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 2xwj_1_A 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 0.000 174.550 174.600 -0.083 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 2 P HA 0.376 nan 4.420 nan 0.000 0.271 2 P C -0.803 176.286 177.300 -0.351 0.000 1.238 2 P CA -0.275 62.652 63.100 -0.288 0.000 0.794 2 P CB 0.277 31.774 31.700 -0.338 0.000 0.959 3 M N 1.658 120.927 119.600 -0.552 0.000 2.164 3 M HA 0.275 4.754 4.480 -0.000 0.000 0.260 3 M C -1.984 173.988 176.300 -0.546 0.000 0.974 3 M CA -0.547 54.525 55.300 -0.380 0.000 1.020 3 M CB 0.870 33.405 32.600 -0.109 0.000 1.903 3 M HN 0.219 nan 8.290 nan 0.000 0.469 4 Y N 2.694 122.779 120.300 -0.360 0.000 2.434 4 Y HA 0.464 5.014 4.550 -0.000 0.000 0.341 4 Y C 0.651 176.189 175.900 -0.603 0.000 0.965 4 Y CA -0.458 57.178 58.100 -0.773 0.000 1.205 4 Y CB 0.957 38.448 38.460 -1.615 0.000 1.121 4 Y HN 0.631 nan 8.280 nan 0.000 0.507 5 S N 2.902 118.435 115.700 -0.278 0.000 2.687 5 S HA 0.808 5.278 4.470 -0.000 0.000 0.283 5 S C -0.928 173.561 174.600 -0.186 0.000 1.170 5 S CA -0.633 57.342 58.200 -0.376 0.000 1.008 5 S CB 2.095 64.989 63.200 -0.510 0.000 1.026 5 S HN 0.521 nan 8.310 nan 0.000 0.541 6 I N 0.170 120.545 120.570 -0.326 0.000 2.722 6 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 6 I C -1.896 174.139 176.117 -0.137 0.000 1.267 6 I CA -1.121 60.133 61.300 -0.077 0.000 1.036 6 I CB 1.665 39.692 38.000 0.044 0.000 1.281 6 I HN 0.856 nan 8.210 nan 0.000 0.423 7 I N 6.803 127.386 120.570 0.021 0.000 2.439 7 I HA 0.545 4.714 4.170 -0.000 0.000 0.285 7 I C -0.750 175.435 176.117 0.114 0.000 1.021 7 I CA -0.384 60.961 61.300 0.075 0.000 1.091 7 I CB 2.091 40.205 38.000 0.190 0.000 1.242 7 I HN 0.696 nan 8.210 nan 0.000 0.439 8 T N 3.055 117.672 114.554 0.106 0.000 2.909 8 T HA 0.556 4.906 4.350 -0.000 0.000 0.299 8 T C -2.963 171.803 174.700 0.110 0.000 1.073 8 T CA -2.461 59.711 62.100 0.120 0.000 0.999 8 T CB 2.118 71.073 68.868 0.146 0.000 1.098 8 T HN 0.061 nan 8.240 nan 0.000 0.477 9 P HA 0.126 nan 4.420 nan 0.000 0.266 9 P C 0.596 177.940 177.300 0.074 0.000 1.186 9 P CA -0.091 63.057 63.100 0.080 0.000 0.767 9 P CB 0.412 32.135 31.700 0.039 0.000 0.820 10 N N 1.407 120.152 118.700 0.075 0.000 2.205 10 N HA -0.094 4.645 4.740 -0.000 0.000 0.186 10 N C 0.503 176.039 175.510 0.043 0.000 1.015 10 N CA 1.369 54.458 53.050 0.066 0.000 0.862 10 N CB -0.278 38.249 38.487 0.067 0.000 0.986 10 N HN 0.443 nan 8.380 nan 0.000 0.429 11 I N 1.121 121.701 120.570 0.017 0.000 2.468 11 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 11 I C -0.629 175.461 176.117 -0.044 0.000 1.039 11 I CA -0.571 60.715 61.300 -0.023 0.000 1.074 11 I CB 1.994 39.967 38.000 -0.045 0.000 1.228 11 I HN -0.214 nan 8.210 nan 0.000 0.436 12 L N 6.169 127.368 121.223 -0.039 0.000 2.371 12 L HA 0.481 4.821 4.340 -0.000 0.000 0.272 12 L C 0.227 177.026 176.870 -0.118 0.000 1.124 12 L CA -0.493 54.317 54.840 -0.049 0.000 0.816 12 L CB 0.647 42.732 42.059 0.043 0.000 1.129 12 L HN 0.539 nan 8.230 nan 0.000 0.448 13 R N 2.434 122.833 120.500 -0.168 0.000 2.604 13 R HA 0.625 4.965 4.340 -0.000 0.000 0.287 13 R C -0.809 175.393 176.300 -0.163 0.000 0.970 13 R CA -0.861 55.109 56.100 -0.217 0.000 0.946 13 R CB 1.569 31.622 30.300 -0.412 0.000 1.127 13 R HN 0.455 nan 8.270 nan 0.000 0.473 14 L N 1.751 122.884 121.223 -0.150 0.000 2.439 14 L HA 0.171 4.511 4.340 -0.000 0.000 0.261 14 L C 0.504 177.319 176.870 -0.091 0.000 1.153 14 L CA -0.075 54.678 54.840 -0.144 0.000 0.808 14 L CB 0.477 42.425 42.059 -0.184 0.000 1.126 14 L HN 0.758 nan 8.230 nan 0.000 0.460 15 E N -0.009 120.146 120.200 -0.075 0.000 2.440 15 E HA -0.217 4.133 4.350 -0.000 0.000 0.246 15 E C -0.547 176.031 176.600 -0.038 0.000 1.165 15 E CA 0.596 56.966 56.400 -0.050 0.000 0.726 15 E CB -1.146 28.517 29.700 -0.061 0.000 1.271 15 E HN 0.707 nan 8.360 nan 0.000 0.397 16 S N -1.214 114.454 115.700 -0.054 0.000 2.656 16 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 16 S C -0.863 173.671 174.600 -0.110 0.000 1.168 16 S CA -1.215 56.950 58.200 -0.058 0.000 0.817 16 S CB 1.946 65.115 63.200 -0.052 0.000 1.146 16 S HN 0.136 nan 8.310 nan 0.000 0.475 17 E N 0.988 121.114 120.200 -0.123 0.000 2.092 17 E HA 0.338 4.688 4.350 -0.000 0.000 0.271 17 E C -0.971 175.466 176.600 -0.271 0.000 0.919 17 E CA -0.613 55.669 56.400 -0.197 0.000 0.760 17 E CB 1.031 30.657 29.700 -0.124 0.000 1.106 17 E HN 0.409 nan 8.360 nan 0.000 0.408 18 E N 2.318 122.220 120.200 -0.497 0.000 2.174 18 E HA 0.176 4.526 4.350 -0.000 0.000 0.282 18 E C -0.298 176.013 176.600 -0.483 0.000 0.992 18 E CA -0.336 55.776 56.400 -0.479 0.000 0.803 18 E CB 1.545 30.927 29.700 -0.529 0.000 1.090 18 E HN 0.304 nan 8.360 nan 0.000 0.396 19 T N 2.784 117.210 114.554 -0.213 0.000 2.918 19 T HA 0.276 4.626 4.350 -0.000 0.000 0.302 19 T C 0.478 175.167 174.700 -0.018 0.000 1.045 19 T CA 0.010 62.050 62.100 -0.100 0.000 1.114 19 T CB 0.415 69.267 68.868 -0.027 0.000 0.965 19 T HN 0.323 nan 8.240 nan 0.000 0.540 20 M N 3.388 123.025 119.600 0.061 0.000 2.067 20 M HA 0.381 4.860 4.480 -0.000 0.000 0.286 20 M C -1.497 174.879 176.300 0.127 0.000 0.922 20 M CA -0.656 54.732 55.300 0.148 0.000 0.937 20 M CB 0.921 33.687 32.600 0.277 0.000 1.550 20 M HN 0.306 nan 8.290 nan 0.000 0.433 21 V N 6.387 126.381 119.914 0.134 0.000 2.427 21 V HA 0.295 4.415 4.120 -0.000 0.000 0.268 21 V C -0.028 176.165 176.094 0.166 0.000 1.046 21 V CA -0.190 62.198 62.300 0.147 0.000 0.970 21 V CB 0.713 32.642 31.823 0.178 0.000 1.001 21 V HN 0.760 nan 8.190 nan 0.000 0.476 22 L N 5.733 127.060 121.223 0.172 0.000 2.322 22 L HA 0.684 5.024 4.340 -0.000 0.000 0.279 22 L C 0.102 177.110 176.870 0.229 0.000 1.036 22 L CA -0.251 54.732 54.840 0.239 0.000 0.807 22 L CB 1.562 43.763 42.059 0.236 0.000 1.226 22 L HN 0.634 nan 8.230 nan 0.000 0.433 23 E N 1.186 121.522 120.200 0.227 0.000 2.449 23 E HA 0.821 5.171 4.350 -0.000 0.000 0.278 23 E C -1.544 175.007 176.600 -0.082 0.000 0.992 23 E CA -0.990 55.469 56.400 0.098 0.000 0.807 23 E CB 2.626 32.457 29.700 0.218 0.000 1.350 23 E HN 0.602 nan 8.360 nan 0.000 0.462 24 A N 1.617 124.207 122.820 -0.383 0.000 2.488 24 A HA 0.586 4.906 4.320 -0.000 0.000 0.295 24 A C -1.707 175.377 177.584 -0.835 0.000 1.045 24 A CA -0.659 51.066 52.037 -0.520 0.000 0.703 24 A CB 1.112 19.954 19.000 -0.263 0.000 1.271 24 A HN 0.616 nan 8.150 nan 0.000 0.400 25 H N 2.584 121.482 119.070 -0.288 0.000 3.092 25 H HA 0.287 4.843 4.556 -0.000 0.000 0.308 25 H C -0.961 174.226 175.328 -0.236 0.000 1.047 25 H CA -0.489 55.449 56.048 -0.182 0.000 1.466 25 H CB 1.691 31.429 29.762 -0.041 0.000 1.597 25 H HN 0.724 nan 8.280 nan 0.000 0.512 26 D N 1.614 121.923 120.400 -0.151 0.000 2.856 26 D HA 0.285 4.924 4.640 -0.000 0.000 0.283 26 D C 1.124 177.208 176.300 -0.359 0.000 1.051 26 D CA 1.092 54.969 54.000 -0.205 0.000 0.965 26 D CB 0.362 41.114 40.800 -0.080 0.000 1.201 26 D HN 0.765 nan 8.370 nan 0.000 0.474 27 A N 0.031 122.714 122.820 -0.228 0.000 5.100 27 A HA -0.181 4.139 4.320 -0.000 0.000 0.533 27 A C -0.362 177.152 177.584 -0.116 0.000 1.142 27 A CA 0.545 52.485 52.037 -0.161 0.000 0.463 27 A CB -0.922 17.981 19.000 -0.162 0.000 3.021 27 A HN 0.191 nan 8.150 nan 0.000 0.487 28 Q N -0.785 119.020 119.800 0.008 0.000 2.544 28 Q HA 0.629 4.969 4.340 -0.000 0.000 0.291 28 Q C 0.386 176.466 176.000 0.134 0.000 1.068 28 Q CA -0.294 55.563 55.803 0.090 0.000 0.785 28 Q CB 2.046 30.820 28.738 0.060 0.000 1.481 28 Q HN 2.890 nan 8.270 nan 0.000 0.430 29 G N 1.134 110.017 108.800 0.139 0.000 2.698 29 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.233 29 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.233 29 G C -1.276 173.698 174.900 0.123 0.000 1.352 29 G CA -0.499 44.662 45.100 0.103 0.000 0.879 29 G HN 0.588 nan 8.290 nan 0.000 0.567 30 D N -0.337 120.112 120.400 0.082 0.000 2.256 30 D HA 0.469 5.109 4.640 -0.000 0.000 0.250 30 D C 0.064 176.426 176.300 0.102 0.000 1.093 30 D CA 0.188 54.233 54.000 0.075 0.000 0.882 30 D CB 1.859 42.682 40.800 0.038 0.000 1.185 30 D HN 0.873 nan 8.370 nan 0.000 0.437 31 V N 3.870 123.863 119.914 0.131 0.000 2.357 31 V HA 0.356 4.476 4.120 -0.000 0.000 0.281 31 V C -2.675 173.479 176.094 0.101 0.000 1.015 31 V CA -2.148 60.238 62.300 0.144 0.000 0.827 31 V CB 1.636 33.612 31.823 0.255 0.000 1.018 31 V HN 0.318 nan 8.190 nan 0.000 0.432 32 P HA 0.231 nan 4.420 nan 0.000 0.268 32 P C -1.040 176.227 177.300 -0.055 0.000 1.205 32 P CA 0.212 63.310 63.100 -0.004 0.000 0.771 32 P CB 0.888 32.579 31.700 -0.016 0.000 0.858 33 V N 2.511 122.363 119.914 -0.104 0.000 2.525 33 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 33 V C -0.055 175.910 176.094 -0.215 0.000 1.034 33 V CA -0.545 61.605 62.300 -0.250 0.000 0.863 33 V CB 1.974 33.606 31.823 -0.319 0.000 0.999 33 V HN 0.640 nan 8.190 nan 0.000 0.423 34 T N 1.505 115.914 114.554 -0.242 0.000 2.893 34 T HA 0.609 4.959 4.350 -0.000 0.000 0.324 34 T C -0.516 174.062 174.700 -0.204 0.000 1.082 34 T CA -0.583 61.411 62.100 -0.176 0.000 0.983 34 T CB 0.948 69.742 68.868 -0.125 0.000 1.005 34 T HN 0.250 nan 8.240 nan 0.000 0.475 35 V N 4.446 124.246 119.914 -0.191 0.000 2.455 35 V HA 0.435 4.555 4.120 -0.000 0.000 0.273 35 V C 0.439 176.408 176.094 -0.208 0.000 1.045 35 V CA -0.136 62.042 62.300 -0.204 0.000 0.976 35 V CB 0.984 32.703 31.823 -0.173 0.000 0.993 35 V HN 1.045 nan 8.190 nan 0.000 0.475 36 T N 4.633 119.047 114.554 -0.233 0.000 2.879 36 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 36 T C -0.524 173.917 174.700 -0.431 0.000 0.993 36 T CA -0.405 61.508 62.100 -0.312 0.000 0.975 36 T CB 1.676 70.392 68.868 -0.252 0.000 0.981 36 T HN 0.291 nan 8.240 nan 0.000 0.439 37 V N 4.593 124.205 119.914 -0.503 0.000 2.370 37 V HA 0.431 4.551 4.120 -0.000 0.000 0.283 37 V C -0.408 175.439 176.094 -0.412 0.000 1.023 37 V CA -0.738 61.303 62.300 -0.432 0.000 0.857 37 V CB 0.707 32.245 31.823 -0.476 0.000 0.985 37 V HN 0.884 nan 8.190 nan 0.000 0.443 38 H N 1.690 120.748 119.070 -0.020 0.000 2.630 38 H HA 0.566 5.122 4.556 -0.000 0.000 0.343 38 H C -0.130 175.266 175.328 0.115 0.000 1.232 38 H CA -0.861 55.212 56.048 0.042 0.000 1.294 38 H CB 0.891 30.677 29.762 0.040 0.000 1.746 38 H HN 0.740 nan 8.280 nan 0.000 0.593 39 D N -0.306 120.264 120.400 0.283 0.000 2.453 39 D HA 0.246 4.886 4.640 -0.000 0.000 0.282 39 D C -0.714 175.792 176.300 0.345 0.000 1.222 39 D CA -0.446 53.725 54.000 0.286 0.000 1.079 39 D CB 0.713 41.598 40.800 0.142 0.000 1.128 39 D HN 0.391 nan 8.370 nan 0.000 0.568 40 F N -1.236 118.783 119.950 0.115 0.000 2.669 40 F HA 0.384 4.911 4.527 -0.000 0.000 0.315 40 F C -2.809 173.039 175.800 0.079 0.000 1.109 40 F CA -1.296 56.763 58.000 0.099 0.000 1.028 40 F CB 1.198 40.290 39.000 0.154 0.000 1.287 40 F HN 0.158 nan 8.300 nan 0.000 0.452 41 P HA 0.647 nan 4.420 nan 0.000 0.277 41 P C -0.413 176.690 177.300 -0.329 0.000 1.276 41 P CA 0.452 62.939 63.100 -1.022 0.000 0.788 41 P CB 0.634 31.802 31.700 -0.887 0.000 1.114 42 G N -0.081 108.587 108.800 -0.219 0.000 2.767 42 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 42 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 42 G C -0.378 174.498 174.900 -0.040 0.000 1.213 42 G CA -0.518 44.518 45.100 -0.106 0.000 0.803 42 G HN 0.704 nan 8.290 nan 0.000 0.603 43 K N 0.983 121.343 120.400 -0.067 0.000 3.001 43 K HA 0.181 4.501 4.320 -0.000 0.000 0.257 43 K C 0.873 177.446 176.600 -0.046 0.000 1.290 43 K CA -0.297 55.917 56.287 -0.122 0.000 1.252 43 K CB -0.243 32.111 32.500 -0.244 0.000 1.656 43 K HN 0.461 nan 8.250 nan 0.000 0.351 44 K N 3.823 124.238 120.400 0.024 0.000 2.110 44 K HA 0.072 4.391 4.320 -0.000 0.000 0.260 44 K C 0.018 176.692 176.600 0.124 0.000 1.126 44 K CA -0.376 55.937 56.287 0.044 0.000 1.005 44 K CB -0.088 32.416 32.500 0.008 0.000 1.336 44 K HN 0.432 nan 8.250 nan 0.000 0.369 45 L N 1.585 122.908 121.223 0.167 0.000 2.436 45 L HA 0.591 4.931 4.340 -0.000 0.000 0.265 45 L C -0.450 176.473 176.870 0.088 0.000 1.168 45 L CA -0.821 54.146 54.840 0.212 0.000 0.815 45 L CB 1.292 43.511 42.059 0.266 0.000 1.109 45 L HN 0.217 nan 8.230 nan 0.000 0.462 46 V N 3.877 123.822 119.914 0.052 0.000 2.888 46 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 46 V C 0.417 176.510 176.094 -0.003 0.000 1.114 46 V CA -0.582 61.722 62.300 0.006 0.000 0.940 46 V CB 2.201 33.996 31.823 -0.047 0.000 1.021 46 V HN 0.967 nan 8.190 nan 0.000 0.426 47 L N 3.161 124.366 121.223 -0.030 0.000 2.013 47 L HA 0.325 4.665 4.340 -0.000 0.000 0.204 47 L C 0.521 177.382 176.870 -0.016 0.000 1.081 47 L CA 0.858 55.705 54.840 0.013 0.000 0.751 47 L CB -0.110 41.970 42.059 0.035 0.000 0.901 47 L HN 0.663 nan 8.230 nan 0.000 0.440 48 S N -1.062 114.588 115.700 -0.084 0.000 2.572 48 S HA 0.396 4.866 4.470 -0.000 0.000 0.274 48 S C -0.889 173.628 174.600 -0.138 0.000 1.150 48 S CA -0.500 57.664 58.200 -0.060 0.000 0.944 48 S CB 2.320 65.542 63.200 0.038 0.000 1.071 48 S HN 0.148 nan 8.310 nan 0.000 0.479 49 S N 2.255 117.903 115.700 -0.087 0.000 2.532 49 S HA 0.667 5.136 4.470 -0.000 0.000 0.299 49 S C -1.301 173.266 174.600 -0.055 0.000 1.105 49 S CA -0.555 57.582 58.200 -0.104 0.000 1.018 49 S CB 0.613 63.757 63.200 -0.095 0.000 1.021 49 S HN 0.604 nan 8.310 nan 0.000 0.483 50 E N 2.682 122.845 120.200 -0.061 0.000 2.359 50 E HA 0.568 4.918 4.350 -0.000 0.000 0.266 50 E C -1.087 175.484 176.600 -0.049 0.000 0.920 50 E CA -0.815 55.569 56.400 -0.026 0.000 0.788 50 E CB 1.973 31.685 29.700 0.021 0.000 1.279 50 E HN 0.598 nan 8.360 nan 0.000 0.438 51 K N 0.159 120.538 120.400 -0.035 0.000 2.469 51 K HA 0.698 5.018 4.320 -0.000 0.000 0.254 51 K C -0.741 175.840 176.600 -0.031 0.000 0.939 51 K CA -0.672 55.587 56.287 -0.046 0.000 0.812 51 K CB 2.545 35.020 32.500 -0.040 0.000 1.301 51 K HN 0.451 nan 8.250 nan 0.000 0.433 52 T N 0.017 114.548 114.554 -0.038 0.000 2.775 52 T HA 0.415 4.764 4.350 -0.000 0.000 0.320 52 T C -1.949 172.743 174.700 -0.014 0.000 1.597 52 T CA -0.572 61.517 62.100 -0.019 0.000 1.022 52 T CB 1.419 70.283 68.868 -0.006 0.000 1.485 52 T HN 0.190 nan 8.240 nan 0.000 0.494 53 V N 3.540 123.455 119.914 0.002 0.000 2.540 53 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 53 V C -0.265 175.845 176.094 0.027 0.000 1.035 53 V CA -0.881 61.428 62.300 0.015 0.000 0.873 53 V CB 1.755 33.582 31.823 0.007 0.000 0.992 53 V HN 0.770 nan 8.190 nan 0.000 0.428 54 L N 4.199 125.461 121.223 0.064 0.000 2.282 54 L HA 0.379 4.719 4.340 -0.000 0.000 0.287 54 L C 0.310 177.158 176.870 -0.036 0.000 1.075 54 L CA 0.101 54.978 54.840 0.062 0.000 0.839 54 L CB 0.627 42.806 42.059 0.200 0.000 1.219 54 L HN 0.632 nan 8.230 nan 0.000 0.434 55 T N 4.086 118.568 114.554 -0.120 0.000 2.799 55 T HA 0.197 4.547 4.350 -0.000 0.000 0.286 55 T C -1.609 172.853 174.700 -0.398 0.000 0.973 55 T CA -1.206 60.782 62.100 -0.186 0.000 1.035 55 T CB 1.757 70.563 68.868 -0.103 0.000 0.932 55 T HN 0.294 nan 8.240 nan 0.000 0.469 56 P HA -0.089 nan 4.420 nan 0.000 0.220 56 P C 1.255 178.400 177.300 -0.258 0.000 1.144 56 P CA 0.532 63.301 63.100 -0.552 0.000 0.800 56 P CB 0.067 31.659 31.700 -0.179 0.000 0.772 57 A N -0.513 122.203 122.820 -0.174 0.000 2.019 57 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 57 A C 1.866 179.389 177.584 -0.102 0.000 1.164 57 A CA 2.033 54.008 52.037 -0.103 0.000 0.644 57 A CB -1.538 17.419 19.000 -0.071 0.000 0.805 57 A HN 0.344 nan 8.150 nan 0.000 0.449 58 T N -4.231 110.243 114.554 -0.134 0.000 3.223 58 T HA 0.222 4.572 4.350 -0.000 0.000 0.259 58 T C 0.376 175.008 174.700 -0.114 0.000 1.015 58 T CA 0.338 62.378 62.100 -0.100 0.000 0.908 58 T CB -0.907 67.917 68.868 -0.074 0.000 1.054 58 T HN 0.610 nan 8.240 nan 0.000 0.567 59 N N 2.199 120.810 118.700 -0.148 0.000 2.714 59 N HA -0.263 4.477 4.740 -0.000 0.000 0.250 59 N C -0.834 174.669 175.510 -0.013 0.000 1.117 59 N CA 0.565 53.548 53.050 -0.111 0.000 0.719 59 N CB -1.325 37.057 38.487 -0.176 0.000 1.081 59 N HN 0.729 nan 8.380 nan 0.000 0.557 60 H N -2.256 116.769 119.070 -0.074 0.000 2.847 60 H HA -0.166 4.389 4.556 -0.000 0.000 0.336 60 H C -0.508 174.798 175.328 -0.036 0.000 1.221 60 H CA 1.465 57.480 56.048 -0.054 0.000 1.162 60 H CB -1.416 28.287 29.762 -0.099 0.000 1.566 60 H HN 0.420 nan 8.280 nan 0.000 0.430 61 M N 0.610 120.240 119.600 0.049 0.000 2.327 61 M HA 0.435 4.915 4.480 -0.000 0.000 0.298 61 M C 0.829 177.168 176.300 0.066 0.000 1.065 61 M CA -0.345 54.995 55.300 0.067 0.000 0.916 61 M CB 2.561 35.185 32.600 0.040 0.000 1.630 61 M HN 0.352 nan 8.290 nan 0.000 0.442 62 G N 1.145 110.003 108.800 0.097 0.000 2.434 62 G HA2 0.500 4.460 3.960 -0.000 0.000 0.330 62 G HA3 0.500 4.460 3.960 -0.000 0.000 0.330 62 G C -0.772 174.169 174.900 0.069 0.000 1.155 62 G CA -0.271 44.877 45.100 0.080 0.000 0.917 62 G HN 0.666 nan 8.290 nan 0.000 0.493 63 N N 0.078 118.808 118.700 0.051 0.000 2.722 63 N HA 0.239 4.979 4.740 -0.000 0.000 0.242 63 N C -0.722 174.812 175.510 0.040 0.000 1.398 63 N CA -0.437 52.640 53.050 0.044 0.000 0.755 63 N CB 1.176 39.681 38.487 0.030 0.000 1.268 63 N HN 0.508 nan 8.380 nan 0.000 0.522 64 V N -0.098 119.850 119.914 0.057 0.000 2.547 64 V HA 0.874 4.994 4.120 -0.000 0.000 0.299 64 V C 0.144 176.283 176.094 0.074 0.000 1.040 64 V CA -0.627 61.714 62.300 0.067 0.000 0.913 64 V CB 1.263 33.134 31.823 0.081 0.000 0.992 64 V HN 0.457 nan 8.190 nan 0.000 0.449 65 T N 2.419 117.001 114.554 0.046 0.000 2.847 65 T HA 0.746 5.096 4.350 -0.000 0.000 0.291 65 T C -0.721 173.976 174.700 -0.005 0.000 0.998 65 T CA -0.428 61.642 62.100 -0.051 0.000 0.967 65 T CB 0.845 69.664 68.868 -0.082 0.000 0.954 65 T HN 1.027 nan 8.240 nan 0.000 0.441 66 F N 0.226 120.164 119.950 -0.020 0.000 2.483 66 F HA 0.846 5.373 4.527 -0.000 0.000 0.329 66 F C -0.251 175.533 175.800 -0.027 0.000 1.064 66 F CA -1.125 56.859 58.000 -0.027 0.000 0.986 66 F CB 1.159 40.137 39.000 -0.036 0.000 1.218 66 F HN 0.401 nan 8.300 nan 0.000 0.484 67 T N 3.775 118.416 114.554 0.146 0.000 2.809 67 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 67 T C -0.190 174.578 174.700 0.113 0.000 1.015 67 T CA -0.352 61.780 62.100 0.053 0.000 0.954 67 T CB 0.457 69.336 68.868 0.019 0.000 0.950 67 T HN 0.485 nan 8.240 nan 0.000 0.450 68 I N 5.851 126.481 120.570 0.099 0.000 2.352 68 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 68 I C -2.034 174.072 176.117 -0.018 0.000 1.036 68 I CA -2.359 58.982 61.300 0.068 0.000 1.336 68 I CB 1.078 39.110 38.000 0.053 0.000 1.407 68 I HN 0.283 nan 8.210 nan 0.000 0.497 69 P HA 0.125 nan 4.420 nan 0.000 0.273 69 P C -0.227 177.036 177.300 -0.062 0.000 1.250 69 P CA -0.126 62.980 63.100 0.010 0.000 0.793 69 P CB 0.568 32.315 31.700 0.077 0.000 1.011 70 A N 0.480 123.299 122.820 -0.002 0.000 2.648 70 A HA -0.188 4.132 4.320 -0.000 0.000 0.297 70 A C -0.225 177.407 177.584 0.079 0.000 1.467 70 A CA 0.315 52.381 52.037 0.047 0.000 0.731 70 A CB -2.905 16.098 19.000 0.004 0.000 1.085 70 A HN 0.709 nan 8.150 nan 0.000 0.437 71 N N -1.949 116.824 118.700 0.122 0.000 3.886 71 N HA -0.158 4.582 4.740 -0.000 0.000 0.294 71 N C 0.256 175.885 175.510 0.200 0.000 2.109 71 N CA 1.189 54.362 53.050 0.205 0.000 2.630 71 N CB -0.237 38.490 38.487 0.401 0.000 0.502 71 N HN 0.887 nan 8.380 nan 0.000 0.624 72 R N 1.312 121.903 120.500 0.151 0.000 2.437 72 R HA 0.119 4.459 4.340 -0.000 0.000 0.257 72 R C 0.404 176.762 176.300 0.097 0.000 0.927 72 R CA -0.071 56.102 56.100 0.122 0.000 1.078 72 R CB 0.365 30.711 30.300 0.077 0.000 1.161 72 R HN 0.391 nan 8.270 nan 0.000 0.529 73 E N 0.028 120.273 120.200 0.075 0.000 2.427 73 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 73 E C -0.452 176.028 176.600 -0.199 0.000 1.028 73 E CA 0.580 56.925 56.400 -0.092 0.000 0.864 73 E CB 0.104 29.686 29.700 -0.197 0.000 0.813 73 E HN 0.225 nan 8.360 nan 0.000 0.514 74 F N 1.796 121.764 119.950 0.029 0.000 2.467 74 F HA 0.243 4.770 4.527 -0.000 0.000 0.349 74 F C 0.752 176.567 175.800 0.024 0.000 1.182 74 F CA -0.106 57.912 58.000 0.028 0.000 1.279 74 F CB 0.289 39.306 39.000 0.028 0.000 1.626 74 F HN -0.364 nan 8.300 nan 0.000 0.596 79 G N 1.188 109.991 108.800 0.005 0.000 2.894 79 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.247 79 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.247 79 G C -0.560 174.358 174.900 0.029 0.000 1.442 79 G CA 0.297 45.403 45.100 0.011 0.000 0.897 79 G HN 0.719 nan 8.290 nan 0.000 0.550 80 R N -1.603 118.921 120.500 0.039 0.000 3.773 80 R HA -0.171 4.169 4.340 -0.000 0.000 0.514 80 R C 0.236 176.580 176.300 0.072 0.000 0.241 80 R CA 1.250 57.392 56.100 0.071 0.000 1.604 80 R CB -1.521 28.831 30.300 0.086 0.000 1.012 80 R HN 1.122 nan 8.270 nan 0.000 0.561 81 N N 0.730 119.504 118.700 0.123 0.000 2.629 81 N HA 0.502 5.242 4.740 -0.000 0.000 0.279 81 N C -1.055 174.515 175.510 0.101 0.000 1.344 81 N CA -0.722 52.358 53.050 0.051 0.000 0.789 81 N CB 1.364 39.836 38.487 -0.024 0.000 1.508 81 N HN 0.256 nan 8.380 nan 0.000 0.516 82 K N 0.348 120.700 120.400 -0.081 0.000 2.378 82 K HA 0.562 4.882 4.320 -0.000 0.000 0.252 82 K C -1.223 175.299 176.600 -0.130 0.000 0.931 82 K CA -0.406 55.944 56.287 0.106 0.000 0.794 82 K CB 1.699 34.347 32.500 0.247 0.000 1.181 82 K HN 0.299 nan 8.250 nan 0.000 0.425 83 F N 0.603 120.728 119.950 0.293 0.000 2.611 83 F HA 0.577 5.104 4.527 -0.000 0.000 0.324 83 F C -0.225 175.723 175.800 0.247 0.000 1.061 83 F CA -1.078 57.028 58.000 0.175 0.000 0.954 83 F CB 1.840 40.818 39.000 -0.037 0.000 1.301 83 F HN 0.176 nan 8.300 nan 0.000 0.482 84 V N -1.855 118.246 119.914 0.311 0.000 2.709 84 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 84 V C -0.601 175.577 176.094 0.140 0.000 1.062 84 V CA -0.750 61.702 62.300 0.254 0.000 0.901 84 V CB 1.231 33.165 31.823 0.185 0.000 1.003 84 V HN 0.714 nan 8.190 nan 0.000 0.425 85 T N 3.941 118.592 114.554 0.162 0.000 2.992 85 T HA 0.335 4.685 4.350 -0.000 0.000 0.299 85 T C 0.121 174.860 174.700 0.064 0.000 1.027 85 T CA -0.026 62.135 62.100 0.102 0.000 1.001 85 T CB 0.261 69.231 68.868 0.171 0.000 1.005 85 T HN 0.661 nan 8.240 nan 0.000 0.599 86 V N 5.055 124.966 119.914 -0.004 0.000 2.415 86 V HA 0.191 4.310 4.120 -0.000 0.000 0.267 86 V C 0.439 176.504 176.094 -0.048 0.000 1.042 86 V CA -0.199 62.055 62.300 -0.077 0.000 1.000 86 V CB 0.517 32.300 31.823 -0.067 0.000 1.015 86 V HN 0.755 nan 8.190 nan 0.000 0.478 87 Q N 3.807 123.568 119.800 -0.066 0.000 2.342 87 Q HA 0.767 5.107 4.340 -0.000 0.000 0.267 87 Q C -0.808 175.130 176.000 -0.102 0.000 1.038 87 Q CA -0.731 55.053 55.803 -0.033 0.000 0.832 87 Q CB 2.062 30.832 28.738 0.054 0.000 1.323 87 Q HN 0.810 nan 8.270 nan 0.000 0.448 88 A N 2.801 125.561 122.820 -0.099 0.000 2.411 88 A HA 0.509 4.829 4.320 -0.000 0.000 0.285 88 A C -0.968 176.425 177.584 -0.318 0.000 1.129 88 A CA -0.547 51.345 52.037 -0.243 0.000 0.736 88 A CB 1.682 20.536 19.000 -0.244 0.000 1.186 88 A HN 0.648 nan 8.150 nan 0.000 0.445 89 T N 2.340 116.672 114.554 -0.370 0.000 2.767 89 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 89 T C -0.644 173.754 174.700 -0.504 0.000 0.963 89 T CA 0.359 62.285 62.100 -0.291 0.000 1.019 89 T CB -0.075 68.695 68.868 -0.163 0.000 0.923 89 T HN 0.345 nan 8.240 nan 0.000 0.468 90 F N 3.011 122.794 119.950 -0.277 0.000 2.461 90 F HA 0.480 5.007 4.527 -0.000 0.000 0.321 90 F C 1.485 177.058 175.800 -0.377 0.000 1.203 90 F CA -0.386 57.361 58.000 -0.423 0.000 1.238 90 F CB -0.018 38.407 39.000 -0.958 0.000 1.528 90 F HN 0.925 nan 8.300 nan 0.000 0.554 91 G N 0.765 109.500 108.800 -0.108 0.000 5.353 91 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.283 91 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.283 91 G C 1.128 175.995 174.900 -0.055 0.000 1.457 91 G CA 0.833 45.895 45.100 -0.064 0.000 0.951 91 G HN 0.358 nan 8.290 nan 0.000 0.731 92 T N 0.162 114.682 114.554 -0.056 0.000 3.125 92 T HA 0.301 4.651 4.350 -0.000 0.000 0.252 92 T C 0.812 175.494 174.700 -0.029 0.000 0.981 92 T CA 0.978 63.060 62.100 -0.031 0.000 1.069 92 T CB 0.282 69.147 68.868 -0.006 0.000 1.091 92 T HN 0.553 nan 8.240 nan 0.000 0.460 93 Q N 3.092 122.864 119.800 -0.047 0.000 2.262 93 Q HA 0.298 4.638 4.340 -0.000 0.000 0.272 93 Q C -0.756 175.254 176.000 0.017 0.000 1.076 93 Q CA 0.017 55.812 55.803 -0.014 0.000 0.905 93 Q CB 0.516 29.253 28.738 -0.001 0.000 1.182 93 Q HN 0.231 nan 8.270 nan 0.000 0.390 94 V N 5.962 125.898 119.914 0.038 0.000 2.394 94 V HA 0.557 4.677 4.120 -0.000 0.000 0.282 94 V C -1.047 175.099 176.094 0.087 0.000 1.031 94 V CA -0.556 61.775 62.300 0.051 0.000 0.881 94 V CB 1.469 33.301 31.823 0.014 0.000 0.982 94 V HN 0.617 nan 8.190 nan 0.000 0.451 95 V N 8.064 128.066 119.914 0.146 0.000 2.350 95 V HA 0.521 4.641 4.120 -0.000 0.000 0.285 95 V C -0.122 176.019 176.094 0.077 0.000 1.014 95 V CA -0.504 61.876 62.300 0.134 0.000 0.831 95 V CB 1.387 33.349 31.823 0.233 0.000 1.000 95 V HN 1.013 nan 8.190 nan 0.000 0.433 96 E N 3.862 124.082 120.200 0.034 0.000 2.256 96 E HA 0.878 5.228 4.350 -0.000 0.000 0.267 96 E C -1.079 175.517 176.600 -0.006 0.000 0.892 96 E CA -1.341 55.067 56.400 0.013 0.000 0.775 96 E CB 3.040 32.749 29.700 0.015 0.000 1.207 96 E HN 0.331 nan 8.360 nan 0.000 0.420 97 K N 1.627 122.018 120.400 -0.015 0.000 2.565 97 K HA 0.244 4.564 4.320 -0.000 0.000 0.251 97 K C -1.930 174.647 176.600 -0.037 0.000 0.956 97 K CA -0.646 55.622 56.287 -0.032 0.000 0.809 97 K CB 2.068 34.550 32.500 -0.030 0.000 1.267 97 K HN 0.463 nan 8.250 nan 0.000 0.438 98 V N 4.420 124.285 119.914 -0.081 0.000 2.530 98 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 98 V C -0.172 175.913 176.094 -0.016 0.000 1.048 98 V CA -0.577 61.658 62.300 -0.108 0.000 0.997 98 V CB 1.236 32.855 31.823 -0.340 0.000 0.987 98 V HN 0.530 nan 8.190 nan 0.000 0.477 99 V N 5.551 125.508 119.914 0.072 0.000 2.715 99 V HA 0.430 4.550 4.120 -0.000 0.000 0.310 99 V C -0.108 176.110 176.094 0.206 0.000 1.054 99 V CA -0.865 61.512 62.300 0.128 0.000 0.928 99 V CB 1.886 33.763 31.823 0.090 0.000 1.007 99 V HN 0.710 nan 8.190 nan 0.000 0.437 100 L N 4.669 125.986 121.223 0.158 0.000 2.461 100 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 100 L C -0.283 176.469 176.870 -0.197 0.000 1.197 100 L CA 0.721 55.452 54.840 -0.181 0.000 0.836 100 L CB 1.059 43.029 42.059 -0.150 0.000 1.105 100 L HN 0.451 nan 8.230 nan 0.000 0.477 101 V N 3.747 123.462 119.914 -0.332 0.000 2.555 101 V HA 0.441 4.561 4.120 -0.000 0.000 0.302 101 V C -0.147 175.827 176.094 -0.199 0.000 1.038 101 V CA -0.572 61.607 62.300 -0.203 0.000 0.887 101 V CB 1.549 33.275 31.823 -0.162 0.000 0.991 101 V HN 0.831 nan 8.190 nan 0.000 0.434 102 S N 4.615 120.221 115.700 -0.157 0.000 2.474 102 S HA 0.342 4.812 4.470 -0.000 0.000 0.320 102 S C 1.015 175.547 174.600 -0.112 0.000 1.067 102 S CA -0.724 57.402 58.200 -0.124 0.000 1.127 102 S CB 0.276 63.413 63.200 -0.105 0.000 0.971 102 S HN 0.584 nan 8.310 nan 0.000 0.472 103 L N 3.339 124.505 121.223 -0.095 0.000 2.450 103 L HA -0.087 4.253 4.340 -0.000 0.000 0.225 103 L C 1.364 178.207 176.870 -0.044 0.000 1.145 103 L CA 1.316 56.109 54.840 -0.079 0.000 0.801 103 L CB -1.560 40.483 42.059 -0.028 0.000 0.924 103 L HN 0.739 nan 8.230 nan 0.000 0.447 104 Q N -0.565 119.224 119.800 -0.019 0.000 2.304 104 Q HA -0.051 4.289 4.340 -0.000 0.000 0.301 104 Q C 1.182 177.201 176.000 0.032 0.000 1.063 104 Q CA 0.181 55.999 55.803 0.025 0.000 0.947 104 Q CB 0.571 29.367 28.738 0.098 0.000 1.201 104 Q HN 0.123 nan 8.270 nan 0.000 0.389 105 S N 0.588 116.187 115.700 -0.168 0.000 2.497 105 S HA 0.261 4.731 4.470 -0.000 0.000 0.221 105 S C 0.532 174.785 174.600 -0.578 0.000 1.037 105 S CA 0.332 58.296 58.200 -0.392 0.000 0.920 105 S CB 0.681 63.415 63.200 -0.776 0.000 0.800 105 S HN 0.877 nan 8.310 nan 0.000 0.505 106 G N -0.295 108.061 108.800 -0.740 0.000 2.452 106 G HA2 0.396 4.356 3.960 -0.000 0.000 0.224 106 G HA3 0.396 4.356 3.960 -0.000 0.000 0.224 106 G C -2.107 172.496 174.900 -0.495 0.000 1.208 106 G CA -0.849 43.753 45.100 -0.830 0.000 0.946 106 G HN 0.151 nan 8.290 nan 0.000 0.481 107 Y N -0.540 119.720 120.300 -0.066 0.000 2.549 107 Y HA 0.823 5.373 4.550 -0.000 0.000 0.339 107 Y C 0.224 175.725 175.900 -0.666 0.000 1.053 107 Y CA -0.836 57.078 58.100 -0.309 0.000 1.105 107 Y CB 2.285 40.558 38.460 -0.312 0.000 1.258 107 Y HN 0.366 nan 8.280 nan 0.000 0.478 108 L N 3.001 123.246 121.223 -1.630 0.000 2.439 108 L HA 0.491 4.831 4.340 -0.000 0.000 0.270 108 L C -1.682 174.513 176.870 -1.126 0.000 0.972 108 L CA -0.479 53.655 54.840 -1.178 0.000 0.836 108 L CB 1.472 42.905 42.059 -1.043 0.000 1.255 108 L HN 0.497 nan 8.230 nan 0.000 0.404 109 F N 3.835 123.698 119.950 -0.145 0.000 2.449 109 F HA 0.545 5.072 4.527 -0.000 0.000 0.342 109 F C 0.154 176.059 175.800 0.174 0.000 1.127 109 F CA -0.522 57.502 58.000 0.039 0.000 0.975 109 F CB 1.582 40.624 39.000 0.071 0.000 1.146 109 F HN 0.173 nan 8.300 nan 0.000 0.444 110 I N 3.247 123.976 120.570 0.266 0.000 2.336 110 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 110 I C -0.474 175.793 176.117 0.249 0.000 0.991 110 I CA -0.588 60.834 61.300 0.204 0.000 1.227 110 I CB 1.654 39.732 38.000 0.130 0.000 1.366 110 I HN 0.591 nan 8.210 nan 0.000 0.466 111 Q N 5.980 125.924 119.800 0.240 0.000 2.333 111 Q HA 0.419 4.759 4.340 -0.000 0.000 0.265 111 Q C -0.897 175.222 176.000 0.198 0.000 0.989 111 Q CA -0.667 55.282 55.803 0.243 0.000 0.842 111 Q CB 1.755 30.689 28.738 0.326 0.000 1.262 111 Q HN 0.765 nan 8.270 nan 0.000 0.451 112 T N 0.305 114.973 114.554 0.189 0.000 2.824 112 T HA 0.172 4.522 4.350 -0.000 0.000 0.280 112 T C 0.884 175.684 174.700 0.167 0.000 0.995 112 T CA -0.537 61.678 62.100 0.192 0.000 1.009 112 T CB 1.202 70.188 68.868 0.197 0.000 0.955 112 T HN 0.702 nan 8.240 nan 0.000 0.452 113 D N 2.668 123.167 120.400 0.165 0.000 2.116 113 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 113 D C 0.403 176.715 176.300 0.019 0.000 0.998 113 D CA 1.380 55.444 54.000 0.106 0.000 0.836 113 D CB 0.009 40.872 40.800 0.106 0.000 0.951 113 D HN 0.640 nan 8.370 nan 0.000 0.449 114 K N -1.390 118.974 120.400 -0.060 0.000 2.352 114 K HA 0.397 4.717 4.320 -0.000 0.000 0.240 114 K C 0.866 177.266 176.600 -0.333 0.000 1.017 114 K CA -0.095 55.981 56.287 -0.351 0.000 0.851 114 K CB 1.905 34.024 32.500 -0.635 0.000 1.261 114 K HN 0.040 nan 8.250 nan 0.000 0.451 115 T N -2.227 112.108 114.554 -0.365 0.000 3.037 115 T HA 0.261 4.611 4.350 -0.000 0.000 0.251 115 T C 0.722 175.343 174.700 -0.131 0.000 1.079 115 T CA 0.043 62.049 62.100 -0.156 0.000 1.067 115 T CB 0.074 68.851 68.868 -0.152 0.000 0.948 115 T HN 0.478 nan 8.240 nan 0.000 0.496 116 I N 0.382 120.730 120.570 -0.370 0.000 2.722 116 I HA 0.583 4.753 4.170 -0.000 0.000 0.295 116 I C -1.923 174.040 176.117 -0.257 0.000 1.161 116 I CA -1.601 59.587 61.300 -0.188 0.000 1.032 116 I CB 2.092 39.919 38.000 -0.289 0.000 1.244 116 I HN 0.038 nan 8.210 nan 0.000 0.421 117 Y N 3.134 123.614 120.300 0.301 0.000 2.570 117 Y HA 0.565 5.115 4.550 -0.000 0.000 0.345 117 Y C 0.241 176.295 175.900 0.256 0.000 1.014 117 Y CA -0.800 57.456 58.100 0.260 0.000 1.063 117 Y CB 2.147 40.701 38.460 0.156 0.000 1.272 117 Y HN 0.503 nan 8.280 nan 0.000 0.477 118 T N -0.839 113.839 114.554 0.207 0.000 2.867 118 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 118 T C -2.933 171.780 174.700 0.020 0.000 1.000 118 T CA -2.811 59.292 62.100 0.004 0.000 1.042 118 T CB 1.386 70.109 68.868 -0.241 0.000 0.973 118 T HN 0.192 nan 8.240 nan 0.000 0.465 119 P HA 0.262 nan 4.420 nan 0.000 0.256 119 P C 1.054 178.318 177.300 -0.060 0.000 1.189 119 P CA 0.980 64.070 63.100 -0.017 0.000 0.808 119 P CB -0.097 31.609 31.700 0.010 0.000 0.793 120 G N 1.964 110.704 108.800 -0.101 0.000 2.705 120 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G C 0.397 175.223 174.900 -0.123 0.000 1.015 120 G CA 0.180 45.213 45.100 -0.112 0.000 0.743 120 G HN 0.640 nan 8.290 nan 0.000 0.476 121 S N 0.178 115.822 115.700 -0.094 0.000 2.661 121 S HA 0.707 5.177 4.470 -0.000 0.000 0.265 121 S C -0.004 174.512 174.600 -0.140 0.000 1.225 121 S CA 0.528 58.687 58.200 -0.068 0.000 0.986 121 S CB 1.675 64.894 63.200 0.031 0.000 1.008 121 S HN 0.491 nan 8.310 nan 0.000 0.565 122 T N 1.072 115.563 114.554 -0.104 0.000 2.823 122 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 122 T C -0.655 173.955 174.700 -0.150 0.000 0.998 122 T CA -0.604 61.395 62.100 -0.168 0.000 0.994 122 T CB 1.308 70.100 68.868 -0.126 0.000 0.960 122 T HN 0.503 nan 8.240 nan 0.000 0.448 123 V N 5.080 124.825 119.914 -0.282 0.000 2.353 123 V HA 0.263 4.382 4.120 -0.000 0.000 0.264 123 V C 0.087 176.159 176.094 -0.037 0.000 1.049 123 V CA -0.520 61.529 62.300 -0.418 0.000 0.896 123 V CB 0.076 31.386 31.823 -0.855 0.000 1.025 123 V HN 0.693 nan 8.190 nan 0.000 0.475 124 L N 7.713 128.961 121.223 0.040 0.000 2.283 124 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 124 L C -0.466 176.462 176.870 0.096 0.000 1.073 124 L CA -0.375 54.481 54.840 0.026 0.000 0.822 124 L CB 0.072 42.141 42.059 0.017 0.000 1.186 124 L HN 0.751 nan 8.230 nan 0.000 0.436 125 Y N 1.638 121.890 120.300 -0.080 0.000 2.492 125 Y HA 0.770 5.320 4.550 -0.000 0.000 0.346 125 Y C -0.810 175.023 175.900 -0.112 0.000 0.997 125 Y CA -1.440 56.614 58.100 -0.078 0.000 1.025 125 Y CB 1.329 39.730 38.460 -0.099 0.000 1.263 125 Y HN 0.366 nan 8.280 nan 0.000 0.454 126 R N 2.559 123.007 120.500 -0.086 0.000 2.803 126 R HA 0.727 5.067 4.340 -0.000 0.000 0.276 126 R C -1.697 174.405 176.300 -0.330 0.000 0.978 126 R CA -1.130 54.790 56.100 -0.300 0.000 0.939 126 R CB 2.382 32.434 30.300 -0.412 0.000 1.179 126 R HN 0.685 nan 8.270 nan 0.000 0.472 127 I N 2.073 122.400 120.570 -0.405 0.000 2.433 127 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 127 I C -0.914 174.934 176.117 -0.447 0.000 1.001 127 I CA -0.277 60.835 61.300 -0.314 0.000 1.119 127 I CB 1.210 39.118 38.000 -0.154 0.000 1.289 127 I HN 0.368 nan 8.210 nan 0.000 0.438 128 F N 3.519 123.479 119.950 0.017 0.000 2.404 128 F HA 0.458 4.985 4.527 -0.000 0.000 0.354 128 F C 0.623 176.437 175.800 0.024 0.000 1.122 128 F CA -0.856 57.170 58.000 0.042 0.000 1.080 128 F CB 1.419 40.483 39.000 0.106 0.000 1.131 128 F HN 0.377 nan 8.300 nan 0.000 0.471 129 T N 1.514 116.177 114.554 0.182 0.000 2.832 129 T HA 0.647 4.997 4.350 -0.000 0.000 0.313 129 T C -0.545 174.291 174.700 0.228 0.000 1.035 129 T CA -0.658 61.546 62.100 0.174 0.000 0.950 129 T CB 0.141 69.093 68.868 0.141 0.000 0.984 129 T HN 0.498 nan 8.240 nan 0.000 0.486 130 V N 1.482 121.548 119.914 0.254 0.000 2.914 130 V HA 0.749 4.869 4.120 -0.000 0.000 0.314 130 V C -0.073 176.124 176.094 0.172 0.000 1.084 130 V CA -1.405 61.018 62.300 0.204 0.000 0.963 130 V CB 1.659 33.605 31.823 0.206 0.000 1.025 130 V HN 0.876 nan 8.190 nan 0.000 0.432 131 N N 1.188 119.954 118.700 0.109 0.000 2.332 131 N HA 0.135 4.875 4.740 -0.000 0.000 0.282 131 N C 0.625 176.212 175.510 0.130 0.000 1.288 131 N CA 0.311 53.382 53.050 0.034 0.000 0.949 131 N CB -0.517 38.007 38.487 0.063 0.000 1.108 131 N HN 0.805 nan 8.380 nan 0.000 0.542 132 H N -1.954 117.214 119.070 0.163 0.000 2.563 132 H HA 0.157 4.713 4.556 -0.000 0.000 0.272 132 H C 0.295 175.806 175.328 0.305 0.000 1.005 132 H CA 0.840 57.073 56.048 0.308 0.000 1.171 132 H CB 0.094 29.936 29.762 0.134 0.000 1.351 132 H HN 0.479 nan 8.280 nan 0.000 0.602 133 K N 0.502 121.073 120.400 0.284 0.000 2.414 133 K HA 0.200 4.519 4.320 -0.000 0.000 0.204 133 K C -0.331 176.357 176.600 0.148 0.000 1.026 133 K CA -0.050 56.357 56.287 0.199 0.000 1.108 133 K CB 1.008 33.590 32.500 0.137 0.000 0.855 133 K HN 0.102 nan 8.250 nan 0.000 0.517 134 L N 1.687 122.998 121.223 0.147 0.000 3.601 134 L HA -0.232 4.108 4.340 -0.000 0.000 0.469 134 L C -0.961 175.937 176.870 0.047 0.000 1.294 134 L CA 0.380 55.255 54.840 0.058 0.000 0.829 134 L CB -1.588 40.422 42.059 -0.082 0.000 1.628 134 L HN 0.259 nan 8.230 nan 0.000 0.868 135 L N -0.391 120.879 121.223 0.078 0.000 2.388 135 L HA 0.632 4.972 4.340 -0.000 0.000 0.264 135 L C -2.154 174.760 176.870 0.073 0.000 0.998 135 L CA -2.036 52.841 54.840 0.061 0.000 0.817 135 L CB 2.135 44.230 42.059 0.060 0.000 1.338 135 L HN -0.204 nan 8.230 nan 0.000 0.414 136 P HA 0.021 nan 4.420 nan 0.000 0.262 136 P C -1.062 176.280 177.300 0.071 0.000 1.182 136 P CA 0.254 63.400 63.100 0.075 0.000 0.761 136 P CB 0.750 32.485 31.700 0.058 0.000 0.795 137 V N 3.608 123.572 119.914 0.085 0.000 2.891 137 V HA 0.667 4.787 4.120 -0.000 0.000 0.304 137 V C -0.220 175.924 176.094 0.084 0.000 1.171 137 V CA -0.612 61.731 62.300 0.073 0.000 0.943 137 V CB 2.245 34.106 31.823 0.064 0.000 1.037 137 V HN 0.613 nan 8.190 nan 0.000 0.427 138 G N 6.146 114.983 108.800 0.063 0.000 2.365 138 G HA2 0.623 4.583 3.960 -0.000 0.000 0.293 138 G HA3 0.623 4.583 3.960 -0.000 0.000 0.293 138 G C -0.351 174.596 174.900 0.078 0.000 1.128 138 G CA -0.323 44.815 45.100 0.062 0.000 0.971 138 G HN 0.623 nan 8.290 nan 0.000 0.422 139 R N 1.156 121.726 120.500 0.116 0.000 2.855 139 R HA 0.527 4.866 4.340 -0.000 0.000 0.266 139 R C -0.671 175.705 176.300 0.126 0.000 1.034 139 R CA -0.745 55.452 56.100 0.161 0.000 0.944 139 R CB 1.399 31.901 30.300 0.335 0.000 1.219 139 R HN 0.404 nan 8.270 nan 0.000 0.474 140 T N 1.069 115.702 114.554 0.132 0.000 2.744 140 T HA 0.457 4.806 4.350 -0.000 0.000 0.291 140 T C -0.204 174.510 174.700 0.023 0.000 0.957 140 T CA -0.436 61.700 62.100 0.059 0.000 1.002 140 T CB 1.047 69.945 68.868 0.050 0.000 0.919 140 T HN 0.124 nan 8.240 nan 0.000 0.468 141 V N 5.005 124.864 119.914 -0.091 0.000 2.540 141 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 141 V C -0.243 175.690 176.094 -0.269 0.000 1.035 141 V CA -1.006 61.155 62.300 -0.231 0.000 0.873 141 V CB 1.925 33.562 31.823 -0.309 0.000 0.992 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 4.724 124.038 119.600 -0.477 0.000 2.108 142 M HA 0.468 4.948 4.480 -0.000 0.000 0.354 142 M C -0.700 175.320 176.300 -0.466 0.000 1.229 142 M CA -0.339 54.643 55.300 -0.530 0.000 1.081 142 M CB 1.127 33.215 32.600 -0.854 0.000 1.606 142 M HN 0.345 nan 8.290 nan 0.000 0.467 143 V N 5.069 124.849 119.914 -0.222 0.000 2.409 143 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 143 V C -0.330 175.727 176.094 -0.061 0.000 1.020 143 V CA -0.831 61.401 62.300 -0.114 0.000 0.848 143 V CB 1.769 33.574 31.823 -0.031 0.000 0.990 143 V HN 0.754 nan 8.190 nan 0.000 0.430 144 N N 4.077 122.754 118.700 -0.039 0.000 2.272 144 N HA 0.676 5.415 4.740 -0.000 0.000 0.305 144 N C -0.962 174.504 175.510 -0.074 0.000 1.103 144 N CA -0.516 52.517 53.050 -0.029 0.000 0.791 144 N CB 2.525 41.026 38.487 0.023 0.000 1.356 144 N HN 0.530 nan 8.380 nan 0.000 0.486 145 I N 1.049 121.549 120.570 -0.115 0.000 2.420 145 I HA 0.239 4.409 4.170 -0.000 0.000 0.282 145 I C -0.197 175.868 176.117 -0.087 0.000 1.019 145 I CA -0.494 60.699 61.300 -0.179 0.000 1.130 145 I CB 1.144 38.857 38.000 -0.479 0.000 1.262 145 I HN 0.229 nan 8.210 nan 0.000 0.454 146 E N 5.079 125.238 120.200 -0.068 0.000 2.216 146 E HA 0.207 4.556 4.350 -0.000 0.000 0.279 146 E C -0.437 175.960 176.600 -0.338 0.000 0.997 146 E CA -0.820 55.495 56.400 -0.141 0.000 0.817 146 E CB 1.264 30.881 29.700 -0.139 0.000 1.096 146 E HN 0.531 nan 8.360 nan 0.000 0.393 147 N N 2.654 120.957 118.700 -0.661 0.000 2.317 147 N HA 0.044 4.784 4.740 -0.000 0.000 0.245 147 N C -2.122 172.772 175.510 -1.026 0.000 1.294 147 N CA -1.576 50.545 53.050 -1.549 0.000 0.924 147 N CB -0.298 37.506 38.487 -1.138 0.000 1.186 147 N HN 0.065 nan 8.380 nan 0.000 0.495 148 P HA -0.106 nan 4.420 nan 0.000 0.222 148 P C 0.024 177.108 177.300 -0.361 0.000 1.142 148 P CA 1.399 64.154 63.100 -0.575 0.000 0.788 148 P CB 0.058 31.492 31.700 -0.443 0.000 0.767 149 E N -1.369 118.617 120.200 -0.357 0.000 2.444 149 E HA 0.232 4.582 4.350 -0.000 0.000 0.191 149 E C 0.885 177.366 176.600 -0.198 0.000 1.041 149 E CA 0.089 56.354 56.400 -0.225 0.000 0.883 149 E CB -0.363 29.229 29.700 -0.180 0.000 1.024 149 E HN 0.093 nan 8.360 nan 0.000 0.470 150 G N 2.303 110.960 108.800 -0.238 0.000 2.273 150 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.280 150 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.280 150 G C -0.008 174.807 174.900 -0.142 0.000 1.047 150 G CA 0.043 45.037 45.100 -0.177 0.000 0.869 150 G HN 0.202 nan 8.290 nan 0.000 0.502 151 I N 0.166 120.637 120.570 -0.165 0.000 2.410 151 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 151 I C -2.239 173.824 176.117 -0.090 0.000 1.009 151 I CA -3.290 57.946 61.300 -0.107 0.000 1.111 151 I CB 1.587 39.533 38.000 -0.090 0.000 1.262 151 I HN -0.188 nan 8.210 nan 0.000 0.443 152 P HA -0.017 nan 4.420 nan 0.000 0.261 152 P C 1.041 178.347 177.300 0.009 0.000 1.183 152 P CA 0.296 63.381 63.100 -0.024 0.000 0.761 152 P CB 0.638 32.336 31.700 -0.004 0.000 0.785 153 V N 0.935 120.872 119.914 0.038 0.000 3.635 153 V HA 0.315 4.435 4.120 -0.000 0.000 0.266 153 V C 0.473 176.634 176.094 0.112 0.000 1.316 153 V CA 0.658 63.025 62.300 0.113 0.000 1.060 153 V CB -0.360 31.614 31.823 0.251 0.000 0.820 153 V HN 0.381 nan 8.190 nan 0.000 0.447 154 K N 2.008 122.433 120.400 0.042 0.000 2.565 154 K HA 0.459 4.779 4.320 -0.000 0.000 0.251 154 K C -1.655 174.951 176.600 0.010 0.000 0.956 154 K CA -0.455 55.860 56.287 0.047 0.000 0.809 154 K CB 1.851 34.385 32.500 0.056 0.000 1.267 154 K HN 0.384 nan 8.250 nan 0.000 0.438 155 Q N 3.361 123.177 119.800 0.027 0.000 2.323 155 Q HA 0.471 4.811 4.340 -0.000 0.000 0.271 155 Q C -1.485 174.520 176.000 0.009 0.000 1.048 155 Q CA -0.505 55.304 55.803 0.011 0.000 0.792 155 Q CB 2.279 31.028 28.738 0.018 0.000 1.280 155 Q HN 0.588 nan 8.270 nan 0.000 0.441 156 D N 0.963 121.356 120.400 -0.011 0.000 2.714 156 D HA 0.526 5.166 4.640 -0.000 0.000 0.278 156 D C -0.927 175.343 176.300 -0.050 0.000 1.102 156 D CA -0.511 53.479 54.000 -0.017 0.000 1.108 156 D CB 1.707 42.504 40.800 -0.005 0.000 1.444 156 D HN 0.468 nan 8.370 nan 0.000 0.568 157 S N 0.445 116.117 115.700 -0.048 0.000 2.680 157 S HA 0.358 4.828 4.470 -0.000 0.000 0.140 157 S C -1.152 173.417 174.600 -0.051 0.000 1.357 157 S CA -0.468 57.694 58.200 -0.063 0.000 1.201 157 S CB -0.623 62.551 63.200 -0.042 0.000 1.547 157 S HN 0.209 nan 8.310 nan 0.000 0.411 158 L N 1.843 123.028 121.223 -0.064 0.000 2.479 158 L HA 0.679 5.019 4.340 -0.000 0.000 0.248 158 L C 0.747 177.590 176.870 -0.046 0.000 1.205 158 L CA 0.071 54.879 54.840 -0.055 0.000 0.817 158 L CB 0.976 42.993 42.059 -0.069 0.000 1.162 158 L HN 0.490 nan 8.230 nan 0.000 0.486 159 S N -1.607 114.073 115.700 -0.033 0.000 2.677 159 S HA 0.293 4.763 4.470 -0.000 0.000 0.283 159 S C 0.343 174.936 174.600 -0.012 0.000 1.159 159 S CA -0.270 57.922 58.200 -0.013 0.000 1.001 159 S CB 0.962 64.163 63.200 0.000 0.000 1.032 159 S HN 0.630 nan 8.310 nan 0.000 0.487 160 S N 3.150 118.850 115.700 -0.000 0.000 2.660 160 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 160 S C 0.630 175.239 174.600 0.016 0.000 0.966 160 S CA 0.011 58.213 58.200 0.003 0.000 0.940 160 S CB -0.340 62.872 63.200 0.021 0.000 0.773 160 S HN 0.733 nan 8.310 nan 0.000 0.535 161 Q N 2.490 122.300 119.800 0.016 0.000 2.263 161 Q HA 0.121 4.461 4.340 -0.000 0.000 0.289 161 Q C 0.006 176.011 176.000 0.010 0.000 1.061 161 Q CA 0.666 56.480 55.803 0.018 0.000 0.927 161 Q CB -0.321 28.427 28.738 0.017 0.000 1.154 161 Q HN 0.374 nan 8.270 nan 0.000 0.378 162 N N 2.659 121.366 118.700 0.012 0.000 2.714 162 N HA -0.231 4.508 4.740 -0.000 0.000 0.250 162 N C -0.548 174.963 175.510 0.002 0.000 1.117 162 N CA 1.322 54.376 53.050 0.007 0.000 0.719 162 N CB -1.045 37.445 38.487 0.004 0.000 1.081 162 N HN 0.694 nan 8.380 nan 0.000 0.557 163 Q N -0.045 119.758 119.800 0.004 0.000 2.127 163 Q HA 0.396 4.736 4.340 -0.000 0.000 0.222 163 Q C 0.142 176.146 176.000 0.007 0.000 0.794 163 Q CA -0.316 55.484 55.803 -0.004 0.000 1.010 163 Q CB 0.381 29.108 28.738 -0.017 0.000 1.170 163 Q HN 0.294 nan 8.270 nan 0.000 0.479 164 L N 0.166 121.401 121.223 0.019 0.000 3.717 164 L HA -0.188 4.152 4.340 -0.000 0.000 0.411 164 L C 0.536 177.440 176.870 0.057 0.000 1.233 164 L CA 1.328 56.188 54.840 0.033 0.000 0.917 164 L CB -1.466 40.608 42.059 0.025 0.000 1.902 164 L HN 0.479 nan 8.230 nan 0.000 0.894 165 G N -1.078 107.756 108.800 0.056 0.000 2.305 165 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.287 165 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.287 165 G C 0.100 175.053 174.900 0.087 0.000 1.036 165 G CA 0.294 45.444 45.100 0.085 0.000 0.887 165 G HN 1.190 nan 8.290 nan 0.000 0.505 166 V N 0.616 120.535 119.914 0.008 0.000 2.488 166 V HA 0.474 4.594 4.120 -0.000 0.000 0.293 166 V C 0.213 176.220 176.094 -0.145 0.000 1.027 166 V CA -0.678 61.568 62.300 -0.090 0.000 0.862 166 V CB 1.797 33.606 31.823 -0.024 0.000 1.008 166 V HN 0.297 nan 8.190 nan 0.000 0.428 167 L N 7.047 128.136 121.223 -0.223 0.000 2.321 167 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 167 L C -2.489 174.230 176.870 -0.252 0.000 1.050 167 L CA -1.597 53.127 54.840 -0.195 0.000 0.893 167 L CB 1.659 43.618 42.059 -0.167 0.000 1.272 167 L HN 0.392 nan 8.230 nan 0.000 0.435 168 P HA 0.243 nan 4.420 nan 0.000 0.271 168 P C -0.613 176.505 177.300 -0.303 0.000 1.226 168 P CA 0.323 63.276 63.100 -0.245 0.000 0.765 168 P CB 0.838 32.438 31.700 -0.166 0.000 0.835 169 L N 1.913 122.847 121.223 -0.482 0.000 2.397 169 L HA 0.729 5.069 4.340 -0.000 0.000 0.251 169 L C -0.242 176.206 176.870 -0.703 0.000 1.064 169 L CA -0.672 53.786 54.840 -0.637 0.000 0.859 169 L CB 2.400 43.910 42.059 -0.915 0.000 1.468 169 L HN 0.380 nan 8.230 nan 0.000 0.411 170 S N -1.004 114.423 115.700 -0.456 0.000 2.547 170 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 170 S C -2.145 172.547 174.600 0.152 0.000 1.150 170 S CA -0.750 57.362 58.200 -0.147 0.000 0.850 170 S CB 1.905 65.037 63.200 -0.114 0.000 1.118 170 S HN 0.624 nan 8.310 nan 0.000 0.461 171 W N 2.244 123.539 121.300 -0.008 0.000 2.884 171 W HA 0.543 5.203 4.660 -0.000 0.000 0.336 171 W C -1.896 174.539 176.519 -0.140 0.000 1.038 171 W CA -0.414 56.907 57.345 -0.040 0.000 1.247 171 W CB 1.276 30.729 29.460 -0.010 0.000 1.351 171 W HN 0.685 nan 8.180 nan 0.000 0.446 172 D N 5.845 125.832 120.400 -0.687 0.000 2.348 172 D HA 0.204 4.843 4.640 -0.000 0.000 0.253 172 D C 0.214 175.770 176.300 -1.241 0.000 1.161 172 D CA 0.439 54.007 54.000 -0.721 0.000 0.876 172 D CB 1.137 41.675 40.800 -0.437 0.000 1.160 172 D HN 0.316 nan 8.370 nan 0.000 0.459 173 I N 4.405 124.412 120.570 -0.937 0.000 2.312 173 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 173 I C -2.017 173.817 176.117 -0.472 0.000 1.031 173 I CA -1.933 58.830 61.300 -0.894 0.000 1.293 173 I CB 0.885 38.555 38.000 -0.550 0.000 1.403 173 I HN -0.005 nan 8.210 nan 0.000 0.484 174 P HA 0.013 nan 4.420 nan 0.000 0.268 174 P C 0.602 177.836 177.300 -0.110 0.000 1.208 174 P CA -0.142 62.847 63.100 -0.185 0.000 0.777 174 P CB 0.696 32.339 31.700 -0.096 0.000 0.875 175 E N 1.285 121.438 120.200 -0.077 0.000 2.058 175 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 175 E C 0.621 177.214 176.600 -0.011 0.000 0.997 175 E CA 1.316 57.689 56.400 -0.046 0.000 0.801 175 E CB -0.272 29.405 29.700 -0.039 0.000 0.746 175 E HN 0.465 nan 8.360 nan 0.000 0.450 176 L N 1.929 123.154 121.223 0.003 0.000 2.358 176 L HA 0.222 4.562 4.340 -0.000 0.000 0.274 176 L C -0.004 176.908 176.870 0.069 0.000 1.136 176 L CA -0.425 54.435 54.840 0.033 0.000 0.970 176 L CB 0.768 42.844 42.059 0.029 0.000 1.314 176 L HN -0.158 nan 8.230 nan 0.000 0.427 177 V N 2.590 122.564 119.914 0.100 0.000 2.914 177 V HA 0.467 4.586 4.120 -0.000 0.000 0.314 177 V C -0.503 175.731 176.094 0.233 0.000 1.084 177 V CA -0.805 61.613 62.300 0.195 0.000 0.963 177 V CB 2.732 34.669 31.823 0.191 0.000 1.025 177 V HN 0.601 nan 8.190 nan 0.000 0.432 178 N N 4.574 123.465 118.700 0.318 0.000 2.405 178 N HA 0.349 5.089 4.740 -0.000 0.000 0.260 178 N C -0.371 175.322 175.510 0.304 0.000 1.152 178 N CA -0.115 53.071 53.050 0.225 0.000 0.948 178 N CB 0.746 39.297 38.487 0.107 0.000 1.111 178 N HN 0.567 nan 8.380 nan 0.000 0.485 179 M N 1.426 121.151 119.600 0.209 0.000 2.248 179 M HA 0.383 4.863 4.480 -0.000 0.000 0.337 179 M C 1.270 177.654 176.300 0.141 0.000 1.121 179 M CA 0.520 55.947 55.300 0.213 0.000 1.155 179 M CB 0.423 33.109 32.600 0.144 0.000 1.514 179 M HN 0.748 nan 8.290 nan 0.000 0.452 180 G N 0.878 109.775 108.800 0.161 0.000 2.350 180 G HA2 0.106 4.066 3.960 -0.000 0.000 0.276 180 G HA3 0.106 4.066 3.960 -0.000 0.000 0.276 180 G C -1.739 173.197 174.900 0.061 0.000 1.313 180 G CA -0.946 44.182 45.100 0.047 0.000 0.903 180 G HN 0.430 nan 8.290 nan 0.000 0.490 181 Q N 0.451 120.218 119.800 -0.055 0.000 2.503 181 Q HA 0.319 4.659 4.340 -0.000 0.000 0.227 181 Q C -0.566 175.318 176.000 -0.194 0.000 1.109 181 Q CA -0.223 55.536 55.803 -0.073 0.000 0.922 181 Q CB 0.630 29.328 28.738 -0.066 0.000 1.249 181 Q HN 0.431 nan 8.270 nan 0.000 0.530 182 W N 1.951 122.962 121.300 -0.482 0.000 1.975 182 W HA 0.195 4.855 4.660 -0.000 0.000 0.359 182 W C 0.818 176.976 176.519 -0.601 0.000 1.363 182 W CA 0.212 57.150 57.345 -0.678 0.000 1.376 182 W CB 0.518 29.236 29.460 -1.238 0.000 1.231 182 W HN 0.241 nan 8.180 nan 0.000 0.641 183 K N 0.890 121.190 120.400 -0.167 0.000 2.523 183 K HA 0.487 4.807 4.320 -0.000 0.000 0.257 183 K C -1.663 174.957 176.600 0.034 0.000 0.932 183 K CA -0.605 55.652 56.287 -0.049 0.000 0.812 183 K CB 1.189 33.646 32.500 -0.071 0.000 1.326 183 K HN 0.425 nan 8.250 nan 0.000 0.433 184 I N 4.783 125.390 120.570 0.062 0.000 2.405 184 I HA 0.366 4.535 4.170 -0.000 0.000 0.280 184 I C -0.310 175.803 176.117 -0.007 0.000 1.027 184 I CA -0.742 60.536 61.300 -0.036 0.000 1.161 184 I CB 1.390 39.288 38.000 -0.171 0.000 1.300 184 I HN 0.394 nan 8.210 nan 0.000 0.463 185 R N 4.694 125.195 120.500 0.001 0.000 2.474 185 R HA 0.883 5.223 4.340 -0.000 0.000 0.295 185 R C -0.553 175.791 176.300 0.072 0.000 0.980 185 R CA -0.606 55.531 56.100 0.061 0.000 0.934 185 R CB 2.148 32.492 30.300 0.072 0.000 1.101 185 R HN 0.675 nan 8.270 nan 0.000 0.469 186 A N 2.113 125.014 122.820 0.134 0.000 2.572 186 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 186 A C -1.764 175.949 177.584 0.216 0.000 1.072 186 A CA -0.787 51.284 52.037 0.056 0.000 0.691 186 A CB 1.395 20.378 19.000 -0.027 0.000 1.291 186 A HN 0.790 nan 8.150 nan 0.000 0.404 187 Y N -2.074 118.225 120.300 -0.002 0.000 2.662 187 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 187 Y C -1.499 174.367 175.900 -0.057 0.000 1.185 187 Y CA -1.612 56.504 58.100 0.027 0.000 1.074 187 Y CB 0.297 38.785 38.460 0.048 0.000 1.330 187 Y HN 0.614 nan 8.280 nan 0.000 0.458 188 Y N 1.815 122.260 120.300 0.241 0.000 2.411 188 Y HA 0.130 4.680 4.550 -0.000 0.000 0.333 188 Y C 1.804 177.814 175.900 0.182 0.000 1.186 188 Y CA 0.424 58.599 58.100 0.125 0.000 1.381 188 Y CB 1.081 39.606 38.460 0.107 0.000 1.273 188 Y HN 0.920 nan 8.280 nan 0.000 0.546 189 E N 1.318 121.659 120.200 0.235 0.000 2.204 189 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 189 E C 0.673 177.400 176.600 0.212 0.000 0.990 189 E CA 1.286 57.800 56.400 0.191 0.000 0.821 189 E CB 0.120 29.885 29.700 0.108 0.000 0.750 189 E HN 0.686 nan 8.360 nan 0.000 0.477 190 N N -0.000 118.822 118.700 0.204 0.000 2.398 190 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 190 N C -0.498 175.093 175.510 0.135 0.000 1.122 190 N CA 0.650 53.784 53.050 0.140 0.000 0.866 190 N CB 1.077 39.614 38.487 0.083 0.000 0.970 190 N HN 0.023 nan 8.380 nan 0.000 0.462 191 S N -1.045 114.777 115.700 0.202 0.000 2.440 191 S HA 0.304 4.774 4.470 -0.000 0.000 0.142 191 S C -2.375 172.310 174.600 0.141 0.000 1.578 191 S CA -0.960 57.328 58.200 0.147 0.000 1.260 191 S CB 1.903 65.184 63.200 0.135 0.000 1.407 191 S HN -0.114 nan 8.310 nan 0.000 0.392 192 P HA -0.128 nan 4.420 nan 0.000 0.230 192 P C 1.281 178.346 177.300 -0.391 0.000 1.158 192 P CA 0.875 63.807 63.100 -0.280 0.000 0.769 192 P CB 0.165 31.780 31.700 -0.141 0.000 0.807 193 Q N -0.023 119.667 119.800 -0.184 0.000 2.250 193 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 193 Q C 1.185 177.076 176.000 -0.182 0.000 0.941 193 Q CA 0.716 56.416 55.803 -0.171 0.000 0.872 193 Q CB -0.690 27.988 28.738 -0.100 0.000 0.965 193 Q HN 0.326 nan 8.270 nan 0.000 0.480 194 Q N 1.603 121.317 119.800 -0.144 0.000 2.472 194 Q HA 0.388 4.728 4.340 -0.000 0.000 0.227 194 Q C -1.456 174.401 176.000 -0.238 0.000 1.156 194 Q CA -0.243 55.437 55.803 -0.205 0.000 0.924 194 Q CB 0.721 29.380 28.738 -0.133 0.000 1.354 194 Q HN 0.034 nan 8.270 nan 0.000 0.525 195 V N 5.318 125.045 119.914 -0.311 0.000 2.417 195 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 195 V C -0.498 175.428 176.094 -0.281 0.000 1.024 195 V CA -0.608 61.597 62.300 -0.159 0.000 0.861 195 V CB 0.963 32.729 31.823 -0.096 0.000 0.985 195 V HN 0.563 nan 8.190 nan 0.000 0.436 196 F N 1.793 121.762 119.950 0.032 0.000 2.399 196 F HA 0.727 5.254 4.527 -0.000 0.000 0.328 196 F C 0.805 176.614 175.800 0.016 0.000 1.084 196 F CA -0.206 57.794 58.000 0.001 0.000 1.053 196 F CB 1.712 40.682 39.000 -0.049 0.000 1.209 196 F HN 0.399 nan 8.300 nan 0.000 0.502 197 S N -0.152 115.667 115.700 0.199 0.000 2.541 197 S HA 0.711 5.181 4.470 -0.000 0.000 0.271 197 S C -1.114 173.563 174.600 0.128 0.000 1.133 197 S CA -0.851 57.423 58.200 0.124 0.000 0.876 197 S CB 2.139 65.380 63.200 0.068 0.000 1.105 197 S HN 0.536 nan 8.310 nan 0.000 0.470 198 T N 2.314 116.937 114.554 0.115 0.000 2.991 198 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 198 T C -1.021 173.778 174.700 0.165 0.000 1.015 198 T CA -0.703 61.481 62.100 0.141 0.000 1.007 198 T CB 1.378 70.338 68.868 0.153 0.000 1.034 198 T HN 0.546 nan 8.240 nan 0.000 0.446 199 E N 2.160 122.454 120.200 0.157 0.000 2.248 199 E HA 0.676 5.026 4.350 -0.000 0.000 0.272 199 E C -0.940 175.826 176.600 0.276 0.000 1.008 199 E CA -0.846 55.638 56.400 0.140 0.000 0.856 199 E CB 1.373 31.106 29.700 0.054 0.000 1.120 199 E HN 0.605 nan 8.360 nan 0.000 0.397 200 F N -1.140 118.905 119.950 0.158 0.000 2.596 200 F HA 0.407 4.933 4.527 -0.000 0.000 0.311 200 F C -0.697 175.266 175.800 0.271 0.000 1.116 200 F CA -1.158 56.978 58.000 0.226 0.000 0.957 200 F CB 1.101 40.305 39.000 0.341 0.000 1.250 200 F HN 0.280 nan 8.300 nan 0.000 0.444 201 E N 2.785 123.155 120.200 0.283 0.000 2.283 201 E HA 0.560 4.910 4.350 -0.000 0.000 0.278 201 E C -1.521 175.289 176.600 0.349 0.000 1.027 201 E CA -0.749 55.774 56.400 0.204 0.000 0.843 201 E CB 1.691 31.458 29.700 0.111 0.000 1.062 201 E HN 0.678 nan 8.360 nan 0.000 0.401 202 V N 5.680 125.794 119.914 0.333 0.000 2.357 202 V HA 0.439 4.559 4.120 -0.000 0.000 0.284 202 V C -0.204 176.062 176.094 0.286 0.000 1.018 202 V CA -0.422 62.090 62.300 0.353 0.000 0.841 202 V CB 1.261 33.271 31.823 0.312 0.000 0.991 202 V HN 0.666 nan 8.190 nan 0.000 0.437 203 K N 3.453 124.031 120.400 0.296 0.000 2.587 203 K HA 0.428 4.748 4.320 -0.000 0.000 0.276 203 K C -1.113 175.648 176.600 0.269 0.000 0.956 203 K CA -0.728 55.711 56.287 0.254 0.000 0.857 203 K CB 2.351 34.984 32.500 0.222 0.000 1.431 203 K HN 0.663 nan 8.250 nan 0.000 0.420 204 E N 3.115 123.408 120.200 0.156 0.000 2.129 204 E HA 0.177 4.527 4.350 -0.000 0.000 0.283 204 E C -1.037 175.633 176.600 0.117 0.000 1.080 204 E CA -0.186 56.247 56.400 0.055 0.000 0.867 204 E CB 0.288 30.005 29.700 0.027 0.000 1.056 204 E HN 0.417 nan 8.360 nan 0.000 0.404 205 Y N -0.286 120.019 120.300 0.008 0.000 2.728 205 Y HA 0.689 5.239 4.550 -0.000 0.000 0.330 205 Y C -1.127 174.766 175.900 -0.011 0.000 1.234 205 Y CA -1.465 56.631 58.100 -0.006 0.000 1.070 205 Y CB 0.852 39.304 38.460 -0.013 0.000 1.300 205 Y HN 0.117 nan 8.280 nan 0.000 0.467 206 V N -0.151 119.897 119.914 0.222 0.000 2.733 206 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 206 V C -1.165 175.038 176.094 0.182 0.000 1.084 206 V CA -1.147 61.221 62.300 0.114 0.000 0.905 206 V CB 1.344 33.190 31.823 0.039 0.000 1.010 206 V HN 0.775 nan 8.190 nan 0.000 0.424 207 L N 6.262 127.579 121.223 0.156 0.000 2.500 207 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 207 L C -1.660 175.236 176.870 0.043 0.000 1.149 207 L CA -0.269 54.636 54.840 0.109 0.000 0.897 207 L CB -0.697 41.423 42.059 0.102 0.000 1.178 207 L HN 0.598 nan 8.230 nan 0.000 0.473 208 P HA 0.135 nan 4.420 nan 0.000 0.274 208 P C 0.412 177.691 177.300 -0.036 0.000 1.264 208 P CA -0.257 62.778 63.100 -0.108 0.000 0.795 208 P CB 0.512 32.049 31.700 -0.271 0.000 1.064 209 S N -1.445 114.237 115.700 -0.030 0.000 2.502 209 S HA 0.225 4.695 4.470 -0.000 0.000 0.215 209 S C 0.297 175.062 174.600 0.274 0.000 1.009 209 S CA -0.195 58.145 58.200 0.232 0.000 0.908 209 S CB -0.635 62.834 63.200 0.448 0.000 0.801 209 S HN 0.483 nan 8.310 nan 0.000 0.505 210 F N 0.953 120.878 119.950 -0.042 0.000 2.664 210 F HA 0.833 5.360 4.527 -0.000 0.000 0.317 210 F C -0.885 174.840 175.800 -0.126 0.000 1.108 210 F CA -1.319 56.565 58.000 -0.194 0.000 0.957 210 F CB 0.861 39.517 39.000 -0.573 0.000 1.365 210 F HN 0.137 nan 8.300 nan 0.000 0.475 211 E N 0.570 120.817 120.200 0.079 0.000 2.222 211 E HA 0.746 5.096 4.350 -0.000 0.000 0.267 211 E C -1.779 174.888 176.600 0.112 0.000 0.963 211 E CA -1.201 55.211 56.400 0.020 0.000 0.837 211 E CB 2.508 32.220 29.700 0.020 0.000 1.183 211 E HN 0.521 nan 8.360 nan 0.000 0.403 212 V N 2.915 122.860 119.914 0.051 0.000 2.443 212 V HA 0.365 4.485 4.120 -0.000 0.000 0.293 212 V C -0.412 175.697 176.094 0.025 0.000 1.021 212 V CA -0.596 61.742 62.300 0.062 0.000 0.848 212 V CB 1.041 32.908 31.823 0.074 0.000 0.998 212 V HN 0.635 nan 8.190 nan 0.000 0.424 213 I N 5.270 125.851 120.570 0.018 0.000 2.441 213 I HA 0.607 4.777 4.170 -0.000 0.000 0.295 213 I C -0.421 175.700 176.117 0.007 0.000 0.994 213 I CA -1.075 60.232 61.300 0.011 0.000 1.144 213 I CB 2.183 40.188 38.000 0.008 0.000 1.314 213 I HN 0.480 nan 8.210 nan 0.000 0.445 214 V N 1.808 121.728 119.914 0.010 0.000 2.357 214 V HA 0.526 4.646 4.120 -0.000 0.000 0.281 214 V C -0.624 175.482 176.094 0.020 0.000 1.015 214 V CA -0.490 61.816 62.300 0.010 0.000 0.827 214 V CB 0.903 32.729 31.823 0.005 0.000 1.018 214 V HN 0.754 nan 8.190 nan 0.000 0.432 215 E N 5.858 126.068 120.200 0.017 0.000 2.182 215 E HA 0.469 4.819 4.350 -0.000 0.000 0.258 215 E C -2.796 173.815 176.600 0.018 0.000 0.879 215 E CA -1.913 54.497 56.400 0.018 0.000 0.754 215 E CB 2.557 32.263 29.700 0.011 0.000 1.162 215 E HN 0.519 nan 8.360 nan 0.000 0.419 216 P HA -0.066 nan 4.420 nan 0.000 0.270 216 P C 1.083 178.371 177.300 -0.021 0.000 1.223 216 P CA -0.046 63.063 63.100 0.015 0.000 0.785 216 P CB 0.595 32.307 31.700 0.020 0.000 0.923 217 T N -2.089 112.445 114.554 -0.034 0.000 2.759 217 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 217 T C 0.508 175.140 174.700 -0.114 0.000 1.042 217 T CA 1.260 63.325 62.100 -0.059 0.000 1.140 217 T CB -0.325 68.508 68.868 -0.057 0.000 0.864 217 T HN 0.328 nan 8.240 nan 0.000 0.455 218 E N 0.457 120.545 120.200 -0.187 0.000 2.288 218 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 218 E C -0.276 176.161 176.600 -0.272 0.000 0.885 218 E CA -0.664 55.519 56.400 -0.361 0.000 0.767 218 E CB 1.964 31.195 29.700 -0.782 0.000 1.220 218 E HN 0.277 nan 8.360 nan 0.000 0.427 219 K N 1.423 121.725 120.400 -0.164 0.000 2.591 219 K HA 0.114 4.434 4.320 -0.000 0.000 0.197 219 K C -0.040 176.678 176.600 0.197 0.000 1.026 219 K CA 0.354 56.672 56.287 0.052 0.000 1.127 219 K CB -0.413 32.167 32.500 0.133 0.000 0.871 219 K HN 0.300 nan 8.250 nan 0.000 0.507 220 F N -3.263 116.720 119.950 0.055 0.000 3.306 220 F HA 0.446 4.973 4.527 -0.000 0.000 0.326 220 F C -1.670 174.230 175.800 0.166 0.000 1.169 220 F CA -1.801 56.251 58.000 0.086 0.000 0.883 220 F CB 0.883 39.909 39.000 0.043 0.000 1.505 220 F HN -0.194 nan 8.300 nan 0.000 0.504 221 Y N 0.966 121.462 120.300 0.327 0.000 2.362 221 Y HA 0.480 5.030 4.550 -0.000 0.000 0.326 221 Y C -1.928 174.155 175.900 0.305 0.000 1.083 221 Y CA -1.431 56.773 58.100 0.173 0.000 1.073 221 Y CB 1.235 39.722 38.460 0.045 0.000 1.211 221 Y HN 0.757 nan 8.280 nan 0.000 0.433 222 Y N 6.800 126.876 120.300 -0.374 0.000 2.335 222 Y HA 0.287 4.836 4.550 -0.000 0.000 0.331 222 Y C 0.532 176.099 175.900 -0.555 0.000 1.094 222 Y CA -0.271 57.673 58.100 -0.260 0.000 1.253 222 Y CB 0.828 39.236 38.460 -0.088 0.000 1.203 222 Y HN 0.758 nan 8.280 nan 0.000 0.508 223 I N 4.519 124.601 120.570 -0.813 0.000 2.127 223 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 223 I C 1.203 176.943 176.117 -0.629 0.000 1.075 223 I CA 1.668 62.569 61.300 -0.665 0.000 1.334 223 I CB -0.739 36.761 38.000 -0.833 0.000 1.040 223 I HN 0.673 nan 8.210 nan 0.000 0.405 224 Y N -0.185 119.780 120.300 -0.557 0.000 2.477 224 Y HA 0.105 4.655 4.550 -0.000 0.000 0.303 224 Y C 0.883 176.854 175.900 0.117 0.000 1.202 224 Y CA -0.469 57.570 58.100 -0.102 0.000 1.282 224 Y CB -1.029 37.460 38.460 0.047 0.000 1.071 224 Y HN 0.082 nan 8.280 nan 0.000 0.510 225 N N 1.974 120.779 118.700 0.175 0.000 2.421 225 N HA -0.028 4.712 4.740 -0.000 0.000 0.260 225 N C 0.627 176.164 175.510 0.045 0.000 1.173 225 N CA 0.278 53.393 53.050 0.109 0.000 0.960 225 N CB 0.316 38.753 38.487 -0.083 0.000 1.273 225 N HN 0.398 nan 8.380 nan 0.000 0.497 226 E N 2.403 122.649 120.200 0.076 0.000 2.204 226 E HA -0.172 4.177 4.350 -0.000 0.000 0.195 226 E C 0.983 177.610 176.600 0.046 0.000 0.990 226 E CA 0.957 57.393 56.400 0.060 0.000 0.821 226 E CB 0.209 29.942 29.700 0.055 0.000 0.750 226 E HN 0.619 nan 8.360 nan 0.000 0.477 227 K N 0.340 120.760 120.400 0.034 0.000 2.152 227 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 227 K C 1.132 177.757 176.600 0.041 0.000 1.048 227 K CA 0.675 56.977 56.287 0.024 0.000 0.933 227 K CB -0.142 32.363 32.500 0.008 0.000 0.721 227 K HN 0.214 nan 8.250 nan 0.000 0.447 228 G N 0.991 109.847 108.800 0.092 0.000 2.587 228 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.212 228 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.212 228 G C -1.505 173.543 174.900 0.248 0.000 1.327 228 G CA -0.487 44.721 45.100 0.179 0.000 0.898 228 G HN 0.131 nan 8.290 nan 0.000 0.551 229 L N 1.350 122.625 121.223 0.086 0.000 2.277 229 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 229 L C 0.279 177.124 176.870 -0.042 0.000 1.028 229 L CA -0.558 54.296 54.840 0.024 0.000 0.835 229 L CB 0.672 42.610 42.059 -0.201 0.000 1.215 229 L HN 0.568 nan 8.230 nan 0.000 0.425 230 E N 4.102 124.309 120.200 0.012 0.000 2.229 230 E HA 0.440 4.790 4.350 -0.000 0.000 0.283 230 E C -1.028 175.602 176.600 0.051 0.000 1.030 230 E CA -0.527 55.889 56.400 0.026 0.000 0.836 230 E CB 1.899 31.605 29.700 0.010 0.000 1.068 230 E HN 0.385 nan 8.360 nan 0.000 0.401 231 V N 3.204 123.177 119.914 0.098 0.000 2.540 231 V HA 0.233 4.353 4.120 -0.000 0.000 0.302 231 V C 0.063 176.190 176.094 0.055 0.000 1.035 231 V CA -0.770 61.589 62.300 0.098 0.000 0.873 231 V CB 2.094 34.022 31.823 0.176 0.000 0.992 231 V HN 0.678 nan 8.190 nan 0.000 0.428 232 T N 6.022 120.593 114.554 0.029 0.000 2.845 232 T HA 0.513 4.862 4.350 -0.000 0.000 0.288 232 T C -0.180 174.521 174.700 0.002 0.000 0.980 232 T CA -0.179 61.927 62.100 0.011 0.000 1.071 232 T CB 0.619 69.489 68.868 0.003 0.000 0.941 232 T HN 0.323 nan 8.240 nan 0.000 0.487 233 I N 4.034 124.598 120.570 -0.010 0.000 2.412 233 I HA 0.227 4.397 4.170 -0.000 0.000 0.279 233 I C 0.410 176.511 176.117 -0.026 0.000 1.063 233 I CA -0.472 60.816 61.300 -0.020 0.000 1.193 233 I CB 0.217 38.196 38.000 -0.035 0.000 1.370 233 I HN 0.535 nan 8.210 nan 0.000 0.479 234 T N 5.285 119.828 114.554 -0.018 0.000 2.744 234 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 234 T C 0.201 174.886 174.700 -0.025 0.000 0.957 234 T CA -0.462 61.624 62.100 -0.023 0.000 1.002 234 T CB 1.490 70.350 68.868 -0.014 0.000 0.919 234 T HN 0.660 nan 8.240 nan 0.000 0.468 235 A N 4.606 127.393 122.820 -0.055 0.000 2.375 235 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 235 A C -0.208 177.289 177.584 -0.146 0.000 1.066 235 A CA -1.120 50.875 52.037 -0.071 0.000 0.722 235 A CB 1.092 20.029 19.000 -0.104 0.000 1.206 235 A HN 0.909 nan 8.150 nan 0.000 0.435 236 R N 1.338 121.774 120.500 -0.106 0.000 2.771 236 R HA 0.774 5.113 4.340 -0.000 0.000 0.274 236 R C -1.336 174.881 176.300 -0.138 0.000 0.987 236 R CA -0.750 55.269 56.100 -0.135 0.000 0.908 236 R CB 0.853 31.131 30.300 -0.037 0.000 1.213 236 R HN 0.320 nan 8.270 nan 0.000 0.468 237 F N 1.035 120.874 119.950 -0.185 0.000 2.532 237 F HA 0.057 4.583 4.527 -0.000 0.000 0.323 237 F C 1.788 177.393 175.800 -0.325 0.000 1.234 237 F CA -0.139 57.660 58.000 -0.335 0.000 1.323 237 F CB 0.404 38.809 39.000 -0.992 0.000 1.183 237 F HN 0.390 nan 8.300 nan 0.000 0.589 238 L N 0.806 122.002 121.223 -0.045 0.000 2.465 238 L HA -0.173 4.167 4.340 -0.000 0.000 0.224 238 L C 0.842 177.766 176.870 0.090 0.000 1.145 238 L CA 0.710 55.582 54.840 0.053 0.000 0.834 238 L CB -0.677 41.471 42.059 0.149 0.000 0.944 238 L HN 0.687 nan 8.230 nan 0.000 0.451 239 Y N -2.926 117.482 120.300 0.180 0.000 2.607 239 Y HA 0.627 5.177 4.550 -0.000 0.000 0.266 239 Y C 1.405 177.365 175.900 0.099 0.000 1.178 239 Y CA -0.143 58.022 58.100 0.109 0.000 1.226 239 Y CB -0.141 38.359 38.460 0.066 0.000 1.144 239 Y HN 0.017 nan 8.280 nan 0.000 0.528 240 G N 0.134 108.958 108.800 0.039 0.000 2.399 240 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 240 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 240 G C 0.401 175.338 174.900 0.062 0.000 1.096 240 G CA -0.301 44.839 45.100 0.065 0.000 0.650 240 G HN 0.137 nan 8.290 nan 0.000 0.512 241 K N 1.871 122.326 120.400 0.092 0.000 2.455 241 K HA 0.261 4.581 4.320 -0.000 0.000 0.269 241 K C 0.844 177.564 176.600 0.201 0.000 0.972 241 K CA 0.420 56.796 56.287 0.149 0.000 0.938 241 K CB 0.357 32.978 32.500 0.201 0.000 0.931 241 K HN 0.592 nan 8.250 nan 0.000 0.507 242 K N 0.347 120.854 120.400 0.179 0.000 2.090 242 K HA 0.326 4.646 4.320 -0.000 0.000 0.250 242 K C -0.215 176.464 176.600 0.132 0.000 1.004 242 K CA -0.781 55.567 56.287 0.101 0.000 0.919 242 K CB 0.862 33.391 32.500 0.048 0.000 1.045 242 K HN 0.121 nan 8.250 nan 0.000 0.471 243 V N 2.187 122.022 119.914 -0.132 0.000 2.435 243 V HA 0.145 4.265 4.120 -0.000 0.000 0.290 243 V C -0.419 175.567 176.094 -0.180 0.000 1.030 243 V CA -0.658 61.430 62.300 -0.353 0.000 0.881 243 V CB 1.502 32.813 31.823 -0.852 0.000 0.983 243 V HN 0.625 nan 8.190 nan 0.000 0.445 244 E N 3.650 123.810 120.200 -0.067 0.000 2.114 244 E HA 0.694 5.044 4.350 -0.000 0.000 0.266 244 E C 0.235 176.807 176.600 -0.048 0.000 0.896 244 E CA 0.003 56.441 56.400 0.063 0.000 0.750 244 E CB 1.984 31.807 29.700 0.205 0.000 1.121 244 E HN 0.924 nan 8.360 nan 0.000 0.413 245 G N 1.559 110.205 108.800 -0.257 0.000 2.510 245 G HA2 0.371 4.331 3.960 -0.000 0.000 0.277 245 G HA3 0.371 4.331 3.960 -0.000 0.000 0.277 245 G C -0.982 173.661 174.900 -0.427 0.000 1.223 245 G CA -0.411 44.282 45.100 -0.679 0.000 0.887 245 G HN 0.272 nan 8.290 nan 0.000 0.485 246 T N 0.036 114.376 114.554 -0.356 0.000 2.907 246 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 246 T C -0.257 174.248 174.700 -0.324 0.000 1.043 246 T CA 0.267 62.179 62.100 -0.312 0.000 1.003 246 T CB 1.697 70.367 68.868 -0.329 0.000 1.084 246 T HN 1.335 nan 8.240 nan 0.000 0.483 247 A N 1.627 124.203 122.820 -0.407 0.000 2.355 247 A HA 0.869 5.189 4.320 -0.000 0.000 0.324 247 A C -1.429 175.827 177.584 -0.547 0.000 1.117 247 A CA -0.707 51.142 52.037 -0.313 0.000 0.785 247 A CB 0.706 19.607 19.000 -0.166 0.000 1.254 247 A HN 0.738 nan 8.150 nan 0.000 0.453 248 F N 1.702 121.623 119.950 -0.048 0.000 2.434 248 F HA 0.473 5.000 4.527 -0.000 0.000 0.367 248 F C 0.066 175.816 175.800 -0.085 0.000 1.093 248 F CA -0.592 57.377 58.000 -0.053 0.000 1.085 248 F CB 1.931 40.908 39.000 -0.038 0.000 1.322 248 F HN 0.393 nan 8.300 nan 0.000 0.452 249 V N 5.946 125.854 119.914 -0.009 0.000 2.547 249 V HA 0.699 4.819 4.120 -0.000 0.000 0.299 249 V C -0.937 175.025 176.094 -0.220 0.000 1.040 249 V CA -0.677 61.530 62.300 -0.155 0.000 0.913 249 V CB 1.883 33.559 31.823 -0.245 0.000 0.992 249 V HN 0.697 nan 8.190 nan 0.000 0.449 250 I N 5.293 125.659 120.570 -0.340 0.000 2.722 250 I HA 0.557 4.727 4.170 -0.000 0.000 0.295 250 I C -1.425 174.402 176.117 -0.483 0.000 1.161 250 I CA -0.589 60.534 61.300 -0.295 0.000 1.032 250 I CB 2.072 40.022 38.000 -0.083 0.000 1.244 250 I HN 0.654 nan 8.210 nan 0.000 0.421 251 F N 4.105 123.967 119.950 -0.146 0.000 2.452 251 F HA 0.935 5.462 4.527 -0.000 0.000 0.353 251 F C 0.866 176.375 175.800 -0.485 0.000 1.089 251 F CA -0.361 57.458 58.000 -0.301 0.000 1.080 251 F CB 1.648 40.500 39.000 -0.247 0.000 1.399 251 F HN 0.468 nan 8.300 nan 0.000 0.492 252 G N -0.046 108.426 108.800 -0.547 0.000 2.442 252 G HA2 0.467 4.427 3.960 -0.000 0.000 0.296 252 G HA3 0.467 4.427 3.960 -0.000 0.000 0.296 252 G C -2.022 172.556 174.900 -0.538 0.000 1.564 252 G CA -0.907 43.786 45.100 -0.680 0.000 0.828 252 G HN 0.517 nan 8.290 nan 0.000 0.571 253 I N 0.625 121.138 120.570 -0.095 0.000 2.385 253 I HA 0.401 4.571 4.170 -0.000 0.000 0.294 253 I C 0.238 176.491 176.117 0.226 0.000 0.988 253 I CA -0.595 60.728 61.300 0.039 0.000 1.265 253 I CB 2.025 40.025 38.000 0.000 0.000 1.388 253 I HN 0.473 nan 8.210 nan 0.000 0.480 254 Q N 5.267 125.201 119.800 0.223 0.000 2.394 254 Q HA 0.195 4.535 4.340 -0.000 0.000 0.259 254 Q C -0.853 175.203 176.000 0.093 0.000 1.021 254 Q CA -0.614 55.300 55.803 0.184 0.000 0.805 254 Q CB 1.308 30.159 28.738 0.188 0.000 1.226 254 Q HN 0.591 nan 8.270 nan 0.000 0.476 255 D N 2.231 122.671 120.400 0.067 0.000 2.376 255 D HA 0.223 4.863 4.640 -0.000 0.000 0.268 255 D C -0.010 176.309 176.300 0.032 0.000 1.252 255 D CA -0.018 54.007 54.000 0.042 0.000 1.041 255 D CB 0.575 41.394 40.800 0.033 0.000 1.109 255 D HN 0.657 nan 8.370 nan 0.000 0.552 256 G N 0.567 109.381 108.800 0.024 0.000 2.428 256 G HA2 0.165 4.125 3.960 -0.000 0.000 0.290 256 G HA3 0.165 4.125 3.960 -0.000 0.000 0.290 256 G C -0.148 174.759 174.900 0.011 0.000 0.996 256 G CA 0.106 45.217 45.100 0.019 0.000 1.406 256 G HN 0.573 nan 8.290 nan 0.000 0.445 257 E N -0.704 119.500 120.200 0.007 0.000 2.440 257 E HA -0.224 4.126 4.350 -0.000 0.000 0.246 257 E C 0.289 176.884 176.600 -0.008 0.000 1.165 257 E CA 1.517 57.914 56.400 -0.005 0.000 0.726 257 E CB -1.278 28.419 29.700 -0.005 0.000 1.271 257 E HN 0.851 nan 8.360 nan 0.000 0.397 258 Q N -0.316 119.483 119.800 -0.002 0.000 2.377 258 Q HA 0.541 4.881 4.340 -0.000 0.000 0.279 258 Q C -1.200 174.807 176.000 0.013 0.000 1.049 258 Q CA -0.883 54.921 55.803 0.001 0.000 0.825 258 Q CB 1.386 30.131 28.738 0.012 0.000 1.401 258 Q HN 0.139 nan 8.270 nan 0.000 0.404 259 R N 3.063 123.569 120.500 0.010 0.000 2.476 259 R HA 0.504 4.844 4.340 -0.000 0.000 0.305 259 R C -0.814 175.551 176.300 0.108 0.000 0.965 259 R CA -0.753 55.380 56.100 0.056 0.000 0.867 259 R CB 1.344 31.585 30.300 -0.099 0.000 1.176 259 R HN 0.504 nan 8.270 nan 0.000 0.447 260 I N 2.450 123.119 120.570 0.165 0.000 2.388 260 I HA 0.121 4.291 4.170 -0.000 0.000 0.281 260 I C 0.719 176.920 176.117 0.140 0.000 1.046 260 I CA -0.276 61.094 61.300 0.117 0.000 1.187 260 I CB 0.822 38.864 38.000 0.069 0.000 1.351 260 I HN 0.521 nan 8.210 nan 0.000 0.472 261 S N 6.560 122.353 115.700 0.154 0.000 2.566 261 S HA 0.318 4.788 4.470 -0.000 0.000 0.280 261 S C 0.041 174.671 174.600 0.050 0.000 1.343 261 S CA -0.055 58.226 58.200 0.134 0.000 1.036 261 S CB 0.390 63.666 63.200 0.126 0.000 0.866 261 S HN 0.466 nan 8.310 nan 0.000 0.526 262 L N 6.188 127.421 121.223 0.016 0.000 2.387 262 L HA 0.318 4.658 4.340 -0.000 0.000 0.259 262 L C -1.838 175.048 176.870 0.027 0.000 1.050 262 L CA -1.759 53.087 54.840 0.010 0.000 0.922 262 L CB 1.333 43.387 42.059 -0.009 0.000 1.280 262 L HN 0.523 nan 8.230 nan 0.000 0.449 263 P HA -0.190 nan 4.420 nan 0.000 0.219 263 P C 1.295 178.614 177.300 0.032 0.000 1.146 263 P CA 1.007 64.125 63.100 0.029 0.000 0.808 263 P CB 0.389 32.103 31.700 0.023 0.000 0.779 264 E N 0.195 120.412 120.200 0.028 0.000 2.208 264 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 264 E C 0.532 177.158 176.600 0.044 0.000 0.988 264 E CA 0.687 57.103 56.400 0.027 0.000 0.828 264 E CB -0.126 29.582 29.700 0.013 0.000 0.763 264 E HN 0.188 nan 8.360 nan 0.000 0.478 265 S N 1.050 116.791 115.700 0.068 0.000 3.149 265 S HA 0.227 4.697 4.470 -0.000 0.000 0.228 265 S C -0.254 174.445 174.600 0.165 0.000 1.393 265 S CA -0.668 57.618 58.200 0.144 0.000 1.224 265 S CB 0.064 63.395 63.200 0.218 0.000 1.112 265 S HN 0.153 nan 8.310 nan 0.000 0.502 266 L N 1.804 123.084 121.223 0.095 0.000 2.313 266 L HA 0.712 5.052 4.340 -0.000 0.000 0.283 266 L C -0.832 176.079 176.870 0.069 0.000 1.013 266 L CA -0.073 54.809 54.840 0.069 0.000 0.816 266 L CB 1.148 43.243 42.059 0.060 0.000 1.236 266 L HN 0.133 nan 8.230 nan 0.000 0.419 267 K N 4.218 124.649 120.400 0.052 0.000 2.444 267 K HA 0.522 4.842 4.320 -0.000 0.000 0.252 267 K C -1.080 175.511 176.600 -0.016 0.000 0.993 267 K CA -0.719 55.586 56.287 0.030 0.000 0.847 267 K CB 2.318 34.842 32.500 0.041 0.000 1.340 267 K HN 0.561 nan 8.250 nan 0.000 0.446 268 R N 2.366 122.828 120.500 -0.063 0.000 2.547 268 R HA 0.311 4.651 4.340 -0.000 0.000 0.280 268 R C -0.416 175.773 176.300 -0.185 0.000 1.630 268 R CA -0.290 55.692 56.100 -0.197 0.000 1.470 268 R CB -0.091 30.107 30.300 -0.170 0.000 1.178 268 R HN 0.697 nan 8.270 nan 0.000 0.591 269 I N 0.522 120.983 120.570 -0.180 0.000 2.342 269 I HA 0.563 4.733 4.170 -0.000 0.000 0.291 269 I C -2.418 173.604 176.117 -0.158 0.000 1.010 269 I CA -2.798 58.425 61.300 -0.128 0.000 1.308 269 I CB 1.222 39.173 38.000 -0.082 0.000 1.400 269 I HN 0.219 nan 8.210 nan 0.000 0.488 270 P HA 0.175 nan 4.420 nan 0.000 0.271 270 P C -0.576 176.675 177.300 -0.082 0.000 1.216 270 P CA -0.082 62.960 63.100 -0.096 0.000 0.771 270 P CB 0.534 32.209 31.700 -0.042 0.000 0.864 271 I N 3.608 124.120 120.570 -0.096 0.000 2.276 271 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 271 I C 0.711 176.804 176.117 -0.039 0.000 1.109 271 I CA -0.070 61.178 61.300 -0.087 0.000 1.229 271 I CB -0.613 37.304 38.000 -0.139 0.000 1.452 271 I HN 0.309 nan 8.210 nan 0.000 0.497 272 E N 4.287 124.476 120.200 -0.019 0.000 2.204 272 E HA 0.170 4.520 4.350 -0.000 0.000 0.276 272 E C -0.032 176.564 176.600 -0.007 0.000 0.974 272 E CA -0.533 55.869 56.400 0.004 0.000 0.815 272 E CB 1.322 31.025 29.700 0.005 0.000 1.119 272 E HN 0.358 nan 8.360 nan 0.000 0.393 273 D N 1.883 122.285 120.400 0.004 0.000 2.870 273 D HA -0.175 4.465 4.640 -0.000 0.000 0.228 273 D C 0.445 176.739 176.300 -0.009 0.000 1.147 273 D CA 1.542 55.543 54.000 0.003 0.000 0.757 273 D CB -1.218 39.583 40.800 0.001 0.000 1.091 273 D HN 0.936 nan 8.370 nan 0.000 0.429 274 G N -1.061 107.722 108.800 -0.028 0.000 2.246 274 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.273 274 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.273 274 G C 0.052 174.919 174.900 -0.056 0.000 1.055 274 G CA 1.291 46.356 45.100 -0.059 0.000 0.851 274 G HN 1.321 nan 8.290 nan 0.000 0.500 275 S N -2.007 113.662 115.700 -0.052 0.000 2.578 275 S HA 0.851 5.321 4.470 -0.000 0.000 0.272 275 S C 0.008 174.582 174.600 -0.043 0.000 1.145 275 S CA 0.613 58.787 58.200 -0.043 0.000 0.835 275 S CB 1.320 64.504 63.200 -0.026 0.000 1.104 275 S HN 1.889 nan 8.310 nan 0.000 0.458 276 G N 0.764 109.541 108.800 -0.039 0.000 2.788 276 G HA2 0.691 4.651 3.960 -0.000 0.000 0.293 276 G HA3 0.691 4.651 3.960 -0.000 0.000 0.293 276 G C -1.881 173.005 174.900 -0.023 0.000 1.392 276 G CA -0.478 44.598 45.100 -0.039 0.000 0.810 276 G HN 0.676 nan 8.290 nan 0.000 0.508 277 E N -1.051 119.138 120.200 -0.018 0.000 2.307 277 E HA 0.525 4.875 4.350 -0.000 0.000 0.280 277 E C -1.795 174.811 176.600 0.011 0.000 0.900 277 E CA -0.568 55.831 56.400 -0.001 0.000 0.790 277 E CB 2.047 31.747 29.700 -0.001 0.000 1.261 277 E HN 0.761 nan 8.360 nan 0.000 0.405 278 V N 4.748 124.686 119.914 0.041 0.000 2.789 278 V HA 0.791 4.911 4.120 -0.000 0.000 0.311 278 V C -1.473 174.694 176.094 0.120 0.000 1.073 278 V CA -0.574 61.775 62.300 0.081 0.000 0.921 278 V CB 2.033 33.916 31.823 0.100 0.000 1.009 278 V HN 0.558 nan 8.190 nan 0.000 0.426 279 V N 6.772 126.746 119.914 0.099 0.000 2.588 279 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 279 V C -0.548 175.528 176.094 -0.030 0.000 1.042 279 V CA -0.681 61.641 62.300 0.038 0.000 0.877 279 V CB 1.638 33.467 31.823 0.010 0.000 0.996 279 V HN 0.783 nan 8.190 nan 0.000 0.425 280 L N 5.899 126.979 121.223 -0.239 0.000 2.282 280 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 280 L C 0.774 177.485 176.870 -0.265 0.000 1.075 280 L CA 0.162 54.707 54.840 -0.492 0.000 0.839 280 L CB 0.919 42.217 42.059 -1.269 0.000 1.219 280 L HN 0.829 nan 8.230 nan 0.000 0.434 281 S N 3.758 119.368 115.700 -0.150 0.000 2.552 281 S HA 0.058 4.528 4.470 -0.000 0.000 0.289 281 S C 1.246 175.795 174.600 -0.085 0.000 1.304 281 S CA -0.095 58.057 58.200 -0.079 0.000 1.063 281 S CB 0.470 63.643 63.200 -0.045 0.000 0.848 281 S HN 0.829 nan 8.310 nan 0.000 0.499 282 R N 1.312 121.798 120.500 -0.024 0.000 2.193 282 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 282 R C 1.960 178.248 176.300 -0.021 0.000 1.110 282 R CA 1.425 57.529 56.100 0.007 0.000 0.988 282 R CB -0.218 30.121 30.300 0.064 0.000 0.871 282 R HN 0.718 nan 8.270 nan 0.000 0.458 283 K N 0.193 120.579 120.400 -0.023 0.000 2.002 283 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 283 K C 1.748 178.326 176.600 -0.036 0.000 1.048 283 K CA 1.847 58.121 56.287 -0.021 0.000 0.930 283 K CB -0.462 32.030 32.500 -0.013 0.000 0.714 283 K HN 0.042 nan 8.250 nan 0.000 0.438 284 V N 1.265 121.149 119.914 -0.050 0.000 2.407 284 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 284 V C 2.304 178.352 176.094 -0.077 0.000 1.055 284 V CA 1.641 63.908 62.300 -0.055 0.000 1.049 284 V CB -0.594 31.195 31.823 -0.057 0.000 0.662 284 V HN 0.345 nan 8.190 nan 0.000 0.455 285 L N -0.178 120.976 121.223 -0.115 0.000 2.042 285 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 285 L C 2.157 178.972 176.870 -0.091 0.000 1.076 285 L CA 1.987 56.742 54.840 -0.143 0.000 0.749 285 L CB -0.521 41.415 42.059 -0.205 0.000 0.893 285 L HN 0.225 nan 8.230 nan 0.000 0.432 286 L N -0.987 120.198 121.223 -0.063 0.000 2.217 286 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 286 L C 1.961 178.810 176.870 -0.034 0.000 1.107 286 L CA 0.733 55.547 54.840 -0.044 0.000 0.783 286 L CB -0.731 41.309 42.059 -0.031 0.000 0.919 286 L HN 0.239 nan 8.230 nan 0.000 0.442 287 D N 0.279 120.659 120.400 -0.032 0.000 2.224 287 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 287 D C 2.103 178.391 176.300 -0.021 0.000 0.965 287 D CA 1.173 55.160 54.000 -0.022 0.000 0.852 287 D CB -0.222 40.567 40.800 -0.018 0.000 0.947 287 D HN 0.286 nan 8.370 nan 0.000 0.494 288 G N 1.233 110.015 108.800 -0.031 0.000 2.511 288 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 288 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 288 G C 0.890 175.780 174.900 -0.017 0.000 1.218 288 G CA 1.335 46.420 45.100 -0.025 0.000 0.788 288 G HN 0.313 nan 8.290 nan 0.000 0.560 289 V N -1.879 118.022 119.914 -0.022 0.000 3.051 289 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 289 V C 0.560 176.648 176.094 -0.011 0.000 1.083 289 V CA -0.458 61.834 62.300 -0.014 0.000 1.104 289 V CB 1.451 33.263 31.823 -0.018 0.000 1.027 289 V HN 0.269 nan 8.190 nan 0.000 0.483 290 Q N 1.447 121.244 119.800 -0.006 0.000 2.228 290 Q HA 0.255 4.595 4.340 -0.000 0.000 0.211 290 Q C -0.120 175.877 176.000 -0.005 0.000 0.890 290 Q CA 0.106 55.907 55.803 -0.004 0.000 0.953 290 Q CB -0.364 28.373 28.738 -0.001 0.000 1.053 290 Q HN 0.834 nan 8.270 nan 0.000 0.471 291 N N 1.348 120.043 118.700 -0.009 0.000 2.476 291 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 291 N C -1.971 173.532 175.510 -0.012 0.000 0.970 291 N CA -1.852 51.192 53.050 -0.009 0.000 0.938 291 N CB 1.808 40.289 38.487 -0.010 0.000 1.144 291 N HN -0.178 nan 8.380 nan 0.000 0.500 292 P HA -0.103 nan 4.420 nan 0.000 0.215 292 P C 0.065 177.359 177.300 -0.011 0.000 1.157 292 P CA 0.967 64.063 63.100 -0.007 0.000 0.868 292 P CB 0.255 31.954 31.700 -0.002 0.000 0.788 293 R N -0.090 120.403 120.500 -0.010 0.000 2.489 293 R HA 0.282 4.621 4.340 -0.000 0.000 0.287 293 R C 1.000 177.278 176.300 -0.036 0.000 1.053 293 R CA 0.240 56.331 56.100 -0.014 0.000 1.036 293 R CB 0.307 30.603 30.300 -0.006 0.000 0.966 293 R HN 0.029 nan 8.270 nan 0.000 0.432 294 A N 3.779 126.563 122.820 -0.061 0.000 2.132 294 A HA -0.006 4.314 4.320 -0.000 0.000 0.213 294 A C 1.251 178.748 177.584 -0.145 0.000 1.154 294 A CA 0.474 52.444 52.037 -0.112 0.000 0.753 294 A CB 0.093 18.992 19.000 -0.168 0.000 0.826 294 A HN 0.824 nan 8.150 nan 0.000 0.469 295 E N 0.753 120.889 120.200 -0.108 0.000 2.478 295 E HA -0.056 4.294 4.350 -0.000 0.000 0.198 295 E C 0.695 177.263 176.600 -0.052 0.000 1.046 295 E CA 0.615 56.962 56.400 -0.088 0.000 0.870 295 E CB -0.040 29.648 29.700 -0.021 0.000 0.818 295 E HN 0.515 nan 8.360 nan 0.000 0.527 296 D N -0.404 119.969 120.400 -0.044 0.000 2.323 296 D HA 0.009 4.649 4.640 -0.000 0.000 0.209 296 D C 1.380 177.664 176.300 -0.026 0.000 0.973 296 D CA 0.387 54.372 54.000 -0.025 0.000 0.874 296 D CB 0.306 41.095 40.800 -0.018 0.000 0.930 296 D HN 0.263 nan 8.370 nan 0.000 0.521 297 L N 0.798 121.996 121.223 -0.042 0.000 2.554 297 L HA 0.041 4.381 4.340 -0.000 0.000 0.226 297 L C 0.569 177.426 176.870 -0.021 0.000 1.137 297 L CA 0.027 54.848 54.840 -0.032 0.000 0.863 297 L CB 0.206 42.239 42.059 -0.043 0.000 0.985 297 L HN -0.233 nan 8.230 nan 0.000 0.451 298 V N 1.403 121.296 119.914 -0.034 0.000 2.425 298 V HA 0.244 4.364 4.120 -0.000 0.000 0.276 298 V C 1.206 177.303 176.094 0.004 0.000 1.017 298 V CA 1.174 63.461 62.300 -0.021 0.000 1.062 298 V CB 0.072 31.875 31.823 -0.033 0.000 0.997 298 V HN 0.627 nan 8.190 nan 0.000 0.476 299 G N 4.537 113.349 108.800 0.021 0.000 2.481 299 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G C 0.412 175.335 174.900 0.038 0.000 1.012 299 G CA -0.166 44.952 45.100 0.030 0.000 0.676 299 G HN 0.559 nan 8.290 nan 0.000 0.488 300 K N 0.886 121.306 120.400 0.033 0.000 2.332 300 K HA 0.615 4.935 4.320 -0.000 0.000 0.246 300 K C 0.644 177.276 176.600 0.054 0.000 1.066 300 K CA 0.489 56.799 56.287 0.040 0.000 0.898 300 K CB 0.611 33.128 32.500 0.027 0.000 1.192 300 K HN 0.617 nan 8.250 nan 0.000 0.509 301 S N -0.762 114.975 115.700 0.062 0.000 2.651 301 S HA 0.625 5.095 4.470 -0.000 0.000 0.279 301 S C -0.999 173.646 174.600 0.075 0.000 1.148 301 S CA -1.096 57.150 58.200 0.077 0.000 0.837 301 S CB 0.919 64.177 63.200 0.097 0.000 1.138 301 S HN 0.377 nan 8.310 nan 0.000 0.478 302 L N 1.232 122.495 121.223 0.068 0.000 2.341 302 L HA 0.706 5.046 4.340 -0.000 0.000 0.267 302 L C -1.434 175.518 176.870 0.137 0.000 1.009 302 L CA -1.116 53.740 54.840 0.026 0.000 0.819 302 L CB 1.917 43.922 42.059 -0.091 0.000 1.323 302 L HN 0.950 nan 8.230 nan 0.000 0.425 303 Y N -0.256 120.084 120.300 0.067 0.000 2.442 303 Y HA 0.784 5.333 4.550 -0.000 0.000 0.344 303 Y C -1.137 174.798 175.900 0.058 0.000 0.976 303 Y CA -1.280 56.854 58.100 0.056 0.000 1.040 303 Y CB 1.233 39.710 38.460 0.028 0.000 1.228 303 Y HN 0.137 nan 8.280 nan 0.000 0.451 304 V N 2.868 122.849 119.914 0.112 0.000 2.483 304 V HA 0.539 4.658 4.120 -0.000 0.000 0.295 304 V C -0.364 175.714 176.094 -0.026 0.000 1.035 304 V CA -0.595 61.656 62.300 -0.083 0.000 0.896 304 V CB 1.611 33.380 31.823 -0.089 0.000 0.986 304 V HN 0.860 nan 8.190 nan 0.000 0.447 305 S N 3.653 119.284 115.700 -0.116 0.000 2.653 305 S HA 0.739 5.209 4.470 -0.000 0.000 0.272 305 S C -0.172 174.381 174.600 -0.078 0.000 1.221 305 S CA -0.168 58.012 58.200 -0.034 0.000 1.149 305 S CB 0.457 63.682 63.200 0.042 0.000 1.029 305 S HN 1.065 nan 8.310 nan 0.000 0.481 306 A N 3.208 125.995 122.820 -0.055 0.000 2.269 306 A HA 0.887 5.207 4.320 -0.000 0.000 0.319 306 A C -0.121 177.481 177.584 0.030 0.000 1.110 306 A CA -0.578 51.441 52.037 -0.031 0.000 0.847 306 A CB 1.072 20.046 19.000 -0.043 0.000 1.161 306 A HN 0.641 nan 8.150 nan 0.000 0.497 307 T N 0.766 115.372 114.554 0.086 0.000 3.335 307 T HA 0.398 4.748 4.350 -0.000 0.000 0.321 307 T C -1.035 173.784 174.700 0.197 0.000 0.960 307 T CA -0.320 61.863 62.100 0.139 0.000 1.034 307 T CB 0.918 69.877 68.868 0.153 0.000 1.040 307 T HN 0.501 nan 8.240 nan 0.000 0.454 308 V N 5.052 125.071 119.914 0.175 0.000 2.481 308 V HA 0.587 4.707 4.120 -0.000 0.000 0.286 308 V C -0.084 176.154 176.094 0.240 0.000 1.042 308 V CA -0.612 61.785 62.300 0.162 0.000 0.928 308 V CB 1.284 33.202 31.823 0.160 0.000 0.986 308 V HN 0.764 nan 8.190 nan 0.000 0.462 309 I N 5.226 125.869 120.570 0.123 0.000 2.478 309 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 309 I C -0.129 175.954 176.117 -0.056 0.000 1.042 309 I CA -0.520 60.855 61.300 0.125 0.000 1.067 309 I CB 1.891 40.003 38.000 0.187 0.000 1.233 309 I HN 0.415 nan 8.210 nan 0.000 0.431 310 L N 4.559 125.765 121.223 -0.029 0.000 2.473 310 L HA 0.049 4.389 4.340 -0.000 0.000 0.265 310 L C 1.120 177.923 176.870 -0.113 0.000 1.243 310 L CA 0.085 54.858 54.840 -0.111 0.000 0.822 310 L CB 0.105 42.192 42.059 0.046 0.000 1.101 310 L HN 0.636 nan 8.230 nan 0.000 0.507 311 H N -1.226 117.863 119.070 0.032 0.000 2.547 311 H HA -0.068 4.488 4.556 -0.000 0.000 0.272 311 H C 1.980 177.341 175.328 0.054 0.000 0.989 311 H CA 0.991 57.062 56.048 0.038 0.000 1.214 311 H CB 0.226 30.003 29.762 0.025 0.000 1.389 311 H HN 0.669 nan 8.280 nan 0.000 0.577 312 S N -0.958 114.840 115.700 0.162 0.000 2.503 312 S HA 0.104 4.574 4.470 -0.000 0.000 0.217 312 S C 1.795 176.458 174.600 0.105 0.000 0.999 312 S CA 0.222 58.499 58.200 0.128 0.000 0.914 312 S CB 0.074 63.352 63.200 0.130 0.000 0.782 312 S HN 0.537 nan 8.310 nan 0.000 0.520 313 G N 0.893 109.754 108.800 0.101 0.000 2.295 313 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.287 313 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.287 313 G C 0.501 175.457 174.900 0.092 0.000 1.055 313 G CA 0.460 45.614 45.100 0.090 0.000 0.922 313 G HN 0.590 nan 8.290 nan 0.000 0.503 314 S N -1.159 114.611 115.700 0.117 0.000 2.506 314 S HA 0.286 4.756 4.470 -0.000 0.000 0.219 314 S C 0.485 175.161 174.600 0.125 0.000 1.031 314 S CA 0.654 58.923 58.200 0.115 0.000 0.911 314 S CB 0.707 63.984 63.200 0.129 0.000 0.812 314 S HN 0.678 nan 8.310 nan 0.000 0.497 315 D N 0.126 120.625 120.400 0.166 0.000 2.581 315 D HA 0.583 5.223 4.640 -0.000 0.000 0.232 315 D C -1.215 175.182 176.300 0.162 0.000 1.143 315 D CA -0.437 53.656 54.000 0.155 0.000 0.881 315 D CB 1.620 42.559 40.800 0.231 0.000 1.500 315 D HN 0.019 nan 8.370 nan 0.000 0.458 316 M N 2.995 122.622 119.600 0.045 0.000 2.265 316 M HA 0.371 4.851 4.480 -0.000 0.000 0.251 316 M C -2.170 174.089 176.300 -0.069 0.000 1.005 316 M CA -0.523 54.810 55.300 0.055 0.000 0.998 316 M CB 1.234 33.862 32.600 0.047 0.000 2.070 316 M HN 0.133 nan 8.290 nan 0.000 0.476 317 V N 4.346 124.198 119.914 -0.105 0.000 2.547 317 V HA 0.499 4.619 4.120 -0.000 0.000 0.299 317 V C -0.479 175.590 176.094 -0.041 0.000 1.040 317 V CA -0.483 61.708 62.300 -0.182 0.000 0.913 317 V CB 1.975 33.550 31.823 -0.414 0.000 0.992 317 V HN 0.807 nan 8.190 nan 0.000 0.449 318 Q N 2.673 122.443 119.800 -0.049 0.000 2.333 318 Q HA 0.758 5.098 4.340 -0.000 0.000 0.268 318 Q C -0.400 175.588 176.000 -0.020 0.000 1.007 318 Q CA -0.356 55.437 55.803 -0.017 0.000 0.810 318 Q CB 2.305 31.031 28.738 -0.020 0.000 1.264 318 Q HN 0.913 nan 8.270 nan 0.000 0.452 319 A N 2.691 125.509 122.820 -0.004 0.000 2.309 319 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 319 A C -0.930 176.656 177.584 0.004 0.000 1.134 319 A CA -0.461 51.574 52.037 -0.003 0.000 0.866 319 A CB 1.757 20.759 19.000 0.003 0.000 1.329 319 A HN 0.741 nan 8.150 nan 0.000 0.477 320 E N -0.809 119.398 120.200 0.012 0.000 2.381 320 E HA 0.464 4.814 4.350 -0.000 0.000 0.286 320 E C -1.672 174.953 176.600 0.042 0.000 0.960 320 E CA -0.626 55.792 56.400 0.031 0.000 0.793 320 E CB 1.492 31.210 29.700 0.030 0.000 1.225 320 E HN 0.520 nan 8.360 nan 0.000 0.420 321 R N 2.561 123.100 120.500 0.066 0.000 2.415 321 R HA 0.339 4.679 4.340 -0.000 0.000 0.292 321 R C -1.410 174.961 176.300 0.118 0.000 1.295 321 R CA -0.295 55.850 56.100 0.075 0.000 1.137 321 R CB 0.741 31.079 30.300 0.063 0.000 1.135 321 R HN 0.465 nan 8.270 nan 0.000 0.560 322 S N 1.441 117.207 115.700 0.110 0.000 2.654 322 S HA 0.729 5.199 4.470 -0.000 0.000 0.283 322 S C 0.480 175.144 174.600 0.108 0.000 1.180 322 S CA -0.160 58.123 58.200 0.138 0.000 1.021 322 S CB 1.704 64.948 63.200 0.073 0.000 1.018 322 S HN 1.136 nan 8.310 nan 0.000 0.532 323 G N 0.839 109.711 108.800 0.119 0.000 2.520 323 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G C -0.435 174.529 174.900 0.106 0.000 1.140 323 G CA -0.305 44.854 45.100 0.099 0.000 1.012 323 G HN 0.833 nan 8.290 nan 0.000 0.511 324 I N 1.333 121.971 120.570 0.114 0.000 2.347 324 I HA 0.221 4.391 4.170 -0.000 0.000 0.283 324 I C -2.035 174.163 176.117 0.135 0.000 1.058 324 I CA -2.288 59.084 61.300 0.121 0.000 1.202 324 I CB 1.471 39.532 38.000 0.100 0.000 1.386 324 I HN -0.055 nan 8.210 nan 0.000 0.475 325 P HA 0.068 nan 4.420 nan 0.000 0.263 325 P C -0.127 177.292 177.300 0.199 0.000 1.195 325 P CA 0.336 63.526 63.100 0.149 0.000 0.762 325 P CB 0.381 32.163 31.700 0.135 0.000 0.799 326 I N 4.001 124.664 120.570 0.155 0.000 2.517 326 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 326 I C 0.663 176.841 176.117 0.102 0.000 1.149 326 I CA -0.775 60.638 61.300 0.188 0.000 1.189 326 I CB -0.002 38.091 38.000 0.156 0.000 1.641 326 I HN 0.107 nan 8.210 nan 0.000 0.560 327 V N -0.004 119.966 119.914 0.092 0.000 3.134 327 V HA 0.437 4.557 4.120 -0.000 0.000 0.313 327 V C 1.294 177.403 176.094 0.024 0.000 1.069 327 V CA -0.054 62.262 62.300 0.027 0.000 1.048 327 V CB 1.285 33.099 31.823 -0.016 0.000 1.119 327 V HN 0.594 nan 8.190 nan 0.000 0.461 328 T N -2.137 112.433 114.554 0.027 0.000 3.054 328 T HA 0.138 4.488 4.350 -0.000 0.000 0.259 328 T C 0.905 175.726 174.700 0.201 0.000 1.092 328 T CA 0.852 63.013 62.100 0.102 0.000 1.121 328 T CB -0.005 68.926 68.868 0.104 0.000 0.912 328 T HN 0.889 nan 8.240 nan 0.000 0.489 329 S N 1.920 117.653 115.700 0.057 0.000 2.552 329 S HA 0.510 4.980 4.470 -0.000 0.000 0.314 329 S C -2.505 171.973 174.600 -0.204 0.000 1.099 329 S CA -1.658 56.545 58.200 0.005 0.000 1.070 329 S CB 1.656 64.876 63.200 0.033 0.000 0.998 329 S HN -0.047 nan 8.310 nan 0.000 0.474 330 P HA 0.103 nan 4.420 nan 0.000 0.242 330 P C -0.990 175.723 177.300 -0.978 0.000 1.198 330 P CA 0.906 63.412 63.100 -0.989 0.000 0.756 330 P CB -0.206 30.987 31.700 -0.845 0.000 0.911 331 Y N -1.929 118.230 120.300 -0.235 0.000 2.638 331 Y HA 0.547 5.097 4.550 -0.000 0.000 0.339 331 Y C 0.432 176.255 175.900 -0.128 0.000 1.084 331 Y CA -0.957 57.048 58.100 -0.159 0.000 1.068 331 Y CB 1.558 39.942 38.460 -0.126 0.000 1.294 331 Y HN -0.343 nan 8.280 nan 0.000 0.480 332 Q N 1.030 120.869 119.800 0.066 0.000 2.456 332 Q HA 0.716 5.056 4.340 -0.000 0.000 0.284 332 Q C -1.716 174.212 176.000 -0.120 0.000 1.061 332 Q CA -0.916 54.866 55.803 -0.034 0.000 0.799 332 Q CB 3.565 32.331 28.738 0.046 0.000 1.445 332 Q HN 0.521 nan 8.270 nan 0.000 0.411 333 I N 1.214 121.591 120.570 -0.321 0.000 2.498 333 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 333 I C -1.290 174.449 176.117 -0.631 0.000 1.032 333 I CA -0.685 60.389 61.300 -0.375 0.000 1.073 333 I CB 1.646 39.450 38.000 -0.326 0.000 1.251 333 I HN 0.582 nan 8.210 nan 0.000 0.426 334 H N 5.066 124.021 119.070 -0.192 0.000 2.782 334 H HA 0.366 4.922 4.556 -0.000 0.000 0.347 334 H C -0.823 174.401 175.328 -0.174 0.000 1.038 334 H CA -0.430 55.575 56.048 -0.070 0.000 1.255 334 H CB 1.523 31.387 29.762 0.170 0.000 1.623 334 H HN 0.419 nan 8.280 nan 0.000 0.525 335 F N 0.914 120.988 119.950 0.207 0.000 2.713 335 F HA 0.057 4.583 4.527 -0.000 0.000 0.294 335 F C 1.905 177.773 175.800 0.113 0.000 1.152 335 F CA -0.083 58.007 58.000 0.151 0.000 1.385 335 F CB -0.039 39.030 39.000 0.115 0.000 0.981 335 F HN 0.606 nan 8.300 nan 0.000 0.514 336 T N -2.973 111.704 114.554 0.206 0.000 2.962 336 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 336 T C 1.607 176.300 174.700 -0.011 0.000 1.088 336 T CA 1.079 63.220 62.100 0.068 0.000 1.127 336 T CB -0.158 68.695 68.868 -0.025 0.000 0.883 336 T HN 0.294 nan 8.240 nan 0.000 0.493 337 K N 0.888 121.310 120.400 0.037 0.000 2.374 337 K HA 0.165 4.485 4.320 -0.000 0.000 0.196 337 K C -0.022 176.673 176.600 0.157 0.000 1.023 337 K CA 0.060 56.392 56.287 0.074 0.000 1.103 337 K CB 0.548 33.141 32.500 0.155 0.000 0.848 337 K HN 0.255 nan 8.250 nan 0.000 0.528 338 T N 3.327 117.994 114.554 0.190 0.000 2.767 338 T HA 0.250 4.600 4.350 -0.000 0.000 0.284 338 T C -2.576 172.236 174.700 0.187 0.000 0.973 338 T CA -1.812 60.411 62.100 0.205 0.000 0.996 338 T CB 1.579 70.654 68.868 0.344 0.000 0.927 338 T HN -0.132 nan 8.240 nan 0.000 0.456 339 P HA 0.107 nan 4.420 nan 0.000 0.267 339 P C 0.387 177.857 177.300 0.284 0.000 1.201 339 P CA -0.293 62.940 63.100 0.222 0.000 0.775 339 P CB 0.519 32.353 31.700 0.224 0.000 0.854 340 K N 1.323 121.840 120.400 0.194 0.000 2.493 340 K HA 0.209 4.529 4.320 -0.000 0.000 0.207 340 K C -0.547 175.852 176.600 -0.334 0.000 1.033 340 K CA 0.036 56.286 56.287 -0.061 0.000 1.161 340 K CB -0.038 32.333 32.500 -0.214 0.000 0.873 340 K HN 0.511 nan 8.250 nan 0.000 0.491 341 Y N 0.056 120.518 120.300 0.270 0.000 2.504 341 Y HA 0.375 4.925 4.550 -0.000 0.000 0.344 341 Y C -0.157 175.963 175.900 0.367 0.000 1.023 341 Y CA -1.701 56.532 58.100 0.220 0.000 1.020 341 Y CB 1.446 39.999 38.460 0.156 0.000 1.282 341 Y HN -0.015 nan 8.280 nan 0.000 0.454 342 F N -0.766 119.345 119.950 0.269 0.000 2.654 342 F HA 0.936 5.463 4.527 -0.000 0.000 0.334 342 F C -1.529 174.364 175.800 0.156 0.000 1.078 342 F CA -1.676 56.452 58.000 0.213 0.000 0.986 342 F CB 1.347 40.236 39.000 -0.185 0.000 1.362 342 F HN 0.090 nan 8.300 nan 0.000 0.498 343 K N 1.529 122.065 120.400 0.228 0.000 2.394 343 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 343 K C -2.889 173.637 176.600 -0.124 0.000 0.967 343 K CA -2.142 54.050 56.287 -0.157 0.000 0.855 343 K CB 1.365 33.759 32.500 -0.176 0.000 1.101 343 K HN 0.235 nan 8.250 nan 0.000 0.433 344 P HA -0.010 nan 4.420 nan 0.000 0.257 344 P C 0.690 177.921 177.300 -0.116 0.000 1.189 344 P CA 0.997 64.070 63.100 -0.044 0.000 0.780 344 P CB 0.556 32.232 31.700 -0.040 0.000 0.772 345 G N 2.946 111.732 108.800 -0.025 0.000 2.345 345 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G C 0.191 175.052 174.900 -0.065 0.000 1.058 345 G CA -0.292 44.782 45.100 -0.043 0.000 0.632 345 G HN 0.447 nan 8.290 nan 0.000 0.508 346 M N 2.107 121.661 119.600 -0.077 0.000 2.255 346 M HA 0.402 4.882 4.480 -0.000 0.000 0.336 346 M C -2.285 173.952 176.300 -0.105 0.000 1.135 346 M CA -1.580 53.667 55.300 -0.089 0.000 1.145 346 M CB 0.485 33.037 32.600 -0.080 0.000 1.473 346 M HN -0.049 nan 8.290 nan 0.000 0.462 347 P HA -0.014 nan 4.420 nan 0.000 0.266 347 P C -1.300 175.897 177.300 -0.171 0.000 1.195 347 P CA 0.229 63.220 63.100 -0.181 0.000 0.768 347 P CB 0.196 31.753 31.700 -0.238 0.000 0.838 348 F N 3.177 123.036 119.950 -0.152 0.000 2.403 348 F HA 0.308 4.835 4.527 -0.000 0.000 0.355 348 F C -0.426 175.379 175.800 0.008 0.000 1.119 348 F CA -0.824 57.156 58.000 -0.033 0.000 1.007 348 F CB 0.669 39.660 39.000 -0.014 0.000 1.194 348 F HN 0.145 nan 8.300 nan 0.000 0.443 349 D N 5.661 125.797 120.400 -0.440 0.000 2.302 349 D HA 0.426 5.065 4.640 -0.000 0.000 0.248 349 D C -0.805 175.181 176.300 -0.525 0.000 1.094 349 D CA 0.164 53.967 54.000 -0.327 0.000 0.897 349 D CB 1.674 42.395 40.800 -0.131 0.000 1.200 349 D HN 0.339 nan 8.370 nan 0.000 0.429 350 L N 1.581 122.686 121.223 -0.197 0.000 2.346 350 L HA 0.389 4.729 4.340 -0.000 0.000 0.276 350 L C 0.160 177.056 176.870 0.044 0.000 1.006 350 L CA -0.398 54.419 54.840 -0.037 0.000 0.817 350 L CB 1.572 43.724 42.059 0.155 0.000 1.272 350 L HN 0.190 nan 8.230 nan 0.000 0.421 351 M N 3.417 123.084 119.600 0.112 0.000 3.307 351 M HA 0.265 4.745 4.480 -0.000 0.000 0.222 351 M C -0.638 175.758 176.300 0.159 0.000 1.243 351 M CA -0.462 54.910 55.300 0.120 0.000 1.270 351 M CB 0.435 33.113 32.600 0.131 0.000 1.187 351 M HN 0.186 nan 8.290 nan 0.000 0.598 352 V N 2.006 121.989 119.914 0.114 0.000 2.617 352 V HA -0.079 4.040 4.120 -0.000 0.000 0.304 352 V C -0.082 176.075 176.094 0.104 0.000 1.040 352 V CA 0.511 62.819 62.300 0.013 0.000 1.149 352 V CB 0.006 31.811 31.823 -0.029 0.000 0.914 352 V HN 0.498 nan 8.190 nan 0.000 0.487 353 F N 5.982 125.870 119.950 -0.103 0.000 2.453 353 F HA 0.518 5.045 4.527 -0.000 0.000 0.358 353 F C -0.092 175.719 175.800 0.018 0.000 1.129 353 F CA -0.737 57.259 58.000 -0.007 0.000 1.200 353 F CB 0.873 39.900 39.000 0.046 0.000 1.431 353 F HN 0.253 nan 8.300 nan 0.000 0.503 354 V N 4.317 124.071 119.914 -0.266 0.000 2.530 354 V HA 0.432 4.552 4.120 -0.000 0.000 0.282 354 V C 0.409 176.300 176.094 -0.338 0.000 1.048 354 V CA 0.252 62.411 62.300 -0.235 0.000 0.997 354 V CB 0.996 32.723 31.823 -0.160 0.000 0.987 354 V HN 0.787 nan 8.190 nan 0.000 0.477 355 T N 1.750 116.190 114.554 -0.190 0.000 2.804 355 T HA 0.559 4.909 4.350 -0.000 0.000 0.290 355 T C -0.529 174.163 174.700 -0.013 0.000 1.099 355 T CA -1.085 60.920 62.100 -0.159 0.000 1.011 355 T CB 1.755 70.498 68.868 -0.207 0.000 1.291 355 T HN 0.407 nan 8.240 nan 0.000 0.523 356 N N 1.011 119.694 118.700 -0.029 0.000 2.482 356 N HA 0.443 5.183 4.740 -0.000 0.000 0.279 356 N C -1.978 173.506 175.510 -0.042 0.000 1.182 356 N CA -2.281 50.725 53.050 -0.073 0.000 0.969 356 N CB 0.555 39.023 38.487 -0.031 0.000 1.201 356 N HN 0.334 nan 8.380 nan 0.000 0.523 357 P HA -0.164 nan 4.420 nan 0.000 0.217 357 P C 0.533 177.867 177.300 0.055 0.000 1.148 357 P CA 1.306 64.391 63.100 -0.024 0.000 0.828 357 P CB 0.209 31.884 31.700 -0.041 0.000 0.783 358 D N -2.086 118.359 120.400 0.075 0.000 2.213 358 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 358 D C 1.588 177.929 176.300 0.069 0.000 0.961 358 D CA 1.594 55.644 54.000 0.083 0.000 0.853 358 D CB -0.803 40.052 40.800 0.093 0.000 0.967 358 D HN 0.272 nan 8.370 nan 0.000 0.496 359 G N -0.146 108.689 108.800 0.057 0.000 2.370 359 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.174 359 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.174 359 G C 0.151 175.083 174.900 0.053 0.000 1.002 359 G CA 0.189 45.324 45.100 0.058 0.000 0.730 359 G HN 0.690 nan 8.290 nan 0.000 0.497 360 S N 1.109 116.837 115.700 0.046 0.000 2.565 360 S HA 0.663 5.133 4.470 -0.000 0.000 0.274 360 S C -2.246 172.361 174.600 0.011 0.000 1.309 360 S CA -1.232 56.995 58.200 0.045 0.000 1.043 360 S CB 1.830 65.061 63.200 0.053 0.000 0.939 360 S HN 0.098 nan 8.310 nan 0.000 0.504 361 P HA 0.242 nan 4.420 nan 0.000 0.267 361 P C -0.825 176.488 177.300 0.022 0.000 1.200 361 P CA -0.012 63.063 63.100 -0.041 0.000 0.772 361 P CB 0.273 31.993 31.700 0.034 0.000 0.855 362 A N 3.000 125.828 122.820 0.013 0.000 2.305 362 A HA 0.433 4.753 4.320 -0.000 0.000 0.322 362 A C -1.292 176.371 177.584 0.131 0.000 1.187 362 A CA -0.408 51.701 52.037 0.120 0.000 0.825 362 A CB 0.103 19.223 19.000 0.200 0.000 1.164 362 A HN 0.529 nan 8.150 nan 0.000 0.498 363 Y N 2.484 122.812 120.300 0.047 0.000 2.328 363 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 363 Y C 0.584 176.492 175.900 0.013 0.000 1.008 363 Y CA -0.101 58.012 58.100 0.022 0.000 1.129 363 Y CB 0.587 39.062 38.460 0.026 0.000 1.185 363 Y HN 0.871 nan 8.280 nan 0.000 0.476 364 R N 3.299 123.484 120.500 -0.525 0.000 2.532 364 R HA -0.082 4.258 4.340 -0.000 0.000 0.317 364 R C -1.886 174.293 176.300 -0.203 0.000 1.026 364 R CA 0.488 56.352 56.100 -0.393 0.000 0.846 364 R CB -1.608 28.464 30.300 -0.380 0.000 2.375 364 R HN 0.399 nan 8.270 nan 0.000 0.497 365 V N 3.666 123.450 119.914 -0.217 0.000 2.445 365 V HA 0.246 4.366 4.120 -0.000 0.000 0.283 365 V C -2.011 173.947 176.094 -0.227 0.000 1.014 365 V CA -1.850 60.289 62.300 -0.268 0.000 0.852 365 V CB 2.139 33.733 31.823 -0.380 0.000 1.021 365 V HN 0.314 nan 8.190 nan 0.000 0.435 366 P HA 0.117 nan 4.420 nan 0.000 0.261 366 P C -0.500 176.715 177.300 -0.141 0.000 1.183 366 P CA 0.475 63.489 63.100 -0.143 0.000 0.761 366 P CB 0.566 32.195 31.700 -0.118 0.000 0.785 367 V N 0.796 120.647 119.914 -0.105 0.000 2.823 367 V HA 0.990 5.110 4.120 -0.000 0.000 0.312 367 V C -0.645 175.423 176.094 -0.045 0.000 1.072 367 V CA -1.226 61.025 62.300 -0.082 0.000 0.937 367 V CB 1.913 33.690 31.823 -0.078 0.000 1.013 367 V HN 0.632 nan 8.190 nan 0.000 0.430 368 A N 2.464 125.269 122.820 -0.024 0.000 2.602 368 A HA 0.906 5.226 4.320 -0.000 0.000 0.290 368 A C -1.151 176.443 177.584 0.017 0.000 1.114 368 A CA -0.595 51.438 52.037 -0.007 0.000 0.683 368 A CB 1.795 20.785 19.000 -0.018 0.000 1.281 368 A HN 1.480 nan 8.150 nan 0.000 0.416 369 V N 1.744 121.670 119.914 0.020 0.000 2.630 369 V HA 0.243 4.363 4.120 -0.000 0.000 0.305 369 V C 1.112 177.212 176.094 0.010 0.000 1.046 369 V CA -0.550 61.767 62.300 0.028 0.000 0.934 369 V CB 1.603 33.445 31.823 0.031 0.000 1.003 369 V HN 0.960 nan 8.190 nan 0.000 0.451 370 Q N 2.484 122.290 119.800 0.009 0.000 2.197 370 Q HA -0.167 4.173 4.340 -0.000 0.000 0.207 370 Q C 2.006 178.002 176.000 -0.007 0.000 0.984 370 Q CA 1.860 57.663 55.803 -0.001 0.000 0.869 370 Q CB -0.353 28.383 28.738 -0.004 0.000 0.906 370 Q HN 1.028 nan 8.270 nan 0.000 0.426 371 G N 0.820 109.615 108.800 -0.008 0.000 2.637 371 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 371 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 371 G C 0.427 175.322 174.900 -0.008 0.000 1.289 371 G CA 0.458 45.551 45.100 -0.010 0.000 0.816 371 G HN 0.321 nan 8.290 nan 0.000 0.580 372 E N 0.944 121.139 120.200 -0.008 0.000 2.191 372 E HA 0.382 4.732 4.350 -0.000 0.000 0.274 372 E C -0.657 175.937 176.600 -0.011 0.000 0.948 372 E CA -0.910 55.483 56.400 -0.010 0.000 0.802 372 E CB 1.300 30.992 29.700 -0.013 0.000 1.137 372 E HN 0.391 nan 8.360 nan 0.000 0.397 373 D N 1.725 122.117 120.400 -0.012 0.000 2.466 373 D HA 0.317 4.957 4.640 -0.000 0.000 0.262 373 D C 0.117 176.407 176.300 -0.017 0.000 1.177 373 D CA 0.140 54.131 54.000 -0.014 0.000 1.035 373 D CB 0.332 41.123 40.800 -0.015 0.000 1.105 373 D HN 0.543 nan 8.370 nan 0.000 0.551 374 T N -1.926 112.616 114.554 -0.019 0.000 11.675 374 T HA -0.188 4.162 4.350 -0.000 0.000 0.407 374 T C 0.731 175.417 174.700 -0.023 0.000 1.535 374 T CA 1.471 63.558 62.100 -0.021 0.000 2.503 374 T CB -1.498 67.359 68.868 -0.019 0.000 2.785 374 T HN 0.461 nan 8.240 nan 0.000 0.895 375 V N 3.847 123.749 119.914 -0.020 0.000 2.324 375 V HA 0.228 4.348 4.120 -0.000 0.000 0.244 375 V C 0.536 176.618 176.094 -0.021 0.000 1.144 375 V CA 0.823 63.111 62.300 -0.020 0.000 1.158 375 V CB -0.265 31.549 31.823 -0.016 0.000 1.254 375 V HN 0.436 nan 8.190 nan 0.000 0.492 376 Q N 2.455 122.238 119.800 -0.028 0.000 2.496 376 Q HA 0.826 5.166 4.340 -0.000 0.000 0.286 376 Q C -0.552 175.423 176.000 -0.042 0.000 1.103 376 Q CA -0.797 54.985 55.803 -0.036 0.000 0.813 376 Q CB 2.654 31.366 28.738 -0.043 0.000 1.444 376 Q HN 0.690 nan 8.270 nan 0.000 0.443 377 S N 0.200 115.869 115.700 -0.052 0.000 2.652 377 S HA 0.374 4.844 4.470 -0.000 0.000 0.273 377 S C -1.193 173.358 174.600 -0.083 0.000 1.172 377 S CA -0.798 57.366 58.200 -0.060 0.000 1.009 377 S CB 0.399 63.571 63.200 -0.047 0.000 1.094 377 S HN 0.367 nan 8.310 nan 0.000 0.471 378 L N 3.134 124.298 121.223 -0.099 0.000 2.499 378 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 378 L C 1.091 177.868 176.870 -0.155 0.000 1.195 378 L CA 0.838 55.595 54.840 -0.138 0.000 0.882 378 L CB -0.112 41.855 42.059 -0.153 0.000 1.133 378 L HN 0.770 nan 8.230 nan 0.000 0.483 379 T N 3.633 118.083 114.554 -0.174 0.000 2.928 379 T HA 0.076 4.426 4.350 -0.000 0.000 0.305 379 T C 0.586 175.161 174.700 -0.208 0.000 1.035 379 T CA -0.259 61.747 62.100 -0.157 0.000 1.145 379 T CB 0.305 69.085 68.868 -0.147 0.000 0.963 379 T HN 0.538 nan 8.240 nan 0.000 0.545 380 Q N 1.435 121.162 119.800 -0.122 0.000 2.319 380 Q HA 0.316 4.655 4.340 -0.000 0.000 0.173 380 Q C 2.083 178.082 176.000 -0.001 0.000 1.112 380 Q CA -0.246 55.499 55.803 -0.095 0.000 1.144 380 Q CB -0.035 28.691 28.738 -0.020 0.000 1.765 380 Q HN 0.813 nan 8.270 nan 0.000 0.594 381 G N 0.761 109.654 108.800 0.156 0.000 2.396 381 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.214 381 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.214 381 G C 0.854 175.864 174.900 0.182 0.000 1.166 381 G CA 0.929 46.216 45.100 0.311 0.000 0.793 381 G HN 0.763 nan 8.290 nan 0.000 0.533 382 D N 0.240 120.715 120.400 0.126 0.000 2.350 382 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 382 D C 1.619 178.009 176.300 0.149 0.000 0.968 382 D CA 0.923 55.004 54.000 0.134 0.000 0.894 382 D CB -0.678 40.196 40.800 0.123 0.000 0.909 382 D HN 0.634 nan 8.370 nan 0.000 0.520 383 G N -0.705 108.147 108.800 0.086 0.000 2.164 383 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 383 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 383 G C -0.302 174.606 174.900 0.014 0.000 1.031 383 G CA 0.023 45.109 45.100 -0.024 0.000 0.730 383 G HN 0.395 nan 8.290 nan 0.000 0.501 384 V N -0.066 119.902 119.914 0.089 0.000 2.531 384 V HA 0.872 4.991 4.120 -0.000 0.000 0.301 384 V C 0.542 176.658 176.094 0.036 0.000 1.034 384 V CA -0.280 62.099 62.300 0.132 0.000 0.865 384 V CB 1.598 33.529 31.823 0.179 0.000 0.995 384 V HN 1.214 nan 8.190 nan 0.000 0.424 385 A N 3.873 126.706 122.820 0.022 0.000 2.269 385 A HA 0.950 5.269 4.320 -0.000 0.000 0.327 385 A C -0.443 177.141 177.584 0.000 0.000 1.112 385 A CA -0.685 51.344 52.037 -0.014 0.000 0.865 385 A CB 1.405 20.383 19.000 -0.036 0.000 1.227 385 A HN 0.688 nan 8.150 nan 0.000 0.498 386 K N 0.989 121.379 120.400 -0.017 0.000 2.572 386 K HA 0.615 4.935 4.320 -0.000 0.000 0.244 386 K C -1.610 174.981 176.600 -0.015 0.000 0.965 386 K CA 0.052 56.329 56.287 -0.017 0.000 0.943 386 K CB 0.062 32.543 32.500 -0.032 0.000 1.154 386 K HN 0.600 nan 8.250 nan 0.000 0.447 387 L N 1.910 123.132 121.223 -0.000 0.000 2.313 387 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 387 L C -0.492 176.372 176.870 -0.010 0.000 1.010 387 L CA -1.074 53.770 54.840 0.006 0.000 0.814 387 L CB 2.201 44.287 42.059 0.044 0.000 1.304 387 L HN 0.838 nan 8.230 nan 0.000 0.441 388 S N 1.050 116.747 115.700 -0.005 0.000 2.446 388 S HA 0.437 4.907 4.470 -0.000 0.000 0.230 388 S C -0.780 173.819 174.600 -0.001 0.000 1.051 388 S CA -0.863 57.327 58.200 -0.017 0.000 1.113 388 S CB 0.224 63.400 63.200 -0.040 0.000 1.184 388 S HN 0.550 nan 8.310 nan 0.000 0.435 389 I N 0.111 120.705 120.570 0.041 0.000 2.934 389 I HA 0.653 4.823 4.170 -0.000 0.000 0.315 389 I C -0.018 176.097 176.117 -0.004 0.000 0.997 389 I CA -0.867 60.445 61.300 0.020 0.000 1.184 389 I CB 0.836 38.856 38.000 0.033 0.000 1.400 389 I HN 0.409 nan 8.210 nan 0.000 0.549 390 N N 1.179 119.841 118.700 -0.062 0.000 2.489 390 N HA 0.492 5.232 4.740 -0.000 0.000 0.284 390 N C -1.017 174.385 175.510 -0.180 0.000 1.158 390 N CA -0.168 52.812 53.050 -0.117 0.000 0.965 390 N CB 1.864 40.260 38.487 -0.152 0.000 1.195 390 N HN 0.722 nan 8.380 nan 0.000 0.506 391 T N 0.812 115.247 114.554 -0.198 0.000 2.887 391 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 391 T C -0.571 173.980 174.700 -0.249 0.000 1.021 391 T CA -0.595 61.378 62.100 -0.212 0.000 1.000 391 T CB 1.055 69.866 68.868 -0.095 0.000 1.034 391 T HN 0.318 nan 8.240 nan 0.000 0.467 392 H N 1.817 120.853 119.070 -0.056 0.000 2.481 392 H HA 0.207 4.763 4.556 -0.000 0.000 0.339 392 H C -1.783 173.565 175.328 0.033 0.000 1.131 392 H CA -2.081 53.959 56.048 -0.013 0.000 1.301 392 H CB 1.419 31.168 29.762 -0.023 0.000 1.476 392 H HN 0.318 nan 8.280 nan 0.000 0.529 393 P HA -0.122 nan 4.420 nan 0.000 0.231 393 P C 0.401 177.787 177.300 0.143 0.000 1.158 393 P CA 0.625 63.799 63.100 0.123 0.000 0.763 393 P CB 0.092 31.858 31.700 0.110 0.000 0.805 394 S N -0.354 115.438 115.700 0.154 0.000 2.576 394 S HA 0.042 4.512 4.470 -0.000 0.000 0.272 394 S C 0.913 175.610 174.600 0.161 0.000 1.352 394 S CA -0.312 57.961 58.200 0.122 0.000 1.021 394 S CB 0.453 63.695 63.200 0.071 0.000 0.887 394 S HN 0.021 nan 8.310 nan 0.000 0.542 395 Q N -0.158 119.719 119.800 0.127 0.000 2.222 395 Q HA 0.248 4.588 4.340 -0.000 0.000 0.206 395 Q C -0.331 175.755 176.000 0.145 0.000 0.877 395 Q CA 0.022 55.905 55.803 0.135 0.000 0.958 395 Q CB -0.159 28.633 28.738 0.090 0.000 1.075 395 Q HN 0.624 nan 8.270 nan 0.000 0.483 396 K N 2.389 122.872 120.400 0.138 0.000 2.322 396 K HA 0.201 4.520 4.320 -0.000 0.000 0.283 396 K C -2.464 174.227 176.600 0.151 0.000 1.042 396 K CA -1.925 54.420 56.287 0.096 0.000 0.958 396 K CB 0.458 32.974 32.500 0.026 0.000 0.984 396 K HN -0.142 nan 8.250 nan 0.000 0.473 397 P HA -0.100 nan 4.420 nan 0.000 0.263 397 P C -0.776 176.499 177.300 -0.041 0.000 1.175 397 P CA 0.166 63.340 63.100 0.122 0.000 0.761 397 P CB 0.388 32.114 31.700 0.044 0.000 0.794 398 L N 2.593 123.701 121.223 -0.191 0.000 2.292 398 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 398 L C 0.232 176.904 176.870 -0.329 0.000 1.065 398 L CA -0.140 54.402 54.840 -0.496 0.000 0.806 398 L CB 0.901 42.253 42.059 -1.179 0.000 1.175 398 L HN 0.324 nan 8.230 nan 0.000 0.431 399 S N 4.840 120.380 115.700 -0.267 0.000 2.552 399 S HA 0.692 5.162 4.470 -0.000 0.000 0.314 399 S C -0.763 173.715 174.600 -0.204 0.000 1.099 399 S CA -0.582 57.494 58.200 -0.206 0.000 1.070 399 S CB 0.794 63.913 63.200 -0.135 0.000 0.998 399 S HN 0.402 nan 8.310 nan 0.000 0.474 400 I N 3.612 124.046 120.570 -0.227 0.000 2.509 400 I HA 0.419 4.589 4.170 -0.000 0.000 0.293 400 I C -0.112 175.918 176.117 -0.145 0.000 1.020 400 I CA -0.226 60.962 61.300 -0.187 0.000 1.088 400 I CB 2.356 40.226 38.000 -0.216 0.000 1.267 400 I HN 0.466 nan 8.210 nan 0.000 0.430 401 T N 4.953 119.482 114.554 -0.042 0.000 2.991 401 T HA 0.452 4.802 4.350 -0.000 0.000 0.347 401 T C -0.421 174.336 174.700 0.095 0.000 1.122 401 T CA -0.424 61.696 62.100 0.032 0.000 1.062 401 T CB 0.753 69.628 68.868 0.012 0.000 1.043 401 T HN 0.191 nan 8.240 nan 0.000 0.491 402 V N 4.911 124.960 119.914 0.225 0.000 2.439 402 V HA 0.527 4.647 4.120 -0.000 0.000 0.282 402 V C 0.503 176.658 176.094 0.102 0.000 1.039 402 V CA -0.621 61.797 62.300 0.197 0.000 0.913 402 V CB 1.260 33.280 31.823 0.328 0.000 0.983 402 V HN 0.689 nan 8.190 nan 0.000 0.460 403 R N 1.796 122.319 120.500 0.038 0.000 3.006 403 R HA 0.685 5.025 4.340 -0.000 0.000 0.235 403 R C -0.452 175.822 176.300 -0.043 0.000 1.362 403 R CA -0.759 55.340 56.100 -0.003 0.000 1.067 403 R CB 1.617 31.916 30.300 -0.002 0.000 1.396 403 R HN 0.620 nan 8.270 nan 0.000 0.504 404 T N 0.782 115.295 114.554 -0.067 0.000 2.809 404 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 404 T C -0.205 174.433 174.700 -0.102 0.000 1.015 404 T CA -0.731 61.297 62.100 -0.120 0.000 0.954 404 T CB 0.521 69.272 68.868 -0.195 0.000 0.950 404 T HN 0.237 nan 8.240 nan 0.000 0.450 405 K N 3.743 124.085 120.400 -0.097 0.000 2.745 405 K HA 0.158 4.478 4.320 -0.000 0.000 0.223 405 K C 0.447 176.994 176.600 -0.089 0.000 1.057 405 K CA -0.316 55.926 56.287 -0.076 0.000 1.217 405 K CB 0.018 32.481 32.500 -0.060 0.000 0.993 405 K HN 0.411 nan 8.250 nan 0.000 0.478 406 K N 2.166 122.493 120.400 -0.121 0.000 2.419 406 K HA 0.009 4.329 4.320 -0.000 0.000 0.282 406 K C 0.605 177.170 176.600 -0.057 0.000 1.056 406 K CA 0.417 56.633 56.287 -0.118 0.000 1.035 406 K CB 0.340 32.733 32.500 -0.178 0.000 0.921 406 K HN 0.327 nan 8.250 nan 0.000 0.472 407 Q N 1.557 121.330 119.800 -0.045 0.000 2.631 407 Q HA -0.014 4.326 4.340 -0.000 0.000 0.210 407 Q C 0.075 176.067 176.000 -0.014 0.000 1.094 407 Q CA 0.055 55.841 55.803 -0.028 0.000 1.055 407 Q CB 0.348 29.071 28.738 -0.025 0.000 1.261 407 Q HN 0.489 nan 8.270 nan 0.000 0.615 408 E N -1.139 119.053 120.200 -0.014 0.000 2.883 408 E HA -0.239 4.110 4.350 -0.000 0.000 0.271 408 E C -1.114 175.476 176.600 -0.017 0.000 1.049 408 E CA 0.114 56.507 56.400 -0.012 0.000 0.817 408 E CB -1.065 28.635 29.700 0.000 0.000 1.407 408 E HN 0.206 nan 8.360 nan 0.000 0.434 409 L N -0.002 121.209 121.223 -0.020 0.000 2.588 409 L HA 0.266 4.606 4.340 -0.000 0.000 0.263 409 L C -0.065 176.790 176.870 -0.026 0.000 0.935 409 L CA -0.094 54.730 54.840 -0.026 0.000 0.891 409 L CB 1.866 43.927 42.059 0.004 0.000 1.318 409 L HN 0.113 nan 8.230 nan 0.000 0.409 410 S N 2.506 118.185 115.700 -0.034 0.000 2.589 410 S HA 0.230 4.700 4.470 -0.000 0.000 0.265 410 S C 0.777 175.370 174.600 -0.012 0.000 1.342 410 S CA -0.294 57.891 58.200 -0.026 0.000 1.005 410 S CB 0.769 63.950 63.200 -0.033 0.000 0.909 410 S HN 0.682 nan 8.310 nan 0.000 0.555 411 E N 1.190 121.383 120.200 -0.012 0.000 2.204 411 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 411 E C 2.086 178.689 176.600 0.006 0.000 0.990 411 E CA 1.308 57.705 56.400 -0.006 0.000 0.821 411 E CB -0.722 28.972 29.700 -0.009 0.000 0.750 411 E HN 0.842 nan 8.360 nan 0.000 0.477 412 A N 0.956 123.779 122.820 0.005 0.000 2.209 412 A HA -0.100 4.220 4.320 -0.000 0.000 0.212 412 A C 1.373 178.992 177.584 0.060 0.000 1.158 412 A CA 0.634 52.681 52.037 0.018 0.000 0.742 412 A CB -0.072 18.922 19.000 -0.009 0.000 0.790 412 A HN 0.115 nan 8.150 nan 0.000 0.472 413 E N -0.196 120.042 120.200 0.064 0.000 2.624 413 E HA 0.091 4.441 4.350 -0.000 0.000 0.210 413 E C -0.333 176.317 176.600 0.083 0.000 0.997 413 E CA -0.264 56.206 56.400 0.117 0.000 0.999 413 E CB 0.343 30.096 29.700 0.089 0.000 1.040 413 E HN 0.507 nan 8.360 nan 0.000 0.469 414 Q N 0.354 120.187 119.800 0.055 0.000 2.195 414 Q HA 0.623 4.962 4.340 -0.000 0.000 0.250 414 Q C -0.267 175.756 176.000 0.038 0.000 0.988 414 Q CA -0.583 55.245 55.803 0.043 0.000 0.911 414 Q CB 1.576 30.320 28.738 0.010 0.000 1.258 414 Q HN 0.121 nan 8.270 nan 0.000 0.475 415 A N 0.321 123.156 122.820 0.025 0.000 2.325 415 A HA 0.712 5.032 4.320 -0.000 0.000 0.333 415 A C -0.445 177.134 177.584 -0.009 0.000 1.155 415 A CA -0.359 51.683 52.037 0.007 0.000 0.814 415 A CB 1.576 20.579 19.000 0.005 0.000 1.206 415 A HN 0.548 nan 8.150 nan 0.000 0.482 416 T N 0.054 114.604 114.554 -0.006 0.000 2.916 416 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 416 T C -1.195 173.520 174.700 0.026 0.000 1.119 416 T CA -0.561 61.546 62.100 0.013 0.000 1.008 416 T CB 1.197 70.079 68.868 0.024 0.000 1.129 416 T HN 0.968 nan 8.240 nan 0.000 0.480 417 R N 1.810 122.367 120.500 0.094 0.000 2.566 417 R HA 0.652 4.992 4.340 -0.000 0.000 0.271 417 R C -1.569 174.925 176.300 0.324 0.000 1.071 417 R CA -0.326 55.882 56.100 0.180 0.000 0.915 417 R CB 1.815 32.195 30.300 0.133 0.000 1.228 417 R HN 0.676 nan 8.270 nan 0.000 0.449 418 T N 5.381 120.043 114.554 0.180 0.000 2.807 418 T HA 0.567 4.917 4.350 -0.000 0.000 0.279 418 T C -0.032 174.641 174.700 -0.045 0.000 0.993 418 T CA -0.695 61.428 62.100 0.039 0.000 0.970 418 T CB 0.977 69.845 68.868 0.001 0.000 0.950 418 T HN 0.664 nan 8.240 nan 0.000 0.441 419 M N 1.753 121.194 119.600 -0.265 0.000 2.758 419 M HA 0.736 5.216 4.480 -0.000 0.000 0.281 419 M C -1.074 175.097 176.300 -0.215 0.000 1.082 419 M CA -1.032 54.114 55.300 -0.256 0.000 0.866 419 M CB 1.795 34.110 32.600 -0.474 0.000 1.662 419 M HN 0.465 nan 8.290 nan 0.000 0.515 420 Q N 0.344 120.035 119.800 -0.182 0.000 2.313 420 Q HA 0.689 5.029 4.340 -0.000 0.000 0.260 420 Q C -2.401 173.509 176.000 -0.151 0.000 0.972 420 Q CA -0.557 55.150 55.803 -0.160 0.000 0.886 420 Q CB 2.534 31.209 28.738 -0.105 0.000 1.373 420 Q HN 0.979 nan 8.270 nan 0.000 0.416 421 A N 4.137 126.867 122.820 -0.149 0.000 2.340 421 A HA 0.817 5.137 4.320 -0.000 0.000 0.331 421 A C -1.236 176.444 177.584 0.160 0.000 1.140 421 A CA -0.639 51.366 52.037 -0.053 0.000 0.801 421 A CB 1.054 20.016 19.000 -0.064 0.000 1.234 421 A HN 0.707 nan 8.150 nan 0.000 0.469 422 L N 1.936 123.154 121.223 -0.008 0.000 2.325 422 L HA 0.435 4.774 4.340 -0.000 0.000 0.278 422 L C -2.297 174.430 176.870 -0.237 0.000 1.023 422 L CA -2.222 52.628 54.840 0.017 0.000 0.811 422 L CB 1.943 43.990 42.059 -0.021 0.000 1.249 422 L HN 0.428 nan 8.230 nan 0.000 0.431 423 P HA -0.094 nan 4.420 nan 0.000 0.268 423 P C -1.285 175.900 177.300 -0.191 0.000 1.208 423 P CA 0.070 62.725 63.100 -0.740 0.000 0.777 423 P CB 0.230 31.767 31.700 -0.271 0.000 0.875 424 Y N 2.254 122.431 120.300 -0.205 0.000 2.477 424 Y HA 0.263 4.813 4.550 -0.000 0.000 0.349 424 Y C 0.654 176.634 175.900 0.133 0.000 0.977 424 Y CA -0.279 57.844 58.100 0.038 0.000 1.214 424 Y CB 0.265 38.821 38.460 0.160 0.000 1.124 424 Y HN 0.231 nan 8.280 nan 0.000 0.521 425 S N 4.597 120.079 115.700 -0.362 0.000 2.537 425 S HA 0.168 4.638 4.470 -0.000 0.000 0.286 425 S C -0.122 174.229 174.600 -0.414 0.000 1.299 425 S CA -0.104 57.926 58.200 -0.285 0.000 1.067 425 S CB 0.015 63.078 63.200 -0.229 0.000 0.864 425 S HN 0.780 nan 8.310 nan 0.000 0.494 426 T N 4.775 119.216 114.554 -0.188 0.000 2.824 426 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 426 T C -0.339 174.290 174.700 -0.118 0.000 0.995 426 T CA -0.614 61.378 62.100 -0.180 0.000 1.009 426 T CB 1.348 70.082 68.868 -0.225 0.000 0.955 426 T HN 0.488 nan 8.240 nan 0.000 0.452 427 V N 3.507 123.353 119.914 -0.114 0.000 2.400 427 V HA 0.360 4.480 4.120 -0.000 0.000 0.263 427 V C 1.483 177.522 176.094 -0.091 0.000 1.026 427 V CA 1.031 63.272 62.300 -0.099 0.000 1.077 427 V CB -0.475 31.242 31.823 -0.177 0.000 1.054 427 V HN 1.287 nan 8.190 nan 0.000 0.477 428 G N 4.895 113.658 108.800 -0.061 0.000 2.141 428 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G C 0.331 175.208 174.900 -0.038 0.000 0.982 428 G CA -0.028 45.043 45.100 -0.048 0.000 0.662 428 G HN 0.849 nan 8.290 nan 0.000 0.527 429 N N -1.135 117.540 118.700 -0.042 0.000 2.721 429 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 429 N C 1.429 176.927 175.510 -0.019 0.000 1.072 429 N CA 1.799 54.836 53.050 -0.021 0.000 0.710 429 N CB -1.577 36.913 38.487 0.005 0.000 0.993 429 N HN 1.445 nan 8.380 nan 0.000 0.547 430 S N -1.229 114.440 115.700 -0.051 0.000 2.607 430 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 430 S C 0.741 175.323 174.600 -0.031 0.000 0.969 430 S CA 0.208 58.387 58.200 -0.035 0.000 0.927 430 S CB 0.136 63.302 63.200 -0.056 0.000 0.772 430 S HN 0.339 nan 8.310 nan 0.000 0.533 431 N N 1.674 120.324 118.700 -0.082 0.000 2.735 431 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 431 N C -1.629 173.773 175.510 -0.179 0.000 1.083 431 N CA 0.813 53.816 53.050 -0.078 0.000 0.703 431 N CB -2.173 36.416 38.487 0.170 0.000 1.005 431 N HN 0.519 nan 8.380 nan 0.000 0.550 432 N N 0.854 119.376 118.700 -0.296 0.000 2.462 432 N HA 0.312 5.052 4.740 -0.000 0.000 0.242 432 N C -0.141 175.268 175.510 -0.168 0.000 1.010 432 N CA -0.006 52.993 53.050 -0.085 0.000 0.939 432 N CB 0.316 38.841 38.487 0.063 0.000 1.127 432 N HN 0.233 nan 8.380 nan 0.000 0.509 433 Y N 0.745 121.188 120.300 0.238 0.000 2.730 433 Y HA 0.706 5.256 4.550 -0.000 0.000 0.325 433 Y C -0.211 175.822 175.900 0.221 0.000 1.132 433 Y CA -1.283 56.914 58.100 0.161 0.000 1.206 433 Y CB 1.173 39.692 38.460 0.099 0.000 1.390 433 Y HN 0.203 nan 8.280 nan 0.000 0.555 434 L N 0.795 122.191 121.223 0.288 0.000 2.676 434 L HA 0.375 4.715 4.340 -0.000 0.000 0.262 434 L C -1.945 175.006 176.870 0.134 0.000 0.932 434 L CA -0.267 54.731 54.840 0.263 0.000 0.932 434 L CB 1.300 43.590 42.059 0.385 0.000 1.355 434 L HN 0.786 nan 8.230 nan 0.000 0.421 435 H N 4.346 123.433 119.070 0.028 0.000 2.529 435 H HA 0.795 5.351 4.556 -0.000 0.000 0.348 435 H C -1.309 173.953 175.328 -0.110 0.000 1.152 435 H CA -0.551 55.475 56.048 -0.036 0.000 1.202 435 H CB 1.677 31.427 29.762 -0.020 0.000 1.562 435 H HN 0.639 nan 8.280 nan 0.000 0.515 436 L N 4.648 125.479 121.223 -0.653 0.000 2.408 436 L HA 0.284 4.624 4.340 -0.000 0.000 0.257 436 L C -0.295 176.287 176.870 -0.479 0.000 1.053 436 L CA -0.706 53.824 54.840 -0.517 0.000 0.922 436 L CB 0.943 42.723 42.059 -0.465 0.000 1.261 436 L HN 0.613 nan 8.230 nan 0.000 0.458 437 S N 1.517 117.099 115.700 -0.197 0.000 2.523 437 S HA 0.678 5.148 4.470 -0.000 0.000 0.275 437 S C -0.252 174.261 174.600 -0.144 0.000 1.281 437 S CA -0.630 57.531 58.200 -0.064 0.000 1.050 437 S CB 1.881 65.134 63.200 0.088 0.000 0.937 437 S HN 0.181 nan 8.310 nan 0.000 0.492 438 V N 3.774 123.607 119.914 -0.135 0.000 2.577 438 V HA 0.292 4.412 4.120 -0.000 0.000 0.303 438 V C -0.567 175.464 176.094 -0.106 0.000 1.042 438 V CA -0.954 61.262 62.300 -0.139 0.000 0.872 438 V CB 1.538 33.258 31.823 -0.172 0.000 0.998 438 V HN 0.859 nan 8.190 nan 0.000 0.423 439 L N 4.765 125.934 121.223 -0.090 0.000 2.698 439 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 439 L C 0.856 177.678 176.870 -0.081 0.000 1.154 439 L CA 0.496 55.292 54.840 -0.074 0.000 0.964 439 L CB -0.605 41.416 42.059 -0.063 0.000 1.272 439 L HN 0.535 nan 8.230 nan 0.000 0.483 440 R N 3.090 123.544 120.500 -0.077 0.000 2.413 440 R HA 0.288 4.628 4.340 -0.000 0.000 0.333 440 R C -0.429 175.831 176.300 -0.067 0.000 1.074 440 R CA 0.171 56.223 56.100 -0.080 0.000 0.982 440 R CB -0.421 29.838 30.300 -0.067 0.000 0.981 440 R HN 0.762 nan 8.270 nan 0.000 0.452 441 T N 0.275 114.785 114.554 -0.073 0.000 2.916 441 T HA 0.331 4.680 4.350 -0.000 0.000 0.305 441 T C -0.561 174.102 174.700 -0.062 0.000 1.119 441 T CA -1.116 60.950 62.100 -0.057 0.000 1.008 441 T CB 1.189 70.026 68.868 -0.051 0.000 1.129 441 T HN 0.518 nan 8.240 nan 0.000 0.480 442 E N 2.158 122.333 120.200 -0.043 0.000 2.168 442 E HA 0.119 4.469 4.350 -0.000 0.000 0.254 442 E C -0.054 176.515 176.600 -0.052 0.000 1.228 442 E CA -0.076 56.299 56.400 -0.042 0.000 0.956 442 E CB -0.088 29.602 29.700 -0.015 0.000 1.031 442 E HN 0.423 nan 8.360 nan 0.000 0.441 443 L N 3.867 125.048 121.223 -0.070 0.000 2.456 443 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 443 L C 0.690 177.519 176.870 -0.068 0.000 1.189 443 L CA 0.408 55.204 54.840 -0.073 0.000 0.846 443 L CB 0.257 42.271 42.059 -0.075 0.000 1.111 443 L HN 0.367 nan 8.230 nan 0.000 0.475 444 R N 2.860 123.318 120.500 -0.070 0.000 2.628 444 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 444 R C -2.610 173.652 176.300 -0.064 0.000 0.980 444 R CA -2.135 53.930 56.100 -0.059 0.000 0.891 444 R CB 1.475 31.750 30.300 -0.043 0.000 1.188 444 R HN 0.284 nan 8.270 nan 0.000 0.450 445 P HA -0.017 nan 4.420 nan 0.000 0.258 445 P C 0.587 177.871 177.300 -0.026 0.000 1.187 445 P CA 1.095 64.176 63.100 -0.032 0.000 0.767 445 P CB 0.467 32.160 31.700 -0.012 0.000 0.770 446 G N 2.343 111.124 108.800 -0.032 0.000 2.336 446 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.194 446 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.194 446 G C 0.254 175.131 174.900 -0.039 0.000 0.999 446 G CA -0.384 44.701 45.100 -0.025 0.000 0.669 446 G HN 0.491 nan 8.290 nan 0.000 0.482 447 E N -0.154 120.010 120.200 -0.060 0.000 3.601 447 E HA 0.598 4.948 4.350 -0.000 0.000 0.273 447 E C -0.118 176.431 176.600 -0.086 0.000 1.368 447 E CA 0.164 56.525 56.400 -0.065 0.000 1.286 447 E CB 0.767 30.427 29.700 -0.068 0.000 1.383 447 E HN 0.100 nan 8.360 nan 0.000 0.746 448 T N 0.016 114.519 114.554 -0.086 0.000 2.909 448 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 448 T C -1.835 172.803 174.700 -0.104 0.000 1.073 448 T CA -0.720 61.323 62.100 -0.096 0.000 0.999 448 T CB 0.983 69.812 68.868 -0.064 0.000 1.098 448 T HN 0.203 nan 8.240 nan 0.000 0.477 449 L N 3.990 125.139 121.223 -0.123 0.000 2.362 449 L HA 0.725 5.065 4.340 -0.000 0.000 0.271 449 L C -1.109 175.707 176.870 -0.090 0.000 1.002 449 L CA -0.493 54.281 54.840 -0.110 0.000 0.818 449 L CB 1.957 43.940 42.059 -0.127 0.000 1.298 449 L HN 0.590 nan 8.230 nan 0.000 0.420 450 N N 3.489 122.142 118.700 -0.079 0.000 2.501 450 N HA 0.380 5.120 4.740 -0.000 0.000 0.245 450 N C -1.164 174.287 175.510 -0.098 0.000 0.974 450 N CA -0.265 52.743 53.050 -0.070 0.000 0.941 450 N CB 1.725 40.180 38.487 -0.053 0.000 1.122 450 N HN 0.333 nan 8.380 nan 0.000 0.507 451 V N 2.869 122.714 119.914 -0.114 0.000 2.383 451 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 451 V C 0.068 175.987 176.094 -0.292 0.000 1.036 451 V CA -0.780 61.379 62.300 -0.235 0.000 0.889 451 V CB 0.692 32.346 31.823 -0.283 0.000 0.985 451 V HN 0.479 nan 8.190 nan 0.000 0.459 452 N N 3.811 122.301 118.700 -0.351 0.000 2.473 452 N HA 0.542 5.281 4.740 -0.000 0.000 0.291 452 N C -0.975 174.235 175.510 -0.500 0.000 1.083 452 N CA -0.334 52.566 53.050 -0.250 0.000 0.951 452 N CB 1.282 39.699 38.487 -0.116 0.000 1.164 452 N HN 0.466 nan 8.380 nan 0.000 0.480 453 F N 1.496 121.355 119.950 -0.150 0.000 2.443 453 F HA 0.303 4.830 4.527 -0.000 0.000 0.369 453 F C -0.135 175.566 175.800 -0.166 0.000 1.090 453 F CA -0.872 56.968 58.000 -0.265 0.000 1.129 453 F CB 0.754 39.411 39.000 -0.571 0.000 1.367 453 F HN 0.177 nan 8.300 nan 0.000 0.465 454 L N 4.731 125.979 121.223 0.042 0.000 2.265 454 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 454 L C -0.992 175.946 176.870 0.113 0.000 1.058 454 L CA -0.505 54.384 54.840 0.081 0.000 0.809 454 L CB 0.691 42.802 42.059 0.088 0.000 1.179 454 L HN 0.494 nan 8.230 nan 0.000 0.429 455 L N 5.895 127.184 121.223 0.109 0.000 2.331 455 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 455 L C -0.666 176.269 176.870 0.109 0.000 1.022 455 L CA -0.272 54.637 54.840 0.114 0.000 0.812 455 L CB 1.371 43.472 42.059 0.070 0.000 1.257 455 L HN 0.770 nan 8.230 nan 0.000 0.435 456 R N 6.461 127.050 120.500 0.149 0.000 2.539 456 R HA 0.728 5.067 4.340 -0.000 0.000 0.295 456 R C -1.687 174.713 176.300 0.167 0.000 1.138 456 R CA -0.422 55.779 56.100 0.168 0.000 0.936 456 R CB 0.849 31.295 30.300 0.244 0.000 1.182 456 R HN 0.910 nan 8.270 nan 0.000 0.459 457 M N 0.788 120.452 119.600 0.107 0.000 2.853 457 M HA 0.315 4.795 4.480 -0.000 0.000 0.273 457 M C -1.662 174.679 176.300 0.068 0.000 1.128 457 M CA -1.155 54.201 55.300 0.092 0.000 0.814 457 M CB 1.371 34.015 32.600 0.072 0.000 1.667 457 M HN 0.356 nan 8.290 nan 0.000 0.519 458 D N 1.175 121.618 120.400 0.072 0.000 2.361 458 D HA 0.144 4.784 4.640 -0.000 0.000 0.239 458 D C 0.582 176.900 176.300 0.029 0.000 1.200 458 D CA -0.288 53.743 54.000 0.052 0.000 0.915 458 D CB 0.552 41.387 40.800 0.058 0.000 1.170 458 D HN 0.833 nan 8.370 nan 0.000 0.444 459 R N -0.275 120.226 120.500 0.002 0.000 2.319 459 R HA 0.283 4.623 4.340 -0.000 0.000 0.204 459 R C 1.322 177.577 176.300 -0.075 0.000 0.954 459 R CA 0.289 56.373 56.100 -0.027 0.000 1.066 459 R CB -0.394 29.890 30.300 -0.026 0.000 0.991 459 R HN 0.362 nan 8.270 nan 0.000 0.486 460 A N 1.157 123.921 122.820 -0.093 0.000 2.067 460 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 460 A C 0.809 178.017 177.584 -0.626 0.000 1.158 460 A CA 0.823 52.685 52.037 -0.292 0.000 0.661 460 A CB -0.281 18.600 19.000 -0.198 0.000 0.801 460 A HN 0.543 nan 8.150 nan 0.000 0.452 461 H N -1.972 117.083 119.070 -0.024 0.000 3.109 461 H HA 0.066 4.622 4.556 -0.000 0.000 0.248 461 H C 0.846 176.139 175.328 -0.059 0.000 1.177 461 H CA 0.685 56.711 56.048 -0.037 0.000 0.977 461 H CB 0.049 29.794 29.762 -0.029 0.000 2.165 461 H HN 0.768 nan 8.280 nan 0.000 0.693 462 E N 0.938 121.142 120.200 0.007 0.000 2.285 462 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 462 E C 1.924 178.482 176.600 -0.070 0.000 0.997 462 E CA 1.014 57.390 56.400 -0.040 0.000 0.845 462 E CB 0.118 29.797 29.700 -0.034 0.000 0.782 462 E HN 0.210 nan 8.360 nan 0.000 0.491 463 A N 1.137 123.923 122.820 -0.056 0.000 2.119 463 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 463 A C 1.851 179.392 177.584 -0.071 0.000 1.152 463 A CA 0.836 52.837 52.037 -0.060 0.000 0.708 463 A CB -0.228 18.743 19.000 -0.048 0.000 0.805 463 A HN 0.165 nan 8.150 nan 0.000 0.460 464 K N -0.238 120.123 120.400 -0.065 0.000 2.296 464 K HA 0.086 4.406 4.320 -0.000 0.000 0.200 464 K C -0.194 176.296 176.600 -0.184 0.000 1.048 464 K CA 0.249 56.488 56.287 -0.081 0.000 0.966 464 K CB 0.028 32.512 32.500 -0.027 0.000 0.754 464 K HN 0.313 nan 8.250 nan 0.000 0.466 465 I N 2.517 122.948 120.570 -0.231 0.000 2.389 465 I HA 0.014 4.184 4.170 -0.000 0.000 0.295 465 I C 0.806 176.686 176.117 -0.395 0.000 1.117 465 I CA 0.552 61.612 61.300 -0.401 0.000 1.317 465 I CB 0.414 38.131 38.000 -0.472 0.000 1.431 465 I HN 0.059 nan 8.210 nan 0.000 0.521 466 R N 5.559 125.777 120.500 -0.470 0.000 2.404 466 R HA 0.197 4.537 4.340 -0.000 0.000 0.237 466 R C -0.680 175.544 176.300 -0.127 0.000 0.907 466 R CA 0.076 56.039 56.100 -0.229 0.000 1.063 466 R CB 0.258 30.540 30.300 -0.030 0.000 1.134 466 R HN 0.659 nan 8.270 nan 0.000 0.529 467 Y N -3.322 116.799 120.300 -0.298 0.000 2.620 467 Y HA 0.515 5.065 4.550 -0.000 0.000 0.331 467 Y C -1.284 174.360 175.900 -0.426 0.000 1.173 467 Y CA -2.092 55.849 58.100 -0.266 0.000 1.076 467 Y CB 0.167 38.565 38.460 -0.103 0.000 1.336 467 Y HN -0.217 nan 8.280 nan 0.000 0.459 468 Y N -0.066 120.268 120.300 0.058 0.000 2.602 468 Y HA 0.777 5.327 4.550 -0.000 0.000 0.330 468 Y C -0.115 175.819 175.900 0.057 0.000 1.114 468 Y CA -1.172 56.922 58.100 -0.010 0.000 1.182 468 Y CB 2.432 40.790 38.460 -0.170 0.000 1.305 468 Y HN 0.664 nan 8.280 nan 0.000 0.502 469 T N 2.032 116.694 114.554 0.179 0.000 2.934 469 T HA 0.286 4.636 4.350 -0.000 0.000 0.328 469 T C -1.428 173.451 174.700 0.299 0.000 1.068 469 T CA -0.668 61.510 62.100 0.129 0.000 1.018 469 T CB -0.629 68.215 68.868 -0.041 0.000 1.009 469 T HN 0.420 nan 8.240 nan 0.000 0.471 470 Y N 2.384 122.844 120.300 0.266 0.000 2.334 470 Y HA 0.862 5.412 4.550 -0.000 0.000 0.328 470 Y C -1.260 174.807 175.900 0.278 0.000 1.130 470 Y CA -1.708 56.577 58.100 0.308 0.000 1.163 470 Y CB 0.592 39.262 38.460 0.350 0.000 1.207 470 Y HN 0.275 nan 8.280 nan 0.000 0.471 471 L N 4.883 126.319 121.223 0.356 0.000 2.381 471 L HA 0.452 4.792 4.340 -0.000 0.000 0.268 471 L C -0.916 176.151 176.870 0.329 0.000 0.997 471 L CA -0.812 54.188 54.840 0.267 0.000 0.818 471 L CB 2.062 44.276 42.059 0.257 0.000 1.310 471 L HN 0.612 nan 8.230 nan 0.000 0.416 472 I N 3.670 124.414 120.570 0.290 0.000 2.307 472 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 472 I C -0.336 175.922 176.117 0.235 0.000 1.021 472 I CA -0.440 61.049 61.300 0.315 0.000 1.224 472 I CB 1.304 39.468 38.000 0.272 0.000 1.376 472 I HN 0.482 nan 8.210 nan 0.000 0.470 473 M N 6.178 125.944 119.600 0.277 0.000 2.144 473 M HA 0.283 4.763 4.480 -0.000 0.000 0.356 473 M C -0.063 176.385 176.300 0.247 0.000 1.217 473 M CA 0.092 55.526 55.300 0.224 0.000 1.087 473 M CB 0.476 33.204 32.600 0.214 0.000 1.609 473 M HN 0.504 nan 8.290 nan 0.000 0.467 474 N N 3.095 121.898 118.700 0.171 0.000 2.533 474 N HA 0.157 4.897 4.740 -0.000 0.000 0.289 474 N C -0.818 174.783 175.510 0.152 0.000 1.103 474 N CA -0.223 52.924 53.050 0.162 0.000 0.877 474 N CB 1.020 39.531 38.487 0.040 0.000 1.419 474 N HN 0.622 nan 8.380 nan 0.000 0.517 475 K N 2.319 122.839 120.400 0.199 0.000 3.035 475 K HA -0.198 4.122 4.320 -0.000 0.000 0.262 475 K C 0.401 177.114 176.600 0.189 0.000 1.024 475 K CA 0.804 57.225 56.287 0.223 0.000 0.748 475 K CB -1.521 31.125 32.500 0.243 0.000 1.247 475 K HN 1.004 nan 8.250 nan 0.000 0.482 476 G N 0.417 109.308 108.800 0.150 0.000 2.248 476 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 476 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 476 G C -0.121 174.811 174.900 0.053 0.000 1.082 476 G CA 0.647 45.804 45.100 0.096 0.000 0.863 476 G HN 0.744 nan 8.290 nan 0.000 0.495 477 R N -1.744 118.796 120.500 0.068 0.000 2.756 477 R HA 0.709 5.049 4.340 -0.000 0.000 0.273 477 R C -1.268 175.065 176.300 0.055 0.000 1.030 477 R CA -1.333 54.789 56.100 0.036 0.000 0.887 477 R CB 0.681 30.989 30.300 0.015 0.000 1.274 477 R HN 0.230 nan 8.270 nan 0.000 0.461 478 L N 2.788 124.033 121.223 0.036 0.000 2.259 478 L HA 0.275 4.615 4.340 -0.000 0.000 0.288 478 L C 0.903 177.785 176.870 0.020 0.000 1.051 478 L CA -0.614 54.258 54.840 0.053 0.000 0.824 478 L CB 1.475 43.570 42.059 0.060 0.000 1.206 478 L HN 0.617 nan 8.230 nan 0.000 0.429 479 L N 3.428 124.655 121.223 0.007 0.000 2.068 479 L HA 0.129 4.469 4.340 -0.000 0.000 0.204 479 L C 0.644 177.494 176.870 -0.033 0.000 1.076 479 L CA 1.698 56.498 54.840 -0.065 0.000 0.753 479 L CB -0.063 41.875 42.059 -0.202 0.000 0.910 479 L HN 0.579 nan 8.230 nan 0.000 0.439 480 K N -1.114 119.303 120.400 0.029 0.000 2.562 480 K HA 0.633 4.953 4.320 -0.000 0.000 0.267 480 K C -2.050 174.594 176.600 0.073 0.000 0.938 480 K CA -0.271 56.053 56.287 0.061 0.000 0.840 480 K CB 1.802 34.364 32.500 0.103 0.000 1.390 480 K HN 0.016 nan 8.250 nan 0.000 0.428 481 A N 1.715 124.531 122.820 -0.006 0.000 2.437 481 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 481 A C -0.828 176.589 177.584 -0.278 0.000 1.038 481 A CA -0.083 51.868 52.037 -0.143 0.000 0.708 481 A CB 1.740 20.730 19.000 -0.017 0.000 1.251 481 A HN 0.847 nan 8.150 nan 0.000 0.409 482 G N 1.078 109.432 108.800 -0.743 0.000 2.911 482 G HA2 0.715 4.675 3.960 -0.000 0.000 0.299 482 G HA3 0.715 4.675 3.960 -0.000 0.000 0.299 482 G C -1.230 173.411 174.900 -0.433 0.000 1.283 482 G CA -0.651 44.154 45.100 -0.492 0.000 0.805 482 G HN 0.625 nan 8.290 nan 0.000 0.548 483 R N -0.687 119.797 120.500 -0.026 0.000 2.919 483 R HA 0.673 5.013 4.340 -0.000 0.000 0.260 483 R C -1.322 175.153 176.300 0.292 0.000 1.067 483 R CA -0.900 55.270 56.100 0.117 0.000 1.003 483 R CB 1.653 31.962 30.300 0.015 0.000 1.192 483 R HN 0.505 nan 8.270 nan 0.000 0.488 484 Q N 1.140 121.068 119.800 0.212 0.000 2.533 484 Q HA 0.238 4.578 4.340 -0.000 0.000 0.251 484 Q C -0.788 175.276 176.000 0.107 0.000 0.966 484 Q CA -0.584 55.277 55.803 0.096 0.000 0.714 484 Q CB 1.041 29.662 28.738 -0.194 0.000 1.284 484 Q HN 0.515 nan 8.270 nan 0.000 0.478 485 V N 1.447 121.416 119.914 0.092 0.000 3.061 485 V HA 0.436 4.555 4.120 -0.000 0.000 0.306 485 V C -0.121 176.010 176.094 0.062 0.000 1.118 485 V CA -0.204 62.148 62.300 0.087 0.000 1.231 485 V CB 0.819 32.680 31.823 0.063 0.000 0.956 485 V HN 0.848 nan 8.190 nan 0.000 0.499 486 R N 1.883 122.403 120.500 0.032 0.000 2.522 486 R HA 0.467 4.807 4.340 -0.000 0.000 0.273 486 R C -1.376 174.913 176.300 -0.018 0.000 1.133 486 R CA -0.525 55.580 56.100 0.008 0.000 0.969 486 R CB 1.860 32.145 30.300 -0.026 0.000 1.235 486 R HN 0.915 nan 8.270 nan 0.000 0.433 487 E N 4.232 124.431 120.200 -0.002 0.000 2.231 487 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 487 E C -2.466 174.123 176.600 -0.019 0.000 0.999 487 E CA -2.101 54.293 56.400 -0.009 0.000 0.827 487 E CB 1.217 30.919 29.700 0.003 0.000 1.101 487 E HN 0.344 nan 8.360 nan 0.000 0.393 488 P HA 0.027 nan 4.420 nan 0.000 0.258 488 P C 0.504 177.793 177.300 -0.018 0.000 1.172 488 P CA 1.068 64.149 63.100 -0.033 0.000 0.762 488 P CB 0.406 32.086 31.700 -0.033 0.000 0.764 489 G N 2.555 111.347 108.800 -0.014 0.000 2.336 489 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.194 489 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.194 489 G C -0.062 174.842 174.900 0.006 0.000 0.999 489 G CA -0.538 44.560 45.100 -0.004 0.000 0.669 489 G HN 0.537 nan 8.290 nan 0.000 0.482 490 Q N 1.072 120.879 119.800 0.012 0.000 2.361 490 Q HA 0.409 4.749 4.340 -0.000 0.000 0.250 490 Q C -0.038 175.988 176.000 0.043 0.000 1.023 490 Q CA -0.414 55.407 55.803 0.029 0.000 0.915 490 Q CB 1.067 29.828 28.738 0.039 0.000 1.238 490 Q HN 0.199 nan 8.270 nan 0.000 0.451 491 D N 1.290 121.715 120.400 0.041 0.000 2.333 491 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 491 D C -0.354 175.985 176.300 0.065 0.000 0.984 491 D CA 0.610 54.639 54.000 0.048 0.000 0.873 491 D CB 0.477 41.297 40.800 0.034 0.000 0.935 491 D HN 0.216 nan 8.370 nan 0.000 0.521 492 L N 0.785 122.047 121.223 0.064 0.000 2.516 492 L HA 0.354 4.694 4.340 -0.000 0.000 0.267 492 L C -0.987 175.932 176.870 0.082 0.000 0.957 492 L CA -1.037 53.845 54.840 0.071 0.000 0.860 492 L CB 1.824 43.909 42.059 0.045 0.000 1.265 492 L HN -0.149 nan 8.230 nan 0.000 0.403 493 V N 2.585 122.572 119.914 0.122 0.000 3.019 493 V HA 0.901 5.021 4.120 -0.000 0.000 0.317 493 V C -0.881 175.317 176.094 0.173 0.000 1.094 493 V CA -0.776 61.598 62.300 0.124 0.000 1.000 493 V CB 2.011 33.899 31.823 0.109 0.000 1.060 493 V HN 0.458 nan 8.190 nan 0.000 0.443 494 V N 2.674 122.665 119.914 0.128 0.000 2.604 494 V HA 0.556 4.675 4.120 -0.000 0.000 0.305 494 V C -0.671 175.495 176.094 0.120 0.000 1.043 494 V CA -0.468 61.902 62.300 0.116 0.000 0.888 494 V CB 1.560 33.411 31.823 0.047 0.000 0.995 494 V HN 0.885 nan 8.190 nan 0.000 0.429 495 L N 7.698 129.004 121.223 0.139 0.000 2.295 495 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 495 L C -2.510 174.352 176.870 -0.013 0.000 1.018 495 L CA -1.917 52.966 54.840 0.072 0.000 0.841 495 L CB 1.564 43.711 42.059 0.147 0.000 1.218 495 L HN 0.381 nan 8.230 nan 0.000 0.424 496 P HA 0.102 nan 4.420 nan 0.000 0.264 496 P C -0.912 176.360 177.300 -0.046 0.000 1.537 496 P CA -0.131 62.952 63.100 -0.028 0.000 1.189 496 P CB 0.056 31.751 31.700 -0.008 0.000 1.687 497 L N 2.802 123.979 121.223 -0.077 0.000 2.292 497 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 497 L C -0.002 176.794 176.870 -0.123 0.000 1.065 497 L CA 0.208 54.988 54.840 -0.100 0.000 0.806 497 L CB 0.836 42.810 42.059 -0.142 0.000 1.175 497 L HN 0.026 nan 8.230 nan 0.000 0.431 498 S N 6.597 122.248 115.700 -0.082 0.000 2.404 498 S HA 0.478 4.948 4.470 -0.000 0.000 0.309 498 S C -0.102 174.407 174.600 -0.151 0.000 1.076 498 S CA -0.564 57.588 58.200 -0.080 0.000 1.095 498 S CB 0.190 63.390 63.200 0.000 0.000 0.972 498 S HN 0.385 nan 8.310 nan 0.000 0.484 499 I N 4.679 125.063 120.570 -0.310 0.000 2.452 499 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 499 I C 1.446 177.516 176.117 -0.078 0.000 1.079 499 I CA 0.191 61.186 61.300 -0.508 0.000 1.387 499 I CB -0.162 37.532 38.000 -0.510 0.000 1.404 499 I HN 0.625 nan 8.210 nan 0.000 0.522 500 T N 1.634 116.336 114.554 0.247 0.000 2.850 500 T HA 0.282 4.632 4.350 -0.000 0.000 0.269 500 T C 1.137 175.936 174.700 0.165 0.000 1.075 500 T CA 0.272 62.487 62.100 0.192 0.000 0.987 500 T CB 0.789 69.760 68.868 0.172 0.000 1.889 500 T HN 0.587 nan 8.240 nan 0.000 0.584 501 T N -2.330 112.279 114.554 0.092 0.000 3.086 501 T HA 0.190 4.539 4.350 -0.000 0.000 0.250 501 T C 0.638 175.358 174.700 0.033 0.000 1.074 501 T CA 0.043 62.174 62.100 0.052 0.000 0.988 501 T CB -0.299 68.593 68.868 0.039 0.000 0.988 501 T HN 0.418 nan 8.240 nan 0.000 0.530 502 D N 1.155 121.552 120.400 -0.005 0.000 2.162 502 D HA 0.133 4.773 4.640 -0.000 0.000 0.205 502 D C 1.398 177.621 176.300 -0.128 0.000 0.964 502 D CA 0.413 54.349 54.000 -0.107 0.000 0.847 502 D CB -0.497 40.153 40.800 -0.250 0.000 0.988 502 D HN 0.424 nan 8.370 nan 0.000 0.480 503 F N 1.423 121.312 119.950 -0.102 0.000 2.236 503 F HA -0.081 4.446 4.527 -0.000 0.000 0.302 503 F C 1.218 176.998 175.800 -0.033 0.000 1.073 503 F CA 0.286 58.222 58.000 -0.108 0.000 1.336 503 F CB -0.662 38.137 39.000 -0.334 0.000 1.040 503 F HN -0.116 nan 8.300 nan 0.000 0.507 504 I N 1.957 122.542 120.570 0.026 0.000 2.752 504 I HA -0.102 4.068 4.170 -0.000 0.000 0.289 504 I C -1.388 174.571 176.117 -0.263 0.000 1.197 504 I CA -1.166 59.995 61.300 -0.231 0.000 1.432 504 I CB 0.326 38.052 38.000 -0.458 0.000 1.359 504 I HN -0.115 nan 8.210 nan 0.000 0.571 505 P HA -0.023 nan 4.420 nan 0.000 0.211 505 P C 0.023 177.315 177.300 -0.014 0.000 1.188 505 P CA 0.608 63.552 63.100 -0.261 0.000 0.904 505 P CB 0.196 31.828 31.700 -0.115 0.000 0.765 506 S N -0.700 115.073 115.700 0.123 0.000 2.739 506 S HA 0.756 5.226 4.470 -0.000 0.000 0.306 506 S C -0.738 174.050 174.600 0.314 0.000 1.115 506 S CA -0.723 57.555 58.200 0.129 0.000 0.985 506 S CB 1.021 64.326 63.200 0.175 0.000 1.133 506 S HN 0.161 nan 8.310 nan 0.000 0.541 507 F N -1.857 118.123 119.950 0.049 0.000 2.641 507 F HA 0.748 5.275 4.527 -0.000 0.000 0.308 507 F C -0.897 174.983 175.800 0.133 0.000 1.105 507 F CA -1.191 56.904 58.000 0.159 0.000 0.964 507 F CB 1.259 40.441 39.000 0.303 0.000 1.294 507 F HN 0.612 nan 8.300 nan 0.000 0.442 508 R N 2.581 123.224 120.500 0.238 0.000 2.668 508 R HA 0.713 5.053 4.340 -0.000 0.000 0.279 508 R C -1.653 174.786 176.300 0.233 0.000 0.976 508 R CA -1.218 54.967 56.100 0.141 0.000 0.978 508 R CB 2.116 32.534 30.300 0.196 0.000 1.133 508 R HN 0.752 nan 8.270 nan 0.000 0.484 509 L N 3.770 125.074 121.223 0.136 0.000 2.372 509 L HA 0.412 4.752 4.340 -0.000 0.000 0.274 509 L C -1.133 175.811 176.870 0.124 0.000 0.988 509 L CA -0.700 54.257 54.840 0.195 0.000 0.833 509 L CB 1.759 43.919 42.059 0.168 0.000 1.236 509 L HN 0.497 nan 8.230 nan 0.000 0.410 510 V N 2.588 122.606 119.914 0.175 0.000 2.384 510 V HA 0.954 5.073 4.120 -0.000 0.000 0.287 510 V C -0.060 176.173 176.094 0.232 0.000 1.020 510 V CA -0.509 61.851 62.300 0.100 0.000 0.850 510 V CB 1.097 32.921 31.823 0.002 0.000 0.987 510 V HN 0.889 nan 8.190 nan 0.000 0.436 511 A N 5.337 128.290 122.820 0.222 0.000 2.356 511 A HA 0.955 5.275 4.320 -0.000 0.000 0.310 511 A C -1.013 176.791 177.584 0.367 0.000 1.075 511 A CA -0.666 51.604 52.037 0.389 0.000 0.746 511 A CB 1.472 20.805 19.000 0.555 0.000 1.221 511 A HN 1.828 nan 8.150 nan 0.000 0.443 512 Y N 0.303 120.763 120.300 0.268 0.000 2.581 512 Y HA 0.815 5.365 4.550 -0.000 0.000 0.345 512 Y C -1.279 174.770 175.900 0.248 0.000 1.036 512 Y CA -1.765 56.426 58.100 0.152 0.000 1.042 512 Y CB 1.148 39.636 38.460 0.047 0.000 1.289 512 Y HN 0.915 nan 8.280 nan 0.000 0.471 513 Y N -0.624 119.689 120.300 0.021 0.000 2.524 513 Y HA 0.765 5.315 4.550 -0.000 0.000 0.347 513 Y C -0.988 174.838 175.900 -0.124 0.000 1.005 513 Y CA -1.227 56.741 58.100 -0.219 0.000 1.025 513 Y CB 1.780 40.103 38.460 -0.229 0.000 1.275 513 Y HN 0.914 nan 8.280 nan 0.000 0.460 514 T N 5.015 119.507 114.554 -0.103 0.000 2.887 514 T HA 0.834 5.184 4.350 -0.000 0.000 0.288 514 T C -1.110 173.530 174.700 -0.100 0.000 1.021 514 T CA -0.519 61.509 62.100 -0.119 0.000 1.000 514 T CB 0.792 69.533 68.868 -0.212 0.000 1.034 514 T HN 1.090 nan 8.240 nan 0.000 0.467 515 L N 0.953 122.130 121.223 -0.077 0.000 2.933 515 L HA 0.766 5.106 4.340 -0.000 0.000 0.271 515 L C -1.917 174.898 176.870 -0.092 0.000 1.071 515 L CA -1.401 53.395 54.840 -0.073 0.000 0.938 515 L CB 1.531 43.566 42.059 -0.040 0.000 1.534 515 L HN 0.458 nan 8.230 nan 0.000 0.396 516 I N 1.773 122.288 120.570 -0.092 0.000 2.412 516 I HA 0.690 4.860 4.170 -0.000 0.000 0.279 516 I C 0.682 176.644 176.117 -0.257 0.000 1.063 516 I CA 0.266 61.493 61.300 -0.121 0.000 1.193 516 I CB 0.837 38.800 38.000 -0.061 0.000 1.370 516 I HN 0.762 nan 8.210 nan 0.000 0.479 517 G N 2.784 111.367 108.800 -0.362 0.000 2.642 517 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 517 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 517 G C 0.465 175.132 174.900 -0.387 0.000 1.345 517 G CA -0.033 44.649 45.100 -0.696 0.000 1.043 517 G HN 0.812 nan 8.290 nan 0.000 0.528 518 A N -0.676 121.963 122.820 -0.303 0.000 5.093 518 A HA -0.191 4.129 4.320 -0.000 0.000 0.329 518 A C 1.293 178.850 177.584 -0.045 0.000 1.836 518 A CA 2.291 54.269 52.037 -0.099 0.000 0.707 518 A CB -1.712 17.236 19.000 -0.087 0.000 1.389 518 A HN 2.286 nan 8.150 nan 0.000 0.383 519 S N -0.158 115.515 115.700 -0.046 0.000 2.279 519 S HA 0.542 5.012 4.470 -0.000 0.000 0.176 519 S C 0.782 175.364 174.600 -0.030 0.000 1.554 519 S CA 1.100 59.289 58.200 -0.019 0.000 1.242 519 S CB -0.177 63.019 63.200 -0.007 0.000 1.163 519 S HN 2.709 nan 8.310 nan 0.000 0.449 520 G N 2.800 111.579 108.800 -0.036 0.000 2.168 520 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G C -0.041 174.828 174.900 -0.052 0.000 0.997 520 G CA 0.755 45.834 45.100 -0.037 0.000 0.708 520 G HN 0.740 nan 8.290 nan 0.000 0.520 521 Q N -0.443 119.313 119.800 -0.073 0.000 2.274 521 Q HA 0.554 4.894 4.340 -0.000 0.000 0.256 521 Q C 0.418 176.357 176.000 -0.103 0.000 0.927 521 Q CA -1.010 54.744 55.803 -0.081 0.000 0.939 521 Q CB 0.563 29.251 28.738 -0.083 0.000 1.201 521 Q HN 0.253 nan 8.270 nan 0.000 0.426 522 R N 3.232 123.676 120.500 -0.094 0.000 2.248 522 R HA 0.122 4.462 4.340 -0.000 0.000 0.328 522 R C -1.039 175.170 176.300 -0.151 0.000 1.067 522 R CA 0.138 56.174 56.100 -0.107 0.000 0.924 522 R CB 0.588 30.840 30.300 -0.080 0.000 1.013 522 R HN 0.679 nan 8.270 nan 0.000 0.454 523 E N 3.063 123.158 120.200 -0.174 0.000 2.195 523 E HA 0.454 4.804 4.350 -0.000 0.000 0.271 523 E C -1.328 175.099 176.600 -0.288 0.000 0.923 523 E CA -0.990 55.266 56.400 -0.241 0.000 0.790 523 E CB 1.501 31.085 29.700 -0.193 0.000 1.155 523 E HN 0.363 nan 8.360 nan 0.000 0.402 524 V N 4.282 123.921 119.914 -0.458 0.000 2.531 524 V HA 0.380 4.500 4.120 -0.000 0.000 0.301 524 V C -0.756 175.101 176.094 -0.395 0.000 1.034 524 V CA -0.762 61.267 62.300 -0.450 0.000 0.865 524 V CB 1.741 33.230 31.823 -0.557 0.000 0.995 524 V HN 0.495 nan 8.190 nan 0.000 0.424 525 V N 3.954 123.621 119.914 -0.411 0.000 2.531 525 V HA 0.923 5.043 4.120 -0.000 0.000 0.301 525 V C 0.199 176.147 176.094 -0.242 0.000 1.034 525 V CA -0.206 61.903 62.300 -0.319 0.000 0.865 525 V CB 1.571 33.077 31.823 -0.527 0.000 0.995 525 V HN 1.043 nan 8.190 nan 0.000 0.424 526 A N 3.498 126.310 122.820 -0.013 0.000 2.437 526 A HA 1.007 5.326 4.320 -0.000 0.000 0.288 526 A C -1.390 176.127 177.584 -0.113 0.000 1.201 526 A CA -0.488 51.523 52.037 -0.043 0.000 0.795 526 A CB 2.080 20.934 19.000 -0.244 0.000 1.359 526 A HN 0.758 nan 8.150 nan 0.000 0.435 527 D N -1.343 118.980 120.400 -0.130 0.000 2.745 527 D HA 0.494 5.134 4.640 -0.000 0.000 0.221 527 D C -0.934 175.289 176.300 -0.129 0.000 1.237 527 D CA 0.375 54.290 54.000 -0.143 0.000 0.781 527 D CB 1.703 42.428 40.800 -0.126 0.000 1.575 527 D HN 0.828 nan 8.370 nan 0.000 0.482 528 S N 0.856 116.485 115.700 -0.119 0.000 2.600 528 S HA 0.879 5.348 4.470 -0.000 0.000 0.300 528 S C -1.136 173.420 174.600 -0.073 0.000 1.087 528 S CA -0.790 57.363 58.200 -0.078 0.000 0.965 528 S CB 2.015 65.181 63.200 -0.057 0.000 1.089 528 S HN 0.790 nan 8.310 nan 0.000 0.496 529 V N 1.791 121.673 119.914 -0.052 0.000 2.752 529 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 529 V C -2.175 173.898 176.094 -0.034 0.000 1.133 529 V CA -0.609 61.650 62.300 -0.067 0.000 0.919 529 V CB 1.591 33.312 31.823 -0.172 0.000 1.026 529 V HN 1.072 nan 8.190 nan 0.000 0.429 530 W N 7.274 128.467 121.300 -0.178 0.000 2.338 530 W HA 0.745 5.405 4.660 -0.000 0.000 0.307 530 W C -1.227 175.115 176.519 -0.295 0.000 1.167 530 W CA -0.399 56.817 57.345 -0.215 0.000 1.208 530 W CB 1.506 30.889 29.460 -0.128 0.000 1.228 530 W HN 0.515 nan 8.180 nan 0.000 0.499 531 V N 6.598 125.809 119.914 -1.170 0.000 2.588 531 V HA 0.193 4.313 4.120 -0.000 0.000 0.304 531 V C -0.739 174.563 176.094 -1.320 0.000 1.042 531 V CA -0.847 60.727 62.300 -1.210 0.000 0.877 531 V CB 1.672 32.868 31.823 -1.044 0.000 0.996 531 V HN 0.521 nan 8.190 nan 0.000 0.425 532 D N 2.880 122.637 120.400 -1.072 0.000 2.175 532 D HA 0.622 5.262 4.640 -0.000 0.000 0.248 532 D C -0.717 175.407 176.300 -0.293 0.000 1.047 532 D CA -0.144 53.458 54.000 -0.663 0.000 0.883 532 D CB 1.879 42.332 40.800 -0.579 0.000 1.180 532 D HN 0.306 nan 8.370 nan 0.000 0.438 533 V N 2.714 122.545 119.914 -0.138 0.000 2.769 533 V HA 0.299 4.419 4.120 -0.000 0.000 0.312 533 V C -0.022 176.010 176.094 -0.104 0.000 1.058 533 V CA -1.144 61.112 62.300 -0.074 0.000 0.952 533 V CB 1.662 33.488 31.823 0.005 0.000 1.019 533 V HN 0.533 nan 8.190 nan 0.000 0.445 534 K N 2.767 123.114 120.400 -0.090 0.000 2.367 534 K HA -0.039 4.281 4.320 -0.000 0.000 0.275 534 K C -0.331 176.183 176.600 -0.144 0.000 1.125 534 K CA 0.370 56.606 56.287 -0.086 0.000 1.133 534 K CB -0.830 31.634 32.500 -0.059 0.000 0.875 534 K HN 0.552 nan 8.250 nan 0.000 0.467 535 D N 2.731 123.031 120.400 -0.167 0.000 2.412 535 D HA 0.052 4.692 4.640 -0.000 0.000 0.257 535 D C -0.169 176.007 176.300 -0.207 0.000 1.217 535 D CA 0.429 54.237 54.000 -0.320 0.000 0.897 535 D CB 0.376 41.042 40.800 -0.224 0.000 1.132 535 D HN 0.618 nan 8.370 nan 0.000 0.493 536 S N 0.630 116.174 115.700 -0.260 0.000 2.688 536 S HA 0.436 4.906 4.470 -0.000 0.000 0.275 536 S C -0.405 174.298 174.600 0.172 0.000 1.175 536 S CA -0.986 57.215 58.200 0.002 0.000 0.818 536 S CB 0.601 63.793 63.200 -0.013 0.000 1.157 536 S HN 0.449 nan 8.310 nan 0.000 0.482 537 C N 1.779 121.205 119.300 0.210 0.000 2.657 537 C HA 0.243 4.702 4.460 -0.000 0.000 0.420 537 C C 2.415 177.527 174.990 0.202 0.000 1.323 537 C CA -0.381 58.784 59.018 0.244 0.000 1.894 537 C CB -0.343 27.466 27.740 0.115 0.000 2.681 537 C HN 0.676 nan 8.230 nan 0.000 0.613 538 V N 3.454 123.525 119.914 0.262 0.000 2.287 538 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 538 V C 1.878 178.029 176.094 0.096 0.000 1.053 538 V CA 2.620 65.029 62.300 0.182 0.000 1.027 538 V CB -1.228 30.706 31.823 0.186 0.000 0.646 538 V HN 1.132 nan 8.190 nan 0.000 0.447 539 G N -1.106 107.740 108.800 0.076 0.000 2.727 539 G HA2 0.496 4.456 3.960 -0.000 0.000 0.212 539 G HA3 0.496 4.456 3.960 -0.000 0.000 0.212 539 G C -0.094 174.831 174.900 0.042 0.000 2.076 539 G CA 0.723 45.853 45.100 0.050 0.000 0.744 539 G HN 0.784 nan 8.290 nan 0.000 0.775 540 S N -1.683 114.036 115.700 0.032 0.000 2.586 540 S HA 0.565 5.035 4.470 -0.000 0.000 0.277 540 S C -1.946 172.664 174.600 0.015 0.000 1.131 540 S CA -0.605 57.610 58.200 0.025 0.000 0.848 540 S CB 1.820 65.034 63.200 0.023 0.000 1.091 540 S HN 1.338 nan 8.310 nan 0.000 0.453 541 L N 1.633 122.862 121.223 0.010 0.000 2.753 541 L HA 0.697 5.037 4.340 -0.000 0.000 0.259 541 L C -1.950 174.922 176.870 0.003 0.000 0.958 541 L CA -0.085 54.757 54.840 0.003 0.000 0.955 541 L CB 1.462 43.515 42.059 -0.010 0.000 1.317 541 L HN 0.809 nan 8.230 nan 0.000 0.436 542 V N 4.802 124.720 119.914 0.006 0.000 2.680 542 V HA 0.716 4.836 4.120 -0.000 0.000 0.309 542 V C -0.667 175.431 176.094 0.006 0.000 1.052 542 V CA -0.750 61.553 62.300 0.006 0.000 0.908 542 V CB 2.244 34.072 31.823 0.007 0.000 1.001 542 V HN 0.381 nan 8.190 nan 0.000 0.431 543 V N 5.295 125.212 119.914 0.006 0.000 2.357 543 V HA 0.443 4.563 4.120 -0.000 0.000 0.281 543 V C 0.009 176.107 176.094 0.008 0.000 1.015 543 V CA -0.713 61.592 62.300 0.008 0.000 0.827 543 V CB 1.215 33.043 31.823 0.008 0.000 1.018 543 V HN 1.023 nan 8.190 nan 0.000 0.432 544 K N 1.952 122.357 120.400 0.008 0.000 2.354 544 K HA 0.786 5.106 4.320 -0.000 0.000 0.238 544 K C -0.012 176.594 176.600 0.010 0.000 1.068 544 K CA -0.696 55.596 56.287 0.008 0.000 0.925 544 K CB 1.635 34.140 32.500 0.007 0.000 1.286 544 K HN 0.362 nan 8.250 nan 0.000 0.500 545 S N -1.280 114.426 115.700 0.010 0.000 2.565 545 S HA 0.275 4.745 4.470 -0.000 0.000 0.274 545 S C 0.871 175.477 174.600 0.010 0.000 1.309 545 S CA -0.285 57.922 58.200 0.011 0.000 1.043 545 S CB 0.570 63.777 63.200 0.011 0.000 0.939 545 S HN 0.720 nan 8.310 nan 0.000 0.504 546 G N 2.680 111.486 108.800 0.010 0.000 2.683 546 G HA2 0.087 4.047 3.960 -0.000 0.000 0.213 546 G HA3 0.087 4.047 3.960 -0.000 0.000 0.213 546 G C 0.511 175.415 174.900 0.008 0.000 1.142 546 G CA 0.036 45.141 45.100 0.009 0.000 0.793 546 G HN 0.611 nan 8.290 nan 0.000 0.534 547 Q N 0.761 120.566 119.800 0.008 0.000 2.417 547 Q HA 0.338 4.678 4.340 -0.000 0.000 0.241 547 Q C 0.963 176.967 176.000 0.007 0.000 1.008 547 Q CA 0.083 55.890 55.803 0.007 0.000 0.901 547 Q CB 1.012 29.755 28.738 0.008 0.000 1.259 547 Q HN 0.207 nan 8.270 nan 0.000 0.489 548 S N 1.224 116.928 115.700 0.006 0.000 3.697 548 S HA 0.128 4.598 4.470 -0.000 0.000 0.207 548 S C 0.564 175.168 174.600 0.006 0.000 1.459 548 S CA 0.259 58.462 58.200 0.005 0.000 1.122 548 S CB -0.346 62.856 63.200 0.005 0.000 1.311 548 S HN 0.795 nan 8.310 nan 0.000 0.487 549 E N 0.870 121.074 120.200 0.007 0.000 3.871 549 E HA -0.450 3.899 4.350 -0.000 0.000 0.238 549 E C 0.112 176.717 176.600 0.008 0.000 1.237 549 E CA 1.983 58.387 56.400 0.007 0.000 2.074 549 E CB -1.953 27.751 29.700 0.007 0.000 1.805 549 E HN 0.590 nan 8.360 nan 0.000 0.314 550 D N 0.035 120.439 120.400 0.006 0.000 3.393 550 D HA -0.243 4.396 4.640 -0.000 0.000 0.178 550 D C 0.750 177.054 176.300 0.007 0.000 1.201 550 D CA 2.460 56.463 54.000 0.006 0.000 1.086 550 D CB -1.048 39.755 40.800 0.005 0.000 0.568 550 D HN 0.717 nan 8.370 nan 0.000 0.637 551 R N 0.342 120.846 120.500 0.007 0.000 3.067 551 R HA 0.633 4.973 4.340 -0.000 0.000 0.222 551 R C -0.137 176.169 176.300 0.010 0.000 1.551 551 R CA -0.856 55.249 56.100 0.008 0.000 1.034 551 R CB 0.395 30.698 30.300 0.005 0.000 1.889 551 R HN 0.379 nan 8.270 nan 0.000 0.526 552 Q N 0.806 120.613 119.800 0.011 0.000 2.259 552 Q HA 0.330 4.670 4.340 -0.000 0.000 0.249 552 Q C -2.092 173.913 176.000 0.008 0.000 0.914 552 Q CA -1.972 53.840 55.803 0.014 0.000 0.904 552 Q CB 1.055 29.806 28.738 0.021 0.000 1.213 552 Q HN 0.392 nan 8.270 nan 0.000 0.428 553 P HA 0.002 nan 4.420 nan 0.000 0.271 553 P C -1.069 176.230 177.300 -0.002 0.000 1.238 553 P CA -0.176 62.928 63.100 0.006 0.000 0.794 553 P CB 0.508 32.215 31.700 0.011 0.000 0.959 554 V N 2.176 122.087 119.914 -0.005 0.000 2.555 554 V HA 0.294 4.414 4.120 -0.000 0.000 0.302 554 V C -2.231 173.857 176.094 -0.011 0.000 1.038 554 V CA -1.954 60.338 62.300 -0.013 0.000 0.887 554 V CB 1.377 33.191 31.823 -0.015 0.000 0.991 554 V HN 0.510 nan 8.190 nan 0.000 0.434 555 P HA 0.169 nan 4.420 nan 0.000 0.253 555 P C 0.662 177.957 177.300 -0.008 0.000 1.170 555 P CA 1.345 64.438 63.100 -0.012 0.000 0.806 555 P CB -0.109 31.579 31.700 -0.021 0.000 0.775 556 G N 1.720 110.518 108.800 -0.003 0.000 2.226 556 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.176 556 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.176 556 G C -0.395 174.504 174.900 -0.002 0.000 1.042 556 G CA -0.559 44.539 45.100 -0.002 0.000 0.732 556 G HN 0.636 nan 8.290 nan 0.000 0.494 557 Q N -0.434 119.367 119.800 0.000 0.000 2.394 557 Q HA 0.582 4.922 4.340 -0.000 0.000 0.273 557 Q C -0.113 175.890 176.000 0.004 0.000 1.089 557 Q CA -0.801 55.002 55.803 0.001 0.000 0.812 557 Q CB 1.359 30.097 28.738 0.000 0.000 1.353 557 Q HN 0.450 nan 8.270 nan 0.000 0.438 558 Q N 2.819 122.621 119.800 0.003 0.000 2.293 558 Q HA 0.447 4.787 4.340 -0.000 0.000 0.251 558 Q C -0.554 175.449 176.000 0.006 0.000 0.930 558 Q CA 0.010 55.816 55.803 0.005 0.000 0.893 558 Q CB 1.279 30.020 28.738 0.004 0.000 1.215 558 Q HN 0.578 nan 8.270 nan 0.000 0.425 559 M N -1.136 118.469 119.600 0.008 0.000 2.378 559 M HA 0.481 4.961 4.480 -0.000 0.000 0.289 559 M C -1.082 175.223 176.300 0.009 0.000 1.136 559 M CA -0.872 54.434 55.300 0.009 0.000 0.917 559 M CB 2.080 34.687 32.600 0.011 0.000 1.669 559 M HN 0.189 nan 8.290 nan 0.000 0.461 560 T N 3.533 118.092 114.554 0.009 0.000 2.814 560 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 560 T C -0.658 174.048 174.700 0.010 0.000 0.956 560 T CA -0.242 61.863 62.100 0.009 0.000 1.123 560 T CB 0.547 69.420 68.868 0.008 0.000 0.902 560 T HN 0.543 nan 8.240 nan 0.000 0.528 561 L N 4.704 125.933 121.223 0.011 0.000 2.313 561 L HA 0.410 4.750 4.340 -0.000 0.000 0.273 561 L C 0.136 177.013 176.870 0.012 0.000 1.028 561 L CA -0.447 54.400 54.840 0.012 0.000 0.871 561 L CB 0.506 42.573 42.059 0.014 0.000 1.242 561 L HN 0.466 nan 8.230 nan 0.000 0.434 562 K N 5.076 125.482 120.400 0.011 0.000 2.350 562 K HA 0.405 4.724 4.320 -0.000 0.000 0.279 562 K C -0.989 175.618 176.600 0.011 0.000 1.027 562 K CA -0.135 56.159 56.287 0.011 0.000 0.969 562 K CB 0.500 33.007 32.500 0.011 0.000 0.954 562 K HN 0.663 nan 8.250 nan 0.000 0.474 563 I N 4.570 125.147 120.570 0.012 0.000 2.448 563 I HA 0.131 4.301 4.170 -0.000 0.000 0.281 563 I C -0.673 175.452 176.117 0.014 0.000 1.027 563 I CA -0.485 60.822 61.300 0.012 0.000 1.111 563 I CB 1.793 39.800 38.000 0.011 0.000 1.236 563 I HN 0.598 nan 8.210 nan 0.000 0.452 564 E N 5.502 125.710 120.200 0.013 0.000 2.079 564 E HA 0.422 4.771 4.350 -0.000 0.000 0.252 564 E C 0.258 176.868 176.600 0.017 0.000 0.992 564 E CA -0.325 56.085 56.400 0.016 0.000 0.829 564 E CB 1.440 31.148 29.700 0.015 0.000 1.158 564 E HN 0.772 nan 8.360 nan 0.000 0.435 565 G N 1.922 110.734 108.800 0.020 0.000 3.108 565 G HA2 0.251 4.211 3.960 -0.000 0.000 0.268 565 G HA3 0.251 4.211 3.960 -0.000 0.000 0.268 565 G C -0.599 174.320 174.900 0.031 0.000 1.361 565 G CA -0.644 44.467 45.100 0.018 0.000 1.047 565 G HN 0.219 nan 8.290 nan 0.000 0.540 566 D N -0.515 119.903 120.400 0.029 0.000 2.313 566 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 566 D C 0.049 176.389 176.300 0.067 0.000 1.094 566 D CA 0.055 54.087 54.000 0.052 0.000 0.925 566 D CB 1.177 42.002 40.800 0.040 0.000 1.188 566 D HN 0.400 nan 8.370 nan 0.000 0.430 567 H N -0.546 118.530 119.070 0.009 0.000 2.707 567 H HA 0.357 4.913 4.556 -0.000 0.000 0.359 567 H C 1.373 176.707 175.328 0.010 0.000 1.113 567 H CA 1.069 57.122 56.048 0.009 0.000 1.422 567 H CB 0.561 30.329 29.762 0.009 0.000 1.443 567 H HN 0.557 nan 8.280 nan 0.000 0.591 568 G N 2.210 110.589 108.800 -0.701 0.000 2.166 568 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 568 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 568 G C 0.137 174.940 174.900 -0.161 0.000 0.986 568 G CA 0.448 45.297 45.100 -0.419 0.000 0.683 568 G HN 0.929 nan 8.290 nan 0.000 0.527 569 A N -0.312 122.438 122.820 -0.116 0.000 2.305 569 A HA 0.807 5.127 4.320 -0.000 0.000 0.322 569 A C 0.467 178.027 177.584 -0.041 0.000 1.187 569 A CA -0.108 51.899 52.037 -0.051 0.000 0.825 569 A CB 0.681 19.666 19.000 -0.025 0.000 1.164 569 A HN 0.710 nan 8.150 nan 0.000 0.498 570 R N 2.513 123.003 120.500 -0.017 0.000 2.221 570 R HA 0.500 4.840 4.340 -0.000 0.000 0.327 570 R C -1.470 174.839 176.300 0.015 0.000 1.033 570 R CA -0.200 55.899 56.100 -0.001 0.000 0.887 570 R CB 0.591 30.898 30.300 0.013 0.000 1.057 570 R HN 0.445 nan 8.270 nan 0.000 0.455 571 V N 6.370 126.291 119.914 0.012 0.000 2.398 571 V HA 0.258 4.378 4.120 -0.000 0.000 0.286 571 V C -0.113 176.003 176.094 0.035 0.000 1.026 571 V CA -0.737 61.575 62.300 0.020 0.000 0.868 571 V CB 1.485 33.314 31.823 0.009 0.000 0.982 571 V HN 0.627 nan 8.190 nan 0.000 0.443 572 V N 4.688 124.639 119.914 0.061 0.000 2.398 572 V HA 0.671 4.791 4.120 -0.000 0.000 0.286 572 V C -0.329 175.804 176.094 0.064 0.000 1.026 572 V CA -0.572 61.771 62.300 0.071 0.000 0.868 572 V CB 1.146 33.039 31.823 0.118 0.000 0.982 572 V HN 0.635 nan 8.190 nan 0.000 0.443 573 L N 4.611 125.862 121.223 0.047 0.000 2.365 573 L HA 0.895 5.235 4.340 -0.000 0.000 0.267 573 L C -0.242 176.660 176.870 0.052 0.000 1.033 573 L CA -1.074 53.793 54.840 0.045 0.000 0.802 573 L CB 1.950 44.029 42.059 0.033 0.000 1.267 573 L HN 0.639 nan 8.230 nan 0.000 0.457 574 V N 0.701 120.649 119.914 0.056 0.000 2.812 574 V HA 0.564 4.684 4.120 -0.000 0.000 0.280 574 V C -1.186 174.951 176.094 0.072 0.000 1.324 574 V CA -0.316 62.023 62.300 0.064 0.000 0.933 574 V CB 1.569 33.440 31.823 0.080 0.000 1.091 574 V HN 0.842 nan 8.190 nan 0.000 0.455 575 A N 6.285 129.143 122.820 0.064 0.000 2.290 575 A HA 0.909 5.229 4.320 -0.000 0.000 0.310 575 A C -0.760 176.875 177.584 0.086 0.000 1.202 575 A CA -0.442 51.639 52.037 0.073 0.000 0.837 575 A CB 1.562 20.596 19.000 0.057 0.000 1.139 575 A HN 1.420 nan 8.150 nan 0.000 0.509 576 V N 2.613 122.604 119.914 0.128 0.000 2.638 576 V HA 0.248 4.368 4.120 -0.000 0.000 0.306 576 V C -0.595 175.612 176.094 0.188 0.000 1.052 576 V CA -0.852 61.531 62.300 0.138 0.000 0.885 576 V CB 1.991 33.915 31.823 0.167 0.000 0.999 576 V HN 0.985 nan 8.190 nan 0.000 0.424 577 D N 3.058 123.532 120.400 0.123 0.000 2.425 577 D HA 0.108 4.747 4.640 -0.000 0.000 0.247 577 D C 1.127 177.563 176.300 0.226 0.000 1.147 577 D CA 0.224 54.308 54.000 0.140 0.000 0.879 577 D CB 1.198 42.052 40.800 0.091 0.000 1.179 577 D HN 0.512 nan 8.370 nan 0.000 0.456 578 K N 2.239 122.792 120.400 0.255 0.000 2.280 578 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 578 K C 1.813 178.577 176.600 0.273 0.000 1.047 578 K CA 0.891 57.385 56.287 0.344 0.000 0.942 578 K CB 0.025 32.622 32.500 0.161 0.000 0.739 578 K HN 0.556 nan 8.250 nan 0.000 0.457 579 G N 0.845 109.735 108.800 0.150 0.000 2.470 579 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 579 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 579 G C 1.445 176.351 174.900 0.010 0.000 1.121 579 G CA 0.392 45.537 45.100 0.075 0.000 0.766 579 G HN 0.100 nan 8.290 nan 0.000 0.553 580 V N 0.097 119.986 119.914 -0.041 0.000 2.453 580 V HA -0.017 4.103 4.120 -0.000 0.000 0.247 580 V C 2.177 178.074 176.094 -0.329 0.000 1.048 580 V CA 1.036 63.183 62.300 -0.255 0.000 1.049 580 V CB -0.573 30.993 31.823 -0.427 0.000 0.672 580 V HN 0.361 nan 8.190 nan 0.000 0.457 581 F N -0.586 119.329 119.950 -0.058 0.000 2.802 581 F HA 0.032 4.558 4.527 -0.000 0.000 0.300 581 F C 1.982 177.746 175.800 -0.059 0.000 1.168 581 F CA 0.404 58.373 58.000 -0.051 0.000 1.433 581 F CB -0.650 38.336 39.000 -0.024 0.000 1.115 581 F HN -0.041 nan 8.300 nan 0.000 0.582 582 V N -0.577 119.372 119.914 0.057 0.000 2.488 582 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 582 V C 1.960 178.019 176.094 -0.058 0.000 1.046 582 V CA 1.350 63.648 62.300 -0.002 0.000 1.053 582 V CB -0.331 31.468 31.823 -0.040 0.000 0.679 582 V HN 0.220 nan 8.190 nan 0.000 0.458 583 L N -0.243 120.905 121.223 -0.124 0.000 2.416 583 L HA 0.286 4.626 4.340 -0.000 0.000 0.216 583 L C 0.633 177.419 176.870 -0.140 0.000 1.098 583 L CA 0.893 55.633 54.840 -0.166 0.000 0.840 583 L CB -0.277 41.600 42.059 -0.303 0.000 0.981 583 L HN 0.402 nan 8.230 nan 0.000 0.462 584 N N 0.033 118.658 118.700 -0.125 0.000 2.648 584 N HA 0.134 4.874 4.740 -0.000 0.000 0.272 584 N C -0.629 174.873 175.510 -0.013 0.000 1.118 584 N CA -0.262 52.742 53.050 -0.076 0.000 0.973 584 N CB 1.050 39.468 38.487 -0.115 0.000 1.565 584 N HN 0.149 nan 8.380 nan 0.000 0.542 585 K N 1.341 121.788 120.400 0.078 0.000 2.646 585 K HA 0.386 4.706 4.320 -0.000 0.000 0.206 585 K C -0.325 176.367 176.600 0.153 0.000 1.069 585 K CA -0.467 55.942 56.287 0.204 0.000 1.067 585 K CB 0.510 33.137 32.500 0.211 0.000 0.807 585 K HN 0.210 nan 8.250 nan 0.000 0.482 586 K N 0.980 121.440 120.400 0.101 0.000 2.132 586 K HA 0.298 4.618 4.320 -0.000 0.000 0.241 586 K C -0.354 176.313 176.600 0.112 0.000 1.000 586 K CA -0.854 55.489 56.287 0.095 0.000 0.911 586 K CB 0.644 33.185 32.500 0.069 0.000 1.093 586 K HN 0.220 nan 8.250 nan 0.000 0.460 587 N N 0.655 119.423 118.700 0.113 0.000 2.735 587 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 587 N C -1.309 174.288 175.510 0.145 0.000 1.083 587 N CA 0.506 53.634 53.050 0.130 0.000 0.703 587 N CB -0.852 37.719 38.487 0.140 0.000 1.005 587 N HN 0.332 nan 8.380 nan 0.000 0.550 588 K N 1.075 121.562 120.400 0.144 0.000 2.276 588 K HA 0.249 4.569 4.320 -0.000 0.000 0.285 588 K C -0.039 176.633 176.600 0.120 0.000 1.062 588 K CA -0.775 55.605 56.287 0.156 0.000 0.918 588 K CB 1.184 33.786 32.500 0.170 0.000 1.055 588 K HN 0.053 nan 8.250 nan 0.000 0.477 589 L N 3.465 124.759 121.223 0.118 0.000 2.597 589 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 589 L C -0.691 176.191 176.870 0.020 0.000 1.157 589 L CA 1.237 56.122 54.840 0.075 0.000 0.928 589 L CB 0.009 42.118 42.059 0.083 0.000 1.216 589 L HN 0.555 nan 8.230 nan 0.000 0.481 590 T N 3.605 118.157 114.554 -0.004 0.000 2.900 590 T HA 0.176 4.526 4.350 -0.000 0.000 0.295 590 T C 0.514 175.167 174.700 -0.078 0.000 1.044 590 T CA -0.273 61.814 62.100 -0.023 0.000 0.995 590 T CB 1.850 70.731 68.868 0.021 0.000 1.072 590 T HN 0.549 nan 8.240 nan 0.000 0.473 591 Q N 1.464 121.217 119.800 -0.077 0.000 2.234 591 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 591 Q C 2.312 178.320 176.000 0.013 0.000 0.980 591 Q CA 1.935 57.673 55.803 -0.109 0.000 0.869 591 Q CB -0.385 28.357 28.738 0.005 0.000 0.912 591 Q HN 0.660 nan 8.270 nan 0.000 0.436 592 S N -0.626 115.128 115.700 0.090 0.000 2.383 592 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 592 S C 1.542 176.221 174.600 0.131 0.000 1.026 592 S CA 1.299 59.595 58.200 0.160 0.000 0.981 592 S CB -0.055 63.217 63.200 0.120 0.000 0.818 592 S HN 0.448 nan 8.310 nan 0.000 0.472 593 K N 0.378 120.817 120.400 0.066 0.000 2.228 593 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 593 K C 1.924 178.562 176.600 0.063 0.000 1.051 593 K CA 1.006 57.345 56.287 0.085 0.000 0.960 593 K CB -0.167 32.388 32.500 0.093 0.000 0.743 593 K HN 0.436 nan 8.250 nan 0.000 0.458 594 I N -0.400 120.093 120.570 -0.128 0.000 2.163 594 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 594 I C 1.825 177.789 176.117 -0.254 0.000 1.081 594 I CA 1.515 62.597 61.300 -0.362 0.000 1.353 594 I CB -0.321 37.138 38.000 -0.902 0.000 1.054 594 I HN 0.270 nan 8.210 nan 0.000 0.407 595 W N 1.025 122.309 121.300 -0.026 0.000 2.465 595 W HA -0.177 4.483 4.660 -0.000 0.000 0.268 595 W C 2.218 178.771 176.519 0.057 0.000 1.242 595 W CA 0.507 57.857 57.345 0.007 0.000 1.248 595 W CB -0.384 29.086 29.460 0.018 0.000 1.118 595 W HN 0.187 nan 8.180 nan 0.000 0.587 596 D N 0.280 120.834 120.400 0.256 0.000 2.117 596 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 596 D C 1.982 178.398 176.300 0.195 0.000 0.987 596 D CA 1.384 55.507 54.000 0.206 0.000 0.829 596 D CB -0.166 40.734 40.800 0.167 0.000 0.961 596 D HN -0.006 nan 8.370 nan 0.000 0.460 597 V N -0.109 119.924 119.914 0.198 0.000 2.453 597 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 597 V C 2.672 178.911 176.094 0.241 0.000 1.048 597 V CA 1.057 63.497 62.300 0.234 0.000 1.049 597 V CB -0.200 31.798 31.823 0.291 0.000 0.672 597 V HN 0.103 nan 8.190 nan 0.000 0.457 598 V N -0.147 119.838 119.914 0.117 0.000 2.358 598 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 598 V C 2.605 178.859 176.094 0.267 0.000 1.047 598 V CA 1.969 64.344 62.300 0.125 0.000 1.035 598 V CB -0.531 31.334 31.823 0.069 0.000 0.658 598 V HN 0.549 nan 8.190 nan 0.000 0.452 599 E N 1.124 121.477 120.200 0.256 0.000 2.072 599 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 599 E C 1.625 178.329 176.600 0.173 0.000 0.985 599 E CA 0.971 57.509 56.400 0.230 0.000 0.801 599 E CB -0.054 29.782 29.700 0.227 0.000 0.750 599 E HN 0.538 nan 8.360 nan 0.000 0.452 600 K N -0.093 120.406 120.400 0.166 0.000 2.968 600 K HA 0.151 4.471 4.320 -0.000 0.000 0.249 600 K C 0.437 177.126 176.600 0.149 0.000 1.062 600 K CA 0.299 56.660 56.287 0.124 0.000 1.215 600 K CB 0.320 32.887 32.500 0.111 0.000 1.097 600 K HN 0.018 nan 8.250 nan 0.000 0.462 601 A N 0.318 123.250 122.820 0.187 0.000 2.701 601 A HA 0.084 4.404 4.320 -0.000 0.000 0.241 601 A C -0.563 177.126 177.584 0.175 0.000 1.231 601 A CA -0.443 51.717 52.037 0.205 0.000 1.003 601 A CB 0.419 19.625 19.000 0.343 0.000 1.281 601 A HN 0.150 nan 8.150 nan 0.000 0.600 602 D N 0.691 121.181 120.400 0.151 0.000 2.423 602 D HA 0.127 4.767 4.640 -0.000 0.000 0.238 602 D C 1.620 177.970 176.300 0.083 0.000 1.142 602 D CA 0.074 54.151 54.000 0.128 0.000 0.884 602 D CB 0.651 41.522 40.800 0.119 0.000 1.199 602 D HN 0.497 nan 8.370 nan 0.000 0.438 603 I N -1.256 119.360 120.570 0.078 0.000 3.444 603 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 603 I C 0.893 177.041 176.117 0.052 0.000 1.302 603 I CA 0.021 61.355 61.300 0.055 0.000 1.368 603 I CB -0.293 37.737 38.000 0.050 0.000 1.048 603 I HN 0.093 nan 8.210 nan 0.000 0.487 604 G N -0.403 108.428 108.800 0.051 0.000 2.410 604 G HA2 0.475 4.435 3.960 -0.000 0.000 0.330 604 G HA3 0.475 4.435 3.960 -0.000 0.000 0.330 604 G C -0.097 174.797 174.900 -0.010 0.000 1.142 604 G CA -0.402 44.717 45.100 0.032 0.000 0.902 604 G HN 0.315 nan 8.290 nan 0.000 0.491 605 c N -0.858 117.733 118.600 -0.015 0.000 2.508 605 c HA 0.289 4.859 4.570 -0.000 0.000 0.407 605 c C 1.303 175.360 174.090 -0.055 0.000 1.494 605 c CA 0.290 56.597 56.329 -0.037 0.000 2.531 605 c CB -0.135 42.374 42.510 -0.001 0.000 2.480 605 c HN 0.624 nan 8.230 nan 0.000 0.614 606 T N 3.782 118.336 114.554 -0.000 0.000 2.888 606 T HA 0.106 4.456 4.350 -0.000 0.000 0.301 606 T C -1.571 173.124 174.700 -0.008 0.000 1.001 606 T CA 0.021 62.141 62.100 0.033 0.000 1.147 606 T CB 0.727 69.662 68.868 0.113 0.000 0.931 606 T HN 0.282 nan 8.240 nan 0.000 0.541 607 P HA 0.079 nan 4.420 nan 0.000 0.221 607 P C 0.520 177.875 177.300 0.091 0.000 1.145 607 P CA 0.774 63.858 63.100 -0.026 0.000 0.795 607 P CB 0.118 31.824 31.700 0.009 0.000 0.775 608 G N -2.753 106.107 108.800 0.099 0.000 2.402 608 G HA2 0.399 4.359 3.960 -0.000 0.000 0.301 608 G HA3 0.399 4.359 3.960 -0.000 0.000 0.301 608 G C -0.913 174.063 174.900 0.127 0.000 1.615 608 G CA 0.115 45.268 45.100 0.088 0.000 0.889 608 G HN 0.073 nan 8.290 nan 0.000 0.647 609 S N -1.619 114.115 115.700 0.057 0.000 3.760 609 S HA 0.425 4.895 4.470 -0.000 0.000 0.734 609 S C 0.682 175.265 174.600 -0.028 0.000 1.581 609 S CA 1.359 59.590 58.200 0.053 0.000 1.575 609 S CB -0.775 62.525 63.200 0.167 0.000 0.391 609 S HN 2.764 nan 8.310 nan 0.000 0.901 610 G N 0.917 109.578 108.800 -0.231 0.000 2.827 610 G HA2 0.590 4.550 3.960 -0.000 0.000 0.296 610 G HA3 0.590 4.550 3.960 -0.000 0.000 0.296 610 G C 0.186 174.440 174.900 -1.077 0.000 1.362 610 G CA 0.112 44.747 45.100 -0.775 0.000 0.809 610 G HN 1.017 nan 8.290 nan 0.000 0.522 611 K N -1.052 118.773 120.400 -0.959 0.000 2.296 611 K HA 0.148 4.468 4.320 -0.000 0.000 0.200 611 K C 0.118 176.473 176.600 -0.408 0.000 1.048 611 K CA 1.517 57.519 56.287 -0.476 0.000 0.966 611 K CB -0.065 32.326 32.500 -0.181 0.000 0.754 611 K HN 0.510 nan 8.250 nan 0.000 0.466 612 D N -1.026 119.134 120.400 -0.400 0.000 2.838 612 D HA -0.055 4.585 4.640 -0.000 0.000 0.334 612 D C 0.741 176.953 176.300 -0.146 0.000 1.315 612 D CA -0.725 52.983 54.000 -0.485 0.000 0.917 612 D CB -0.160 40.440 40.800 -0.334 0.000 1.435 612 D HN 0.003 nan 8.370 nan 0.000 0.517 613 Y N -0.727 119.523 120.300 -0.083 0.000 2.200 613 Y HA 0.234 4.784 4.550 -0.000 0.000 0.290 613 Y C 2.107 178.114 175.900 0.179 0.000 1.137 613 Y CA 1.558 59.723 58.100 0.109 0.000 1.163 613 Y CB -1.129 37.362 38.460 0.052 0.000 0.988 613 Y HN 0.390 nan 8.280 nan 0.000 0.518 614 A N 0.853 123.168 122.820 -0.843 0.000 2.168 614 A HA 0.152 4.472 4.320 -0.000 0.000 0.215 614 A C 2.298 179.797 177.584 -0.142 0.000 1.152 614 A CA 1.074 52.821 52.037 -0.483 0.000 0.716 614 A CB -1.335 17.240 19.000 -0.708 0.000 0.794 614 A HN 0.649 nan 8.150 nan 0.000 0.465 615 G N -0.983 107.724 108.800 -0.156 0.000 2.492 615 G HA2 0.095 4.055 3.960 -0.000 0.000 0.214 615 G HA3 0.095 4.055 3.960 -0.000 0.000 0.214 615 G C 1.347 176.211 174.900 -0.060 0.000 1.147 615 G CA 0.914 45.947 45.100 -0.112 0.000 0.809 615 G HN 0.240 nan 8.290 nan 0.000 0.533 616 V N 0.672 120.559 119.914 -0.046 0.000 2.343 616 V HA -0.112 4.007 4.120 -0.000 0.000 0.247 616 V C 2.441 178.454 176.094 -0.135 0.000 1.051 616 V CA 1.464 63.696 62.300 -0.114 0.000 1.036 616 V CB -0.652 31.056 31.823 -0.191 0.000 0.654 616 V HN 0.320 nan 8.190 nan 0.000 0.451 617 F N 0.673 120.617 119.950 -0.010 0.000 2.113 617 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 617 F C 2.716 178.531 175.800 0.024 0.000 1.103 617 F CA 1.769 59.781 58.000 0.021 0.000 1.248 617 F CB -0.819 38.198 39.000 0.028 0.000 0.999 617 F HN 0.009 nan 8.300 nan 0.000 0.475 618 S N -0.379 115.435 115.700 0.191 0.000 2.382 618 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 618 S C 1.353 175.996 174.600 0.072 0.000 1.027 618 S CA 1.491 59.755 58.200 0.107 0.000 0.991 618 S CB -0.358 62.876 63.200 0.057 0.000 0.823 618 S HN 0.322 nan 8.310 nan 0.000 0.469 619 D N 1.020 121.448 120.400 0.047 0.000 2.347 619 D HA 0.216 4.856 4.640 -0.000 0.000 0.215 619 D C 1.662 177.987 176.300 0.041 0.000 0.976 619 D CA 0.653 54.675 54.000 0.036 0.000 0.884 619 D CB -0.085 40.727 40.800 0.020 0.000 0.915 619 D HN 0.413 nan 8.370 nan 0.000 0.526 620 A N -0.515 122.337 122.820 0.053 0.000 2.035 620 A HA 0.513 4.833 4.320 -0.000 0.000 0.208 620 A C 1.555 179.199 177.584 0.099 0.000 1.206 620 A CA 0.867 52.944 52.037 0.068 0.000 0.773 620 A CB 0.356 19.383 19.000 0.044 0.000 0.878 620 A HN 0.189 nan 8.150 nan 0.000 0.469 621 G N -0.834 108.035 108.800 0.115 0.000 2.338 621 G HA2 0.024 3.984 3.960 -0.000 0.000 0.115 621 G HA3 0.024 3.984 3.960 -0.000 0.000 0.115 621 G C -0.511 174.480 174.900 0.151 0.000 1.053 621 G CA -0.087 45.084 45.100 0.118 0.000 0.733 621 G HN 0.435 nan 8.290 nan 0.000 0.482 622 L N 0.272 121.618 121.223 0.204 0.000 2.424 622 L HA 0.799 5.139 4.340 -0.000 0.000 0.258 622 L C 0.080 177.084 176.870 0.223 0.000 0.995 622 L CA -0.730 54.259 54.840 0.249 0.000 0.821 622 L CB 2.676 44.971 42.059 0.393 0.000 1.383 622 L HN 0.342 nan 8.230 nan 0.000 0.410 623 T N -1.077 113.556 114.554 0.132 0.000 2.912 623 T HA 0.428 4.778 4.350 -0.000 0.000 0.326 623 T C -0.837 173.830 174.700 -0.056 0.000 1.080 623 T CA -0.336 61.790 62.100 0.042 0.000 1.000 623 T CB 0.399 69.289 68.868 0.036 0.000 1.008 623 T HN 0.288 nan 8.240 nan 0.000 0.473 624 F N 3.423 123.122 119.950 -0.419 0.000 2.411 624 F HA 0.572 5.099 4.527 -0.000 0.000 0.355 624 F C -0.280 175.339 175.800 -0.301 0.000 1.117 624 F CA -0.024 57.637 58.000 -0.566 0.000 1.139 624 F CB 0.989 39.174 39.000 -1.359 0.000 1.120 624 F HN 0.600 nan 8.300 nan 0.000 0.493 625 T N 4.836 118.979 114.554 -0.685 0.000 3.031 625 T HA 0.367 4.717 4.350 -0.000 0.000 0.305 625 T C -0.656 173.744 174.700 -0.500 0.000 0.985 625 T CA -0.799 61.052 62.100 -0.415 0.000 1.008 625 T CB 1.188 69.948 68.868 -0.179 0.000 1.005 625 T HN 0.628 nan 8.240 nan 0.000 0.444 626 S N 1.204 116.682 115.700 -0.371 0.000 2.767 626 S HA 0.594 5.064 4.470 -0.000 0.000 0.300 626 S C 1.414 175.952 174.600 -0.103 0.000 1.123 626 S CA -0.232 57.812 58.200 -0.260 0.000 0.992 626 S CB 1.388 64.492 63.200 -0.159 0.000 1.138 626 S HN 0.636 nan 8.310 nan 0.000 0.550 627 S N -0.258 115.401 115.700 -0.068 0.000 2.528 627 S HA 0.063 4.533 4.470 -0.000 0.000 0.219 627 S C 1.396 175.999 174.600 0.004 0.000 0.985 627 S CA 0.389 58.597 58.200 0.013 0.000 0.914 627 S CB -0.641 62.642 63.200 0.139 0.000 0.776 627 S HN 0.549 nan 8.310 nan 0.000 0.526 628 S N 0.971 116.659 115.700 -0.020 0.000 2.414 628 S HA 0.390 4.860 4.470 -0.000 0.000 0.227 628 S C 1.624 176.225 174.600 0.001 0.000 1.022 628 S CA 0.843 59.035 58.200 -0.013 0.000 0.958 628 S CB -0.078 63.108 63.200 -0.022 0.000 0.797 628 S HN 0.971 nan 8.310 nan 0.000 0.493 629 G N 0.277 109.083 108.800 0.009 0.000 2.425 629 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.177 629 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.177 629 G C -0.392 174.541 174.900 0.054 0.000 0.999 629 G CA -0.761 44.352 45.100 0.022 0.000 0.723 629 G HN 0.364 nan 8.290 nan 0.000 0.491 630 Q N 1.839 121.691 119.800 0.088 0.000 2.369 630 Q HA 0.523 4.863 4.340 -0.000 0.000 0.247 630 Q C 0.331 176.453 176.000 0.205 0.000 1.083 630 Q CA 0.176 56.106 55.803 0.212 0.000 0.905 630 Q CB 0.659 29.546 28.738 0.247 0.000 1.305 630 Q HN 0.789 nan 8.270 nan 0.000 0.465 631 Q N 0.033 119.910 119.800 0.129 0.000 2.387 631 Q HA 0.705 5.045 4.340 -0.000 0.000 0.273 631 Q C -0.482 175.521 176.000 0.005 0.000 1.089 631 Q CA -1.039 54.789 55.803 0.042 0.000 0.824 631 Q CB 1.296 30.026 28.738 -0.013 0.000 1.367 631 Q HN 0.468 nan 8.270 nan 0.000 0.443 632 T N -1.125 113.413 114.554 -0.027 0.000 2.754 632 T HA 0.591 4.941 4.350 -0.000 0.000 0.286 632 T C 0.526 175.195 174.700 -0.051 0.000 0.997 632 T CA -0.333 61.733 62.100 -0.058 0.000 0.982 632 T CB 0.693 69.551 68.868 -0.016 0.000 1.027 632 T HN 0.783 nan 8.240 nan 0.000 0.529 633 A N 0.777 123.566 122.820 -0.052 0.000 2.425 633 A HA 0.316 4.636 4.320 -0.000 0.000 0.242 633 A C 0.534 178.109 177.584 -0.015 0.000 1.077 633 A CA -0.604 51.409 52.037 -0.040 0.000 0.781 633 A CB -0.189 18.787 19.000 -0.040 0.000 1.020 633 A HN 0.941 nan 8.150 nan 0.000 0.494 634 Q N 0.738 120.526 119.800 -0.020 0.000 2.332 634 Q HA 0.314 4.654 4.340 -0.000 0.000 0.263 634 Q C -0.191 175.825 176.000 0.027 0.000 0.979 634 Q CA -0.143 55.652 55.803 -0.013 0.000 0.885 634 Q CB 0.456 29.162 28.738 -0.053 0.000 1.218 634 Q HN 0.667 nan 8.270 nan 0.000 0.405 635 R N 2.885 123.430 120.500 0.075 0.000 2.360 635 R HA 0.483 4.823 4.340 -0.000 0.000 0.318 635 R C -0.633 175.817 176.300 0.249 0.000 0.950 635 R CA 0.213 56.383 56.100 0.118 0.000 0.837 635 R CB 1.052 31.410 30.300 0.097 0.000 1.165 635 R HN 0.811 nan 8.270 nan 0.000 0.458 636 A N 4.100 127.059 122.820 0.232 0.000 1.944 636 A HA 0.151 4.471 4.320 -0.000 0.000 0.207 636 A C 0.119 177.848 177.584 0.241 0.000 1.265 636 A CA 0.202 52.487 52.037 0.413 0.000 0.712 636 A CB -0.004 19.158 19.000 0.269 0.000 0.915 636 A HN 0.724 nan 8.150 nan 0.000 0.470 637 E N 0.464 120.741 120.200 0.129 0.000 2.360 637 E HA 0.252 4.602 4.350 -0.000 0.000 0.269 637 E C 0.401 177.015 176.600 0.024 0.000 1.022 637 E CA -0.318 56.120 56.400 0.065 0.000 0.887 637 E CB 0.942 30.672 29.700 0.051 0.000 0.990 637 E HN 0.406 nan 8.360 nan 0.000 0.426 638 L N 1.935 123.152 121.223 -0.010 0.000 1.988 638 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 638 L C 1.049 177.914 176.870 -0.008 0.000 1.071 638 L CA 1.274 56.095 54.840 -0.031 0.000 0.744 638 L CB -0.346 41.684 42.059 -0.048 0.000 0.893 638 L HN 0.502 nan 8.230 nan 0.000 0.433 639 Q N -0.975 118.824 119.800 -0.001 0.000 2.414 639 Q HA 0.170 4.510 4.340 -0.000 0.000 0.206 639 Q C -0.273 175.736 176.000 0.015 0.000 1.058 639 Q CA -0.275 55.533 55.803 0.007 0.000 1.025 639 Q CB 0.506 29.247 28.738 0.004 0.000 1.196 639 Q HN 0.222 nan 8.270 nan 0.000 0.586 640 c N 1.870 120.479 118.600 0.015 0.000 2.605 640 c HA 0.395 4.965 4.570 -0.000 0.000 0.404 640 c C -1.718 172.383 174.090 0.018 0.000 1.284 640 c CA -1.079 55.261 56.329 0.017 0.000 2.199 640 c CB -0.588 41.929 42.510 0.010 0.000 2.647 640 c HN 0.672 nan 8.230 nan 0.000 0.604 641 P HA 0.159 nan 4.420 nan 0.000 0.269 641 P C -0.302 177.010 177.300 0.021 0.000 1.211 641 P CA 0.363 63.478 63.100 0.025 0.000 0.781 641 P CB 0.213 31.932 31.700 0.031 0.000 0.877 642 Q N 0.000 119.812 119.800 0.020 0.000 2.315 642 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 642 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 642 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481