N 2.251 122.836 120.570 0.025 0.000 2.775 504 I HA -0.093 4.077 4.170 -0.000 0.000 0.290 504 I C -1.387 174.536 176.117 -0.323 0.000 1.203 504 I CA -1.037 60.122 61.300 -0.236 0.000 1.433 504 I CB 0.368 38.137 38.000 -0.385 0.000 1.354 504 I HN -0.118 nan 8.210 nan 0.000 0.579 505 P HA 0.020 nan 4.420 nan 0.000 0.220 505 P C -0.289 176.971 177.300 -0.067 0.000 1.154 505 P CA 0.439 63.286 63.100 -0.422 0.000 0.837 505 P CB 0.374 31.820 31.700 -0.424 0.000 0.815 506 S N -0.305 115.459 115.700 0.105 0.000 2.569 506 S HA 0.768 5.238 4.470 -0.000 0.000 0.280 506 S C -1.023 173.788 174.600 0.351 0.000 1.111 506 S CA -0.814 57.514 58.200 0.212 0.000 0.887 506 S CB 1.491 64.969 63.200 0.462 0.000 1.095 506 S HN 0.081 nan 8.310 nan 0.000 0.476 507 F N -1.028 118.991 119.950 0.115 0.000 2.608 507 F HA 0.773 5.300 4.527 -0.000 0.000 0.309 507 F C -0.786 175.122 175.800 0.180 0.000 1.103 507 F CA -1.138 56.972 58.000 0.182 0.000 0.954 507 F CB 1.408 40.571 39.000 0.272 0.000 1.267 507 F HN 0.634 nan 8.300 nan 0.000 0.444 508 R N 3.101 123.749 120.500 0.245 0.000 2.540 508 R HA 0.659 4.999 4.340 -0.000 0.000 0.287 508 R C -1.556 174.878 176.300 0.223 0.000 0.980 508 R CA -1.145 55.045 56.100 0.151 0.000 0.966 508 R CB 2.022 32.437 30.300 0.193 0.000 1.106 508 R HN 0.747 nan 8.270 nan 0.000 0.480 509 L N 4.507 125.807 121.223 0.129 0.000 2.343 509 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 509 L C -1.006 175.930 176.870 0.110 0.000 0.996 509 L CA -0.694 54.260 54.840 0.189 0.000 0.831 509 L CB 1.683 43.848 42.059 0.176 0.000 1.232 509 L HN 0.491 nan 8.230 nan 0.000 0.413 510 V N 2.497 122.506 119.914 0.158 0.000 2.513 510 V HA 0.992 5.112 4.120 -0.000 0.000 0.299 510 V C -0.193 176.028 176.094 0.212 0.000 1.035 510 V CA -0.497 61.855 62.300 0.086 0.000 0.889 510 V CB 1.298 33.111 31.823 -0.017 0.000 0.988 510 V HN 0.918 nan 8.190 nan 0.000 0.440 511 A N 4.794 127.731 122.820 0.194 0.000 2.393 511 A HA 0.934 5.254 4.320 -0.000 0.000 0.306 511 A C -1.147 176.641 177.584 0.341 0.000 1.050 511 A CA -0.652 51.602 52.037 0.362 0.000 0.724 511 A CB 1.622 20.936 19.000 0.523 0.000 1.248 511 A HN 1.979 nan 8.150 nan 0.000 0.424 512 Y N 0.302 120.759 120.300 0.261 0.000 2.524 512 Y HA 0.791 5.341 4.550 -0.000 0.000 0.347 512 Y C -1.238 174.812 175.900 0.250 0.000 1.005 512 Y CA -1.597 56.596 58.100 0.155 0.000 1.025 512 Y CB 1.088 39.579 38.460 0.053 0.000 1.275 512 Y HN 0.909 nan 8.280 nan 0.000 0.460 513 Y N 0.058 120.398 120.300 0.066 0.000 2.499 513 Y HA 0.820 5.370 4.550 -0.000 0.000 0.347 513 Y C -0.938 174.900 175.900 -0.102 0.000 0.987 513 Y CA -1.216 56.777 58.100 -0.178 0.000 1.044 513 Y CB 1.987 40.321 38.460 -0.210 0.000 1.245 513 Y HN 0.894 nan 8.280 nan 0.000 0.461 514 T N 5.069 119.554 114.554 -0.115 0.000 2.893 514 T HA 0.778 5.128 4.350 -0.000 0.000 0.293 514 T C -1.219 173.402 174.700 -0.131 0.000 1.027 514 T CA -0.585 61.434 62.100 -0.135 0.000 0.988 514 T CB 0.729 69.504 68.868 -0.156 0.000 1.043 514 T HN 1.055 nan 8.240 nan 0.000 0.461 515 L N 1.554 122.721 121.223 -0.094 0.000 2.654 515 L HA 0.755 5.095 4.340 -0.000 0.000 0.257 515 L C -1.467 175.344 176.870 -0.098 0.000 1.093 515 L CA -1.392 53.396 54.840 -0.086 0.000 0.903 515 L CB 1.669 43.698 42.059 -0.049 0.000 1.520 515 L HN 0.502 nan 8.230 nan 0.000 0.402 516 I N 1.324 121.839 120.570 -0.092 0.000 3.004 516 I HA 0.484 4.653 4.170 -0.000 0.000 0.328 516 I C 1.080 177.083 176.117 -0.191 0.000 1.296 516 I CA 0.029 61.263 61.300 -0.110 0.000 1.005 516 I CB 0.211 38.172 38.000 -0.066 0.000 1.928 516 I HN 0.770 nan 8.210 nan 0.000 0.545 517 G N 1.447 110.056 108.800 -0.318 0.000 2.394 517 G HA2 0.411 4.371 3.960 -0.000 0.000 0.256 517 G HA3 0.411 4.371 3.960 -0.000 0.000 0.256 517 G C 0.633 175.151 174.900 -0.637 0.000 1.504 517 G CA 0.016 44.628 45.100 -0.813 0.000 1.051 517 G HN 0.759 nan 8.290 nan 0.000 0.550 518 A N -2.023 120.460 122.820 -0.561 0.000 2.859 518 A HA -0.127 4.193 4.320 -0.000 0.000 0.962 518 A C 2.262 179.777 177.584 -0.115 0.000 2.026 518 A CA 2.201 54.116 52.037 -0.204 0.000 2.483 518 A CB -1.361 17.561 19.000 -0.130 0.000 1.436 518 A HN 2.430 nan 8.150 nan 0.000 0.671 519 S N -0.642 115.031 115.700 -0.046 0.000 2.705 519 S HA -0.161 4.309 4.470 -0.000 0.000 0.359 519 S C 1.746 176.328 174.600 -0.030 0.000 1.373 519 S CA 3.220 61.405 58.200 -0.026 0.000 1.179 519 S CB -0.923 62.260 63.200 -0.029 0.000 1.312 519 S HN 3.067 nan 8.310 nan 0.000 0.458 520 G N 0.941 109.708 108.800 -0.055 0.000 2.246 520 G HA2 0.403 4.363 3.960 -0.000 0.000 0.196 520 G HA3 0.403 4.363 3.960 -0.000 0.000 0.196 520 G C -1.041 173.826 174.900 -0.056 0.000 2.264 520 G CA -0.003 45.067 45.100 -0.050 0.000 1.089 520 G HN 1.189 nan 8.290 nan 0.000 0.599 521 Q N 0.202 119.956 119.800 -0.077 0.000 2.520 521 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 521 Q C -0.384 175.556 176.000 -0.100 0.000 0.875 521 Q CA -1.353 54.404 55.803 -0.077 0.000 1.028 521 Q CB 1.396 30.090 28.738 -0.072 0.000 1.534 521 Q HN 0.329 nan 8.270 nan 0.000 0.471 522 R N 1.984 122.430 120.500 -0.090 0.000 2.638 522 R HA -0.054 4.286 4.340 -0.000 0.000 0.351 522 R C -0.666 175.541 176.300 -0.154 0.000 0.871 522 R CA 0.929 56.966 56.100 -0.105 0.000 1.091 522 R CB 0.083 30.337 30.300 -0.076 0.000 0.900 522 R HN 0.717 nan 8.270 nan 0.000 0.405 523 E N 2.764 122.856 120.200 -0.180 0.000 2.214 523 E HA 0.412 4.762 4.350 -0.000 0.000 0.274 523 E C -1.193 175.222 176.600 -0.308 0.000 0.977 523 E CA -0.961 55.288 56.400 -0.251 0.000 0.827 523 E CB 1.241 30.818 29.700 -0.205 0.000 1.130 523 E HN 0.336 nan 8.360 nan 0.000 0.394 524 V N 4.131 123.757 119.914 -0.479 0.000 2.588 524 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 524 V C -0.704 175.158 176.094 -0.387 0.000 1.042 524 V CA -0.757 61.255 62.300 -0.479 0.000 0.877 524 V CB 1.796 33.232 31.823 -0.646 0.000 0.996 524 V HN 0.497 nan 8.190 nan 0.000 0.425 525 V N 3.488 123.161 119.914 -0.401 0.000 2.638 525 V HA 0.969 5.089 4.120 -0.000 0.000 0.306 525 V C 0.075 176.044 176.094 -0.209 0.000 1.052 525 V CA -0.196 61.922 62.300 -0.304 0.000 0.885 525 V CB 1.689 33.168 31.823 -0.573 0.000 0.999 525 V HN 1.103 nan 8.190 nan 0.000 0.424 526 A N 3.303 126.115 122.820 -0.012 0.000 2.564 526 A HA 0.983 5.303 4.320 -0.000 0.000 0.288 526 A C -1.662 175.853 177.584 -0.115 0.000 1.164 526 A CA -0.464 51.556 52.037 -0.028 0.000 0.712 526 A CB 2.254 21.172 19.000 -0.138 0.000 1.303 526 A HN 0.780 nan 8.150 nan 0.000 0.418 527 D N -1.345 118.983 120.400 -0.119 0.000 2.663 527 D HA 0.566 5.206 4.640 -0.000 0.000 0.233 527 D C -0.961 175.263 176.300 -0.127 0.000 1.240 527 D CA 0.527 54.442 54.000 -0.142 0.000 0.774 527 D CB 1.874 42.588 40.800 -0.143 0.000 1.443 527 D HN 0.937 nan 8.370 nan 0.000 0.441 528 S N 0.354 115.986 115.700 -0.112 0.000 2.570 528 S HA 0.820 5.290 4.470 -0.000 0.000 0.286 528 S C -1.335 173.220 174.600 -0.075 0.000 1.099 528 S CA -0.809 57.345 58.200 -0.076 0.000 0.913 528 S CB 1.873 65.043 63.200 -0.050 0.000 1.085 528 S HN 0.841 nan 8.310 nan 0.000 0.480 529 V N 2.508 122.385 119.914 -0.063 0.000 2.655 529 V HA 0.604 4.724 4.120 -0.000 0.000 0.301 529 V C -1.795 174.264 176.094 -0.057 0.000 1.082 529 V CA -0.551 61.701 62.300 -0.081 0.000 0.899 529 V CB 1.266 32.978 31.823 -0.185 0.000 1.014 529 V HN 1.067 nan 8.190 nan 0.000 0.429 530 W N 7.155 128.340 121.300 -0.191 0.000 2.316 530 W HA 0.724 5.384 4.660 -0.000 0.000 0.321 530 W C -1.143 175.176 176.519 -0.334 0.000 1.203 530 W CA -0.247 56.953 57.345 -0.242 0.000 1.214 530 W CB 1.466 30.835 29.460 -0.152 0.000 1.169 530 W HN 0.516 nan 8.180 nan 0.000 0.561 531 V N 6.131 125.225 119.914 -1.366 0.000 2.686 531 V HA 0.149 4.269 4.120 -0.000 0.000 0.306 531 V C -0.835 174.415 176.094 -1.407 0.000 1.065 531 V CA -0.947 60.533 62.300 -1.365 0.000 0.894 531 V CB 1.623 32.745 31.823 -1.167 0.000 1.004 531 V HN 0.557 nan 8.190 nan 0.000 0.424 532 D N 2.671 122.391 120.400 -1.133 0.000 2.225 532 D HA 0.648 5.288 4.640 -0.000 0.000 0.249 532 D C -0.663 175.475 176.300 -0.271 0.000 1.052 532 D CA -0.121 53.504 54.000 -0.625 0.000 0.909 532 D CB 1.863 42.366 40.800 -0.495 0.000 1.186 532 D HN 0.312 nan 8.370 nan 0.000 0.431 533 V N 2.266 122.108 119.914 -0.121 0.000 2.919 533 V HA 0.294 4.414 4.120 -0.000 0.000 0.316 533 V C -0.106 175.931 176.094 -0.094 0.000 1.077 533 V CA -1.158 61.104 62.300 -0.062 0.000 0.977 533 V CB 1.693 33.522 31.823 0.010 0.000 1.039 533 V HN 0.518 nan 8.190 nan 0.000 0.441 534 K N 2.769 123.123 120.400 -0.076 0.000 2.160 534 K HA -0.021 4.299 4.320 -0.000 0.000 0.263 534 K C -0.251 176.286 176.600 -0.105 0.000 1.120 534 K CA 0.329 56.577 56.287 -0.066 0.000 1.115 534 K CB -1.109 31.366 32.500 -0.042 0.000 0.971 534 K HN 0.530 nan 8.250 nan 0.000 0.400 535 D N 2.679 122.998 120.400 -0.134 0.000 2.389 535 D HA 0.023 4.663 4.640 -0.000 0.000 0.263 535 D C -0.044 176.196 176.300 -0.101 0.000 1.255 535 D CA 0.420 54.262 54.000 -0.263 0.000 0.914 535 D CB 0.442 41.111 40.800 -0.218 0.000 1.116 535 D HN 0.643 nan 8.370 nan 0.000 0.502 536 S N 0.654 116.311 115.700 -0.072 0.000 2.757 536 S HA 0.382 4.852 4.470 -0.000 0.000 0.285 536 S C -0.470 174.374 174.600 0.406 0.000 1.196 536 S CA -0.943 57.367 58.200 0.183 0.000 0.856 536 S CB 0.626 63.875 63.200 0.083 0.000 1.212 536 S HN 0.461 nan 8.310 nan 0.000 0.516 537 C N 1.869 121.346 119.300 0.295 0.000 2.653 537 C HA 0.320 4.780 4.460 -0.000 0.000 0.421 537 C C 2.399 177.535 174.990 0.244 0.000 1.334 537 C CA -0.375 58.805 59.018 0.270 0.000 1.885 537 C CB -0.179 27.630 27.740 0.114 0.000 2.645 537 C HN 0.640 nan 8.230 nan 0.000 0.601 538 V N 3.567 123.654 119.914 0.288 0.000 2.332 538 V HA -0.058 4.062 4.120 -0.000 0.000 0.248 538 V C 1.847 178.014 176.094 0.121 0.000 1.055 538 V CA 2.476 64.900 62.300 0.207 0.000 1.038 538 V CB -1.304 30.648 31.823 0.214 0.000 0.651 538 V HN 1.112 nan 8.190 nan 0.000 0.450 539 G N -0.715 108.142 108.800 0.096 0.000 3.387 539 G HA2 0.510 4.470 3.960 -0.000 0.000 0.195 539 G HA3 0.510 4.470 3.960 -0.000 0.000 0.195 539 G C -0.152 174.783 174.900 0.058 0.000 1.853 539 G CA 0.624 45.764 45.100 0.067 0.000 0.879 539 G HN 0.777 nan 8.290 nan 0.000 0.651 540 S N -1.769 113.957 115.700 0.043 0.000 2.558 540 S HA 0.561 5.031 4.470 -0.000 0.000 0.277 540 S C -1.877 172.736 174.600 0.023 0.000 1.143 540 S CA -0.624 57.596 58.200 0.034 0.000 0.865 540 S CB 1.807 65.027 63.200 0.034 0.000 1.102 540 S HN 1.333 nan 8.310 nan 0.000 0.454 541 L N 1.964 123.196 121.223 0.016 0.000 2.661 541 L HA 0.745 5.084 4.340 -0.000 0.000 0.263 541 L C -1.799 175.075 176.870 0.007 0.000 0.956 541 L CA -0.159 54.687 54.840 0.009 0.000 0.918 541 L CB 1.579 43.636 42.059 -0.003 0.000 1.280 541 L HN 0.797 nan 8.230 nan 0.000 0.416 542 V N 4.591 124.510 119.914 0.010 0.000 2.815 542 V HA 0.745 4.865 4.120 -0.000 0.000 0.314 542 V C -0.649 175.450 176.094 0.008 0.000 1.064 542 V CA -0.794 61.511 62.300 0.008 0.000 0.952 542 V CB 2.194 34.023 31.823 0.011 0.000 1.020 542 V HN 0.409 nan 8.190 nan 0.000 0.439 543 V N 3.983 123.901 119.914 0.007 0.000 2.439 543 V HA 0.395 4.515 4.120 -0.000 0.000 0.277 543 V C -0.130 175.969 176.094 0.009 0.000 1.008 543 V CA -0.751 61.554 62.300 0.009 0.000 0.846 543 V CB 1.060 32.888 31.823 0.009 0.000 1.031 543 V HN 1.027 nan 8.190 nan 0.000 0.441 544 K N 1.505 121.911 120.400 0.010 0.000 2.280 544 K HA 0.802 5.122 4.320 -0.000 0.000 0.234 544 K C -0.003 176.604 176.600 0.011 0.000 1.028 544 K CA -0.626 55.666 56.287 0.010 0.000 0.882 544 K CB 1.885 34.391 32.500 0.009 0.000 1.194 544 K HN 0.339 nan 8.250 nan 0.000 0.458 545 S N -0.811 114.896 115.700 0.011 0.000 2.565 545 S HA 0.231 4.701 4.470 -0.000 0.000 0.276 545 S C 0.996 175.602 174.600 0.011 0.000 1.326 545 S CA -0.182 58.025 58.200 0.012 0.000 1.045 545 S CB 0.515 63.723 63.200 0.012 0.000 0.918 545 S HN 0.738 nan 8.310 nan 0.000 0.505 546 G N 2.696 111.502 108.800 0.011 0.000 2.494 546 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 546 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 546 G C 0.474 175.379 174.900 0.009 0.000 1.140 546 G CA 0.067 45.173 45.100 0.010 0.000 0.801 546 G HN 0.642 nan 8.290 nan 0.000 0.536 547 Q N 0.906 120.712 119.800 0.009 0.000 2.428 547 Q HA 0.239 4.579 4.340 -0.000 0.000 0.276 547 Q C 1.057 177.062 176.000 0.008 0.000 1.059 547 Q CA 0.281 56.089 55.803 0.008 0.000 0.923 547 Q CB 0.798 29.541 28.738 0.009 0.000 1.283 547 Q HN 0.276 nan 8.270 nan 0.000 0.447 548 S N 1.590 117.294 115.700 0.007 0.000 3.811 548 S HA 0.091 4.561 4.470 -0.000 0.000 0.205 548 S C 0.612 175.216 174.600 0.007 0.000 1.445 548 S CA 0.254 58.458 58.200 0.007 0.000 1.097 548 S CB -0.417 62.787 63.200 0.006 0.000 1.350 548 S HN 0.796 nan 8.310 nan 0.000 0.471 549 E N 0.797 121.002 120.200 0.008 0.000 3.871 549 E HA -0.443 3.907 4.350 -0.000 0.000 0.238 549 E C 0.061 176.666 176.600 0.009 0.000 1.237 549 E CA 1.951 58.357 56.400 0.009 0.000 2.074 549 E CB -1.971 27.734 29.700 0.008 0.000 1.805 549 E HN 0.593 nan 8.360 nan 0.000 0.314 550 D N 0.039 120.443 120.400 0.008 0.000 3.307 550 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 550 D C 0.744 177.050 176.300 0.009 0.000 1.363 550 D CA 2.344 56.348 54.000 0.008 0.000 1.100 550 D CB -1.044 39.761 40.800 0.007 0.000 0.616 550 D HN 0.700 nan 8.370 nan 0.000 0.719 551 R N 0.391 120.896 120.500 0.009 0.000 2.751 551 R HA 0.599 4.939 4.340 -0.000 0.000 0.217 551 R C 0.090 176.398 176.300 0.013 0.000 1.436 551 R CA -0.788 55.318 56.100 0.011 0.000 1.006 551 R CB 0.236 30.541 30.300 0.008 0.000 2.065 551 R HN 0.415 nan 8.270 nan 0.000 0.525 552 Q N 0.577 120.385 119.800 0.015 0.000 2.222 552 Q HA 0.377 4.717 4.340 -0.000 0.000 0.252 552 Q C -2.137 173.869 176.000 0.011 0.000 0.926 552 Q CA -2.076 53.737 55.803 0.018 0.000 0.899 552 Q CB 1.349 30.103 28.738 0.026 0.000 1.250 552 Q HN 0.408 nan 8.270 nan 0.000 0.441 553 P HA 0.064 nan 4.420 nan 0.000 0.272 553 P C -1.126 176.173 177.300 -0.002 0.000 1.254 553 P CA -0.261 62.843 63.100 0.006 0.000 0.795 553 P CB 0.524 32.231 31.700 0.011 0.000 1.022 554 V N 1.012 120.922 119.914 -0.006 0.000 2.656 554 V HA 0.311 4.431 4.120 -0.000 0.000 0.307 554 V C -2.358 173.728 176.094 -0.014 0.000 1.051 554 V CA -1.941 60.350 62.300 -0.016 0.000 0.893 554 V CB 1.540 33.353 31.823 -0.017 0.000 0.999 554 V HN 0.493 nan 8.190 nan 0.000 0.426 555 P HA 0.172 nan 4.420 nan 0.000 0.255 555 P C 0.662 177.954 177.300 -0.013 0.000 1.173 555 P CA 1.486 64.575 63.100 -0.018 0.000 0.780 555 P CB -0.067 31.616 31.700 -0.029 0.000 0.758 556 G N 1.712 110.508 108.800 -0.007 0.000 2.270 556 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.224 556 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.224 556 G C -0.386 174.512 174.900 -0.004 0.000 1.079 556 G CA -0.464 44.632 45.100 -0.005 0.000 0.807 556 G HN 0.667 nan 8.290 nan 0.000 0.492 557 Q N -0.585 119.214 119.800 -0.002 0.000 2.413 557 Q HA 0.565 4.905 4.340 -0.000 0.000 0.276 557 Q C -0.204 175.797 176.000 0.002 0.000 1.099 557 Q CA -0.826 54.977 55.803 -0.001 0.000 0.814 557 Q CB 1.344 30.081 28.738 -0.001 0.000 1.379 557 Q HN 0.446 nan 8.270 nan 0.000 0.436 558 Q N 2.964 122.765 119.800 0.002 0.000 2.286 558 Q HA 0.402 4.741 4.340 -0.000 0.000 0.257 558 Q C -0.556 175.447 176.000 0.005 0.000 0.941 558 Q CA 0.014 55.819 55.803 0.004 0.000 0.912 558 Q CB 1.155 29.895 28.738 0.003 0.000 1.192 558 Q HN 0.555 nan 8.270 nan 0.000 0.410 559 M N -0.733 118.871 119.600 0.007 0.000 2.386 559 M HA 0.527 5.007 4.480 -0.000 0.000 0.293 559 M C -0.971 175.335 176.300 0.009 0.000 1.120 559 M CA -0.806 54.499 55.300 0.009 0.000 0.909 559 M CB 2.114 34.720 32.600 0.011 0.000 1.661 559 M HN 0.185 nan 8.290 nan 0.000 0.452 560 T N 3.279 117.839 114.554 0.009 0.000 2.913 560 T HA 0.510 4.860 4.350 -0.000 0.000 0.297 560 T C -0.820 173.886 174.700 0.011 0.000 1.029 560 T CA -0.309 61.796 62.100 0.009 0.000 1.104 560 T CB 0.876 69.749 68.868 0.008 0.000 0.964 560 T HN 0.577 nan 8.240 nan 0.000 0.532 561 L N 3.459 124.689 121.223 0.011 0.000 2.388 561 L HA 0.437 4.777 4.340 -0.000 0.000 0.267 561 L C -0.195 176.683 176.870 0.012 0.000 0.995 561 L CA -0.491 54.356 54.840 0.012 0.000 0.864 561 L CB 1.035 43.102 42.059 0.013 0.000 1.216 561 L HN 0.485 nan 8.230 nan 0.000 0.430 562 K N 5.351 125.758 120.400 0.012 0.000 2.276 562 K HA 0.510 4.830 4.320 -0.000 0.000 0.283 562 K C -1.072 175.535 176.600 0.013 0.000 1.044 562 K CA -0.234 56.060 56.287 0.012 0.000 0.944 562 K CB 0.553 33.060 32.500 0.012 0.000 1.012 562 K HN 0.666 nan 8.250 nan 0.000 0.472 563 I N 4.449 125.027 120.570 0.014 0.000 2.439 563 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 563 I C -0.691 175.436 176.117 0.016 0.000 1.021 563 I CA -0.578 60.730 61.300 0.014 0.000 1.091 563 I CB 1.870 39.878 38.000 0.013 0.000 1.242 563 I HN 0.581 nan 8.210 nan 0.000 0.439 564 E N 5.366 125.576 120.200 0.017 0.000 2.063 564 E HA 0.536 4.886 4.350 -0.000 0.000 0.265 564 E C 0.052 176.665 176.600 0.022 0.000 0.919 564 E CA -0.367 56.045 56.400 0.020 0.000 0.756 564 E CB 1.934 31.646 29.700 0.019 0.000 1.120 564 E HN 0.795 nan 8.360 nan 0.000 0.414 565 G N 2.252 111.068 108.800 0.026 0.000 3.222 565 G HA2 0.261 4.221 3.960 -0.000 0.000 0.263 565 G HA3 0.261 4.221 3.960 -0.000 0.000 0.263 565 G C -0.820 174.104 174.900 0.041 0.000 1.312 565 G CA -0.633 44.483 45.100 0.027 0.000 0.934 565 G HN 0.275 nan 8.290 nan 0.000 0.577 566 D N -0.307 120.118 120.400 0.042 0.000 2.329 566 D HA 0.320 4.960 4.640 -0.000 0.000 0.246 566 D C -0.035 176.312 176.300 0.079 0.000 1.111 566 D CA 0.017 54.056 54.000 0.065 0.000 0.941 566 D CB 1.216 42.050 40.800 0.057 0.000 1.169 566 D HN 0.387 nan 8.370 nan 0.000 0.441 567 H N -0.594 118.487 119.070 0.018 0.000 2.815 567 H HA 0.329 4.885 4.556 -0.000 0.000 0.350 567 H C 1.407 176.746 175.328 0.018 0.000 1.080 567 H CA 1.207 57.265 56.048 0.017 0.000 1.433 567 H CB 0.473 30.244 29.762 0.016 0.000 1.432 567 H HN 0.574 nan 8.280 nan 0.000 0.592 568 G N 2.313 110.717 108.800 -0.660 0.000 2.175 568 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.265 568 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.265 568 G C 0.312 175.119 174.900 -0.156 0.000 0.979 568 G CA 0.467 45.313 45.100 -0.423 0.000 0.663 568 G HN 0.946 nan 8.290 nan 0.000 0.533 569 A N -0.325 122.436 122.820 -0.099 0.000 2.327 569 A HA 0.763 5.083 4.320 -0.000 0.000 0.283 569 A C 0.616 178.183 177.584 -0.028 0.000 1.127 569 A CA 0.209 52.226 52.037 -0.034 0.000 0.810 569 A CB 0.492 19.489 19.000 -0.005 0.000 1.066 569 A HN 0.788 nan 8.150 nan 0.000 0.492 570 R N 1.891 122.389 120.500 -0.003 0.000 2.297 570 R HA 0.516 4.856 4.340 -0.000 0.000 0.308 570 R C -1.612 174.704 176.300 0.027 0.000 1.029 570 R CA -0.249 55.854 56.100 0.006 0.000 0.929 570 R CB 0.792 31.099 30.300 0.011 0.000 1.046 570 R HN 0.419 nan 8.270 nan 0.000 0.461 571 V N 6.726 126.653 119.914 0.021 0.000 2.326 571 V HA 0.204 4.324 4.120 -0.000 0.000 0.281 571 V C -0.214 175.902 176.094 0.038 0.000 1.015 571 V CA -0.801 61.518 62.300 0.031 0.000 0.823 571 V CB 1.306 33.140 31.823 0.018 0.000 1.009 571 V HN 0.642 nan 8.190 nan 0.000 0.436 572 V N 4.880 124.834 119.914 0.067 0.000 2.432 572 V HA 0.650 4.770 4.120 -0.000 0.000 0.275 572 V C -0.165 175.968 176.094 0.066 0.000 1.043 572 V CA -0.377 61.962 62.300 0.065 0.000 0.925 572 V CB 0.980 32.858 31.823 0.091 0.000 0.985 572 V HN 0.601 nan 8.190 nan 0.000 0.466 573 L N 4.792 126.042 121.223 0.046 0.000 2.335 573 L HA 0.935 5.275 4.340 -0.000 0.000 0.268 573 L C -0.245 176.656 176.870 0.051 0.000 1.016 573 L CA -1.096 53.771 54.840 0.045 0.000 0.805 573 L CB 2.003 44.081 42.059 0.032 0.000 1.311 573 L HN 0.657 nan 8.230 nan 0.000 0.456 574 V N 0.162 120.109 119.914 0.054 0.000 2.881 574 V HA 0.624 4.744 4.120 -0.000 0.000 0.275 574 V C -1.595 174.540 176.094 0.067 0.000 1.518 574 V CA -0.321 62.016 62.300 0.061 0.000 0.936 574 V CB 1.768 33.638 31.823 0.078 0.000 1.165 574 V HN 0.870 nan 8.190 nan 0.000 0.447 575 A N 5.948 128.805 122.820 0.062 0.000 2.304 575 A HA 0.951 5.271 4.320 -0.000 0.000 0.323 575 A C -0.994 176.639 177.584 0.082 0.000 1.195 575 A CA -0.534 51.545 52.037 0.071 0.000 0.826 575 A CB 1.845 20.878 19.000 0.054 0.000 1.184 575 A HN 1.493 nan 8.150 nan 0.000 0.496 576 V N 2.320 122.308 119.914 0.123 0.000 2.709 576 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 576 V C -0.622 175.572 176.094 0.166 0.000 1.062 576 V CA -0.852 61.524 62.300 0.127 0.000 0.901 576 V CB 1.958 33.890 31.823 0.182 0.000 1.003 576 V HN 0.973 nan 8.190 nan 0.000 0.425 577 D N 3.104 123.557 120.400 0.089 0.000 2.417 577 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 577 D C 1.079 177.483 176.300 0.173 0.000 1.166 577 D CA 0.146 54.210 54.000 0.107 0.000 0.881 577 D CB 1.261 42.096 40.800 0.059 0.000 1.164 577 D HN 0.511 nan 8.370 nan 0.000 0.467 578 K N 2.201 122.740 120.400 0.232 0.000 2.360 578 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 578 K C 1.778 178.514 176.600 0.227 0.000 1.046 578 K CA 0.808 57.292 56.287 0.328 0.000 0.945 578 K CB 0.071 32.680 32.500 0.183 0.000 0.750 578 K HN 0.521 nan 8.250 nan 0.000 0.464 579 G N 0.796 109.666 108.800 0.117 0.000 2.498 579 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 579 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 579 G C 1.440 176.324 174.900 -0.027 0.000 1.119 579 G CA 0.318 45.447 45.100 0.047 0.000 0.766 579 G HN 0.086 nan 8.290 nan 0.000 0.552 580 V N 0.165 120.025 119.914 -0.091 0.000 2.407 580 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 580 V C 2.296 178.186 176.094 -0.340 0.000 1.041 580 V CA 1.135 63.256 62.300 -0.299 0.000 1.040 580 V CB -0.581 30.949 31.823 -0.488 0.000 0.671 580 V HN 0.359 nan 8.190 nan 0.000 0.455 581 F N -0.276 119.631 119.950 -0.073 0.000 2.546 581 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 581 F C 2.110 177.868 175.800 -0.070 0.000 1.120 581 F CA 0.635 58.597 58.000 -0.062 0.000 1.456 581 F CB -0.856 38.124 39.000 -0.033 0.000 1.088 581 F HN -0.036 nan 8.300 nan 0.000 0.572 582 V N -0.415 119.532 119.914 0.055 0.000 2.626 582 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 582 V C 1.932 177.987 176.094 -0.064 0.000 1.067 582 V CA 1.402 63.697 62.300 -0.009 0.000 1.081 582 V CB -0.423 31.371 31.823 -0.048 0.000 0.686 582 V HN 0.249 nan 8.190 nan 0.000 0.468 583 L N -0.568 120.577 121.223 -0.130 0.000 2.408 583 L HA 0.320 4.660 4.340 -0.000 0.000 0.215 583 L C 0.691 177.478 176.870 -0.140 0.000 1.081 583 L CA 0.818 55.552 54.840 -0.177 0.000 0.840 583 L CB -0.137 41.720 42.059 -0.338 0.000 1.002 583 L HN 0.371 nan 8.230 nan 0.000 0.468 584 N N 0.172 118.803 118.700 -0.116 0.000 2.648 584 N HA 0.113 4.853 4.740 -0.000 0.000 0.272 584 N C -0.700 174.828 175.510 0.029 0.000 1.118 584 N CA -0.169 52.846 53.050 -0.057 0.000 0.973 584 N CB 1.116 39.547 38.487 -0.094 0.000 1.565 584 N HN 0.178 nan 8.380 nan 0.000 0.542 585 K N 1.357 121.821 120.400 0.107 0.000 2.618 585 K HA 0.376 4.696 4.320 -0.000 0.000 0.207 585 K C -0.352 176.343 176.600 0.158 0.000 1.058 585 K CA -0.418 56.005 56.287 0.226 0.000 1.086 585 K CB 0.472 33.083 32.500 0.183 0.000 0.827 585 K HN 0.182 nan 8.250 nan 0.000 0.481 586 K N 1.031 121.502 120.400 0.118 0.000 2.123 586 K HA 0.308 4.628 4.320 -0.000 0.000 0.248 586 K C -0.388 176.286 176.600 0.124 0.000 0.969 586 K CA -0.775 55.573 56.287 0.102 0.000 0.882 586 K CB 0.994 33.539 32.500 0.075 0.000 1.080 586 K HN 0.261 nan 8.250 nan 0.000 0.441 587 N N 0.361 119.131 118.700 0.117 0.000 2.850 587 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 587 N C -1.177 174.420 175.510 0.144 0.000 1.060 587 N CA 0.464 53.594 53.050 0.134 0.000 0.825 587 N CB -0.801 37.779 38.487 0.155 0.000 1.132 587 N HN 0.429 nan 8.380 nan 0.000 0.564 588 K N 1.181 121.664 120.400 0.138 0.000 2.379 588 K HA 0.186 4.506 4.320 -0.000 0.000 0.284 588 K C 0.015 176.667 176.600 0.085 0.000 1.044 588 K CA -0.474 55.896 56.287 0.139 0.000 0.974 588 K CB 0.799 33.383 32.500 0.140 0.000 0.962 588 K HN 0.058 nan 8.250 nan 0.000 0.474 589 L N 3.552 124.820 121.223 0.075 0.000 2.433 589 L HA 0.073 4.413 4.340 -0.000 0.000 0.275 589 L C -0.613 176.228 176.870 -0.049 0.000 1.128 589 L CA 1.136 55.981 54.840 0.009 0.000 0.875 589 L CB 0.299 42.360 42.059 0.003 0.000 1.171 589 L HN 0.556 nan 8.230 nan 0.000 0.463 590 T N 3.510 118.015 114.554 -0.082 0.000 2.900 590 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 590 T C 0.473 175.070 174.700 -0.172 0.000 1.044 590 T CA -0.272 61.770 62.100 -0.096 0.000 0.995 590 T CB 1.847 70.691 68.868 -0.039 0.000 1.072 590 T HN 0.559 nan 8.240 nan 0.000 0.473 591 Q N 1.569 121.265 119.800 -0.172 0.000 2.135 591 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 591 Q C 2.352 178.255 176.000 -0.160 0.000 0.981 591 Q CA 2.184 57.838 55.803 -0.248 0.000 0.856 591 Q CB -0.536 28.118 28.738 -0.140 0.000 0.902 591 Q HN 0.659 nan 8.270 nan 0.000 0.425 592 S N -0.566 115.133 115.700 -0.001 0.000 2.383 592 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 592 S C 1.609 176.249 174.600 0.066 0.000 1.030 592 S CA 1.461 59.724 58.200 0.105 0.000 1.002 592 S CB -0.120 63.134 63.200 0.090 0.000 0.829 592 S HN 0.473 nan 8.310 nan 0.000 0.467 593 K N 0.306 120.698 120.400 -0.013 0.000 2.217 593 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 593 K C 1.943 178.517 176.600 -0.043 0.000 1.051 593 K CA 1.113 57.401 56.287 0.003 0.000 0.952 593 K CB -0.189 32.314 32.500 0.005 0.000 0.736 593 K HN 0.448 nan 8.250 nan 0.000 0.453 594 I N -0.416 120.000 120.570 -0.257 0.000 2.163 594 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 594 I C 1.939 177.907 176.117 -0.248 0.000 1.081 594 I CA 1.482 62.495 61.300 -0.480 0.000 1.353 594 I CB -0.350 37.062 38.000 -0.979 0.000 1.054 594 I HN 0.283 nan 8.210 nan 0.000 0.407 595 W N 1.199 122.453 121.300 -0.076 0.000 2.350 595 W HA -0.252 4.408 4.660 -0.000 0.000 0.289 595 W C 2.288 178.820 176.519 0.021 0.000 1.215 595 W CA 0.699 58.031 57.345 -0.021 0.000 1.236 595 W CB -0.411 29.050 29.460 0.002 0.000 1.130 595 W HN 0.227 nan 8.180 nan 0.000 0.541 596 D N 0.256 120.796 120.400 0.233 0.000 2.123 596 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 596 D C 1.962 178.362 176.300 0.167 0.000 0.992 596 D CA 1.592 55.698 54.000 0.177 0.000 0.833 596 D CB -0.280 40.601 40.800 0.135 0.000 0.954 596 D HN -0.017 nan 8.370 nan 0.000 0.455 597 V N -0.113 119.902 119.914 0.169 0.000 2.358 597 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 597 V C 2.720 178.920 176.094 0.176 0.000 1.047 597 V CA 1.193 63.612 62.300 0.199 0.000 1.035 597 V CB -0.361 31.630 31.823 0.279 0.000 0.658 597 V HN 0.110 nan 8.190 nan 0.000 0.452 598 V N -0.136 119.819 119.914 0.069 0.000 2.295 598 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 598 V C 2.628 178.866 176.094 0.239 0.000 1.049 598 V CA 2.176 64.529 62.300 0.090 0.000 1.024 598 V CB -0.570 31.349 31.823 0.160 0.000 0.648 598 V HN 0.554 nan 8.190 nan 0.000 0.447 599 E N 0.833 121.169 120.200 0.227 0.000 2.107 599 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 599 E C 1.551 178.231 176.600 0.133 0.000 0.982 599 E CA 0.835 57.346 56.400 0.186 0.000 0.809 599 E CB -0.047 29.759 29.700 0.176 0.000 0.756 599 E HN 0.528 nan 8.360 nan 0.000 0.459 600 K N 0.006 120.487 120.400 0.136 0.000 3.165 600 K HA 0.163 4.483 4.320 -0.000 0.000 0.270 600 K C 0.242 176.923 176.600 0.134 0.000 1.111 600 K CA 0.297 56.647 56.287 0.103 0.000 1.216 600 K CB 0.270 32.827 32.500 0.095 0.000 1.229 600 K HN 0.019 nan 8.250 nan 0.000 0.435 601 A N 0.315 123.231 122.820 0.160 0.000 2.653 601 A HA 0.061 4.381 4.320 -0.000 0.000 0.231 601 A C -0.628 177.050 177.584 0.156 0.000 1.146 601 A CA -0.483 51.664 52.037 0.183 0.000 1.024 601 A CB 0.357 19.547 19.000 0.316 0.000 1.202 601 A HN 0.208 nan 8.150 nan 0.000 0.543 602 D N 0.739 121.213 120.400 0.124 0.000 2.443 602 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 602 D C 1.690 178.029 176.300 0.066 0.000 1.136 602 D CA 0.190 54.250 54.000 0.101 0.000 0.879 602 D CB 0.647 41.489 40.800 0.069 0.000 1.195 602 D HN 0.516 nan 8.370 nan 0.000 0.443 603 I N -1.081 119.529 120.570 0.067 0.000 3.291 603 I HA 0.180 4.350 4.170 -0.000 0.000 0.279 603 I C 0.942 177.086 176.117 0.044 0.000 1.294 603 I CA 0.030 61.360 61.300 0.050 0.000 1.428 603 I CB -0.235 37.795 38.000 0.050 0.000 1.070 603 I HN 0.105 nan 8.210 nan 0.000 0.478 604 G N -0.309 108.513 108.800 0.037 0.000 2.389 604 G HA2 0.460 4.420 3.960 -0.000 0.000 0.317 604 G HA3 0.460 4.420 3.960 -0.000 0.000 0.317 604 G C -0.051 174.836 174.900 -0.021 0.000 1.137 604 G CA -0.411 44.700 45.100 0.019 0.000 0.870 604 G HN 0.308 nan 8.290 nan 0.000 0.496 605 c N -0.488 118.101 118.600 -0.018 0.000 2.503 605 c HA 0.284 4.854 4.570 -0.000 0.000 0.344 605 c C 1.393 175.453 174.090 -0.050 0.000 1.610 605 c CA 0.334 56.641 56.329 -0.036 0.000 2.351 605 c CB -0.249 42.261 42.510 -0.000 0.000 2.044 605 c HN 0.623 nan 8.230 nan 0.000 0.680 606 T N 3.738 118.295 114.554 0.005 0.000 2.902 606 T HA 0.090 4.440 4.350 -0.000 0.000 0.301 606 T C -1.664 173.036 174.700 0.001 0.000 1.012 606 T CA 0.070 62.193 62.100 0.038 0.000 1.151 606 T CB 0.549 69.488 68.868 0.119 0.000 0.946 606 T HN 0.297 nan 8.240 nan 0.000 0.542 607 P HA 0.116 nan 4.420 nan 0.000 0.231 607 P C 0.476 177.834 177.300 0.096 0.000 1.158 607 P CA 0.673 63.773 63.100 -0.000 0.000 0.763 607 P CB 0.001 31.720 31.700 0.032 0.000 0.805 608 G N -2.673 106.185 108.800 0.097 0.000 2.352 608 G HA2 0.366 4.326 3.960 -0.000 0.000 0.303 608 G HA3 0.366 4.326 3.960 -0.000 0.000 0.303 608 G C -0.789 174.187 174.900 0.127 0.000 1.593 608 G CA -0.013 45.138 45.100 0.085 0.000 0.963 608 G HN 0.077 nan 8.290 nan 0.000 0.685 609 S N -1.581 114.157 115.700 0.064 0.000 3.795 609 S HA 0.425 4.895 4.470 -0.000 0.000 0.682 609 S C 0.809 175.423 174.600 0.023 0.000 1.792 609 S CA 1.486 59.727 58.200 0.069 0.000 1.892 609 S CB -0.825 62.482 63.200 0.179 0.000 0.343 609 S HN 2.824 nan 8.310 nan 0.000 1.341 610 G N 0.688 109.385 108.800 -0.172 0.000 2.815 610 G HA2 0.582 4.542 3.960 -0.000 0.000 0.305 610 G HA3 0.582 4.542 3.960 -0.000 0.000 0.305 610 G C 0.072 174.276 174.900 -1.160 0.000 1.277 610 G CA 0.155 44.839 45.100 -0.693 0.000 0.795 610 G HN 1.033 nan 8.290 nan 0.000 0.528 611 K N -0.897 118.916 120.400 -0.979 0.000 2.361 611 K HA 0.231 4.551 4.320 -0.000 0.000 0.196 611 K C 0.065 176.415 176.600 -0.417 0.000 1.039 611 K CA 1.320 57.275 56.287 -0.554 0.000 1.001 611 K CB 0.054 32.415 32.500 -0.233 0.000 0.795 611 K HN 0.508 nan 8.250 nan 0.000 0.495 612 D N -0.856 119.309 120.400 -0.393 0.000 2.970 612 D HA -0.071 4.569 4.640 -0.000 0.000 0.344 612 D C 0.692 176.926 176.300 -0.110 0.000 1.365 612 D CA -0.692 53.006 54.000 -0.505 0.000 0.910 612 D CB -0.214 40.371 40.800 -0.358 0.000 1.445 612 D HN -0.015 nan 8.370 nan 0.000 0.532 613 Y N -0.697 119.561 120.300 -0.070 0.000 2.200 613 Y HA 0.315 4.865 4.550 -0.000 0.000 0.290 613 Y C 2.056 178.069 175.900 0.188 0.000 1.137 613 Y CA 1.494 59.668 58.100 0.122 0.000 1.163 613 Y CB -0.987 37.498 38.460 0.041 0.000 0.988 613 Y HN 0.390 nan 8.280 nan 0.000 0.518 614 A N 0.766 123.080 122.820 -0.844 0.000 2.206 614 A HA 0.226 4.546 4.320 -0.000 0.000 0.211 614 A C 2.225 179.727 177.584 -0.138 0.000 1.158 614 A CA 0.898 52.644 52.037 -0.486 0.000 0.761 614 A CB -1.269 17.282 19.000 -0.748 0.000 0.801 614 A HN 0.649 nan 8.150 nan 0.000 0.473 615 G N -0.853 107.865 108.800 -0.137 0.000 2.510 615 G HA2 0.076 4.036 3.960 -0.000 0.000 0.212 615 G HA3 0.076 4.036 3.960 -0.000 0.000 0.212 615 G C 1.358 176.241 174.900 -0.029 0.000 1.151 615 G CA 0.915 45.959 45.100 -0.093 0.000 0.817 615 G HN 0.219 nan 8.290 nan 0.000 0.534 616 V N 0.846 120.750 119.914 -0.017 0.000 2.332 616 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 616 V C 2.463 178.500 176.094 -0.095 0.000 1.055 616 V CA 1.599 63.853 62.300 -0.078 0.000 1.038 616 V CB -0.673 31.062 31.823 -0.147 0.000 0.651 616 V HN 0.309 nan 8.190 nan 0.000 0.450 617 F N 0.731 120.679 119.950 -0.003 0.000 2.051 617 F HA -0.157 4.370 4.527 -0.000 0.000 0.296 617 F C 2.772 178.589 175.800 0.028 0.000 1.122 617 F CA 1.992 60.009 58.000 0.028 0.000 1.201 617 F CB -0.971 38.050 39.000 0.035 0.000 0.978 617 F HN -0.008 nan 8.300 nan 0.000 0.472 618 S N -0.211 115.615 115.700 0.209 0.000 2.383 618 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 618 S C 1.479 176.126 174.600 0.079 0.000 1.030 618 S CA 1.663 59.932 58.200 0.115 0.000 1.002 618 S CB -0.453 62.784 63.200 0.062 0.000 0.829 618 S HN 0.341 nan 8.310 nan 0.000 0.467 619 D N 1.265 121.699 120.400 0.057 0.000 2.224 619 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 619 D C 1.922 178.248 176.300 0.043 0.000 0.965 619 D CA 0.960 54.985 54.000 0.043 0.000 0.852 619 D CB -0.280 40.540 40.800 0.033 0.000 0.947 619 D HN 0.416 nan 8.370 nan 0.000 0.494 620 A N -0.384 122.466 122.820 0.050 0.000 1.984 620 A HA 0.444 4.764 4.320 -0.000 0.000 0.214 620 A C 1.642 179.277 177.584 0.086 0.000 1.173 620 A CA 1.185 53.256 52.037 0.057 0.000 0.673 620 A CB 0.102 19.124 19.000 0.035 0.000 0.830 620 A HN 0.253 nan 8.150 nan 0.000 0.453 621 G N -1.247 107.617 108.800 0.107 0.000 2.247 621 G HA2 0.017 3.977 3.960 -0.000 0.000 0.111 621 G HA3 0.017 3.977 3.960 -0.000 0.000 0.111 621 G C -0.452 174.536 174.900 0.148 0.000 1.045 621 G CA -0.093 45.074 45.100 0.112 0.000 0.715 621 G HN 0.407 nan 8.290 nan 0.000 0.485 622 L N 0.304 121.650 121.223 0.204 0.000 2.393 622 L HA 0.831 5.171 4.340 -0.000 0.000 0.260 622 L C 0.133 177.151 176.870 0.247 0.000 1.002 622 L CA -0.748 54.250 54.840 0.264 0.000 0.818 622 L CB 2.655 44.961 42.059 0.412 0.000 1.369 622 L HN 0.331 nan 8.230 nan 0.000 0.412 623 T N -1.191 113.456 114.554 0.155 0.000 2.912 623 T HA 0.434 4.784 4.350 -0.000 0.000 0.326 623 T C -0.838 173.823 174.700 -0.064 0.000 1.080 623 T CA -0.350 61.777 62.100 0.045 0.000 1.000 623 T CB 0.440 69.327 68.868 0.031 0.000 1.008 623 T HN 0.279 nan 8.240 nan 0.000 0.473 624 F N 3.403 123.074 119.950 -0.465 0.000 2.420 624 F HA 0.594 5.121 4.527 -0.000 0.000 0.352 624 F C -0.178 175.422 175.800 -0.333 0.000 1.108 624 F CA 0.107 57.730 58.000 -0.629 0.000 1.162 624 F CB 1.031 39.130 39.000 -1.502 0.000 1.118 624 F HN 0.644 nan 8.300 nan 0.000 0.510 625 T N 4.532 118.626 114.554 -0.766 0.000 2.971 625 T HA 0.491 4.841 4.350 -0.000 0.000 0.304 625 T C -0.875 173.492 174.700 -0.555 0.000 1.038 625 T CA -0.805 61.016 62.100 -0.464 0.000 1.007 625 T CB 1.473 70.212 68.868 -0.215 0.000 1.055 625 T HN 0.659 nan 8.240 nan 0.000 0.451 626 S N 0.577 116.074 115.700 -0.337 0.000 2.810 626 S HA 0.664 5.134 4.470 -0.000 0.000 0.315 626 S C 1.097 175.655 174.600 -0.070 0.000 1.138 626 S CA -0.189 57.880 58.200 -0.218 0.000 0.889 626 S CB 1.404 64.515 63.200 -0.149 0.000 1.236 626 S HN 0.667 nan 8.310 nan 0.000 0.548 627 S N -0.292 115.393 115.700 -0.025 0.000 2.548 627 S HA 0.128 4.598 4.470 -0.000 0.000 0.215 627 S C 1.228 175.837 174.600 0.016 0.000 0.976 627 S CA 0.311 58.525 58.200 0.023 0.000 0.908 627 S CB -0.513 62.739 63.200 0.087 0.000 0.781 627 S HN 0.536 nan 8.310 nan 0.000 0.519 628 S N 0.844 116.546 115.700 0.003 0.000 2.496 628 S HA 0.423 4.893 4.470 -0.000 0.000 0.224 628 S C 1.646 176.251 174.600 0.007 0.000 0.996 628 S CA 0.668 58.869 58.200 0.002 0.000 0.927 628 S CB 0.050 63.246 63.200 -0.007 0.000 0.774 628 S HN 0.961 nan 8.310 nan 0.000 0.524 629 G N 0.564 109.374 108.800 0.015 0.000 2.428 629 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.199 629 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.199 629 G C -0.258 174.674 174.900 0.053 0.000 1.005 629 G CA -0.756 44.358 45.100 0.023 0.000 0.671 629 G HN 0.416 nan 8.290 nan 0.000 0.485 630 Q N 2.052 121.905 119.800 0.089 0.000 2.300 630 Q HA 0.503 4.843 4.340 -0.000 0.000 0.262 630 Q C 0.435 176.562 176.000 0.211 0.000 1.109 630 Q CA 0.538 56.465 55.803 0.206 0.000 0.905 630 Q CB 0.518 29.385 28.738 0.216 0.000 1.280 630 Q HN 0.825 nan 8.270 nan 0.000 0.426 631 Q N 0.112 119.995 119.800 0.139 0.000 2.433 631 Q HA 0.721 5.061 4.340 -0.000 0.000 0.279 631 Q C -0.601 175.398 176.000 -0.002 0.000 1.105 631 Q CA -1.089 54.742 55.803 0.046 0.000 0.815 631 Q CB 1.233 29.961 28.738 -0.015 0.000 1.403 631 Q HN 0.491 nan 8.270 nan 0.000 0.435 632 T N -1.320 113.207 114.554 -0.044 0.000 2.816 632 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 632 T C 0.547 175.207 174.700 -0.066 0.000 0.993 632 T CA -0.344 61.709 62.100 -0.078 0.000 0.994 632 T CB 0.810 69.649 68.868 -0.048 0.000 1.025 632 T HN 0.782 nan 8.240 nan 0.000 0.529 633 A N 0.898 123.678 122.820 -0.066 0.000 2.448 633 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 633 A C 0.573 178.137 177.584 -0.033 0.000 1.080 633 A CA -0.566 51.440 52.037 -0.052 0.000 0.779 633 A CB -0.155 18.817 19.000 -0.048 0.000 1.026 633 A HN 0.929 nan 8.150 nan 0.000 0.499 634 Q N 0.522 120.299 119.800 -0.038 0.000 2.314 634 Q HA 0.324 4.664 4.340 -0.000 0.000 0.258 634 Q C -0.330 175.668 176.000 -0.002 0.000 0.954 634 Q CA -0.183 55.596 55.803 -0.039 0.000 0.890 634 Q CB 0.480 29.176 28.738 -0.070 0.000 1.210 634 Q HN 0.664 nan 8.270 nan 0.000 0.410 635 R N 2.754 123.272 120.500 0.030 0.000 2.393 635 R HA 0.511 4.851 4.340 -0.000 0.000 0.315 635 R C -0.648 175.742 176.300 0.150 0.000 0.952 635 R CA 0.226 56.370 56.100 0.072 0.000 0.842 635 R CB 1.161 31.505 30.300 0.074 0.000 1.163 635 R HN 0.783 nan 8.270 nan 0.000 0.450 636 A N 4.001 126.902 122.820 0.136 0.000 1.970 636 A HA 0.178 4.498 4.320 -0.000 0.000 0.204 636 A C 0.084 177.750 177.584 0.137 0.000 1.325 636 A CA 0.080 52.247 52.037 0.216 0.000 0.767 636 A CB 0.014 19.110 19.000 0.161 0.000 0.949 636 A HN 0.720 nan 8.150 nan 0.000 0.481 637 E N 0.339 120.588 120.200 0.080 0.000 2.392 637 E HA 0.248 4.598 4.350 -0.000 0.000 0.264 637 E C 0.373 176.990 176.600 0.028 0.000 1.024 637 E CA -0.278 56.150 56.400 0.046 0.000 0.903 637 E CB 0.892 30.614 29.700 0.035 0.000 0.963 637 E HN 0.408 nan 8.360 nan 0.000 0.432 638 L N 1.670 122.896 121.223 0.006 0.000 2.049 638 L HA -0.126 4.214 4.340 -0.000 0.000 0.203 638 L C 0.862 177.733 176.870 0.003 0.000 1.074 638 L CA 1.035 55.870 54.840 -0.009 0.000 0.749 638 L CB -0.237 41.806 42.059 -0.026 0.000 0.907 638 L HN 0.465 nan 8.230 nan 0.000 0.439 639 Q N -0.796 119.007 119.800 0.005 0.000 2.317 639 Q HA 0.210 4.550 4.340 -0.000 0.000 0.229 639 Q C -0.269 175.740 176.000 0.015 0.000 0.984 639 Q CA -0.376 55.433 55.803 0.010 0.000 0.911 639 Q CB 0.957 29.698 28.738 0.005 0.000 1.217 639 Q HN 0.189 nan 8.270 nan 0.000 0.501 640 c N 2.441 121.049 118.600 0.015 0.000 2.727 640 c HA 0.187 4.757 4.570 -0.000 0.000 0.401 640 c C -1.483 172.617 174.090 0.016 0.000 1.294 640 c CA -0.899 55.439 56.329 0.016 0.000 2.134 640 c CB -1.059 41.457 42.510 0.009 0.000 2.724 640 c HN 0.709 nan 8.230 nan 0.000 0.677 641 P HA 0.121 nan 4.420 nan 0.000 0.272 641 P C -0.276 177.035 177.300 0.018 0.000 1.243 641 P CA 0.214 63.327 63.100 0.022 0.000 0.803 641 P CB 0.178 31.895 31.700 0.027 0.000 0.974 642 Q N 0.000 119.811 119.800 0.018 0.000 2.315 642 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 642 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 642 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481