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 3nms_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREXXXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQPAA 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 0.000 174.552 174.600 -0.079 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 P HA 0.330 nan 4.420 nan 0.000 0.269 2 P C -0.674 176.412 177.300 -0.356 0.000 1.209 2 P CA -0.239 62.701 63.100 -0.267 0.000 0.776 2 P CB 0.373 31.893 31.700 -0.300 0.000 0.876 3 M N 2.968 122.286 119.600 -0.469 0.000 2.326 3 M HA 0.356 4.837 4.480 0.002 0.000 0.292 3 M C -1.915 174.058 176.300 -0.544 0.000 1.081 3 M CA -0.708 54.371 55.300 -0.368 0.000 0.919 3 M CB 1.441 34.008 32.600 -0.056 0.000 1.634 3 M HN 0.257 nan 8.290 nan 0.000 0.451 4 Y N 1.871 122.029 120.300 -0.237 0.000 2.352 4 Y HA 0.564 5.114 4.550 0.001 0.000 0.339 4 Y C 0.280 176.019 175.900 -0.268 0.000 0.992 4 Y CA -0.583 57.172 58.100 -0.574 0.000 1.100 4 Y CB 1.808 39.396 38.460 -1.452 0.000 1.192 4 Y HN 0.627 nan 8.280 nan 0.000 0.458 5 S N 2.862 118.535 115.700 -0.045 0.000 2.482 5 S HA 0.754 5.225 4.470 0.002 0.000 0.303 5 S C -1.272 173.283 174.600 -0.074 0.000 1.091 5 S CA -0.667 57.443 58.200 -0.150 0.000 1.057 5 S CB 1.833 64.948 63.200 -0.143 0.000 1.031 5 S HN 0.467 nan 8.310 nan 0.000 0.485 6 I N 2.490 122.925 120.570 -0.225 0.000 2.406 6 I HA 0.564 4.735 4.170 0.002 0.000 0.290 6 I C -1.050 174.960 176.117 -0.178 0.000 0.999 6 I CA -1.728 59.525 61.300 -0.079 0.000 1.124 6 I CB 1.267 39.271 38.000 0.007 0.000 1.289 6 I HN 0.777 nan 8.210 nan 0.000 0.441 7 I N 6.799 127.354 120.570 -0.026 0.000 2.439 7 I HA 0.437 4.608 4.170 0.002 0.000 0.285 7 I C -0.324 175.854 176.117 0.102 0.000 1.021 7 I CA -0.438 60.896 61.300 0.057 0.000 1.091 7 I CB 1.856 39.955 38.000 0.164 0.000 1.242 7 I HN 0.567 nan 8.210 nan 0.000 0.439 8 T N 2.879 117.497 114.554 0.107 0.000 2.887 8 T HA 0.606 4.957 4.350 0.002 0.000 0.292 8 T C -2.995 171.768 174.700 0.104 0.000 1.087 8 T CA -2.554 59.611 62.100 0.109 0.000 1.009 8 T CB 2.086 71.023 68.868 0.116 0.000 1.203 8 T HN 0.080 nan 8.240 nan 0.000 0.518 9 P HA 0.252 nan 4.420 nan 0.000 0.268 9 P C 0.620 177.958 177.300 0.064 0.000 1.205 9 P CA -0.209 62.926 63.100 0.057 0.000 0.771 9 P CB 0.362 32.075 31.700 0.021 0.000 0.858 10 N N 1.606 120.342 118.700 0.059 0.000 2.258 10 N HA -0.094 4.647 4.740 0.002 0.000 0.187 10 N C 0.264 175.806 175.510 0.053 0.000 1.012 10 N CA 1.332 54.418 53.050 0.061 0.000 0.870 10 N CB -0.125 38.395 38.487 0.055 0.000 0.977 10 N HN 0.430 nan 8.380 nan 0.000 0.434 11 I N 0.617 121.206 120.570 0.032 0.000 2.611 11 I HA 0.161 4.332 4.170 0.002 0.000 0.287 11 I C -0.559 175.553 176.117 -0.008 0.000 1.184 11 I CA -0.522 60.785 61.300 0.013 0.000 1.054 11 I CB 1.942 39.936 38.000 -0.010 0.000 1.257 11 I HN -0.219 nan 8.210 nan 0.000 0.435 12 L N 5.549 126.780 121.223 0.012 0.000 2.567 12 L HA 0.592 4.933 4.340 0.002 0.000 0.238 12 L C 0.018 176.864 176.870 -0.040 0.000 1.168 12 L CA -0.733 54.117 54.840 0.017 0.000 0.817 12 L CB 0.567 42.690 42.059 0.106 0.000 1.409 12 L HN 0.515 nan 8.230 nan 0.000 0.502 13 R N -0.252 120.224 120.500 -0.039 0.000 2.698 13 R HA 0.573 4.914 4.340 0.002 0.000 0.275 13 R C -1.524 174.762 176.300 -0.022 0.000 1.001 13 R CA -0.826 55.229 56.100 -0.076 0.000 0.896 13 R CB 1.766 31.956 30.300 -0.183 0.000 1.218 13 R HN 0.349 nan 8.270 nan 0.000 0.462 14 L N 2.113 123.325 121.223 -0.018 0.000 2.417 14 L HA 0.248 4.589 4.340 0.002 0.000 0.268 14 L C 0.408 177.269 176.870 -0.015 0.000 1.158 14 L CA -0.050 54.788 54.840 -0.002 0.000 0.819 14 L CB 0.433 42.489 42.059 -0.005 0.000 1.112 14 L HN 0.777 nan 8.230 nan 0.000 0.458 15 E N -0.373 119.823 120.200 -0.007 0.000 2.883 15 E HA -0.224 4.127 4.350 0.002 0.000 0.271 15 E C -0.298 176.283 176.600 -0.031 0.000 1.049 15 E CA 0.740 57.126 56.400 -0.023 0.000 0.817 15 E CB -1.154 28.516 29.700 -0.050 0.000 1.407 15 E HN 0.733 nan 8.360 nan 0.000 0.434 16 S N -0.754 114.929 115.700 -0.029 0.000 2.569 16 S HA 0.463 4.934 4.470 0.002 0.000 0.280 16 S C -0.471 174.080 174.600 -0.082 0.000 1.111 16 S CA -1.077 57.096 58.200 -0.046 0.000 0.887 16 S CB 2.295 65.471 63.200 -0.040 0.000 1.095 16 S HN 0.143 nan 8.310 nan 0.000 0.476 17 E N 1.277 121.415 120.200 -0.104 0.000 2.344 17 E HA 0.288 4.639 4.350 0.002 0.000 0.270 17 E C -0.193 176.239 176.600 -0.280 0.000 1.021 17 E CA -0.141 56.150 56.400 -0.182 0.000 0.887 17 E CB 0.570 30.191 29.700 -0.132 0.000 0.997 17 E HN 0.513 nan 8.360 nan 0.000 0.429 18 E N 1.198 121.065 120.200 -0.554 0.000 2.355 18 E HA 0.499 4.850 4.350 0.002 0.000 0.261 18 E C -0.769 175.438 176.600 -0.655 0.000 0.943 18 E CA -0.719 55.319 56.400 -0.604 0.000 0.806 18 E CB 2.228 31.509 29.700 -0.698 0.000 1.286 18 E HN 0.310 nan 8.360 nan 0.000 0.424 19 T N 1.213 115.541 114.554 -0.378 0.000 2.933 19 T HA 0.608 4.959 4.350 0.002 0.000 0.305 19 T C -0.325 174.350 174.700 -0.041 0.000 1.092 19 T CA -0.756 61.228 62.100 -0.193 0.000 1.008 19 T CB 1.166 69.969 68.868 -0.108 0.000 1.102 19 T HN 0.489 nan 8.240 nan 0.000 0.469 20 M N 1.096 120.729 119.600 0.054 0.000 2.484 20 M HA 0.777 5.259 4.480 0.002 0.000 0.289 20 M C -1.844 174.512 176.300 0.093 0.000 1.206 20 M CA -0.995 54.367 55.300 0.102 0.000 0.892 20 M CB 1.879 34.581 32.600 0.169 0.000 1.712 20 M HN 0.286 nan 8.290 nan 0.000 0.462 21 V N 4.119 124.094 119.914 0.102 0.000 2.406 21 V HA 0.409 4.530 4.120 0.002 0.000 0.272 21 V C -0.173 176.003 176.094 0.137 0.000 1.043 21 V CA -0.533 61.835 62.300 0.115 0.000 0.915 21 V CB 0.705 32.614 31.823 0.143 0.000 0.988 21 V HN 0.776 nan 8.190 nan 0.000 0.466 22 L N 5.099 126.409 121.223 0.146 0.000 2.289 22 L HA 0.661 5.002 4.340 0.002 0.000 0.285 22 L C 0.116 177.105 176.870 0.198 0.000 1.049 22 L CA -0.150 54.826 54.840 0.227 0.000 0.804 22 L CB 1.038 43.223 42.059 0.209 0.000 1.195 22 L HN 0.636 nan 8.230 nan 0.000 0.428 23 E N 1.900 122.207 120.200 0.178 0.000 2.314 23 E HA 0.665 5.017 4.350 0.002 0.000 0.272 23 E C -1.228 175.243 176.600 -0.216 0.000 0.884 23 E CA -0.899 55.477 56.400 -0.040 0.000 0.753 23 E CB 2.610 32.236 29.700 -0.124 0.000 1.213 23 E HN 0.637 nan 8.360 nan 0.000 0.432 24 A N 3.251 125.924 122.820 -0.244 0.000 2.293 24 A HA 0.380 4.701 4.320 0.002 0.000 0.312 24 A C -1.037 176.291 177.584 -0.428 0.000 1.309 24 A CA -0.677 51.139 52.037 -0.369 0.000 0.839 24 A CB 0.312 19.170 19.000 -0.236 0.000 1.155 24 A HN 0.542 nan 8.150 nan 0.000 0.501 25 H N 2.209 121.144 119.070 -0.225 0.000 2.652 25 H HA 0.235 4.793 4.556 0.003 0.000 0.298 25 H C -0.547 174.684 175.328 -0.161 0.000 1.076 25 H CA 0.326 56.334 56.048 -0.068 0.000 1.360 25 H CB 1.077 30.847 29.762 0.013 0.000 1.421 25 H HN 0.833 nan 8.280 nan 0.000 0.464 26 D N 0.487 120.904 120.400 0.029 0.000 3.091 26 D HA -0.134 4.508 4.640 0.002 0.000 0.216 26 D C 0.120 176.351 176.300 -0.115 0.000 1.129 26 D CA 1.011 55.002 54.000 -0.016 0.000 0.913 26 D CB -1.066 39.728 40.800 -0.010 0.000 1.101 26 D HN 0.715 nan 8.370 nan 0.000 0.426 27 A N -0.355 122.313 122.820 -0.253 0.000 2.299 27 A HA 0.729 5.050 4.320 0.002 0.000 0.332 27 A C 0.160 177.627 177.584 -0.194 0.000 1.131 27 A CA -0.519 51.373 52.037 -0.242 0.000 0.844 27 A CB 1.439 20.261 19.000 -0.296 0.000 1.251 27 A HN -0.051 nan 8.150 nan 0.000 0.486 28 Q N -0.018 119.737 119.800 -0.074 0.000 2.306 28 Q HA 0.546 4.887 4.340 0.002 0.000 0.265 28 Q C 0.441 176.468 176.000 0.045 0.000 1.022 28 Q CA 0.392 56.202 55.803 0.012 0.000 0.853 28 Q CB 1.630 30.381 28.738 0.021 0.000 1.327 28 Q HN 1.805 nan 8.270 nan 0.000 0.449 29 G N 2.451 111.308 108.800 0.095 0.000 2.907 29 G HA2 -0.232 3.729 3.960 0.002 0.000 0.242 29 G HA3 -0.232 3.729 3.960 0.002 0.000 0.242 29 G C -0.962 174.007 174.900 0.114 0.000 1.448 29 G CA -0.497 44.659 45.100 0.092 0.000 0.911 29 G HN 0.632 nan 8.290 nan 0.000 0.553 30 D N -0.807 119.649 120.400 0.094 0.000 2.455 30 D HA 0.397 5.039 4.640 0.002 0.000 0.241 30 D C 0.442 176.800 176.300 0.096 0.000 1.138 30 D CA 0.208 54.267 54.000 0.099 0.000 0.877 30 D CB 1.347 42.188 40.800 0.068 0.000 1.187 30 D HN 0.500 nan 8.370 nan 0.000 0.451 31 V N 4.235 124.220 119.914 0.119 0.000 2.409 31 V HA 0.326 4.447 4.120 0.002 0.000 0.290 31 V C -2.336 173.825 176.094 0.112 0.000 1.017 31 V CA -1.631 60.744 62.300 0.125 0.000 0.841 31 V CB 1.848 33.780 31.823 0.183 0.000 1.003 31 V HN 0.425 nan 8.190 nan 0.000 0.426 32 P HA 0.473 nan 4.420 nan 0.000 0.285 32 P C -1.038 176.262 177.300 -0.001 0.000 1.259 32 P CA -0.298 62.821 63.100 0.032 0.000 0.794 32 P CB 1.435 33.143 31.700 0.014 0.000 0.940 33 V N 2.124 122.013 119.914 -0.042 0.000 2.709 33 V HA 0.615 4.736 4.120 0.002 0.000 0.308 33 V C 0.048 176.046 176.094 -0.160 0.000 1.062 33 V CA -0.597 61.606 62.300 -0.162 0.000 0.901 33 V CB 2.166 33.840 31.823 -0.249 0.000 1.003 33 V HN 0.668 nan 8.190 nan 0.000 0.425 34 T N 1.163 115.597 114.554 -0.201 0.000 2.829 34 T HA 0.836 5.187 4.350 0.002 0.000 0.280 34 T C -0.910 173.675 174.700 -0.192 0.000 0.999 34 T CA -0.668 61.340 62.100 -0.152 0.000 0.983 34 T CB 1.677 70.479 68.868 -0.110 0.000 0.968 34 T HN 0.392 nan 8.240 nan 0.000 0.446 35 V N 3.093 122.912 119.914 -0.158 0.000 2.656 35 V HA 0.742 4.864 4.120 0.002 0.000 0.307 35 V C -0.131 175.855 176.094 -0.179 0.000 1.051 35 V CA -0.619 61.576 62.300 -0.174 0.000 0.893 35 V CB 2.198 33.926 31.823 -0.158 0.000 0.999 35 V HN 1.186 nan 8.190 nan 0.000 0.426 36 T N 3.308 117.739 114.554 -0.206 0.000 2.952 36 T HA 0.610 4.961 4.350 0.002 0.000 0.305 36 T C -0.782 173.691 174.700 -0.378 0.000 1.064 36 T CA -0.469 61.458 62.100 -0.288 0.000 1.008 36 T CB 1.923 70.655 68.868 -0.227 0.000 1.078 36 T HN 0.380 nan 8.240 nan 0.000 0.459 37 V N 3.813 123.429 119.914 -0.497 0.000 2.513 37 V HA 0.576 4.697 4.120 0.002 0.000 0.299 37 V C -0.450 175.319 176.094 -0.541 0.000 1.035 37 V CA -0.883 61.163 62.300 -0.423 0.000 0.889 37 V CB 1.429 33.014 31.823 -0.397 0.000 0.988 37 V HN 0.854 nan 8.190 nan 0.000 0.440 38 H N 2.209 121.253 119.070 -0.043 0.000 2.690 38 H HA 0.344 4.902 4.556 0.002 0.000 0.368 38 H C -0.721 174.634 175.328 0.045 0.000 1.150 38 H CA -0.725 55.321 56.048 -0.004 0.000 1.174 38 H CB 2.237 32.001 29.762 0.004 0.000 1.684 38 H HN 0.910 nan 8.280 nan 0.000 0.538 39 D N 1.309 121.806 120.400 0.162 0.000 2.364 39 D HA -0.034 4.607 4.640 0.002 0.000 0.236 39 D C -0.604 175.831 176.300 0.225 0.000 1.221 39 D CA 0.209 54.302 54.000 0.155 0.000 0.891 39 D CB 1.079 41.938 40.800 0.098 0.000 1.190 39 D HN 0.245 nan 8.370 nan 0.000 0.449 40 F N 0.538 120.535 119.950 0.079 0.000 2.529 40 F HA 0.480 5.008 4.527 0.002 0.000 0.320 40 F C -2.523 173.323 175.800 0.077 0.000 1.118 40 F CA -1.682 56.366 58.000 0.079 0.000 0.915 40 F CB 1.775 40.842 39.000 0.111 0.000 1.161 40 F HN 0.195 nan 8.300 nan 0.000 0.445 41 P HA 0.848 nan 4.420 nan 0.000 0.284 41 P C -0.200 176.913 177.300 -0.312 0.000 1.287 41 P CA -0.027 62.547 63.100 -0.877 0.000 0.824 41 P CB 1.524 32.555 31.700 -1.115 0.000 1.180 42 G N -0.250 108.408 108.800 -0.237 0.000 2.456 42 G HA2 -0.001 3.960 3.960 0.002 0.000 0.204 42 G HA3 -0.001 3.960 3.960 0.002 0.000 0.204 42 G C -1.396 173.443 174.900 -0.103 0.000 1.193 42 G CA -0.615 44.403 45.100 -0.137 0.000 1.220 42 G HN 0.665 nan 8.290 nan 0.000 0.565 43 K N -0.089 120.275 120.400 -0.060 0.000 2.589 43 K HA 0.521 4.842 4.320 0.002 0.000 0.253 43 K C -0.165 176.463 176.600 0.047 0.000 0.974 43 K CA -0.519 55.746 56.287 -0.035 0.000 0.835 43 K CB 2.173 34.604 32.500 -0.115 0.000 1.272 43 K HN 0.463 nan 8.250 nan 0.000 0.444 44 K N 2.116 122.595 120.400 0.133 0.000 2.491 44 K HA 0.184 4.506 4.320 0.002 0.000 0.211 44 K C -0.037 176.626 176.600 0.105 0.000 1.210 44 K CA -0.068 56.273 56.287 0.091 0.000 1.003 44 K CB 0.485 33.020 32.500 0.058 0.000 1.009 44 K HN 0.514 nan 8.250 nan 0.000 0.577 45 L N 1.112 122.473 121.223 0.229 0.000 3.660 45 L HA -0.202 4.139 4.340 0.002 0.000 0.440 45 L C 0.483 177.286 176.870 -0.112 0.000 1.262 45 L CA 0.398 55.250 54.840 0.019 0.000 0.837 45 L CB -1.248 40.865 42.059 0.090 0.000 1.689 45 L HN 0.113 nan 8.230 nan 0.000 0.890 46 V N -1.967 117.872 119.914 -0.127 0.000 2.720 46 V HA 0.028 4.149 4.120 0.002 0.000 0.256 46 V C 1.094 177.115 176.094 -0.122 0.000 1.082 46 V CA 1.610 63.855 62.300 -0.093 0.000 1.101 46 V CB -0.429 31.354 31.823 -0.066 0.000 0.693 46 V HN 0.540 nan 8.190 nan 0.000 0.479 47 L N 0.320 121.420 121.223 -0.204 0.000 2.849 47 L HA 0.421 4.762 4.340 0.002 0.000 0.256 47 L C 0.315 177.049 176.870 -0.228 0.000 0.951 47 L CA 0.566 55.297 54.840 -0.183 0.000 1.003 47 L CB 1.852 43.797 42.059 -0.189 0.000 1.408 47 L HN 0.175 nan 8.230 nan 0.000 0.463 48 S N -1.049 114.559 115.700 -0.154 0.000 2.628 48 S HA -0.027 4.445 4.470 0.002 0.000 0.246 48 S C 1.606 176.155 174.600 -0.085 0.000 1.062 48 S CA 0.340 58.457 58.200 -0.139 0.000 1.028 48 S CB 0.518 63.651 63.200 -0.112 0.000 0.985 48 S HN 0.689 nan 8.310 nan 0.000 0.551 49 S N 2.214 117.878 115.700 -0.060 0.000 2.413 49 S HA -0.154 4.317 4.470 0.002 0.000 0.237 49 S C 0.611 175.194 174.600 -0.029 0.000 1.044 49 S CA 0.931 59.111 58.200 -0.034 0.000 1.024 49 S CB -0.758 62.431 63.200 -0.018 0.000 0.829 49 S HN 0.556 nan 8.310 nan 0.000 0.475 50 E N 1.891 122.073 120.200 -0.031 0.000 2.316 50 E HA 0.508 4.859 4.350 0.002 0.000 0.275 50 E C -0.568 176.011 176.600 -0.036 0.000 1.029 50 E CA 0.068 56.458 56.400 -0.017 0.000 0.871 50 E CB 1.028 30.734 29.700 0.011 0.000 1.022 50 E HN 0.433 nan 8.360 nan 0.000 0.418 51 K N 0.773 121.158 120.400 -0.026 0.000 2.469 51 K HA 0.561 4.882 4.320 0.002 0.000 0.254 51 K C -0.774 175.815 176.600 -0.020 0.000 0.939 51 K CA -0.494 55.773 56.287 -0.034 0.000 0.812 51 K CB 2.371 34.853 32.500 -0.030 0.000 1.301 51 K HN 0.406 nan 8.250 nan 0.000 0.433 52 T N 0.376 114.917 114.554 -0.022 0.000 2.786 52 T HA 0.492 4.843 4.350 0.002 0.000 0.316 52 T C -1.927 172.781 174.700 0.012 0.000 1.503 52 T CA -0.570 61.529 62.100 -0.001 0.000 1.019 52 T CB 1.310 70.182 68.868 0.007 0.000 1.415 52 T HN 0.179 nan 8.240 nan 0.000 0.496 53 V N 3.298 123.231 119.914 0.032 0.000 2.656 53 V HA 0.543 4.664 4.120 0.002 0.000 0.307 53 V C -0.407 175.734 176.094 0.079 0.000 1.051 53 V CA -0.930 61.403 62.300 0.055 0.000 0.893 53 V CB 1.844 33.694 31.823 0.044 0.000 0.999 53 V HN 0.747 nan 8.190 nan 0.000 0.426 54 L N 3.697 124.995 121.223 0.124 0.000 2.315 54 L HA 0.354 4.695 4.340 0.002 0.000 0.278 54 L C 0.485 177.458 176.870 0.173 0.000 1.088 54 L CA -0.050 54.882 54.840 0.154 0.000 0.899 54 L CB 0.462 42.654 42.059 0.221 0.000 1.277 54 L HN 0.677 nan 8.230 nan 0.000 0.431 55 T N 2.938 117.540 114.554 0.081 0.000 2.918 55 T HA 0.090 4.441 4.350 0.002 0.000 0.302 55 T C -1.501 173.169 174.700 -0.051 0.000 1.045 55 T CA -0.930 61.196 62.100 0.044 0.000 1.114 55 T CB 1.172 70.045 68.868 0.007 0.000 0.965 55 T HN 0.302 nan 8.240 nan 0.000 0.540 56 P HA -0.051 nan 4.420 nan 0.000 0.223 56 P C 1.226 178.403 177.300 -0.205 0.000 1.144 56 P CA 0.559 63.527 63.100 -0.219 0.000 0.783 56 P CB 0.003 31.692 31.700 -0.018 0.000 0.771 57 A N -0.044 122.707 122.820 -0.115 0.000 1.845 57 A HA -0.155 4.166 4.320 0.002 0.000 0.215 57 A C 1.885 179.396 177.584 -0.122 0.000 1.195 57 A CA 2.422 54.405 52.037 -0.091 0.000 0.616 57 A CB -1.855 17.115 19.000 -0.049 0.000 0.832 57 A HN 0.323 nan 8.150 nan 0.000 0.443 58 T N -3.042 111.437 114.554 -0.125 0.000 3.327 58 T HA 0.272 4.623 4.350 0.002 0.000 0.241 58 T C 0.092 174.675 174.700 -0.196 0.000 0.907 58 T CA 0.160 62.188 62.100 -0.120 0.000 0.931 58 T CB -1.010 67.818 68.868 -0.066 0.000 1.112 58 T HN 0.409 nan 8.240 nan 0.000 0.589 59 N N 3.059 121.566 118.700 -0.321 0.000 2.686 59 N HA -0.239 4.503 4.740 0.002 0.000 0.249 59 N C -0.303 174.966 175.510 -0.402 0.000 1.082 59 N CA 1.299 54.073 53.050 -0.460 0.000 0.725 59 N CB -1.781 36.501 38.487 -0.341 0.000 1.009 59 N HN 0.813 nan 8.380 nan 0.000 0.545 60 H N -3.897 115.121 119.070 -0.087 0.000 2.826 60 H HA -0.205 4.355 4.556 0.005 0.000 0.306 60 H C 0.006 175.292 175.328 -0.069 0.000 1.235 60 H CA 1.181 57.190 56.048 -0.065 0.000 1.150 60 H CB -1.739 27.968 29.762 -0.092 0.000 1.409 60 H HN 0.483 nan 8.280 nan 0.000 0.420 61 M N 0.717 120.325 119.600 0.013 0.000 2.181 61 M HA 0.460 4.941 4.480 0.002 0.000 0.323 61 M C 0.834 177.159 176.300 0.042 0.000 1.004 61 M CA -0.214 55.097 55.300 0.020 0.000 0.941 61 M CB 2.159 34.745 32.600 -0.024 0.000 1.579 61 M HN 0.372 nan 8.290 nan 0.000 0.427 62 G N 2.650 111.495 108.800 0.075 0.000 2.410 62 G HA2 0.435 4.396 3.960 0.002 0.000 0.330 62 G HA3 0.435 4.396 3.960 0.002 0.000 0.330 62 G C -0.824 174.109 174.900 0.055 0.000 1.142 62 G CA -0.532 44.612 45.100 0.073 0.000 0.902 62 G HN 0.697 nan 8.290 nan 0.000 0.491 63 N N 0.273 118.997 118.700 0.040 0.000 2.417 63 N HA 0.376 5.117 4.740 0.002 0.000 0.274 63 N C -1.186 174.345 175.510 0.035 0.000 0.987 63 N CA -0.271 52.797 53.050 0.030 0.000 0.912 63 N CB 2.436 40.931 38.487 0.014 0.000 1.177 63 N HN 0.117 nan 8.380 nan 0.000 0.490 64 V N 2.478 122.419 119.914 0.044 0.000 2.357 64 V HA 0.382 4.503 4.120 0.002 0.000 0.284 64 V C -0.118 175.995 176.094 0.032 0.000 1.018 64 V CA -0.440 61.907 62.300 0.079 0.000 0.841 64 V CB 1.430 33.339 31.823 0.144 0.000 0.991 64 V HN 0.722 nan 8.190 nan 0.000 0.437 65 T N 3.322 117.900 114.554 0.041 0.000 2.840 65 T HA 0.824 5.175 4.350 0.002 0.000 0.287 65 T C -0.860 173.875 174.700 0.058 0.000 0.991 65 T CA -0.551 61.524 62.100 -0.042 0.000 0.964 65 T CB 1.221 70.069 68.868 -0.033 0.000 0.954 65 T HN 0.579 nan 8.240 nan 0.000 0.438 66 F N -0.854 119.080 119.950 -0.026 0.000 2.668 66 F HA 0.829 5.357 4.527 0.002 0.000 0.309 66 F C -1.288 174.494 175.800 -0.030 0.000 1.117 66 F CA -1.226 56.755 58.000 -0.032 0.000 0.951 66 F CB 1.289 40.265 39.000 -0.041 0.000 1.323 66 F HN 0.457 nan 8.300 nan 0.000 0.451 67 T N 3.579 118.299 114.554 0.277 0.000 2.930 67 T HA 0.496 4.847 4.350 0.002 0.000 0.313 67 T C -0.388 174.418 174.700 0.177 0.000 1.019 67 T CA -0.295 61.900 62.100 0.159 0.000 1.004 67 T CB 0.738 69.636 68.868 0.050 0.000 0.987 67 T HN 0.640 nan 8.240 nan 0.000 0.456 68 I N 5.254 125.947 120.570 0.205 0.000 2.436 68 I HA 0.199 4.370 4.170 0.002 0.000 0.289 68 I C -1.839 174.308 176.117 0.051 0.000 1.083 68 I CA -1.912 59.452 61.300 0.106 0.000 1.372 68 I CB 0.533 38.599 38.000 0.110 0.000 1.408 68 I HN 0.299 nan 8.210 nan 0.000 0.516 69 P HA 0.116 nan 4.420 nan 0.000 0.282 69 P C -0.645 176.660 177.300 0.009 0.000 1.286 69 P CA -0.456 62.651 63.100 0.013 0.000 0.777 69 P CB 0.595 32.299 31.700 0.007 0.000 1.184 70 A N 0.427 123.250 122.820 0.004 0.000 3.165 70 A HA 0.300 4.621 4.320 0.002 0.000 0.331 70 A C -0.088 177.500 177.584 0.006 0.000 1.034 70 A CA -0.373 51.667 52.037 0.005 0.000 0.906 70 A CB -1.046 17.954 19.000 0.001 0.000 1.054 70 A HN 0.329 nan 8.150 nan 0.000 0.484 71 N N 0.763 119.467 118.700 0.008 0.000 2.354 71 N HA 0.121 4.862 4.740 0.002 0.000 0.246 71 N C 0.200 175.715 175.510 0.009 0.000 1.285 71 N CA -0.065 52.990 53.050 0.008 0.000 0.925 71 N CB 0.364 38.855 38.487 0.008 0.000 1.174 71 N HN 0.468 nan 8.380 nan 0.000 0.478 72 R N 1.767 122.273 120.500 0.009 0.000 2.543 72 R HA -0.068 4.273 4.340 0.002 0.000 0.348 72 R C 0.536 176.843 176.300 0.010 0.000 0.981 72 R CA 0.185 56.290 56.100 0.009 0.000 1.019 72 R CB -0.524 29.781 30.300 0.008 0.000 0.944 72 R HN 0.649 nan 8.270 nan 0.000 0.425 79 G N 1.090 109.880 108.800 -0.017 0.000 2.234 79 G HA2 -0.268 3.693 3.960 0.002 0.000 0.260 79 G HA3 -0.268 3.693 3.960 0.002 0.000 0.260 79 G C -0.271 174.624 174.900 -0.008 0.000 0.987 79 G CA 0.823 45.914 45.100 -0.014 0.000 0.625 79 G HN 0.337 nan 8.290 nan 0.000 0.532 80 R N 0.785 121.282 120.500 -0.005 0.000 2.360 80 R HA 0.341 4.682 4.340 0.002 0.000 0.318 80 R C -0.472 175.809 176.300 -0.031 0.000 0.950 80 R CA -0.957 55.147 56.100 0.007 0.000 0.837 80 R CB 0.626 30.949 30.300 0.040 0.000 1.165 80 R HN 0.196 nan 8.270 nan 0.000 0.458 81 N N 3.074 121.724 118.700 -0.083 0.000 2.219 81 N HA -0.086 4.655 4.740 0.002 0.000 0.263 81 N C -0.448 174.844 175.510 -0.362 0.000 1.269 81 N CA 0.850 53.736 53.050 -0.275 0.000 0.831 81 N CB 0.454 38.686 38.487 -0.424 0.000 1.059 81 N HN 0.319 nan 8.380 nan 0.000 0.475 82 K N 1.605 121.802 120.400 -0.339 0.000 2.174 82 K HA 0.411 4.732 4.320 0.002 0.000 0.275 82 K C -0.393 175.960 176.600 -0.411 0.000 1.015 82 K CA -0.164 55.998 56.287 -0.207 0.000 0.933 82 K CB 0.790 33.242 32.500 -0.079 0.000 1.025 82 K HN 0.306 nan 8.250 nan 0.000 0.463 83 F N 0.096 120.082 119.950 0.060 0.000 2.679 83 F HA 0.538 5.066 4.527 0.002 0.000 0.341 83 F C -0.185 175.634 175.800 0.031 0.000 1.095 83 F CA -0.924 57.064 58.000 -0.020 0.000 1.004 83 F CB 1.588 40.467 39.000 -0.202 0.000 1.388 83 F HN 0.190 nan 8.300 nan 0.000 0.505 84 V N -2.156 117.881 119.914 0.205 0.000 3.087 84 V HA 0.714 4.836 4.120 0.002 0.000 0.306 84 V C -1.088 175.043 176.094 0.061 0.000 1.187 84 V CA -0.935 61.453 62.300 0.146 0.000 0.999 84 V CB 1.336 33.205 31.823 0.076 0.000 1.049 84 V HN 0.691 nan 8.190 nan 0.000 0.431 85 T N 2.098 116.726 114.554 0.123 0.000 2.770 85 T HA 0.632 4.983 4.350 0.002 0.000 0.297 85 T C -0.113 174.618 174.700 0.051 0.000 0.997 85 T CA -0.419 61.735 62.100 0.090 0.000 0.949 85 T CB 1.070 70.065 68.868 0.212 0.000 0.941 85 T HN 0.748 nan 8.240 nan 0.000 0.457 86 V N 3.440 123.347 119.914 -0.012 0.000 2.686 86 V HA 0.441 4.562 4.120 0.002 0.000 0.295 86 V C 0.206 176.280 176.094 -0.033 0.000 1.057 86 V CA -0.683 61.575 62.300 -0.069 0.000 1.012 86 V CB 1.325 33.097 31.823 -0.085 0.000 1.006 86 V HN 0.850 nan 8.190 nan 0.000 0.477 87 Q N 1.895 121.658 119.800 -0.062 0.000 2.350 87 Q HA 0.652 4.993 4.340 0.002 0.000 0.255 87 Q C -0.997 174.934 176.000 -0.116 0.000 0.951 87 Q CA -0.393 55.385 55.803 -0.041 0.000 0.751 87 Q CB 1.807 30.568 28.738 0.040 0.000 1.296 87 Q HN 0.984 nan 8.270 nan 0.000 0.453 88 A N 2.557 125.282 122.820 -0.158 0.000 2.287 88 A HA 0.654 4.975 4.320 0.002 0.000 0.317 88 A C -0.564 176.753 177.584 -0.446 0.000 1.220 88 A CA -0.427 51.409 52.037 -0.335 0.000 0.835 88 A CB 1.073 19.837 19.000 -0.393 0.000 1.180 88 A HN 0.547 nan 8.150 nan 0.000 0.500 89 T N 3.272 117.554 114.554 -0.453 0.000 2.874 89 T HA 0.447 4.798 4.350 0.002 0.000 0.321 89 T C -0.646 173.792 174.700 -0.436 0.000 1.075 89 T CA 0.064 61.959 62.100 -0.341 0.000 0.966 89 T CB -0.480 68.284 68.868 -0.173 0.000 1.001 89 T HN 0.360 nan 8.240 nan 0.000 0.476 90 F N 2.664 122.438 119.950 -0.294 0.000 2.444 90 F HA 0.487 5.014 4.527 0.000 0.000 0.360 90 F C 1.658 177.270 175.800 -0.314 0.000 1.106 90 F CA -0.052 57.722 58.000 -0.377 0.000 1.170 90 F CB 0.083 38.580 39.000 -0.837 0.000 1.113 90 F HN 0.849 nan 8.300 nan 0.000 0.521 91 G N 2.950 111.733 108.800 -0.028 0.000 2.686 91 G HA2 -0.391 3.570 3.960 0.002 0.000 0.329 91 G HA3 -0.391 3.570 3.960 0.002 0.000 0.329 91 G C 1.055 175.934 174.900 -0.035 0.000 1.187 91 G CA 0.984 46.073 45.100 -0.018 0.000 0.965 91 G HN 0.562 nan 8.290 nan 0.000 0.549 92 T N 0.998 115.536 114.554 -0.028 0.000 3.018 92 T HA 0.272 4.623 4.350 0.002 0.000 0.246 92 T C 1.059 175.742 174.700 -0.028 0.000 1.026 92 T CA 1.147 63.233 62.100 -0.023 0.000 1.081 92 T CB 0.106 68.972 68.868 -0.004 0.000 0.970 92 T HN 0.634 nan 8.240 nan 0.000 0.475 93 Q N 2.326 122.103 119.800 -0.038 0.000 2.349 93 Q HA 0.180 4.521 4.340 0.002 0.000 0.287 93 Q C -0.859 175.134 176.000 -0.012 0.000 1.044 93 Q CA 0.266 56.054 55.803 -0.024 0.000 0.918 93 Q CB 0.511 29.209 28.738 -0.066 0.000 1.242 93 Q HN 0.177 nan 8.270 nan 0.000 0.405 94 V N 6.054 125.981 119.914 0.023 0.000 2.398 94 V HA 0.507 4.628 4.120 0.002 0.000 0.282 94 V C -1.251 174.873 176.094 0.050 0.000 1.014 94 V CA -0.580 61.728 62.300 0.012 0.000 0.838 94 V CB 1.627 33.444 31.823 -0.011 0.000 1.018 94 V HN 0.620 nan 8.190 nan 0.000 0.432 95 V N 6.785 126.750 119.914 0.086 0.000 2.612 95 V HA 0.753 4.874 4.120 0.002 0.000 0.301 95 V C -0.149 175.970 176.094 0.041 0.000 1.046 95 V CA -0.335 62.026 62.300 0.102 0.000 0.946 95 V CB 1.873 33.822 31.823 0.209 0.000 1.003 95 V HN 1.037 nan 8.190 nan 0.000 0.459 96 E N 2.446 122.664 120.200 0.031 0.000 2.407 96 E HA 0.798 5.149 4.350 0.002 0.000 0.279 96 E C -1.405 175.197 176.600 0.003 0.000 1.012 96 E CA -1.234 55.173 56.400 0.011 0.000 0.800 96 E CB 2.572 32.283 29.700 0.018 0.000 1.276 96 E HN 0.416 nan 8.360 nan 0.000 0.452 97 K N 0.618 121.011 120.400 -0.011 0.000 2.508 97 K HA 0.495 4.816 4.320 0.002 0.000 0.260 97 K C -1.998 174.568 176.600 -0.055 0.000 0.949 97 K CA -0.852 55.417 56.287 -0.029 0.000 0.834 97 K CB 2.561 35.046 32.500 -0.025 0.000 1.365 97 K HN 0.410 nan 8.250 nan 0.000 0.437 98 V N 3.854 123.699 119.914 -0.115 0.000 2.275 98 V HA 0.398 4.519 4.120 0.002 0.000 0.272 98 V C -0.451 175.528 176.094 -0.191 0.000 1.028 98 V CA -0.760 61.401 62.300 -0.232 0.000 0.810 98 V CB 0.837 32.391 31.823 -0.448 0.000 1.043 98 V HN 0.545 nan 8.190 nan 0.000 0.453 99 V N 4.770 124.658 119.914 -0.044 0.000 3.096 99 V HA 0.528 4.649 4.120 0.002 0.000 0.319 99 V C -0.059 176.230 176.094 0.325 0.000 1.082 99 V CA -0.960 61.391 62.300 0.085 0.000 1.022 99 V CB 2.098 33.966 31.823 0.075 0.000 1.103 99 V HN 0.628 nan 8.190 nan 0.000 0.455 100 L N 1.879 123.284 121.223 0.304 0.000 2.334 100 L HA 0.659 5.000 4.340 0.002 0.000 0.277 100 L C -0.376 176.488 176.870 -0.010 0.000 1.075 100 L CA 0.457 55.385 54.840 0.147 0.000 0.804 100 L CB 1.395 43.517 42.059 0.105 0.000 1.174 100 L HN 0.443 nan 8.230 nan 0.000 0.438 101 V N 3.355 123.191 119.914 -0.129 0.000 2.864 101 V HA 0.675 4.796 4.120 0.002 0.000 0.314 101 V C -0.387 175.639 176.094 -0.113 0.000 1.073 101 V CA -0.583 61.668 62.300 -0.081 0.000 0.956 101 V CB 2.059 33.859 31.823 -0.039 0.000 1.023 101 V HN 0.870 nan 8.190 nan 0.000 0.435 102 S N 1.774 117.430 115.700 -0.074 0.000 2.536 102 S HA 0.572 5.043 4.470 0.002 0.000 0.298 102 S C 0.521 175.103 174.600 -0.030 0.000 1.083 102 S CA -0.705 57.459 58.200 -0.060 0.000 0.995 102 S CB 1.449 64.620 63.200 -0.048 0.000 1.058 102 S HN 0.598 nan 8.310 nan 0.000 0.488 103 L N 2.504 123.719 121.223 -0.014 0.000 2.395 103 L HA 0.119 4.460 4.340 0.002 0.000 0.218 103 L C 1.044 177.947 176.870 0.056 0.000 1.130 103 L CA 0.462 55.309 54.840 0.011 0.000 0.826 103 L CB -0.322 41.742 42.059 0.008 0.000 0.941 103 L HN 0.699 nan 8.230 nan 0.000 0.451 104 Q N 0.623 120.470 119.800 0.077 0.000 2.388 104 Q HA -0.070 4.271 4.340 0.002 0.000 0.302 104 Q C 1.134 177.268 176.000 0.223 0.000 1.149 104 Q CA -0.156 55.749 55.803 0.170 0.000 1.014 104 Q CB 0.659 29.514 28.738 0.195 0.000 1.072 104 Q HN 0.294 nan 8.270 nan 0.000 0.395 105 S N 1.609 117.429 115.700 0.199 0.000 2.335 105 S HA 0.003 4.474 4.470 0.002 0.000 0.216 105 S C 0.883 175.532 174.600 0.083 0.000 1.032 105 S CA 0.817 59.055 58.200 0.064 0.000 1.000 105 S CB 0.099 63.184 63.200 -0.193 0.000 0.928 105 S HN 0.861 nan 8.310 nan 0.000 0.434 106 G N -0.863 107.929 108.800 -0.013 0.000 2.929 106 G HA2 0.519 4.480 3.960 0.002 0.000 0.123 106 G HA3 0.519 4.480 3.960 0.002 0.000 0.123 106 G C -1.741 172.813 174.900 -0.577 0.000 1.212 106 G CA -0.610 44.112 45.100 -0.630 0.000 1.238 106 G HN 0.220 nan 8.290 nan 0.000 0.617 107 Y N -0.571 119.669 120.300 -0.101 0.000 2.630 107 Y HA 0.860 5.411 4.550 0.002 0.000 0.337 107 Y C 0.015 175.389 175.900 -0.876 0.000 1.051 107 Y CA -1.125 56.718 58.100 -0.429 0.000 1.121 107 Y CB 2.022 40.297 38.460 -0.307 0.000 1.299 107 Y HN 0.319 nan 8.280 nan 0.000 0.498 108 L N 1.938 122.238 121.223 -1.538 0.000 2.464 108 L HA 0.538 4.879 4.340 0.002 0.000 0.266 108 L C -1.725 174.536 176.870 -1.015 0.000 0.965 108 L CA -0.506 53.617 54.840 -1.196 0.000 0.833 108 L CB 1.965 43.167 42.059 -1.428 0.000 1.296 108 L HN 0.479 nan 8.230 nan 0.000 0.405 109 F N 2.978 122.879 119.950 -0.081 0.000 2.551 109 F HA 0.677 5.205 4.527 0.002 0.000 0.316 109 F C -0.092 175.807 175.800 0.164 0.000 1.089 109 F CA -0.718 57.330 58.000 0.080 0.000 0.915 109 F CB 1.940 40.997 39.000 0.094 0.000 1.186 109 F HN 0.115 nan 8.300 nan 0.000 0.456 110 I N 1.651 122.416 120.570 0.324 0.000 2.569 110 I HA 0.473 4.644 4.170 0.002 0.000 0.296 110 I C -0.869 175.417 176.117 0.282 0.000 1.028 110 I CA -0.755 60.694 61.300 0.248 0.000 1.082 110 I CB 2.096 40.205 38.000 0.182 0.000 1.264 110 I HN 0.559 nan 8.210 nan 0.000 0.429 111 Q N 3.902 123.853 119.800 0.252 0.000 2.323 111 Q HA 0.579 4.920 4.340 0.002 0.000 0.271 111 Q C -1.397 174.725 176.000 0.203 0.000 1.048 111 Q CA -0.636 55.319 55.803 0.252 0.000 0.792 111 Q CB 2.438 31.382 28.738 0.342 0.000 1.280 111 Q HN 0.834 nan 8.270 nan 0.000 0.441 112 T N -0.343 114.326 114.554 0.192 0.000 2.885 112 T HA 0.249 4.600 4.350 0.002 0.000 0.285 112 T C 0.745 175.562 174.700 0.194 0.000 1.019 112 T CA -0.558 61.652 62.100 0.182 0.000 1.010 112 T CB 1.233 70.201 68.868 0.166 0.000 1.022 112 T HN 0.667 nan 8.240 nan 0.000 0.466 113 D N 1.990 122.518 120.400 0.213 0.000 2.097 113 D HA -0.095 4.546 4.640 0.002 0.000 0.195 113 D C 0.474 176.806 176.300 0.054 0.000 0.989 113 D CA 1.209 55.295 54.000 0.145 0.000 0.827 113 D CB 0.042 40.925 40.800 0.139 0.000 0.966 113 D HN 0.631 nan 8.370 nan 0.000 0.456 114 K N -0.680 119.692 120.400 -0.047 0.000 2.280 114 K HA 0.405 4.726 4.320 0.002 0.000 0.234 114 K C 0.897 177.328 176.600 -0.281 0.000 1.028 114 K CA -0.311 55.749 56.287 -0.379 0.000 0.882 114 K CB 1.312 33.354 32.500 -0.763 0.000 1.194 114 K HN -0.018 nan 8.250 nan 0.000 0.458 115 T N -1.973 112.399 114.554 -0.304 0.000 3.060 115 T HA 0.266 4.617 4.350 0.002 0.000 0.249 115 T C 0.612 175.270 174.700 -0.070 0.000 1.079 115 T CA -0.070 61.986 62.100 -0.075 0.000 1.013 115 T CB -0.218 68.621 68.868 -0.049 0.000 0.975 115 T HN 0.537 nan 8.240 nan 0.000 0.518 116 I N -0.010 120.351 120.570 -0.348 0.000 2.731 116 I HA 0.500 4.671 4.170 0.002 0.000 0.289 116 I C -2.134 173.753 176.117 -0.383 0.000 1.399 116 I CA -1.230 59.954 61.300 -0.194 0.000 1.048 116 I CB 1.650 39.495 38.000 -0.257 0.000 1.345 116 I HN 0.024 nan 8.210 nan 0.000 0.425 117 Y N 3.528 123.948 120.300 0.201 0.000 2.602 117 Y HA 0.663 5.214 4.550 0.002 0.000 0.342 117 Y C 0.281 176.292 175.900 0.184 0.000 1.029 117 Y CA -0.717 57.495 58.100 0.187 0.000 1.080 117 Y CB 2.227 40.713 38.460 0.043 0.000 1.284 117 Y HN 0.544 nan 8.280 nan 0.000 0.485 118 T N -0.512 114.113 114.554 0.118 0.000 2.929 118 T HA 0.445 4.796 4.350 0.002 0.000 0.284 118 T C -2.940 171.724 174.700 -0.061 0.000 1.014 118 T CA -2.704 59.319 62.100 -0.128 0.000 1.051 118 T CB 1.494 70.108 68.868 -0.423 0.000 1.028 118 T HN 0.254 nan 8.240 nan 0.000 0.485 119 P HA 0.163 nan 4.420 nan 0.000 0.258 119 P C 1.019 178.261 177.300 -0.096 0.000 1.172 119 P CA 1.053 64.111 63.100 -0.070 0.000 0.762 119 P CB -0.007 31.668 31.700 -0.041 0.000 0.764 120 G N 2.356 111.080 108.800 -0.127 0.000 2.176 120 G HA2 -0.200 3.762 3.960 0.002 0.000 0.232 120 G HA3 -0.200 3.762 3.960 0.002 0.000 0.232 120 G C 0.083 174.911 174.900 -0.120 0.000 0.986 120 G CA 0.152 45.173 45.100 -0.131 0.000 0.643 120 G HN 0.825 nan 8.290 nan 0.000 0.522 121 S N 0.488 116.130 115.700 -0.096 0.000 2.429 121 S HA 0.686 5.157 4.470 0.002 0.000 0.302 121 S C 0.124 174.670 174.600 -0.091 0.000 1.115 121 S CA 0.170 58.345 58.200 -0.042 0.000 1.095 121 S CB 2.002 65.234 63.200 0.053 0.000 0.987 121 S HN 0.462 nan 8.310 nan 0.000 0.474 122 T N 3.024 117.513 114.554 -0.108 0.000 2.930 122 T HA 0.289 4.640 4.350 0.002 0.000 0.306 122 T C -0.048 174.517 174.700 -0.225 0.000 1.045 122 T CA -0.238 61.757 62.100 -0.175 0.000 1.134 122 T CB 0.438 69.238 68.868 -0.115 0.000 0.961 122 T HN 0.600 nan 8.240 nan 0.000 0.545 123 V N 5.252 124.934 119.914 -0.386 0.000 2.347 123 V HA 0.322 4.443 4.120 0.002 0.000 0.280 123 V C 0.226 176.223 176.094 -0.161 0.000 1.021 123 V CA -0.797 61.100 62.300 -0.672 0.000 0.847 123 V CB 0.951 31.995 31.823 -1.297 0.000 0.990 123 V HN 0.672 nan 8.190 nan 0.000 0.444 124 L N 6.621 127.831 121.223 -0.020 0.000 2.349 124 L HA 0.560 4.901 4.340 0.002 0.000 0.275 124 L C -0.494 176.481 176.870 0.177 0.000 1.115 124 L CA -0.335 54.552 54.840 0.078 0.000 0.820 124 L CB 0.476 42.565 42.059 0.050 0.000 1.135 124 L HN 0.808 nan 8.230 nan 0.000 0.445 125 Y N 0.778 121.024 120.300 -0.090 0.000 2.513 125 Y HA 0.670 5.221 4.550 0.002 0.000 0.340 125 Y C -0.953 174.875 175.900 -0.120 0.000 1.055 125 Y CA -1.362 56.685 58.100 -0.088 0.000 1.020 125 Y CB 1.436 39.836 38.460 -0.101 0.000 1.301 125 Y HN 0.423 nan 8.280 nan 0.000 0.453 126 R N 2.978 123.412 120.500 -0.111 0.000 2.589 126 R HA 0.640 4.981 4.340 0.002 0.000 0.293 126 R C -1.652 174.445 176.300 -0.338 0.000 0.963 126 R CA -1.071 54.808 56.100 -0.368 0.000 0.905 126 R CB 2.500 32.461 30.300 -0.566 0.000 1.144 126 R HN 0.713 nan 8.270 nan 0.000 0.459 127 I N 3.372 123.718 120.570 -0.373 0.000 2.354 127 I HA 0.230 4.402 4.170 0.002 0.000 0.286 127 I C -0.721 175.223 176.117 -0.288 0.000 1.007 127 I CA -0.209 60.960 61.300 -0.218 0.000 1.167 127 I CB 0.660 38.582 38.000 -0.129 0.000 1.320 127 I HN 0.371 nan 8.210 nan 0.000 0.458 128 F N 4.143 124.123 119.950 0.050 0.000 2.410 128 F HA 0.422 4.950 4.527 0.002 0.000 0.348 128 F C 0.966 176.812 175.800 0.077 0.000 1.106 128 F CA -0.554 57.489 58.000 0.072 0.000 1.163 128 F CB 1.087 40.147 39.000 0.100 0.000 1.129 128 F HN 0.358 nan 8.300 nan 0.000 0.516 129 T N 1.763 116.445 114.554 0.213 0.000 2.786 129 T HA 0.751 5.102 4.350 0.002 0.000 0.283 129 T C -0.767 174.074 174.700 0.235 0.000 0.992 129 T CA -0.676 61.535 62.100 0.183 0.000 0.954 129 T CB 0.827 69.804 68.868 0.181 0.000 0.934 129 T HN 0.658 nan 8.240 nan 0.000 0.440 130 V N 1.115 121.189 119.914 0.266 0.000 3.147 130 V HA 0.759 4.880 4.120 0.002 0.000 0.306 130 V C -0.499 175.670 176.094 0.124 0.000 1.209 130 V CA -1.461 60.961 62.300 0.204 0.000 1.023 130 V CB 1.740 33.706 31.823 0.238 0.000 1.059 130 V HN 1.048 nan 8.190 nan 0.000 0.435 131 N N 0.505 119.236 118.700 0.052 0.000 2.322 131 N HA 0.216 4.958 4.740 0.002 0.000 0.270 131 N C 0.786 176.262 175.510 -0.057 0.000 1.286 131 N CA 0.054 53.089 53.050 -0.024 0.000 0.948 131 N CB -0.361 38.137 38.487 0.018 0.000 1.164 131 N HN 0.820 nan 8.380 nan 0.000 0.551 132 H N -1.000 118.016 119.070 -0.090 0.000 2.561 132 H HA 0.061 4.618 4.556 0.002 0.000 0.278 132 H C 0.237 175.648 175.328 0.138 0.000 1.014 132 H CA 0.795 56.798 56.048 -0.076 0.000 1.211 132 H CB 0.386 30.090 29.762 -0.096 0.000 1.365 132 H HN 0.543 nan 8.280 nan 0.000 0.594 133 K N 0.634 121.152 120.400 0.198 0.000 2.387 133 K HA 0.135 4.456 4.320 0.002 0.000 0.198 133 K C 0.596 177.317 176.600 0.201 0.000 1.022 133 K CA -0.092 56.304 56.287 0.181 0.000 1.128 133 K CB 0.836 33.400 32.500 0.106 0.000 0.853 133 K HN 0.083 nan 8.250 nan 0.000 0.523 134 L N 0.659 122.030 121.223 0.247 0.000 4.232 134 L HA -0.251 4.090 4.340 0.002 0.000 0.415 134 L C -0.428 176.521 176.870 0.131 0.000 1.168 134 L CA 0.312 55.284 54.840 0.221 0.000 0.966 134 L CB -1.629 40.534 42.059 0.174 0.000 2.052 134 L HN 0.264 nan 8.230 nan 0.000 0.887 135 L N 1.569 122.861 121.223 0.115 0.000 2.357 135 L HA 0.435 4.776 4.340 0.002 0.000 0.273 135 L C -1.598 175.321 176.870 0.081 0.000 1.080 135 L CA -1.744 53.143 54.840 0.079 0.000 0.803 135 L CB 0.875 42.971 42.059 0.061 0.000 1.174 135 L HN -0.206 nan 8.230 nan 0.000 0.443 136 P HA 0.065 nan 4.420 nan 0.000 0.271 136 P C -0.632 176.702 177.300 0.056 0.000 1.233 136 P CA 0.186 63.333 63.100 0.078 0.000 0.764 136 P CB 1.635 33.375 31.700 0.067 0.000 0.825 137 V N 3.493 123.442 119.914 0.057 0.000 3.166 137 V HA 0.832 4.953 4.120 0.002 0.000 0.317 137 V C 0.189 176.298 176.094 0.025 0.000 1.136 137 V CA -0.715 61.597 62.300 0.019 0.000 1.035 137 V CB 2.247 34.055 31.823 -0.024 0.000 1.110 137 V HN 0.678 nan 8.190 nan 0.000 0.450 138 G N 3.116 111.914 108.800 -0.003 0.000 2.728 138 G HA2 0.662 4.623 3.960 0.002 0.000 0.296 138 G HA3 0.662 4.623 3.960 0.002 0.000 0.296 138 G C -0.646 174.245 174.900 -0.016 0.000 1.401 138 G CA -0.551 44.553 45.100 0.007 0.000 1.007 138 G HN 0.565 nan 8.290 nan 0.000 0.527 139 R N 0.943 121.446 120.500 0.004 0.000 3.150 139 R HA 0.664 5.005 4.340 0.002 0.000 0.236 139 R C -0.684 175.658 176.300 0.069 0.000 1.469 139 R CA -0.727 55.368 56.100 -0.008 0.000 1.045 139 R CB 0.671 30.887 30.300 -0.140 0.000 1.481 139 R HN 0.379 nan 8.270 nan 0.000 0.506 140 T N 1.177 115.788 114.554 0.094 0.000 2.824 140 T HA 0.488 4.839 4.350 0.002 0.000 0.280 140 T C -0.490 174.300 174.700 0.150 0.000 0.995 140 T CA -0.495 61.662 62.100 0.095 0.000 1.009 140 T CB 1.599 70.507 68.868 0.067 0.000 0.955 140 T HN 0.134 nan 8.240 nan 0.000 0.452 141 V N 4.595 124.551 119.914 0.070 0.000 2.735 141 V HA 0.565 4.686 4.120 0.002 0.000 0.310 141 V C -0.371 175.658 176.094 -0.109 0.000 1.061 141 V CA -1.002 61.294 62.300 -0.007 0.000 0.913 141 V CB 2.039 33.821 31.823 -0.068 0.000 1.005 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 3.825 123.253 119.600 -0.285 0.000 2.404 142 M HA 0.691 5.172 4.480 0.002 0.000 0.338 142 M C -1.046 175.007 176.300 -0.411 0.000 1.150 142 M CA -0.753 54.321 55.300 -0.378 0.000 1.016 142 M CB 1.715 33.960 32.600 -0.592 0.000 1.672 142 M HN 0.322 nan 8.290 nan 0.000 0.448 143 V N 3.065 122.840 119.914 -0.231 0.000 2.524 143 V HA 0.393 4.514 4.120 0.002 0.000 0.297 143 V C -0.332 175.697 176.094 -0.107 0.000 1.035 143 V CA -0.873 61.340 62.300 -0.146 0.000 0.867 143 V CB 1.936 33.749 31.823 -0.016 0.000 1.004 143 V HN 0.841 nan 8.190 nan 0.000 0.426 144 N N 4.183 122.813 118.700 -0.116 0.000 2.466 144 N HA 0.644 5.385 4.740 0.002 0.000 0.294 144 N C -1.034 174.385 175.510 -0.152 0.000 1.129 144 N CA -0.596 52.391 53.050 -0.105 0.000 0.931 144 N CB 2.665 41.112 38.487 -0.067 0.000 1.193 144 N HN 0.518 nan 8.380 nan 0.000 0.500 145 I N 1.590 122.030 120.570 -0.216 0.000 2.502 145 I HA 0.196 4.368 4.170 0.002 0.000 0.276 145 I C -0.145 175.828 176.117 -0.240 0.000 1.057 145 I CA -0.391 60.725 61.300 -0.307 0.000 1.163 145 I CB 0.915 38.511 38.000 -0.673 0.000 1.288 145 I HN 0.273 nan 8.210 nan 0.000 0.479 146 E N 4.915 125.010 120.200 -0.176 0.000 2.338 146 E HA 0.105 4.456 4.350 0.002 0.000 0.272 146 E C -0.129 176.257 176.600 -0.357 0.000 1.029 146 E CA -0.475 55.797 56.400 -0.214 0.000 0.872 146 E CB 1.039 30.635 29.700 -0.173 0.000 1.015 146 E HN 0.525 nan 8.360 nan 0.000 0.417 147 N N 3.079 121.436 118.700 -0.571 0.000 2.364 147 N HA 0.113 4.854 4.740 0.002 0.000 0.264 147 N C -2.251 172.722 175.510 -0.895 0.000 1.263 147 N CA -1.770 50.539 53.050 -1.236 0.000 0.959 147 N CB -0.020 37.806 38.487 -1.102 0.000 1.204 147 N HN 0.036 nan 8.380 nan 0.000 0.550 148 P HA 0.036 nan 4.420 nan 0.000 0.242 148 P C -0.180 176.937 177.300 -0.306 0.000 1.197 148 P CA 0.928 63.716 63.100 -0.519 0.000 0.765 148 P CB -0.085 31.389 31.700 -0.377 0.000 0.936 149 E N -1.344 118.673 120.200 -0.305 0.000 2.499 149 E HA 0.347 4.698 4.350 0.002 0.000 0.199 149 E C 0.963 177.458 176.600 -0.175 0.000 1.016 149 E CA 0.159 56.444 56.400 -0.192 0.000 0.933 149 E CB -0.409 29.197 29.700 -0.158 0.000 1.050 149 E HN 0.070 nan 8.360 nan 0.000 0.462 150 G N 1.814 110.487 108.800 -0.212 0.000 2.179 150 G HA2 -0.227 3.734 3.960 0.002 0.000 0.260 150 G HA3 -0.227 3.734 3.960 0.002 0.000 0.260 150 G C 0.184 174.994 174.900 -0.149 0.000 0.977 150 G CA -0.023 44.979 45.100 -0.162 0.000 0.641 150 G HN 0.304 nan 8.290 nan 0.000 0.533 151 I N 1.637 122.102 120.570 -0.176 0.000 2.297 151 I HA 0.275 4.447 4.170 0.002 0.000 0.291 151 I C -2.070 173.967 176.117 -0.133 0.000 1.033 151 I CA -2.946 58.275 61.300 -0.131 0.000 1.253 151 I CB 0.487 38.420 38.000 -0.112 0.000 1.396 151 I HN -0.179 nan 8.210 nan 0.000 0.476 152 P HA -0.091 nan 4.420 nan 0.000 0.255 152 P C 1.075 178.336 177.300 -0.065 0.000 1.161 152 P CA 0.464 63.512 63.100 -0.086 0.000 0.768 152 P CB 0.343 32.015 31.700 -0.047 0.000 0.746 153 V N 1.149 121.018 119.914 -0.076 0.000 3.621 153 V HA 0.330 4.451 4.120 0.002 0.000 0.285 153 V C 0.452 176.580 176.094 0.057 0.000 1.346 153 V CA 0.568 62.881 62.300 0.021 0.000 1.104 153 V CB -0.536 31.361 31.823 0.124 0.000 0.913 153 V HN 0.444 nan 8.190 nan 0.000 0.432 154 K N 1.407 121.783 120.400 -0.041 0.000 2.622 154 K HA 0.344 4.666 4.320 0.002 0.000 0.263 154 K C -2.000 174.568 176.600 -0.053 0.000 0.947 154 K CA -0.350 55.933 56.287 -0.007 0.000 0.885 154 K CB 1.825 34.355 32.500 0.049 0.000 1.362 154 K HN 0.478 nan 8.250 nan 0.000 0.413 155 Q N 2.701 122.497 119.800 -0.006 0.000 2.389 155 Q HA 0.535 4.876 4.340 0.002 0.000 0.277 155 Q C -1.391 174.614 176.000 0.008 0.000 1.082 155 Q CA -0.895 54.897 55.803 -0.017 0.000 0.810 155 Q CB 2.787 31.512 28.738 -0.022 0.000 1.374 155 Q HN 0.519 nan 8.270 nan 0.000 0.422 156 D N 0.534 120.933 120.400 -0.003 0.000 2.531 156 D HA 0.499 5.140 4.640 0.002 0.000 0.244 156 D C -1.067 175.218 176.300 -0.026 0.000 1.090 156 D CA -0.594 53.406 54.000 0.001 0.000 0.989 156 D CB 2.053 42.860 40.800 0.013 0.000 1.433 156 D HN 0.406 nan 8.370 nan 0.000 0.492 157 S N 0.336 116.026 115.700 -0.017 0.000 2.659 157 S HA 0.597 5.069 4.470 0.002 0.000 0.312 157 S C -1.469 173.121 174.600 -0.017 0.000 1.114 157 S CA -0.545 57.642 58.200 -0.022 0.000 1.063 157 S CB 0.405 63.604 63.200 -0.002 0.000 0.996 157 S HN 0.277 nan 8.310 nan 0.000 0.478 158 L N 3.259 124.467 121.223 -0.025 0.000 2.370 158 L HA 0.698 5.040 4.340 0.002 0.000 0.266 158 L C -0.189 176.677 176.870 -0.007 0.000 1.002 158 L CA -0.171 54.655 54.840 -0.024 0.000 0.818 158 L CB 2.154 44.185 42.059 -0.047 0.000 1.325 158 L HN 0.594 nan 8.230 nan 0.000 0.418 159 S N 0.185 115.883 115.700 -0.004 0.000 2.475 159 S HA 0.467 4.938 4.470 0.002 0.000 0.298 159 S C 0.314 174.916 174.600 0.003 0.000 1.119 159 S CA -0.111 58.094 58.200 0.009 0.000 1.085 159 S CB 0.968 64.173 63.200 0.008 0.000 1.028 159 S HN 0.691 nan 8.310 nan 0.000 0.489 160 S N 3.693 119.404 115.700 0.018 0.000 2.526 160 S HA 0.294 4.765 4.470 0.002 0.000 0.247 160 S C -0.090 174.517 174.600 0.011 0.000 1.076 160 S CA -0.463 57.745 58.200 0.012 0.000 1.105 160 S CB -0.088 63.135 63.200 0.039 0.000 0.793 160 S HN 0.670 nan 8.310 nan 0.000 0.458 161 Q N 2.267 122.069 119.800 0.005 0.000 2.279 161 Q HA 0.403 4.744 4.340 0.002 0.000 0.256 161 Q C 0.340 176.340 176.000 0.000 0.000 0.937 161 Q CA 0.317 56.123 55.803 0.003 0.000 0.933 161 Q CB 0.383 29.122 28.738 0.001 0.000 1.189 161 Q HN 0.574 nan 8.270 nan 0.000 0.417 162 N N 1.865 120.566 118.700 0.003 0.000 2.936 162 N HA -0.251 4.490 4.740 0.002 0.000 0.236 162 N C 0.158 175.667 175.510 -0.002 0.000 0.930 162 N CA 0.974 54.024 53.050 0.000 0.000 0.966 162 N CB -0.818 37.667 38.487 -0.002 0.000 1.090 162 N HN 0.551 nan 8.380 nan 0.000 0.592 163 Q N 0.750 120.549 119.800 -0.002 0.000 2.322 163 Q HA 0.387 4.728 4.340 0.002 0.000 0.203 163 Q C 0.537 176.539 176.000 0.003 0.000 0.923 163 Q CA -0.198 55.600 55.803 -0.008 0.000 0.949 163 Q CB -0.085 28.641 28.738 -0.020 0.000 1.039 163 Q HN 0.400 nan 8.270 nan 0.000 0.496 164 L N -0.831 120.400 121.223 0.013 0.000 3.976 164 L HA -0.277 4.064 4.340 0.002 0.000 0.418 164 L C 0.702 177.602 176.870 0.050 0.000 1.177 164 L CA 1.383 56.238 54.840 0.026 0.000 0.968 164 L CB -1.430 40.641 42.059 0.020 0.000 1.933 164 L HN 0.463 nan 8.230 nan 0.000 0.976 165 G N -2.153 106.676 108.800 0.049 0.000 2.136 165 G HA2 -0.191 3.770 3.960 0.002 0.000 0.242 165 G HA3 -0.191 3.770 3.960 0.002 0.000 0.242 165 G C 0.110 175.053 174.900 0.073 0.000 0.989 165 G CA 0.112 45.260 45.100 0.081 0.000 0.682 165 G HN 1.118 nan 8.290 nan 0.000 0.522 166 V N 0.925 120.841 119.914 0.003 0.000 2.409 166 V HA 0.577 4.698 4.120 0.002 0.000 0.290 166 V C 0.228 176.228 176.094 -0.158 0.000 1.017 166 V CA -0.719 61.517 62.300 -0.107 0.000 0.841 166 V CB 1.695 33.487 31.823 -0.052 0.000 1.003 166 V HN 0.285 nan 8.190 nan 0.000 0.426 167 L N 7.160 128.244 121.223 -0.231 0.000 2.283 167 L HA 0.462 4.803 4.340 0.002 0.000 0.281 167 L C -2.416 174.281 176.870 -0.289 0.000 1.033 167 L CA -1.525 53.187 54.840 -0.212 0.000 0.848 167 L CB 1.392 43.344 42.059 -0.178 0.000 1.226 167 L HN 0.381 nan 8.230 nan 0.000 0.429 168 P HA 0.379 nan 4.420 nan 0.000 0.270 168 P C -0.685 176.406 177.300 -0.348 0.000 1.223 168 P CA -0.065 62.873 63.100 -0.270 0.000 0.785 168 P CB 0.957 32.551 31.700 -0.176 0.000 0.923 169 L N 0.189 121.133 121.223 -0.465 0.000 2.869 169 L HA 0.492 4.833 4.340 0.002 0.000 0.265 169 L C -0.720 175.846 176.870 -0.506 0.000 1.011 169 L CA -0.300 54.160 54.840 -0.633 0.000 0.913 169 L CB 2.030 43.345 42.059 -1.241 0.000 1.490 169 L HN 0.515 nan 8.230 nan 0.000 0.410 170 S N -0.619 114.971 115.700 -0.184 0.000 2.671 170 S HA 0.827 5.299 4.470 0.002 0.000 0.277 170 S C -2.154 172.689 174.600 0.406 0.000 1.165 170 S CA -0.708 57.574 58.200 0.136 0.000 0.822 170 S CB 2.382 65.598 63.200 0.027 0.000 1.150 170 S HN 0.676 nan 8.310 nan 0.000 0.479 171 W N 1.305 122.645 121.300 0.067 0.000 3.544 171 W HA 0.445 5.106 4.660 0.002 0.000 0.326 171 W C -2.238 174.229 176.519 -0.086 0.000 1.137 171 W CA -0.441 56.906 57.345 0.004 0.000 1.252 171 W CB 1.288 30.732 29.460 -0.027 0.000 1.302 171 W HN 0.698 nan 8.180 nan 0.000 0.467 172 D N 6.523 126.561 120.400 -0.604 0.000 2.365 172 D HA 0.228 4.869 4.640 0.002 0.000 0.237 172 D C 0.530 176.184 176.300 -1.077 0.000 1.190 172 D CA 0.166 53.791 54.000 -0.625 0.000 0.867 172 D CB 1.031 41.601 40.800 -0.384 0.000 1.050 172 D HN 0.342 nan 8.370 nan 0.000 0.491 173 I N 4.117 124.139 120.570 -0.914 0.000 2.662 173 I HA -0.011 4.160 4.170 0.002 0.000 0.285 173 I C -1.817 174.000 176.117 -0.499 0.000 1.161 173 I CA -1.264 59.508 61.300 -0.880 0.000 1.415 173 I CB 0.117 37.850 38.000 -0.446 0.000 1.385 173 I HN 0.000 nan 8.210 nan 0.000 0.552 174 P HA -0.002 nan 4.420 nan 0.000 0.270 174 P C 0.548 177.786 177.300 -0.103 0.000 1.227 174 P CA -0.203 62.791 63.100 -0.176 0.000 0.788 174 P CB 0.668 32.341 31.700 -0.044 0.000 0.926 175 E N 0.231 120.390 120.200 -0.068 0.000 2.047 175 E HA -0.078 4.273 4.350 0.002 0.000 0.191 175 E C 0.713 177.306 176.600 -0.012 0.000 0.987 175 E CA 1.230 57.601 56.400 -0.048 0.000 0.799 175 E CB -0.421 29.254 29.700 -0.043 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.449 176 L N -1.080 120.149 121.223 0.011 0.000 2.295 176 L HA 0.674 5.015 4.340 0.002 0.000 0.285 176 L C -0.212 176.708 176.870 0.084 0.000 1.035 176 L CA -0.671 54.192 54.840 0.039 0.000 0.806 176 L CB 1.888 43.966 42.059 0.032 0.000 1.214 176 L HN -0.250 nan 8.230 nan 0.000 0.426 177 V N 1.859 121.848 119.914 0.124 0.000 3.234 177 V HA 0.370 4.491 4.120 0.002 0.000 0.280 177 V C -1.381 174.861 176.094 0.246 0.000 1.580 177 V CA -0.732 61.701 62.300 0.222 0.000 1.032 177 V CB 2.541 34.579 31.823 0.359 0.000 1.203 177 V HN 0.979 nan 8.190 nan 0.000 0.459 178 N N 3.695 122.551 118.700 0.260 0.000 2.458 178 N HA 0.250 4.992 4.740 0.002 0.000 0.258 178 N C 0.087 175.810 175.510 0.356 0.000 1.219 178 N CA 0.082 53.257 53.050 0.208 0.000 0.902 178 N CB 0.578 39.107 38.487 0.070 0.000 1.076 178 N HN 0.638 nan 8.380 nan 0.000 0.455 179 M N 0.775 120.523 119.600 0.246 0.000 1.703 179 M HA 0.280 4.761 4.480 0.002 0.000 0.141 179 M C 0.982 177.488 176.300 0.343 0.000 1.136 179 M CA 0.526 55.998 55.300 0.285 0.000 0.771 179 M CB -0.221 32.480 32.600 0.168 0.000 0.942 179 M HN 0.793 nan 8.290 nan 0.000 0.416 180 G N 0.565 109.519 108.800 0.257 0.000 3.402 180 G HA2 -0.078 3.883 3.960 0.002 0.000 0.686 180 G HA3 -0.078 3.883 3.960 0.002 0.000 0.686 180 G C -1.044 174.031 174.900 0.293 0.000 0.983 180 G CA -0.957 44.261 45.100 0.196 0.000 0.821 180 G HN 0.672 nan 8.290 nan 0.000 0.500 181 Q N -0.203 119.698 119.800 0.169 0.000 3.089 181 Q HA 0.081 4.422 4.340 0.002 0.000 0.398 181 Q C 0.642 176.753 176.000 0.185 0.000 1.125 181 Q CA 1.645 57.524 55.803 0.126 0.000 1.180 181 Q CB 0.289 29.054 28.738 0.046 0.000 1.134 181 Q HN 0.624 nan 8.270 nan 0.000 0.478 182 W N 1.923 122.955 121.300 -0.448 0.000 2.537 182 W HA 0.658 5.319 4.660 0.002 0.000 0.591 182 W C -0.135 176.090 176.519 -0.490 0.000 1.460 182 W CA -0.535 56.489 57.345 -0.535 0.000 1.308 182 W CB 0.440 29.382 29.460 -0.864 0.000 3.071 182 W HN 0.460 nan 8.180 nan 0.000 0.738 183 K N 0.373 120.673 120.400 -0.166 0.000 2.572 183 K HA 0.443 4.765 4.320 0.002 0.000 0.263 183 K C -1.955 174.634 176.600 -0.018 0.000 0.932 183 K CA -0.470 55.767 56.287 -0.083 0.000 0.838 183 K CB 1.432 33.890 32.500 -0.070 0.000 1.366 183 K HN 0.424 nan 8.250 nan 0.000 0.425 184 I N 4.289 124.889 120.570 0.050 0.000 2.382 184 I HA 0.420 4.592 4.170 0.002 0.000 0.286 184 I C -0.438 175.680 176.117 0.003 0.000 1.002 184 I CA -0.818 60.478 61.300 -0.007 0.000 1.135 184 I CB 1.665 39.638 38.000 -0.045 0.000 1.288 184 I HN 0.438 nan 8.210 nan 0.000 0.448 185 R N 5.207 125.694 120.500 -0.022 0.000 2.562 185 R HA 0.894 5.236 4.340 0.002 0.000 0.298 185 R C -1.001 175.285 176.300 -0.023 0.000 0.961 185 R CA -0.842 55.266 56.100 0.013 0.000 0.881 185 R CB 2.417 32.733 30.300 0.026 0.000 1.159 185 R HN 0.660 nan 8.270 nan 0.000 0.450 186 A N 2.327 125.155 122.820 0.014 0.000 2.520 186 A HA 0.644 4.966 4.320 0.002 0.000 0.298 186 A C -1.687 175.911 177.584 0.023 0.000 1.051 186 A CA -0.800 51.171 52.037 -0.109 0.000 0.690 186 A CB 1.139 20.065 19.000 -0.123 0.000 1.281 186 A HN 0.730 nan 8.150 nan 0.000 0.402 187 Y N -1.075 119.230 120.300 0.009 0.000 2.581 187 Y HA 0.753 5.304 4.550 0.002 0.000 0.345 187 Y C -0.946 174.933 175.900 -0.034 0.000 1.036 187 Y CA -1.984 56.134 58.100 0.030 0.000 1.042 187 Y CB 0.629 39.137 38.460 0.081 0.000 1.289 187 Y HN 0.579 nan 8.280 nan 0.000 0.471 188 Y N 1.498 121.985 120.300 0.311 0.000 2.359 188 Y HA 0.070 4.621 4.550 0.002 0.000 0.330 188 Y C 1.740 177.803 175.900 0.272 0.000 1.143 188 Y CA -0.002 58.210 58.100 0.187 0.000 1.318 188 Y CB 1.211 39.738 38.460 0.110 0.000 1.234 188 Y HN 0.892 nan 8.280 nan 0.000 0.522 189 E N 2.051 122.476 120.200 0.375 0.000 2.331 189 E HA -0.270 4.081 4.350 0.002 0.000 0.199 189 E C 1.012 177.736 176.600 0.205 0.000 1.008 189 E CA 1.072 57.648 56.400 0.294 0.000 0.843 189 E CB 0.171 29.980 29.700 0.182 0.000 0.761 189 E HN 0.726 nan 8.360 nan 0.000 0.507 190 N N 0.108 118.920 118.700 0.186 0.000 2.216 190 N HA -0.057 4.684 4.740 0.002 0.000 0.183 190 N C -0.183 175.383 175.510 0.094 0.000 1.017 190 N CA 1.153 54.266 53.050 0.106 0.000 0.861 190 N CB 0.361 38.884 38.487 0.060 0.000 0.986 190 N HN 0.011 nan 8.380 nan 0.000 0.428 191 S N -0.583 115.204 115.700 0.145 0.000 2.524 191 S HA 0.415 4.886 4.470 0.002 0.000 0.227 191 S C -2.408 172.202 174.600 0.017 0.000 1.304 191 S CA -1.219 57.029 58.200 0.082 0.000 1.185 191 S CB 2.395 65.668 63.200 0.122 0.000 1.104 191 S HN -0.081 nan 8.310 nan 0.000 0.475 192 P HA -0.199 nan 4.420 nan 0.000 0.217 192 P C 2.033 179.115 177.300 -0.363 0.000 1.150 192 P CA 1.048 63.785 63.100 -0.605 0.000 0.832 192 P CB 0.113 31.476 31.700 -0.562 0.000 0.787 193 Q N 0.281 119.976 119.800 -0.175 0.000 2.084 193 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 193 Q C 1.073 177.024 176.000 -0.082 0.000 0.978 193 Q CA 1.389 57.124 55.803 -0.114 0.000 0.844 193 Q CB -1.230 27.463 28.738 -0.075 0.000 0.898 193 Q HN 0.327 nan 8.270 nan 0.000 0.426 194 Q N 1.523 121.304 119.800 -0.031 0.000 2.452 194 Q HA 0.338 4.679 4.340 0.002 0.000 0.230 194 Q C -1.259 174.726 176.000 -0.026 0.000 1.180 194 Q CA -0.272 55.497 55.803 -0.056 0.000 0.914 194 Q CB 0.711 29.482 28.738 0.055 0.000 1.408 194 Q HN 0.114 nan 8.270 nan 0.000 0.520 195 V N 4.175 124.010 119.914 -0.132 0.000 2.716 195 V HA 0.474 4.595 4.120 0.002 0.000 0.304 195 V C -0.475 175.456 176.094 -0.273 0.000 1.053 195 V CA -0.294 62.012 62.300 0.011 0.000 0.984 195 V CB 1.198 33.047 31.823 0.043 0.000 1.021 195 V HN 0.523 nan 8.190 nan 0.000 0.467 196 F N 0.945 120.891 119.950 -0.006 0.000 2.551 196 F HA 0.684 5.213 4.527 0.002 0.000 0.316 196 F C 0.273 176.056 175.800 -0.027 0.000 1.089 196 F CA -0.392 57.578 58.000 -0.049 0.000 0.915 196 F CB 2.329 41.256 39.000 -0.122 0.000 1.186 196 F HN 0.318 nan 8.300 nan 0.000 0.456 197 S N 0.682 116.463 115.700 0.134 0.000 2.548 197 S HA 0.764 5.236 4.470 0.002 0.000 0.276 197 S C -0.875 173.789 174.600 0.107 0.000 1.129 197 S CA -0.678 57.575 58.200 0.089 0.000 0.931 197 S CB 2.249 65.471 63.200 0.037 0.000 1.068 197 S HN 0.559 nan 8.310 nan 0.000 0.480 198 T N 2.295 116.919 114.554 0.116 0.000 2.906 198 T HA 0.468 4.819 4.350 0.002 0.000 0.295 198 T C -0.873 173.921 174.700 0.157 0.000 1.061 198 T CA -0.724 61.461 62.100 0.142 0.000 1.000 198 T CB 1.590 70.564 68.868 0.176 0.000 1.103 198 T HN 0.556 nan 8.240 nan 0.000 0.486 199 E N 1.033 121.330 120.200 0.161 0.000 2.239 199 E HA 0.741 5.092 4.350 0.002 0.000 0.261 199 E C -1.195 175.594 176.600 0.315 0.000 1.016 199 E CA -0.830 55.655 56.400 0.141 0.000 0.882 199 E CB 1.585 31.327 29.700 0.070 0.000 1.190 199 E HN 0.571 nan 8.360 nan 0.000 0.415 200 F N -1.667 118.357 119.950 0.125 0.000 2.635 200 F HA 0.367 4.896 4.527 0.002 0.000 0.314 200 F C -0.772 175.109 175.800 0.135 0.000 1.119 200 F CA -1.130 56.957 58.000 0.145 0.000 1.000 200 F CB 0.941 40.077 39.000 0.226 0.000 1.278 200 F HN 0.264 nan 8.300 nan 0.000 0.446 201 E N 2.298 122.622 120.200 0.206 0.000 2.331 201 E HA 0.579 4.930 4.350 0.002 0.000 0.272 201 E C -1.524 175.177 176.600 0.169 0.000 1.036 201 E CA -0.731 55.745 56.400 0.127 0.000 0.864 201 E CB 1.691 31.449 29.700 0.096 0.000 1.035 201 E HN 0.648 nan 8.360 nan 0.000 0.408 202 V N 5.359 125.327 119.914 0.091 0.000 2.409 202 V HA 0.423 4.544 4.120 0.002 0.000 0.291 202 V C -0.090 176.097 176.094 0.155 0.000 1.020 202 V CA -0.469 61.887 62.300 0.094 0.000 0.848 202 V CB 1.397 33.140 31.823 -0.133 0.000 0.990 202 V HN 0.677 nan 8.190 nan 0.000 0.430 203 K N 3.047 123.563 120.400 0.192 0.000 2.499 203 K HA 0.597 4.918 4.320 0.002 0.000 0.277 203 K C -1.216 175.451 176.600 0.113 0.000 1.025 203 K CA -0.817 55.582 56.287 0.186 0.000 0.900 203 K CB 2.634 35.280 32.500 0.243 0.000 1.494 203 K HN 0.664 nan 8.250 nan 0.000 0.442 204 E N 1.449 121.692 120.200 0.070 0.000 2.133 204 E HA 0.303 4.654 4.350 0.002 0.000 0.274 204 E C -1.663 174.948 176.600 0.017 0.000 0.930 204 E CA -0.645 55.715 56.400 -0.067 0.000 0.770 204 E CB 1.189 30.864 29.700 -0.041 0.000 1.104 204 E HN 0.427 nan 8.360 nan 0.000 0.403 205 Y N -0.788 119.501 120.300 -0.019 0.000 2.592 205 Y HA 0.515 5.067 4.550 0.002 0.000 0.334 205 Y C -0.994 174.886 175.900 -0.033 0.000 1.136 205 Y CA -1.466 56.615 58.100 -0.031 0.000 1.042 205 Y CB 0.230 38.663 38.460 -0.045 0.000 1.325 205 Y HN 0.176 nan 8.280 nan 0.000 0.457 206 V N 0.638 120.656 119.914 0.173 0.000 2.713 206 V HA 0.628 4.749 4.120 0.002 0.000 0.307 206 V C -0.161 176.050 176.094 0.196 0.000 1.052 206 V CA -1.048 61.339 62.300 0.145 0.000 0.967 206 V CB 1.405 33.265 31.823 0.061 0.000 1.019 206 V HN 0.770 nan 8.190 nan 0.000 0.459 207 L N 4.255 125.566 121.223 0.147 0.000 2.452 207 L HA 0.478 4.819 4.340 0.002 0.000 0.267 207 L C -1.842 175.024 176.870 -0.007 0.000 1.188 207 L CA -0.920 53.947 54.840 0.044 0.000 0.821 207 L CB -0.084 41.990 42.059 0.026 0.000 1.102 207 L HN 0.673 nan 8.230 nan 0.000 0.470 208 P HA 0.262 nan 4.420 nan 0.000 0.284 208 P C -0.490 176.746 177.300 -0.106 0.000 1.258 208 P CA -0.538 62.463 63.100 -0.166 0.000 0.824 208 P CB 1.190 32.701 31.700 -0.315 0.000 1.038 209 S N 0.256 115.924 115.700 -0.054 0.000 2.557 209 S HA 0.324 4.795 4.470 0.002 0.000 0.223 209 S C 0.227 174.925 174.600 0.164 0.000 0.969 209 S CA -0.424 57.869 58.200 0.156 0.000 0.927 209 S CB -1.047 62.374 63.200 0.367 0.000 0.806 209 S HN 0.495 nan 8.310 nan 0.000 0.489 210 F N -0.066 119.769 119.950 -0.192 0.000 2.685 210 F HA 0.791 5.319 4.527 0.002 0.000 0.315 210 F C -0.947 174.738 175.800 -0.191 0.000 1.126 210 F CA -1.289 56.524 58.000 -0.312 0.000 0.950 210 F CB 0.793 39.377 39.000 -0.693 0.000 1.360 210 F HN 0.112 nan 8.300 nan 0.000 0.469 211 E N 1.005 121.218 120.200 0.022 0.000 2.207 211 E HA 0.723 5.075 4.350 0.002 0.000 0.270 211 E C -1.842 174.801 176.600 0.072 0.000 0.927 211 E CA -1.043 55.342 56.400 -0.025 0.000 0.799 211 E CB 2.519 32.213 29.700 -0.009 0.000 1.172 211 E HN 0.543 nan 8.360 nan 0.000 0.404 212 V N 3.628 123.554 119.914 0.019 0.000 2.604 212 V HA 0.460 4.582 4.120 0.002 0.000 0.305 212 V C -0.306 175.794 176.094 0.009 0.000 1.043 212 V CA -0.747 61.582 62.300 0.049 0.000 0.888 212 V CB 1.516 33.379 31.823 0.067 0.000 0.995 212 V HN 0.653 nan 8.190 nan 0.000 0.429 213 I N 4.447 125.021 120.570 0.007 0.000 2.512 213 I HA 0.505 4.677 4.170 0.002 0.000 0.287 213 I C -0.827 175.284 176.117 -0.010 0.000 1.069 213 I CA -0.789 60.509 61.300 -0.004 0.000 1.056 213 I CB 2.045 40.044 38.000 -0.003 0.000 1.229 213 I HN 0.238 nan 8.210 nan 0.000 0.429 214 V N 4.960 124.863 119.914 -0.019 0.000 2.532 214 V HA 0.500 4.621 4.120 0.002 0.000 0.295 214 V C -0.319 175.759 176.094 -0.025 0.000 1.041 214 V CA -0.442 61.839 62.300 -0.032 0.000 0.926 214 V CB 1.898 33.685 31.823 -0.060 0.000 0.992 214 V HN 0.751 nan 8.190 nan 0.000 0.457 215 E N 4.061 124.248 120.200 -0.021 0.000 2.313 215 E HA 0.391 4.742 4.350 0.002 0.000 0.280 215 E C -2.939 173.659 176.600 -0.004 0.000 0.898 215 E CA -1.607 54.788 56.400 -0.010 0.000 0.803 215 E CB 2.946 32.645 29.700 -0.002 0.000 1.286 215 E HN 0.467 nan 8.360 nan 0.000 0.401 216 P HA 0.016 nan 4.420 nan 0.000 0.271 216 P C 0.702 177.995 177.300 -0.012 0.000 1.220 216 P CA -0.164 62.936 63.100 0.001 0.000 0.768 216 P CB 0.831 32.533 31.700 0.003 0.000 0.848 217 T N -0.310 114.234 114.554 -0.018 0.000 2.822 217 T HA -0.117 4.234 4.350 0.002 0.000 0.270 217 T C 0.585 175.247 174.700 -0.063 0.000 1.064 217 T CA 1.254 63.336 62.100 -0.029 0.000 1.131 217 T CB -0.368 68.483 68.868 -0.028 0.000 0.858 217 T HN 0.389 nan 8.240 nan 0.000 0.483 218 E N 0.535 120.657 120.200 -0.130 0.000 2.244 218 E HA 0.399 4.750 4.350 0.002 0.000 0.266 218 E C -0.285 176.231 176.600 -0.141 0.000 0.914 218 E CA -0.684 55.563 56.400 -0.255 0.000 0.794 218 E CB 1.880 31.138 29.700 -0.738 0.000 1.210 218 E HN 0.154 nan 8.360 nan 0.000 0.414 219 K N 1.109 121.549 120.400 0.067 0.000 2.589 219 K HA 0.131 4.452 4.320 0.002 0.000 0.204 219 K C -0.432 176.368 176.600 0.333 0.000 1.029 219 K CA 0.260 56.668 56.287 0.200 0.000 1.177 219 K CB -0.367 32.264 32.500 0.218 0.000 0.902 219 K HN 0.314 nan 8.250 nan 0.000 0.501 220 F N -3.971 116.017 119.950 0.063 0.000 2.900 220 F HA 0.321 4.849 4.527 0.002 0.000 0.321 220 F C -1.792 174.115 175.800 0.178 0.000 1.160 220 F CA -1.836 56.222 58.000 0.097 0.000 0.890 220 F CB 0.708 39.733 39.000 0.042 0.000 1.334 220 F HN -0.219 nan 8.300 nan 0.000 0.459 221 Y N 1.836 122.219 120.300 0.139 0.000 2.361 221 Y HA 0.569 5.120 4.550 0.002 0.000 0.337 221 Y C -1.685 174.385 175.900 0.284 0.000 0.965 221 Y CA -1.778 56.355 58.100 0.055 0.000 1.091 221 Y CB 1.279 39.772 38.460 0.055 0.000 1.182 221 Y HN 0.738 nan 8.280 nan 0.000 0.450 222 Y N 7.613 127.563 120.300 -0.584 0.000 2.365 222 Y HA 0.290 4.841 4.550 0.002 0.000 0.340 222 Y C 0.948 176.420 175.900 -0.712 0.000 1.016 222 Y CA -0.832 57.057 58.100 -0.352 0.000 1.196 222 Y CB 0.649 39.041 38.460 -0.113 0.000 1.167 222 Y HN 0.786 nan 8.280 nan 0.000 0.509 223 I N 4.941 125.130 120.570 -0.636 0.000 2.315 223 I HA -0.364 3.807 4.170 0.002 0.000 0.251 223 I C 0.686 176.452 176.117 -0.586 0.000 1.125 223 I CA 1.646 62.649 61.300 -0.496 0.000 1.392 223 I CB -0.382 37.400 38.000 -0.364 0.000 1.065 223 I HN 0.691 nan 8.210 nan 0.000 0.424 224 Y N 0.118 119.883 120.300 -0.892 0.000 2.495 224 Y HA 0.147 4.698 4.550 0.002 0.000 0.293 224 Y C 0.990 176.781 175.900 -0.181 0.000 1.186 224 Y CA -0.474 57.346 58.100 -0.468 0.000 1.266 224 Y CB -0.405 37.791 38.460 -0.440 0.000 1.101 224 Y HN 0.101 nan 8.280 nan 0.000 0.517 225 N N 1.932 120.579 118.700 -0.087 0.000 2.663 225 N HA -0.046 4.695 4.740 0.002 0.000 0.250 225 N C 1.013 176.589 175.510 0.111 0.000 1.129 225 N CA 0.282 53.371 53.050 0.065 0.000 0.995 225 N CB 0.483 38.939 38.487 -0.052 0.000 1.324 225 N HN 0.251 nan 8.380 nan 0.000 0.512 226 E N 2.573 122.830 120.200 0.095 0.000 2.233 226 E HA -0.199 4.153 4.350 0.002 0.000 0.199 226 E C 0.929 177.574 176.600 0.076 0.000 1.004 226 E CA 1.576 58.020 56.400 0.073 0.000 0.819 226 E CB 0.232 29.965 29.700 0.054 0.000 0.738 226 E HN 0.498 nan 8.360 nan 0.000 0.478 227 K N -0.953 119.502 120.400 0.092 0.000 2.365 227 K HA 0.114 4.436 4.320 0.002 0.000 0.199 227 K C 0.872 177.517 176.600 0.075 0.000 1.045 227 K CA 0.474 56.803 56.287 0.069 0.000 0.962 227 K CB 0.030 32.567 32.500 0.062 0.000 0.759 227 K HN 0.286 nan 8.250 nan 0.000 0.469 228 G N 0.861 109.765 108.800 0.173 0.000 2.693 228 G HA2 -0.269 3.692 3.960 0.002 0.000 0.226 228 G HA3 -0.269 3.692 3.960 0.002 0.000 0.226 228 G C -1.276 173.684 174.900 0.101 0.000 1.354 228 G CA -0.476 44.676 45.100 0.088 0.000 0.873 228 G HN 0.144 nan 8.290 nan 0.000 0.562 229 L N 1.163 122.281 121.223 -0.175 0.000 2.260 229 L HA 0.630 4.972 4.340 0.002 0.000 0.289 229 L C 0.518 177.409 176.870 0.035 0.000 1.057 229 L CA -0.241 54.581 54.840 -0.029 0.000 0.811 229 L CB 0.581 42.597 42.059 -0.073 0.000 1.184 229 L HN 0.591 nan 8.230 nan 0.000 0.429 230 E N 4.040 124.275 120.200 0.059 0.000 2.216 230 E HA 0.579 4.930 4.350 0.002 0.000 0.279 230 E C -1.233 175.407 176.600 0.067 0.000 0.997 230 E CA -0.702 55.730 56.400 0.052 0.000 0.817 230 E CB 2.320 32.036 29.700 0.027 0.000 1.096 230 E HN 0.420 nan 8.360 nan 0.000 0.393 231 V N 2.339 122.302 119.914 0.082 0.000 2.808 231 V HA 0.276 4.397 4.120 0.002 0.000 0.308 231 V C -0.664 175.454 176.094 0.039 0.000 1.099 231 V CA -0.729 61.610 62.300 0.064 0.000 0.920 231 V CB 2.532 34.411 31.823 0.093 0.000 1.014 231 V HN 0.708 nan 8.190 nan 0.000 0.425 232 T N 5.780 120.344 114.554 0.016 0.000 2.770 232 T HA 0.589 4.940 4.350 0.002 0.000 0.283 232 T C -0.399 174.300 174.700 -0.002 0.000 0.988 232 T CA -0.368 61.736 62.100 0.007 0.000 0.957 232 T CB 0.939 69.809 68.868 0.003 0.000 0.930 232 T HN 0.270 nan 8.240 nan 0.000 0.443 233 I N 3.492 124.059 120.570 -0.005 0.000 2.385 233 I HA 0.433 4.604 4.170 0.002 0.000 0.294 233 I C 0.455 176.562 176.117 -0.017 0.000 0.988 233 I CA -0.436 60.857 61.300 -0.012 0.000 1.265 233 I CB 1.216 39.208 38.000 -0.013 0.000 1.388 233 I HN 0.621 nan 8.210 nan 0.000 0.480 234 T N 5.026 119.571 114.554 -0.015 0.000 2.928 234 T HA 0.733 5.084 4.350 0.002 0.000 0.296 234 T C -0.494 174.195 174.700 -0.018 0.000 1.000 234 T CA -0.609 61.480 62.100 -0.019 0.000 0.989 234 T CB 1.991 70.852 68.868 -0.011 0.000 1.005 234 T HN 0.717 nan 8.240 nan 0.000 0.442 235 A N 3.622 126.411 122.820 -0.052 0.000 2.371 235 A HA 0.960 5.281 4.320 0.002 0.000 0.311 235 A C -0.450 177.058 177.584 -0.127 0.000 1.068 235 A CA -1.114 50.876 52.037 -0.079 0.000 0.744 235 A CB 1.277 20.156 19.000 -0.200 0.000 1.239 235 A HN 0.949 nan 8.150 nan 0.000 0.435 236 R N 1.458 121.895 120.500 -0.105 0.000 2.536 236 R HA 0.564 4.905 4.340 0.002 0.000 0.269 236 R C -1.604 174.637 176.300 -0.098 0.000 1.113 236 R CA -0.683 55.363 56.100 -0.090 0.000 0.948 236 R CB 0.435 30.731 30.300 -0.006 0.000 1.237 236 R HN 0.377 nan 8.270 nan 0.000 0.441 237 F N 2.111 121.952 119.950 -0.181 0.000 2.640 237 F HA -0.030 4.498 4.527 0.002 0.000 0.329 237 F C 1.952 177.595 175.800 -0.261 0.000 1.224 237 F CA 0.035 57.844 58.000 -0.318 0.000 1.373 237 F CB 0.338 38.730 39.000 -1.013 0.000 1.129 237 F HN 0.420 nan 8.300 nan 0.000 0.610 238 L N 0.175 121.379 121.223 -0.031 0.000 1.988 238 L HA -0.141 4.201 4.340 0.002 0.000 0.207 238 L C 0.496 177.412 176.870 0.078 0.000 1.071 238 L CA 0.484 55.351 54.840 0.046 0.000 0.744 238 L CB -0.876 41.247 42.059 0.105 0.000 0.893 238 L HN 0.550 nan 8.230 nan 0.000 0.433 239 Y N 1.168 121.564 120.300 0.160 0.000 2.805 239 Y HA 0.288 4.839 4.550 0.002 0.000 0.331 239 Y C 0.898 176.875 175.900 0.128 0.000 1.241 239 Y CA -1.152 57.012 58.100 0.106 0.000 1.546 239 Y CB -0.802 37.695 38.460 0.063 0.000 1.248 239 Y HN 0.016 nan 8.280 nan 0.000 0.559 240 G N 4.651 113.547 108.800 0.160 0.000 2.307 240 G HA2 0.387 4.348 3.960 0.002 0.000 0.271 240 G HA3 0.387 4.348 3.960 0.002 0.000 0.271 240 G C -0.385 174.581 174.900 0.110 0.000 1.191 240 G CA -0.459 44.696 45.100 0.093 0.000 1.024 240 G HN 0.526 nan 8.290 nan 0.000 0.441 241 K N 1.597 122.043 120.400 0.077 0.000 2.572 241 K HA 0.237 4.558 4.320 0.002 0.000 0.263 241 K C -0.281 176.420 176.600 0.168 0.000 0.932 241 K CA -0.764 55.588 56.287 0.108 0.000 0.838 241 K CB 1.841 34.403 32.500 0.103 0.000 1.366 241 K HN 0.512 nan 8.250 nan 0.000 0.425 242 K N 0.991 121.464 120.400 0.122 0.000 2.295 242 K HA 0.341 4.663 4.320 0.002 0.000 0.270 242 K C -0.128 176.569 176.600 0.162 0.000 1.011 242 K CA -0.508 55.839 56.287 0.100 0.000 0.953 242 K CB 0.898 33.426 32.500 0.048 0.000 0.956 242 K HN 0.167 nan 8.250 nan 0.000 0.477 243 V N 3.305 123.232 119.914 0.022 0.000 2.532 243 V HA 0.153 4.274 4.120 0.002 0.000 0.295 243 V C -0.097 175.938 176.094 -0.097 0.000 1.041 243 V CA -0.559 61.695 62.300 -0.076 0.000 0.926 243 V CB 1.562 33.035 31.823 -0.583 0.000 0.992 243 V HN 0.694 nan 8.190 nan 0.000 0.457 244 E N 2.640 122.804 120.200 -0.061 0.000 2.195 244 E HA 0.772 5.123 4.350 0.002 0.000 0.271 244 E C 0.067 176.423 176.600 -0.407 0.000 0.923 244 E CA -0.279 56.069 56.400 -0.086 0.000 0.790 244 E CB 2.427 32.203 29.700 0.126 0.000 1.155 244 E HN 0.928 nan 8.360 nan 0.000 0.402 245 G N 0.802 109.187 108.800 -0.691 0.000 2.320 245 G HA2 0.318 4.279 3.960 0.002 0.000 0.296 245 G HA3 0.318 4.279 3.960 0.002 0.000 0.296 245 G C -1.011 173.577 174.900 -0.521 0.000 1.306 245 G CA -0.456 44.016 45.100 -1.047 0.000 0.836 245 G HN 0.481 nan 8.290 nan 0.000 0.517 246 T N -2.257 112.110 114.554 -0.312 0.000 2.912 246 T HA 0.906 5.257 4.350 0.002 0.000 0.288 246 T C -0.197 174.367 174.700 -0.226 0.000 1.030 246 T CA 0.023 61.999 62.100 -0.207 0.000 1.020 246 T CB 2.005 70.761 68.868 -0.187 0.000 1.056 246 T HN 2.163 nan 8.240 nan 0.000 0.480 247 A N 1.718 124.367 122.820 -0.285 0.000 2.398 247 A HA 0.720 5.041 4.320 0.002 0.000 0.301 247 A C -1.108 176.317 177.584 -0.265 0.000 1.041 247 A CA -0.976 50.958 52.037 -0.171 0.000 0.711 247 A CB 0.804 19.770 19.000 -0.056 0.000 1.240 247 A HN 0.761 nan 8.150 nan 0.000 0.420 248 F N 2.078 122.038 119.950 0.015 0.000 2.405 248 F HA 0.521 5.049 4.527 0.002 0.000 0.355 248 F C 0.280 176.094 175.800 0.023 0.000 1.121 248 F CA -0.484 57.529 58.000 0.022 0.000 1.112 248 F CB 1.645 40.657 39.000 0.021 0.000 1.126 248 F HN 0.269 nan 8.300 nan 0.000 0.481 249 V N 5.323 125.341 119.914 0.172 0.000 2.628 249 V HA 0.614 4.735 4.120 0.002 0.000 0.306 249 V C -0.391 175.815 176.094 0.187 0.000 1.045 249 V CA -0.958 61.423 62.300 0.135 0.000 0.905 249 V CB 2.222 34.124 31.823 0.131 0.000 0.997 249 V HN 0.740 nan 8.190 nan 0.000 0.436 250 I N 2.567 123.214 120.570 0.129 0.000 2.842 250 I HA 0.602 4.773 4.170 0.002 0.000 0.297 250 I C -1.710 174.449 176.117 0.070 0.000 1.380 250 I CA -0.352 61.071 61.300 0.206 0.000 1.018 250 I CB 2.103 40.165 38.000 0.104 0.000 1.311 250 I HN 0.535 nan 8.210 nan 0.000 0.439 251 F N 3.931 123.760 119.950 -0.203 0.000 2.585 251 F HA 0.943 5.471 4.527 0.002 0.000 0.350 251 F C 0.817 176.266 175.800 -0.584 0.000 1.074 251 F CA -0.561 57.218 58.000 -0.367 0.000 1.032 251 F CB 2.059 40.896 39.000 -0.272 0.000 1.330 251 F HN 0.540 nan 8.300 nan 0.000 0.495 252 G N -0.018 108.340 108.800 -0.737 0.000 2.559 252 G HA2 0.593 4.554 3.960 0.002 0.000 0.291 252 G HA3 0.593 4.554 3.960 0.002 0.000 0.291 252 G C -2.085 172.663 174.900 -0.252 0.000 1.424 252 G CA -0.828 43.851 45.100 -0.701 0.000 0.786 252 G HN 0.504 nan 8.290 nan 0.000 0.485 253 I N 0.236 120.898 120.570 0.153 0.000 2.474 253 I HA 0.465 4.636 4.170 0.002 0.000 0.294 253 I C -0.183 176.120 176.117 0.311 0.000 1.005 253 I CA -0.707 60.730 61.300 0.228 0.000 1.113 253 I CB 2.184 40.252 38.000 0.112 0.000 1.289 253 I HN 0.437 nan 8.210 nan 0.000 0.436 254 Q N 4.075 124.018 119.800 0.237 0.000 2.282 254 Q HA 0.316 4.657 4.340 0.002 0.000 0.260 254 Q C -1.541 174.504 176.000 0.074 0.000 0.964 254 Q CA -0.597 55.271 55.803 0.108 0.000 0.880 254 Q CB 2.042 30.787 28.738 0.012 0.000 1.286 254 Q HN 0.501 nan 8.270 nan 0.000 0.445 255 D N 2.474 122.902 120.400 0.047 0.000 2.469 255 D HA 0.398 5.040 4.640 0.002 0.000 0.251 255 D C 0.473 176.786 176.300 0.021 0.000 1.173 255 D CA 0.925 54.947 54.000 0.038 0.000 0.882 255 D CB 1.052 41.875 40.800 0.038 0.000 1.129 255 D HN 0.793 nan 8.370 nan 0.000 0.549 256 G N 4.927 113.739 108.800 0.019 0.000 2.846 256 G HA2 -0.368 3.594 3.960 0.002 0.000 0.317 256 G HA3 -0.368 3.594 3.960 0.002 0.000 0.317 256 G C 0.609 175.508 174.900 -0.003 0.000 1.210 256 G CA 0.881 45.987 45.100 0.010 0.000 0.972 256 G HN 0.514 nan 8.290 nan 0.000 0.567 257 E N 0.995 121.189 120.200 -0.010 0.000 2.539 257 E HA 0.301 4.652 4.350 0.002 0.000 0.215 257 E C 1.036 177.617 176.600 -0.032 0.000 0.965 257 E CA 0.518 56.902 56.400 -0.026 0.000 1.019 257 E CB 0.362 30.050 29.700 -0.021 0.000 1.059 257 E HN 0.719 nan 8.360 nan 0.000 0.496 258 Q N 1.660 121.452 119.800 -0.014 0.000 2.288 258 Q HA 0.287 4.628 4.340 0.002 0.000 0.254 258 Q C -0.553 175.447 176.000 -0.000 0.000 0.932 258 Q CA -0.221 55.579 55.803 -0.005 0.000 0.902 258 Q CB 0.723 29.467 28.738 0.010 0.000 1.203 258 Q HN -0.042 nan 8.270 nan 0.000 0.415 259 R N 4.414 124.918 120.500 0.007 0.000 2.473 259 R HA 0.409 4.750 4.340 0.002 0.000 0.303 259 R C -1.116 175.253 176.300 0.114 0.000 1.002 259 R CA -0.664 55.458 56.100 0.037 0.000 0.884 259 R CB 1.138 31.395 30.300 -0.073 0.000 1.173 259 R HN 0.609 nan 8.270 nan 0.000 0.464 260 I N 2.023 122.696 120.570 0.171 0.000 2.362 260 I HA 0.210 4.381 4.170 0.002 0.000 0.289 260 I C 0.652 176.867 176.117 0.163 0.000 0.994 260 I CA -0.420 60.962 61.300 0.137 0.000 1.158 260 I CB 1.337 39.387 38.000 0.083 0.000 1.315 260 I HN 0.433 nan 8.210 nan 0.000 0.451 261 S N 6.644 122.420 115.700 0.127 0.000 2.584 261 S HA 0.569 5.040 4.470 0.002 0.000 0.273 261 S C -0.178 174.430 174.600 0.012 0.000 1.311 261 S CA -0.513 57.724 58.200 0.062 0.000 1.034 261 S CB 0.502 63.746 63.200 0.074 0.000 0.939 261 S HN 0.442 nan 8.310 nan 0.000 0.513 262 L N 6.603 127.810 121.223 -0.027 0.000 2.314 262 L HA 0.367 4.708 4.340 0.002 0.000 0.275 262 L C -1.381 175.477 176.870 -0.019 0.000 1.068 262 L CA -1.627 53.195 54.840 -0.030 0.000 0.894 262 L CB 0.961 42.984 42.059 -0.059 0.000 1.275 262 L HN 0.566 nan 8.230 nan 0.000 0.432 263 P HA -0.196 nan 4.420 nan 0.000 0.221 263 P C 0.972 178.271 177.300 -0.003 0.000 1.145 263 P CA 1.238 64.339 63.100 0.003 0.000 0.795 263 P CB 0.527 32.229 31.700 0.003 0.000 0.775 264 E N 0.080 120.268 120.200 -0.021 0.000 2.442 264 E HA -0.029 4.322 4.350 0.002 0.000 0.195 264 E C 1.732 178.303 176.600 -0.049 0.000 1.030 264 E CA 0.441 56.822 56.400 -0.031 0.000 0.869 264 E CB 0.055 29.730 29.700 -0.041 0.000 0.857 264 E HN 0.278 nan 8.360 nan 0.000 0.505 265 S N 0.195 115.858 115.700 -0.061 0.000 2.607 265 S HA -0.018 4.454 4.470 0.002 0.000 0.224 265 S C 0.747 175.329 174.600 -0.029 0.000 0.969 265 S CA -0.355 57.775 58.200 -0.117 0.000 0.927 265 S CB -0.121 62.971 63.200 -0.181 0.000 0.772 265 S HN 0.103 nan 8.310 nan 0.000 0.533 266 L N 3.109 124.347 121.223 0.025 0.000 2.559 266 L HA 0.303 4.644 4.340 0.002 0.000 0.274 266 L C -0.349 176.560 176.870 0.064 0.000 1.205 266 L CA 0.783 55.669 54.840 0.076 0.000 0.907 266 L CB 0.014 42.117 42.059 0.074 0.000 1.153 266 L HN 0.086 nan 8.230 nan 0.000 0.490 267 K N 5.580 126.036 120.400 0.092 0.000 2.464 267 K HA 0.396 4.717 4.320 0.002 0.000 0.253 267 K C -1.060 175.563 176.600 0.039 0.000 0.933 267 K CA -0.722 55.596 56.287 0.050 0.000 0.801 267 K CB 2.358 34.874 32.500 0.028 0.000 1.271 267 K HN 0.591 nan 8.250 nan 0.000 0.430 268 R N 3.312 123.799 120.500 -0.022 0.000 2.288 268 R HA 0.352 4.693 4.340 0.002 0.000 0.326 268 R C -0.465 175.742 176.300 -0.155 0.000 0.959 268 R CA -0.530 55.470 56.100 -0.166 0.000 0.834 268 R CB 0.132 30.300 30.300 -0.221 0.000 1.157 268 R HN 0.632 nan 8.270 nan 0.000 0.470 269 I N 1.596 122.068 120.570 -0.164 0.000 2.648 269 I HA 0.679 4.850 4.170 0.002 0.000 0.304 269 I C -2.705 173.336 176.117 -0.128 0.000 1.009 269 I CA -3.159 58.076 61.300 -0.109 0.000 1.114 269 I CB 1.705 39.669 38.000 -0.060 0.000 1.293 269 I HN 0.407 nan 8.210 nan 0.000 0.449 270 P HA 0.339 nan 4.420 nan 0.000 0.286 270 P C -0.867 176.401 177.300 -0.052 0.000 1.269 270 P CA -0.142 62.928 63.100 -0.050 0.000 0.787 270 P CB 0.677 32.372 31.700 -0.008 0.000 0.920 271 I N 3.754 124.279 120.570 -0.075 0.000 2.287 271 I HA 0.207 4.378 4.170 0.002 0.000 0.290 271 I C 0.569 176.654 176.117 -0.053 0.000 1.069 271 I CA -0.150 61.102 61.300 -0.081 0.000 1.237 271 I CB -0.466 37.455 38.000 -0.132 0.000 1.418 271 I HN 0.324 nan 8.210 nan 0.000 0.481 272 E N 4.240 124.426 120.200 -0.024 0.000 2.171 272 E HA 0.194 4.545 4.350 0.002 0.000 0.271 272 E C -0.361 176.236 176.600 -0.005 0.000 0.916 272 E CA -0.598 55.803 56.400 0.002 0.000 0.774 272 E CB 1.253 30.959 29.700 0.010 0.000 1.128 272 E HN 0.441 nan 8.360 nan 0.000 0.403 273 D N 2.670 123.073 120.400 0.006 0.000 2.812 273 D HA -0.205 4.436 4.640 0.002 0.000 0.237 273 D C 0.763 177.059 176.300 -0.007 0.000 1.162 273 D CA 1.483 55.487 54.000 0.007 0.000 0.740 273 D CB -1.114 39.691 40.800 0.009 0.000 1.000 273 D HN 0.870 nan 8.370 nan 0.000 0.416 274 G N -0.376 108.409 108.800 -0.025 0.000 2.186 274 G HA2 -0.266 3.695 3.960 0.002 0.000 0.266 274 G HA3 -0.266 3.695 3.960 0.002 0.000 0.266 274 G C 0.334 175.206 174.900 -0.047 0.000 0.982 274 G CA 1.192 46.264 45.100 -0.047 0.000 0.670 274 G HN 1.437 nan 8.290 nan 0.000 0.533 275 S N -1.543 114.135 115.700 -0.038 0.000 2.579 275 S HA 0.869 5.340 4.470 0.002 0.000 0.272 275 S C -0.229 174.354 174.600 -0.029 0.000 1.141 275 S CA 0.706 58.888 58.200 -0.029 0.000 0.843 275 S CB 1.867 65.057 63.200 -0.015 0.000 1.122 275 S HN 1.843 nan 8.310 nan 0.000 0.468 276 G N 1.300 110.086 108.800 -0.023 0.000 2.720 276 G HA2 0.554 4.516 3.960 0.002 0.000 0.295 276 G HA3 0.554 4.516 3.960 0.002 0.000 0.295 276 G C -2.095 172.799 174.900 -0.009 0.000 1.437 276 G CA -0.481 44.606 45.100 -0.021 0.000 0.886 276 G HN 0.601 nan 8.290 nan 0.000 0.509 277 E N -0.632 119.564 120.200 -0.005 0.000 2.207 277 E HA 0.798 5.149 4.350 0.002 0.000 0.270 277 E C -0.899 175.709 176.600 0.013 0.000 0.927 277 E CA -0.546 55.857 56.400 0.005 0.000 0.799 277 E CB 2.243 31.943 29.700 0.001 0.000 1.172 277 E HN 0.671 nan 8.360 nan 0.000 0.404 278 V N 2.972 122.906 119.914 0.035 0.000 3.236 278 V HA 0.630 4.751 4.120 0.002 0.000 0.287 278 V C -1.816 174.326 176.094 0.078 0.000 1.491 278 V CA -0.523 61.807 62.300 0.051 0.000 1.037 278 V CB 2.337 34.209 31.823 0.082 0.000 1.160 278 V HN 0.553 nan 8.190 nan 0.000 0.453 279 V N 2.778 122.701 119.914 0.015 0.000 2.697 279 V HA 0.519 4.641 4.120 0.002 0.000 0.296 279 V C -0.707 175.191 176.094 -0.326 0.000 1.140 279 V CA -0.732 61.535 62.300 -0.055 0.000 0.921 279 V CB 1.198 32.993 31.823 -0.047 0.000 1.036 279 V HN 1.023 nan 8.190 nan 0.000 0.438 280 L N 4.110 124.864 121.223 -0.782 0.000 2.485 280 L HA 0.595 4.936 4.340 0.002 0.000 0.275 280 L C 0.566 177.146 176.870 -0.483 0.000 1.207 280 L CA 1.188 55.429 54.840 -0.998 0.000 0.855 280 L CB 1.146 42.264 42.059 -1.569 0.000 1.114 280 L HN 0.989 nan 8.230 nan 0.000 0.485 281 S N 4.422 119.899 115.700 -0.370 0.000 2.482 281 S HA 0.514 4.985 4.470 0.002 0.000 0.303 281 S C 0.759 175.241 174.600 -0.197 0.000 1.091 281 S CA -0.857 57.209 58.200 -0.223 0.000 1.057 281 S CB 1.765 64.871 63.200 -0.157 0.000 1.031 281 S HN 0.739 nan 8.310 nan 0.000 0.485 282 R N 2.107 122.530 120.500 -0.130 0.000 2.292 282 R HA -0.287 4.054 4.340 0.002 0.000 0.223 282 R C 2.110 178.350 176.300 -0.099 0.000 1.088 282 R CA 2.500 58.546 56.100 -0.089 0.000 0.849 282 R CB -0.541 29.764 30.300 0.009 0.000 0.852 282 R HN 0.779 nan 8.270 nan 0.000 0.424 283 K N 0.085 120.442 120.400 -0.072 0.000 2.366 283 K HA -0.136 4.185 4.320 0.002 0.000 0.202 283 K C 1.440 177.989 176.600 -0.086 0.000 1.045 283 K CA 1.931 58.177 56.287 -0.068 0.000 0.934 283 K CB -0.126 32.341 32.500 -0.055 0.000 0.746 283 K HN 0.246 nan 8.250 nan 0.000 0.470 284 V N -0.047 119.796 119.914 -0.118 0.000 2.667 284 V HA -0.126 3.995 4.120 0.002 0.000 0.252 284 V C 1.908 177.919 176.094 -0.139 0.000 1.065 284 V CA 0.998 63.214 62.300 -0.140 0.000 1.083 284 V CB -0.466 31.235 31.823 -0.204 0.000 0.692 284 V HN 0.179 nan 8.190 nan 0.000 0.468 285 L N -1.174 119.963 121.223 -0.142 0.000 2.185 285 L HA 0.160 4.501 4.340 0.002 0.000 0.198 285 L C 2.131 178.955 176.870 -0.077 0.000 1.079 285 L CA 1.083 55.852 54.840 -0.118 0.000 0.780 285 L CB -1.030 40.949 42.059 -0.133 0.000 0.955 285 L HN 0.099 nan 8.230 nan 0.000 0.462 286 L N 0.587 121.768 121.223 -0.070 0.000 2.120 286 L HA -0.372 3.969 4.340 0.002 0.000 0.248 286 L C 2.360 179.205 176.870 -0.043 0.000 1.102 286 L CA 2.588 57.397 54.840 -0.051 0.000 0.842 286 L CB -1.569 40.459 42.059 -0.052 0.000 0.940 286 L HN 0.432 nan 8.230 nan 0.000 0.440 287 D N -0.247 120.127 120.400 -0.043 0.000 2.172 287 D HA -0.180 4.462 4.640 0.002 0.000 0.196 287 D C 1.971 178.251 176.300 -0.034 0.000 0.999 287 D CA 1.350 55.329 54.000 -0.035 0.000 0.856 287 D CB -1.083 39.696 40.800 -0.035 0.000 0.934 287 D HN 0.501 nan 8.370 nan 0.000 0.453 288 G N 0.743 109.516 108.800 -0.045 0.000 2.703 288 G HA2 -0.359 3.602 3.960 0.002 0.000 0.222 288 G HA3 -0.359 3.602 3.960 0.002 0.000 0.222 288 G C 1.624 176.508 174.900 -0.027 0.000 1.183 288 G CA 2.634 47.709 45.100 -0.043 0.000 0.775 288 G HN 0.618 nan 8.290 nan 0.000 0.615 289 V N -0.995 118.906 119.914 -0.022 0.000 3.608 289 V HA 0.328 4.450 4.120 0.002 0.000 0.269 289 V C 0.768 176.857 176.094 -0.009 0.000 1.245 289 V CA 1.587 63.881 62.300 -0.010 0.000 1.138 289 V CB 0.218 32.040 31.823 -0.002 0.000 0.841 289 V HN 0.960 nan 8.190 nan 0.000 0.451 290 Q N 1.788 121.579 119.800 -0.015 0.000 2.227 290 Q HA -0.112 4.229 4.340 0.002 0.000 0.274 290 Q C -0.281 175.708 176.000 -0.017 0.000 0.784 290 Q CA 0.592 56.386 55.803 -0.014 0.000 1.176 290 Q CB -2.848 25.885 28.738 -0.008 0.000 1.019 290 Q HN 1.096 nan 8.270 nan 0.000 0.756 291 N N 1.014 119.700 118.700 -0.024 0.000 3.024 291 N HA -0.120 4.621 4.740 0.002 0.000 0.296 291 N C -2.277 173.218 175.510 -0.025 0.000 1.053 291 N CA 1.296 54.329 53.050 -0.029 0.000 0.866 291 N CB -0.578 37.889 38.487 -0.033 0.000 0.929 291 N HN 0.459 nan 8.380 nan 0.000 0.619 292 P HA 0.171 nan 4.420 nan 0.000 0.226 292 P C 0.009 177.296 177.300 -0.022 0.000 1.832 292 P CA -0.410 62.679 63.100 -0.017 0.000 1.092 292 P CB 0.174 31.868 31.700 -0.010 0.000 1.873 293 R N 1.802 122.284 120.500 -0.030 0.000 1.391 293 R HA -0.209 4.132 4.340 0.002 0.000 0.397 293 R C 0.101 176.372 176.300 -0.049 0.000 1.327 293 R CA 0.440 56.517 56.100 -0.039 0.000 1.288 293 R CB -0.879 29.404 30.300 -0.027 0.000 3.628 293 R HN 0.379 nan 8.270 nan 0.000 0.479 294 A N 5.067 127.838 122.820 -0.081 0.000 1.994 294 A HA -0.180 4.141 4.320 0.002 0.000 0.202 294 A C 1.341 178.877 177.584 -0.079 0.000 1.286 294 A CA 1.573 53.549 52.037 -0.101 0.000 0.653 294 A CB -0.737 18.146 19.000 -0.195 0.000 0.926 294 A HN 1.003 nan 8.150 nan 0.000 0.494 295 E N -0.530 119.601 120.200 -0.116 0.000 2.950 295 E HA -0.483 3.868 4.350 0.002 0.000 0.208 295 E C 1.213 177.807 176.600 -0.009 0.000 0.906 295 E CA 2.055 58.428 56.400 -0.045 0.000 1.607 295 E CB -1.814 27.878 29.700 -0.013 0.000 1.582 295 E HN 0.556 nan 8.360 nan 0.000 0.440 296 D N 1.260 121.657 120.400 -0.005 0.000 2.569 296 D HA -0.240 4.401 4.640 0.002 0.000 0.191 296 D C 2.000 178.310 176.300 0.017 0.000 1.042 296 D CA 2.069 56.073 54.000 0.007 0.000 0.873 296 D CB -0.696 40.105 40.800 0.003 0.000 0.946 296 D HN 0.199 nan 8.370 nan 0.000 0.467 297 L N 0.238 121.469 121.223 0.014 0.000 2.085 297 L HA -0.172 4.169 4.340 0.002 0.000 0.218 297 L C 0.821 177.720 176.870 0.048 0.000 1.080 297 L CA 0.923 55.782 54.840 0.032 0.000 0.776 297 L CB -0.407 41.672 42.059 0.033 0.000 0.891 297 L HN -0.016 nan 8.230 nan 0.000 0.437 298 V N 0.583 120.524 119.914 0.044 0.000 2.814 298 V HA -0.029 4.092 4.120 0.002 0.000 0.298 298 V C 1.436 177.564 176.094 0.057 0.000 1.195 298 V CA 1.550 63.885 62.300 0.058 0.000 1.323 298 V CB -0.076 31.779 31.823 0.053 0.000 0.842 298 V HN 0.764 nan 8.190 nan 0.000 0.494 299 G N 4.206 113.046 108.800 0.068 0.000 2.313 299 G HA2 -0.202 3.759 3.960 0.002 0.000 0.215 299 G HA3 -0.202 3.759 3.960 0.002 0.000 0.215 299 G C 0.342 175.283 174.900 0.068 0.000 1.023 299 G CA 0.198 45.335 45.100 0.061 0.000 0.626 299 G HN 0.659 nan 8.290 nan 0.000 0.503 300 K N 0.985 121.430 120.400 0.074 0.000 2.233 300 K HA 0.610 4.932 4.320 0.002 0.000 0.239 300 K C 0.673 177.335 176.600 0.103 0.000 1.064 300 K CA 0.390 56.726 56.287 0.081 0.000 0.884 300 K CB 0.602 33.148 32.500 0.076 0.000 1.166 300 K HN 0.577 nan 8.250 nan 0.000 0.512 301 S N -0.585 115.183 115.700 0.114 0.000 2.632 301 S HA 0.600 5.071 4.470 0.002 0.000 0.289 301 S C -0.700 174.003 174.600 0.172 0.000 1.115 301 S CA -1.110 57.172 58.200 0.137 0.000 0.889 301 S CB 0.918 64.187 63.200 0.116 0.000 1.116 301 S HN 0.359 nan 8.310 nan 0.000 0.486 302 L N 1.035 122.364 121.223 0.177 0.000 2.304 302 L HA 0.740 5.081 4.340 0.002 0.000 0.268 302 L C -1.077 175.944 176.870 0.252 0.000 1.010 302 L CA -1.185 53.764 54.840 0.180 0.000 0.813 302 L CB 1.612 43.730 42.059 0.099 0.000 1.315 302 L HN 1.017 nan 8.230 nan 0.000 0.445 303 Y N -0.820 119.469 120.300 -0.019 0.000 2.581 303 Y HA 0.720 5.271 4.550 0.002 0.000 0.337 303 Y C -1.104 174.649 175.900 -0.245 0.000 1.108 303 Y CA -1.381 56.663 58.100 -0.094 0.000 1.033 303 Y CB 1.403 39.829 38.460 -0.057 0.000 1.318 303 Y HN 0.215 nan 8.280 nan 0.000 0.459 304 V N -0.288 119.474 119.914 -0.255 0.000 2.577 304 V HA 0.729 4.850 4.120 0.002 0.000 0.303 304 V C -0.557 175.397 176.094 -0.233 0.000 1.042 304 V CA -0.688 61.278 62.300 -0.556 0.000 0.872 304 V CB 1.119 32.435 31.823 -0.846 0.000 0.998 304 V HN 0.908 nan 8.190 nan 0.000 0.423 305 S N 3.047 118.641 115.700 -0.178 0.000 2.451 305 S HA 0.880 5.351 4.470 0.002 0.000 0.301 305 S C -0.031 174.540 174.600 -0.048 0.000 1.116 305 S CA 0.258 58.426 58.200 -0.053 0.000 1.093 305 S CB 1.047 64.259 63.200 0.020 0.000 1.017 305 S HN 1.729 nan 8.310 nan 0.000 0.482 306 A N 3.595 126.404 122.820 -0.019 0.000 2.380 306 A HA 0.857 5.178 4.320 0.002 0.000 0.315 306 A C -0.639 176.981 177.584 0.060 0.000 1.101 306 A CA -0.701 51.351 52.037 0.025 0.000 0.771 306 A CB 1.615 20.617 19.000 0.003 0.000 1.287 306 A HN 0.714 nan 8.150 nan 0.000 0.436 307 T N 1.093 115.721 114.554 0.124 0.000 3.031 307 T HA 0.486 4.837 4.350 0.002 0.000 0.305 307 T C -0.773 174.055 174.700 0.214 0.000 0.985 307 T CA -0.344 61.844 62.100 0.147 0.000 1.008 307 T CB 1.055 70.010 68.868 0.146 0.000 1.005 307 T HN 0.520 nan 8.240 nan 0.000 0.444 308 V N 4.489 124.511 119.914 0.180 0.000 2.617 308 V HA 0.598 4.719 4.120 0.002 0.000 0.298 308 V C -0.106 176.119 176.094 0.219 0.000 1.048 308 V CA -0.839 61.566 62.300 0.174 0.000 0.964 308 V CB 1.526 33.463 31.823 0.190 0.000 1.004 308 V HN 0.780 nan 8.190 nan 0.000 0.466 309 I N 4.278 124.930 120.570 0.137 0.000 2.466 309 I HA 0.393 4.565 4.170 0.002 0.000 0.289 309 I C -0.281 175.817 176.117 -0.031 0.000 1.026 309 I CA -0.593 60.785 61.300 0.131 0.000 1.078 309 I CB 1.831 39.942 38.000 0.185 0.000 1.249 309 I HN 0.364 nan 8.210 nan 0.000 0.429 310 L N 4.808 126.027 121.223 -0.007 0.000 2.483 310 L HA 0.079 4.420 4.340 0.002 0.000 0.275 310 L C 1.203 178.050 176.870 -0.038 0.000 1.220 310 L CA 0.033 54.808 54.840 -0.108 0.000 0.833 310 L CB 0.154 42.232 42.059 0.031 0.000 1.102 310 L HN 0.670 nan 8.230 nan 0.000 0.490 311 H N -0.381 118.708 119.070 0.032 0.000 2.545 311 H HA -0.094 4.463 4.556 0.002 0.000 0.282 311 H C 1.983 177.343 175.328 0.053 0.000 1.020 311 H CA 0.944 57.014 56.048 0.037 0.000 1.243 311 H CB 0.307 30.082 29.762 0.022 0.000 1.377 311 H HN 0.736 nan 8.280 nan 0.000 0.581 312 S N -1.066 114.737 115.700 0.172 0.000 2.527 312 S HA 0.080 4.551 4.470 0.002 0.000 0.222 312 S C 2.021 176.691 174.600 0.117 0.000 0.985 312 S CA 0.337 58.618 58.200 0.134 0.000 0.921 312 S CB 0.205 63.484 63.200 0.132 0.000 0.772 312 S HN 0.606 nan 8.310 nan 0.000 0.529 313 G N 1.049 109.921 108.800 0.120 0.000 2.189 313 G HA2 -0.351 3.611 3.960 0.002 0.000 0.267 313 G HA3 -0.351 3.611 3.960 0.002 0.000 0.267 313 G C 0.980 175.942 174.900 0.103 0.000 0.975 313 G CA 0.681 45.846 45.100 0.108 0.000 0.644 313 G HN 0.711 nan 8.290 nan 0.000 0.537 314 S N -0.631 115.140 115.700 0.118 0.000 2.357 314 S HA 0.244 4.715 4.470 0.002 0.000 0.221 314 S C 0.669 175.340 174.600 0.118 0.000 1.031 314 S CA 1.305 59.574 58.200 0.115 0.000 0.982 314 S CB 0.251 63.532 63.200 0.134 0.000 0.853 314 S HN 0.616 nan 8.310 nan 0.000 0.458 315 D N -0.456 120.039 120.400 0.158 0.000 2.896 315 D HA 0.582 5.224 4.640 0.002 0.000 0.241 315 D C -1.158 175.242 176.300 0.167 0.000 1.188 315 D CA -0.229 53.860 54.000 0.148 0.000 0.879 315 D CB 1.387 42.305 40.800 0.196 0.000 1.553 315 D HN 0.020 nan 8.370 nan 0.000 0.515 316 M N 2.546 122.176 119.600 0.050 0.000 2.578 316 M HA 0.664 5.145 4.480 0.002 0.000 0.321 316 M C -1.412 174.808 176.300 -0.133 0.000 1.182 316 M CA -0.826 54.499 55.300 0.041 0.000 0.965 316 M CB 2.011 34.632 32.600 0.034 0.000 1.694 316 M HN 0.182 nan 8.290 nan 0.000 0.461 317 V N 2.759 122.604 119.914 -0.115 0.000 2.668 317 V HA 0.354 4.475 4.120 0.002 0.000 0.304 317 V C -0.905 175.149 176.094 -0.068 0.000 1.071 317 V CA -0.843 61.324 62.300 -0.221 0.000 0.894 317 V CB 1.921 33.426 31.823 -0.531 0.000 1.008 317 V HN 0.835 nan 8.190 nan 0.000 0.425 318 Q N 1.913 121.673 119.800 -0.066 0.000 2.193 318 Q HA 0.896 5.237 4.340 0.002 0.000 0.246 318 Q C -0.331 175.646 176.000 -0.038 0.000 0.959 318 Q CA -0.400 55.386 55.803 -0.027 0.000 0.904 318 Q CB 2.246 30.972 28.738 -0.021 0.000 1.238 318 Q HN 1.044 nan 8.270 nan 0.000 0.469 319 A N 1.552 124.361 122.820 -0.019 0.000 2.590 319 A HA 0.454 4.775 4.320 0.002 0.000 0.296 319 A C -1.888 175.687 177.584 -0.016 0.000 1.050 319 A CA -0.658 51.365 52.037 -0.022 0.000 0.697 319 A CB 1.630 20.615 19.000 -0.025 0.000 1.277 319 A HN 0.715 nan 8.150 nan 0.000 0.411 320 E N 1.099 121.291 120.200 -0.014 0.000 2.291 320 E HA 0.571 4.922 4.350 0.002 0.000 0.276 320 E C -0.937 175.658 176.600 -0.008 0.000 0.896 320 E CA -0.791 55.604 56.400 -0.009 0.000 0.774 320 E CB 1.573 31.286 29.700 0.021 0.000 1.227 320 E HN 0.711 nan 8.360 nan 0.000 0.413 321 R N 2.496 122.983 120.500 -0.021 0.000 2.265 321 R HA 0.394 4.735 4.340 0.002 0.000 0.314 321 R C -1.236 175.080 176.300 0.027 0.000 1.053 321 R CA 0.042 56.138 56.100 -0.007 0.000 0.931 321 R CB 1.234 31.520 30.300 -0.022 0.000 1.024 321 R HN 0.457 nan 8.270 nan 0.000 0.457 322 S N 2.207 117.927 115.700 0.034 0.000 2.718 322 S HA 0.572 5.043 4.470 0.002 0.000 0.300 322 S C -0.195 174.442 174.600 0.061 0.000 1.117 322 S CA -0.456 57.774 58.200 0.050 0.000 1.002 322 S CB 1.629 64.819 63.200 -0.016 0.000 1.092 322 S HN 0.944 nan 8.310 nan 0.000 0.542 323 G N 1.086 109.929 108.800 0.071 0.000 2.332 323 G HA2 -0.240 3.721 3.960 0.002 0.000 0.277 323 G HA3 -0.240 3.721 3.960 0.002 0.000 0.277 323 G C -0.303 174.654 174.900 0.096 0.000 0.884 323 G CA 0.108 45.255 45.100 0.078 0.000 1.251 323 G HN 0.561 nan 8.290 nan 0.000 0.462 324 I N 1.842 122.483 120.570 0.119 0.000 2.371 324 I HA 0.246 4.417 4.170 0.002 0.000 0.290 324 I C -1.806 174.411 176.117 0.167 0.000 1.028 324 I CA -2.332 59.048 61.300 0.134 0.000 1.345 324 I CB 1.508 39.581 38.000 0.122 0.000 1.407 324 I HN 0.019 nan 8.210 nan 0.000 0.501 325 P HA 0.250 nan 4.420 nan 0.000 0.279 325 P C -0.624 176.825 177.300 0.249 0.000 1.239 325 P CA -0.181 63.031 63.100 0.186 0.000 0.789 325 P CB 0.597 32.389 31.700 0.152 0.000 0.933 326 I N 3.418 124.116 120.570 0.212 0.000 2.301 326 I HA 0.274 4.446 4.170 0.002 0.000 0.292 326 I C 0.281 176.506 176.117 0.181 0.000 1.046 326 I CA -0.498 60.947 61.300 0.242 0.000 1.282 326 I CB 0.534 38.658 38.000 0.207 0.000 1.409 326 I HN 0.105 nan 8.210 nan 0.000 0.484 327 V N 1.528 121.565 119.914 0.206 0.000 3.007 327 V HA 0.513 4.634 4.120 0.002 0.000 0.311 327 V C 0.547 176.761 176.094 0.201 0.000 1.120 327 V CA -0.500 61.888 62.300 0.147 0.000 0.980 327 V CB 1.464 33.323 31.823 0.060 0.000 1.033 327 V HN 0.739 nan 8.190 nan 0.000 0.429 328 T N -1.871 112.779 114.554 0.160 0.000 3.037 328 T HA 0.239 4.591 4.350 0.002 0.000 0.252 328 T C 0.814 175.656 174.700 0.237 0.000 1.073 328 T CA 0.787 63.034 62.100 0.244 0.000 1.091 328 T CB 0.152 69.104 68.868 0.141 0.000 0.935 328 T HN 1.041 nan 8.240 nan 0.000 0.488 329 S N 0.998 116.721 115.700 0.037 0.000 2.536 329 S HA 0.552 5.023 4.470 0.002 0.000 0.287 329 S C -2.365 172.013 174.600 -0.369 0.000 1.101 329 S CA -1.587 56.538 58.200 -0.125 0.000 0.950 329 S CB 1.921 65.064 63.200 -0.095 0.000 1.056 329 S HN -0.145 nan 8.310 nan 0.000 0.481 330 P HA 0.050 nan 4.420 nan 0.000 0.217 330 P C -0.709 176.012 177.300 -0.966 0.000 1.150 330 P CA 1.241 63.597 63.100 -1.241 0.000 0.832 330 P CB -0.014 30.892 31.700 -1.323 0.000 0.787 331 Y N -1.422 118.672 120.300 -0.343 0.000 2.496 331 Y HA 0.549 5.100 4.550 0.002 0.000 0.331 331 Y C 0.964 176.711 175.900 -0.255 0.000 1.140 331 Y CA -0.824 57.112 58.100 -0.274 0.000 1.166 331 Y CB 0.868 39.191 38.460 -0.229 0.000 1.249 331 Y HN -0.246 nan 8.280 nan 0.000 0.479 332 Q N 1.133 120.869 119.800 -0.106 0.000 2.359 332 Q HA 0.707 5.048 4.340 0.002 0.000 0.275 332 Q C -1.483 174.272 176.000 -0.409 0.000 1.082 332 Q CA -0.925 54.730 55.803 -0.247 0.000 0.849 332 Q CB 2.664 31.282 28.738 -0.201 0.000 1.377 332 Q HN 0.607 nan 8.270 nan 0.000 0.452 333 I N 2.048 122.230 120.570 -0.645 0.000 2.478 333 I HA 0.363 4.534 4.170 0.002 0.000 0.287 333 I C -1.115 174.452 176.117 -0.917 0.000 1.042 333 I CA -0.658 60.242 61.300 -0.667 0.000 1.067 333 I CB 1.354 39.063 38.000 -0.485 0.000 1.233 333 I HN 0.485 nan 8.210 nan 0.000 0.431 334 H N 6.236 125.085 119.070 -0.367 0.000 2.600 334 H HA 0.354 4.911 4.556 0.002 0.000 0.357 334 H C -0.754 174.418 175.328 -0.259 0.000 1.106 334 H CA -0.581 55.320 56.048 -0.245 0.000 1.193 334 H CB 2.232 32.059 29.762 0.108 0.000 1.594 334 H HN 0.447 nan 8.280 nan 0.000 0.526 335 F N 0.593 120.643 119.950 0.165 0.000 2.668 335 F HA 0.036 4.564 4.527 0.002 0.000 0.301 335 F C 2.015 177.839 175.800 0.039 0.000 1.106 335 F CA -0.203 57.841 58.000 0.074 0.000 1.289 335 F CB 0.231 39.260 39.000 0.048 0.000 1.006 335 F HN 0.462 nan 8.300 nan 0.000 0.535 336 T N -3.819 110.839 114.554 0.174 0.000 3.148 336 T HA 0.029 4.380 4.350 0.002 0.000 0.253 336 T C 1.409 176.055 174.700 -0.089 0.000 1.134 336 T CA 0.541 62.677 62.100 0.061 0.000 1.051 336 T CB -0.137 68.755 68.868 0.040 0.000 0.959 336 T HN 0.197 nan 8.240 nan 0.000 0.525 337 K N 0.499 120.806 120.400 -0.154 0.000 2.358 337 K HA 0.197 4.518 4.320 0.002 0.000 0.200 337 K C -0.116 176.339 176.600 -0.241 0.000 1.030 337 K CA -0.023 56.039 56.287 -0.376 0.000 1.097 337 K CB 0.863 33.049 32.500 -0.523 0.000 0.862 337 K HN 0.202 nan 8.250 nan 0.000 0.534 338 T N 2.832 117.353 114.554 -0.056 0.000 2.829 338 T HA 0.294 4.645 4.350 0.002 0.000 0.282 338 T C -2.568 172.170 174.700 0.063 0.000 0.990 338 T CA -1.789 60.309 62.100 -0.003 0.000 1.028 338 T CB 1.917 70.822 68.868 0.061 0.000 0.951 338 T HN -0.127 nan 8.240 nan 0.000 0.460 339 P HA 0.189 nan 4.420 nan 0.000 0.272 339 P C 0.190 177.540 177.300 0.082 0.000 1.248 339 P CA -0.330 62.850 63.100 0.134 0.000 0.799 339 P CB 0.486 32.330 31.700 0.240 0.000 0.997 340 K N 0.029 120.359 120.400 -0.117 0.000 2.646 340 K HA 0.284 4.605 4.320 0.002 0.000 0.206 340 K C -0.954 175.349 176.600 -0.494 0.000 1.069 340 K CA -0.120 55.978 56.287 -0.315 0.000 1.067 340 K CB 0.047 32.285 32.500 -0.436 0.000 0.807 340 K HN 0.433 nan 8.250 nan 0.000 0.482 341 Y N 0.245 120.552 120.300 0.012 0.000 2.399 341 Y HA 0.301 4.852 4.550 0.002 0.000 0.327 341 Y C -0.303 175.518 175.900 -0.131 0.000 1.111 341 Y CA -2.222 55.864 58.100 -0.022 0.000 1.047 341 Y CB 0.861 39.336 38.460 0.025 0.000 1.259 341 Y HN 0.036 nan 8.280 nan 0.000 0.434 342 F N 0.157 119.943 119.950 -0.273 0.000 2.631 342 F HA 0.971 5.499 4.527 0.002 0.000 0.350 342 F C -1.165 174.466 175.800 -0.281 0.000 1.080 342 F CA -1.494 56.231 58.000 -0.458 0.000 1.026 342 F CB 1.376 39.902 39.000 -0.790 0.000 1.347 342 F HN 0.115 nan 8.300 nan 0.000 0.501 343 K N 1.599 121.695 120.400 -0.507 0.000 2.339 343 K HA 0.454 4.776 4.320 0.002 0.000 0.264 343 K C -2.889 173.369 176.600 -0.570 0.000 0.986 343 K CA -2.128 53.698 56.287 -0.767 0.000 0.866 343 K CB 1.164 33.275 32.500 -0.649 0.000 1.103 343 K HN 0.240 nan 8.250 nan 0.000 0.441 344 P HA 0.030 nan 4.420 nan 0.000 0.264 344 P C 0.783 178.050 177.300 -0.055 0.000 1.193 344 P CA 0.750 63.775 63.100 -0.123 0.000 0.763 344 P CB 0.866 32.500 31.700 -0.109 0.000 0.810 345 G N 2.332 111.163 108.800 0.051 0.000 2.317 345 G HA2 -0.239 3.722 3.960 0.002 0.000 0.227 345 G HA3 -0.239 3.722 3.960 0.002 0.000 0.227 345 G C 0.170 175.059 174.900 -0.018 0.000 1.042 345 G CA -0.238 44.870 45.100 0.012 0.000 0.623 345 G HN 0.467 nan 8.290 nan 0.000 0.509 346 M N 1.795 121.361 119.600 -0.056 0.000 2.274 346 M HA 0.376 4.857 4.480 0.002 0.000 0.344 346 M C -2.482 173.760 176.300 -0.097 0.000 1.161 346 M CA -1.583 53.652 55.300 -0.108 0.000 1.126 346 M CB 0.765 33.225 32.600 -0.233 0.000 1.522 346 M HN -0.082 nan 8.290 nan 0.000 0.461 347 P HA 0.044 nan 4.420 nan 0.000 0.268 347 P C -1.129 176.170 177.300 -0.002 0.000 1.204 347 P CA 0.106 63.194 63.100 -0.022 0.000 0.768 347 P CB 0.186 31.897 31.700 0.019 0.000 0.842 348 F N 3.549 123.440 119.950 -0.099 0.000 2.411 348 F HA 0.296 4.824 4.527 0.002 0.000 0.352 348 F C -0.360 175.426 175.800 -0.022 0.000 1.123 348 F CA -1.433 56.529 58.000 -0.063 0.000 1.044 348 F CB 0.576 39.534 39.000 -0.069 0.000 1.135 348 F HN 0.154 nan 8.300 nan 0.000 0.461 349 D N 6.742 126.962 120.400 -0.300 0.000 2.336 349 D HA 0.246 4.887 4.640 0.002 0.000 0.249 349 D C -0.539 175.347 176.300 -0.691 0.000 1.213 349 D CA 0.176 53.960 54.000 -0.360 0.000 0.870 349 D CB 0.911 41.621 40.800 -0.151 0.000 1.076 349 D HN 0.334 nan 8.370 nan 0.000 0.483 350 L N 3.026 123.913 121.223 -0.560 0.000 2.265 350 L HA 0.269 4.611 4.340 0.002 0.000 0.288 350 L C 0.366 177.097 176.870 -0.232 0.000 1.058 350 L CA -0.073 54.482 54.840 -0.474 0.000 0.809 350 L CB 0.842 42.718 42.059 -0.305 0.000 1.179 350 L HN 0.198 nan 8.230 nan 0.000 0.429 351 M N 4.738 124.230 119.600 -0.180 0.000 2.754 351 M HA 0.267 4.748 4.480 0.002 0.000 0.327 351 M C -0.700 175.602 176.300 0.002 0.000 1.288 351 M CA -0.391 54.845 55.300 -0.107 0.000 1.324 351 M CB 0.546 33.045 32.600 -0.167 0.000 1.169 351 M HN 0.129 nan 8.290 nan 0.000 0.494 352 V N 3.321 123.255 119.914 0.033 0.000 2.583 352 V HA 0.223 4.344 4.120 0.002 0.000 0.287 352 V C -0.276 175.883 176.094 0.108 0.000 1.051 352 V CA -0.338 62.008 62.300 0.077 0.000 1.010 352 V CB 1.023 32.866 31.823 0.034 0.000 0.988 352 V HN 0.496 nan 8.190 nan 0.000 0.478 353 F N 5.662 125.564 119.950 -0.080 0.000 2.388 353 F HA 0.614 5.143 4.527 0.002 0.000 0.358 353 F C -0.233 175.554 175.800 -0.022 0.000 1.122 353 F CA -1.103 56.873 58.000 -0.040 0.000 1.056 353 F CB 1.430 40.428 39.000 -0.004 0.000 1.155 353 F HN 0.207 nan 8.300 nan 0.000 0.461 354 V N 5.722 125.445 119.914 -0.319 0.000 2.304 354 V HA 0.304 4.426 4.120 0.002 0.000 0.278 354 V C -0.144 175.699 176.094 -0.420 0.000 1.018 354 V CA -0.580 61.513 62.300 -0.346 0.000 0.814 354 V CB 1.267 32.949 31.823 -0.235 0.000 1.021 354 V HN 0.845 nan 8.190 nan 0.000 0.440 355 T N 1.600 115.901 114.554 -0.422 0.000 2.875 355 T HA 0.450 4.801 4.350 0.002 0.000 0.284 355 T C 0.206 174.840 174.700 -0.111 0.000 0.995 355 T CA -0.814 61.100 62.100 -0.309 0.000 1.060 355 T CB 1.216 69.930 68.868 -0.258 0.000 0.967 355 T HN 0.413 nan 8.240 nan 0.000 0.476 356 N N 2.753 121.417 118.700 -0.060 0.000 2.260 356 N HA 0.129 4.870 4.740 0.002 0.000 0.230 356 N C -1.579 173.877 175.510 -0.089 0.000 1.323 356 N CA -1.515 51.493 53.050 -0.069 0.000 0.897 356 N CB 0.324 38.803 38.487 -0.013 0.000 1.146 356 N HN 0.400 nan 8.380 nan 0.000 0.460 357 P HA -0.145 nan 4.420 nan 0.000 0.213 357 P C 0.703 178.006 177.300 0.006 0.000 1.170 357 P CA 1.490 64.543 63.100 -0.079 0.000 0.898 357 P CB 0.004 31.656 31.700 -0.079 0.000 0.787 358 D N -0.917 119.509 120.400 0.043 0.000 2.303 358 D HA -0.194 4.448 4.640 0.002 0.000 0.190 358 D C 1.660 177.985 176.300 0.041 0.000 1.011 358 D CA 2.631 56.665 54.000 0.056 0.000 0.860 358 D CB -1.337 39.503 40.800 0.067 0.000 0.961 358 D HN 0.381 nan 8.370 nan 0.000 0.453 359 G N -1.491 107.327 108.800 0.029 0.000 4.080 359 G HA2 -0.005 3.957 3.960 0.002 0.000 0.219 359 G HA3 -0.005 3.957 3.960 0.002 0.000 0.219 359 G C 0.076 174.987 174.900 0.019 0.000 0.843 359 G CA 0.405 45.520 45.100 0.026 0.000 0.856 359 G HN 0.794 nan 8.290 nan 0.000 0.616 360 S N 2.398 118.113 115.700 0.025 0.000 2.549 360 S HA 0.533 5.004 4.470 0.002 0.000 0.283 360 S C -2.019 172.580 174.600 -0.003 0.000 1.320 360 S CA -0.808 57.413 58.200 0.036 0.000 1.058 360 S CB 1.293 64.522 63.200 0.048 0.000 0.882 360 S HN 0.186 nan 8.310 nan 0.000 0.498 361 P HA 0.151 nan 4.420 nan 0.000 0.262 361 P C -0.807 176.516 177.300 0.038 0.000 1.182 361 P CA 0.064 63.170 63.100 0.011 0.000 0.761 361 P CB 0.260 32.039 31.700 0.131 0.000 0.795 362 A N 4.569 127.398 122.820 0.015 0.000 2.260 362 A HA 0.364 4.686 4.320 0.002 0.000 0.314 362 A C -0.751 176.895 177.584 0.103 0.000 1.257 362 A CA -0.749 51.337 52.037 0.081 0.000 0.871 362 A CB 0.170 19.238 19.000 0.113 0.000 1.166 362 A HN 0.601 nan 8.150 nan 0.000 0.522 363 Y N 2.377 122.682 120.300 0.008 0.000 2.301 363 Y HA 0.422 4.973 4.550 0.002 0.000 0.325 363 Y C 1.257 177.141 175.900 -0.027 0.000 1.203 363 Y CA 0.095 58.190 58.100 -0.008 0.000 1.255 363 Y CB 0.489 38.953 38.460 0.006 0.000 1.232 363 Y HN 0.915 nan 8.280 nan 0.000 0.501 364 R N 1.808 121.766 120.500 -0.903 0.000 3.951 364 R HA -0.185 4.156 4.340 0.002 0.000 0.352 364 R C -1.026 175.023 176.300 -0.419 0.000 1.178 364 R CA 0.717 56.294 56.100 -0.872 0.000 0.949 364 R CB -1.669 28.034 30.300 -0.994 0.000 1.452 364 R HN 0.421 nan 8.270 nan 0.000 0.540 365 V N 2.380 122.092 119.914 -0.336 0.000 2.488 365 V HA 0.375 4.497 4.120 0.002 0.000 0.277 365 V C -1.827 174.087 176.094 -0.301 0.000 1.046 365 V CA -1.633 60.448 62.300 -0.364 0.000 0.986 365 V CB 1.201 32.705 31.823 -0.531 0.000 0.989 365 V HN -0.008 nan 8.190 nan 0.000 0.475 366 P HA 0.313 nan 4.420 nan 0.000 0.275 366 P C -0.880 176.303 177.300 -0.194 0.000 1.227 366 P CA 0.165 63.146 63.100 -0.198 0.000 0.781 366 P CB 1.423 33.025 31.700 -0.163 0.000 0.906 367 V N -1.017 118.811 119.914 -0.143 0.000 3.049 367 V HA 0.987 5.108 4.120 0.002 0.000 0.309 367 V C -1.172 174.875 176.094 -0.078 0.000 1.148 367 V CA -1.054 61.176 62.300 -0.117 0.000 0.990 367 V CB 1.578 33.334 31.823 -0.112 0.000 1.039 367 V HN 0.870 nan 8.190 nan 0.000 0.430 368 A N 2.141 124.926 122.820 -0.058 0.000 2.564 368 A HA 0.914 5.235 4.320 0.002 0.000 0.291 368 A C -0.968 176.604 177.584 -0.020 0.000 1.102 368 A CA -0.226 51.787 52.037 -0.040 0.000 0.660 368 A CB 1.304 20.278 19.000 -0.043 0.000 1.283 368 A HN 1.745 nan 8.150 nan 0.000 0.430 369 V N 0.332 120.237 119.914 -0.015 0.000 3.234 369 V HA 0.318 4.439 4.120 0.002 0.000 0.317 369 V C 1.722 177.811 176.094 -0.007 0.000 1.081 369 V CA 0.189 62.487 62.300 -0.003 0.000 1.037 369 V CB 1.356 33.174 31.823 -0.009 0.000 1.148 369 V HN 1.126 nan 8.190 nan 0.000 0.453 370 Q N 1.965 121.763 119.800 -0.003 0.000 1.935 370 Q HA -0.157 4.184 4.340 0.002 0.000 0.212 370 Q C 1.909 177.903 176.000 -0.010 0.000 1.008 370 Q CA 2.779 58.578 55.803 -0.007 0.000 0.868 370 Q CB -1.328 27.405 28.738 -0.007 0.000 0.946 370 Q HN 0.945 nan 8.270 nan 0.000 0.418 371 G N 0.447 109.240 108.800 -0.010 0.000 2.628 371 G HA2 -0.223 3.739 3.960 0.002 0.000 0.217 371 G HA3 -0.223 3.739 3.960 0.002 0.000 0.217 371 G C -0.008 174.887 174.900 -0.008 0.000 1.240 371 G CA 0.889 45.984 45.100 -0.008 0.000 0.792 371 G HN 0.463 nan 8.290 nan 0.000 0.593 372 E N 1.106 121.301 120.200 -0.009 0.000 2.200 372 E HA 0.175 4.526 4.350 0.002 0.000 0.283 372 E C 0.069 176.659 176.600 -0.016 0.000 1.015 372 E CA -0.414 55.979 56.400 -0.011 0.000 0.819 372 E CB 1.522 31.216 29.700 -0.010 0.000 1.081 372 E HN 0.224 nan 8.360 nan 0.000 0.397 373 D N 1.431 121.822 120.400 -0.016 0.000 2.183 373 D HA -0.115 4.527 4.640 0.002 0.000 0.203 373 D C 1.666 177.953 176.300 -0.023 0.000 0.969 373 D CA 1.117 55.105 54.000 -0.020 0.000 0.842 373 D CB -0.014 40.776 40.800 -0.017 0.000 0.957 373 D HN 0.362 nan 8.370 nan 0.000 0.484 374 T N 0.087 114.629 114.554 -0.020 0.000 2.942 374 T HA -0.040 4.311 4.350 0.002 0.000 0.265 374 T C 0.888 175.572 174.700 -0.026 0.000 1.062 374 T CA 0.085 62.172 62.100 -0.022 0.000 1.139 374 T CB -0.086 68.772 68.868 -0.017 0.000 0.883 374 T HN -0.044 nan 8.240 nan 0.000 0.468 375 V N 2.776 122.674 119.914 -0.026 0.000 2.450 375 V HA 0.355 4.476 4.120 0.002 0.000 0.281 375 V C -0.512 175.559 176.094 -0.038 0.000 1.019 375 V CA 0.128 62.410 62.300 -0.031 0.000 1.062 375 V CB 0.468 32.273 31.823 -0.030 0.000 0.979 375 V HN 0.478 nan 8.190 nan 0.000 0.477 376 Q N 4.396 124.170 119.800 -0.043 0.000 2.495 376 Q HA 0.750 5.091 4.340 0.002 0.000 0.287 376 Q C -1.216 174.750 176.000 -0.057 0.000 1.078 376 Q CA -0.601 55.169 55.803 -0.054 0.000 0.793 376 Q CB 2.591 31.294 28.738 -0.057 0.000 1.459 376 Q HN 0.969 nan 8.270 nan 0.000 0.422 377 S N 0.376 116.034 115.700 -0.069 0.000 2.570 377 S HA 0.448 4.919 4.470 0.002 0.000 0.286 377 S C -0.997 173.550 174.600 -0.089 0.000 1.143 377 S CA -0.744 57.414 58.200 -0.069 0.000 0.921 377 S CB 0.543 63.707 63.200 -0.060 0.000 1.108 377 S HN 0.546 nan 8.310 nan 0.000 0.456 378 L N 1.830 122.996 121.223 -0.094 0.000 2.598 378 L HA 0.536 4.878 4.340 0.002 0.000 0.202 378 L C 0.402 177.211 176.870 -0.103 0.000 1.190 378 L CA -0.691 54.071 54.840 -0.131 0.000 0.869 378 L CB 0.394 42.356 42.059 -0.162 0.000 1.529 378 L HN 0.820 nan 8.230 nan 0.000 0.520 379 T N 0.155 114.635 114.554 -0.122 0.000 2.833 379 T HA 0.319 4.670 4.350 0.002 0.000 0.297 379 T C -0.329 174.441 174.700 0.117 0.000 1.015 379 T CA -0.663 61.419 62.100 -0.030 0.000 0.963 379 T CB 1.260 70.094 68.868 -0.056 0.000 0.955 379 T HN 0.367 nan 8.240 nan 0.000 0.449 380 Q N 1.146 121.040 119.800 0.157 0.000 2.651 380 Q HA 0.268 4.609 4.340 0.002 0.000 0.224 380 Q C 1.802 177.966 176.000 0.273 0.000 1.094 380 Q CA -0.179 55.780 55.803 0.260 0.000 1.018 380 Q CB 0.283 29.086 28.738 0.109 0.000 1.292 380 Q HN 0.871 nan 8.270 nan 0.000 0.588 381 G N 0.953 109.782 108.800 0.048 0.000 2.601 381 G HA2 -0.223 3.738 3.960 0.002 0.000 0.214 381 G HA3 -0.223 3.738 3.960 0.002 0.000 0.214 381 G C 0.255 175.157 174.900 0.002 0.000 1.132 381 G CA 0.999 46.013 45.100 -0.144 0.000 0.761 381 G HN 0.736 nan 8.290 nan 0.000 0.550 382 D N -1.368 119.073 120.400 0.068 0.000 2.402 382 D HA 0.219 4.860 4.640 0.002 0.000 0.216 382 D C 1.438 177.846 176.300 0.179 0.000 1.128 382 D CA -0.172 53.881 54.000 0.088 0.000 0.833 382 D CB -0.553 40.273 40.800 0.042 0.000 0.971 382 D HN 0.265 nan 8.370 nan 0.000 0.503 383 G N 0.044 108.948 108.800 0.174 0.000 2.273 383 G HA2 -0.203 3.758 3.960 0.002 0.000 0.280 383 G HA3 -0.203 3.758 3.960 0.002 0.000 0.280 383 G C -0.121 174.915 174.900 0.227 0.000 1.047 383 G CA 0.490 45.687 45.100 0.162 0.000 0.869 383 G HN 0.398 nan 8.290 nan 0.000 0.502 384 V N -0.554 119.450 119.914 0.151 0.000 2.735 384 V HA 0.897 5.018 4.120 0.002 0.000 0.310 384 V C 0.279 176.394 176.094 0.034 0.000 1.061 384 V CA -0.348 62.014 62.300 0.104 0.000 0.913 384 V CB 2.060 33.907 31.823 0.040 0.000 1.005 384 V HN 1.326 nan 8.190 nan 0.000 0.428 385 A N 3.474 126.297 122.820 0.004 0.000 2.343 385 A HA 0.792 5.113 4.320 0.002 0.000 0.308 385 A C -0.696 176.859 177.584 -0.049 0.000 1.092 385 A CA -0.779 51.240 52.037 -0.029 0.000 0.751 385 A CB 1.350 20.320 19.000 -0.049 0.000 1.203 385 A HN 0.803 nan 8.150 nan 0.000 0.452 386 K N 3.178 123.544 120.400 -0.058 0.000 2.264 386 K HA 0.646 4.968 4.320 0.002 0.000 0.277 386 K C -1.530 175.022 176.600 -0.080 0.000 1.067 386 K CA 0.113 56.353 56.287 -0.079 0.000 0.900 386 K CB 0.124 32.581 32.500 -0.073 0.000 1.124 386 K HN 0.609 nan 8.250 nan 0.000 0.469 387 L N 3.519 124.683 121.223 -0.100 0.000 2.365 387 L HA 0.500 4.841 4.340 0.002 0.000 0.273 387 L C -0.759 176.036 176.870 -0.124 0.000 1.000 387 L CA -0.764 54.021 54.840 -0.092 0.000 0.819 387 L CB 2.304 44.318 42.059 -0.076 0.000 1.284 387 L HN 0.846 nan 8.230 nan 0.000 0.418 388 S N 3.491 119.137 115.700 -0.090 0.000 2.519 388 S HA 0.754 5.226 4.470 0.002 0.000 0.309 388 S C -0.648 173.924 174.600 -0.047 0.000 1.100 388 S CA -0.760 57.390 58.200 -0.084 0.000 1.059 388 S CB 1.496 64.665 63.200 -0.051 0.000 1.008 388 S HN 0.529 nan 8.310 nan 0.000 0.478 389 I N 0.286 120.840 120.570 -0.026 0.000 2.404 389 I HA 0.615 4.786 4.170 0.002 0.000 0.293 389 I C -0.671 175.448 176.117 0.002 0.000 0.992 389 I CA -1.130 60.164 61.300 -0.009 0.000 1.149 389 I CB 1.539 39.537 38.000 -0.004 0.000 1.315 389 I HN 0.644 nan 8.210 nan 0.000 0.446 390 N N 3.369 122.051 118.700 -0.030 0.000 2.442 390 N HA 0.160 4.901 4.740 0.002 0.000 0.265 390 N C -0.279 175.175 175.510 -0.093 0.000 1.138 390 N CA -0.265 52.752 53.050 -0.055 0.000 0.956 390 N CB 1.252 39.692 38.487 -0.078 0.000 1.067 390 N HN 0.792 nan 8.380 nan 0.000 0.474 391 T N 1.448 115.966 114.554 -0.059 0.000 2.934 391 T HA 0.178 4.530 4.350 0.002 0.000 0.283 391 T C -0.438 174.230 174.700 -0.055 0.000 1.005 391 T CA -0.612 61.463 62.100 -0.042 0.000 1.041 391 T CB 0.289 69.177 68.868 0.033 0.000 1.042 391 T HN 0.527 nan 8.240 nan 0.000 0.505 392 H N 3.455 122.555 119.070 0.051 0.000 2.548 392 H HA 0.232 4.789 4.556 0.002 0.000 0.331 392 H C -1.833 173.557 175.328 0.102 0.000 1.093 392 H CA -1.871 54.214 56.048 0.062 0.000 1.367 392 H CB 1.300 31.085 29.762 0.038 0.000 1.455 392 H HN 0.486 nan 8.280 nan 0.000 0.519 393 P HA -0.059 nan 4.420 nan 0.000 0.246 393 P C -0.235 177.146 177.300 0.135 0.000 1.675 393 P CA 0.136 63.318 63.100 0.136 0.000 0.908 393 P CB -0.603 31.164 31.700 0.112 0.000 1.890 394 S N -0.086 115.710 115.700 0.159 0.000 2.449 394 S HA 0.256 4.727 4.470 0.002 0.000 0.310 394 S C 0.537 175.202 174.600 0.108 0.000 1.096 394 S CA -0.715 57.553 58.200 0.114 0.000 1.095 394 S CB 1.238 64.493 63.200 0.091 0.000 1.007 394 S HN -0.090 nan 8.310 nan 0.000 0.474 395 Q N 2.278 122.118 119.800 0.067 0.000 2.800 395 Q HA 0.192 4.533 4.340 0.002 0.000 0.261 395 Q C -0.375 175.659 176.000 0.057 0.000 1.093 395 Q CA 0.459 56.290 55.803 0.047 0.000 0.943 395 Q CB -0.638 28.114 28.738 0.025 0.000 1.591 395 Q HN 0.681 nan 8.270 nan 0.000 0.429 396 K N 1.054 121.513 120.400 0.097 0.000 2.345 396 K HA 0.422 4.743 4.320 0.002 0.000 0.255 396 K C -2.635 174.049 176.600 0.140 0.000 0.934 396 K CA -2.130 54.209 56.287 0.087 0.000 0.801 396 K CB 1.580 34.112 32.500 0.054 0.000 1.137 396 K HN -0.099 nan 8.250 nan 0.000 0.424 397 P HA -0.115 nan 4.420 nan 0.000 0.263 397 P C -1.180 176.157 177.300 0.062 0.000 1.175 397 P CA -0.172 63.004 63.100 0.127 0.000 0.761 397 P CB 0.345 32.089 31.700 0.073 0.000 0.794 398 L N 3.341 124.563 121.223 -0.001 0.000 2.272 398 L HA 0.369 4.710 4.340 0.002 0.000 0.284 398 L C 0.017 176.770 176.870 -0.194 0.000 1.045 398 L CA -0.062 54.640 54.840 -0.230 0.000 0.842 398 L CB 0.477 42.081 42.059 -0.758 0.000 1.224 398 L HN 0.166 nan 8.230 nan 0.000 0.430 399 S N 5.162 120.788 115.700 -0.124 0.000 2.489 399 S HA 0.682 5.153 4.470 0.002 0.000 0.277 399 S C -0.255 174.272 174.600 -0.122 0.000 1.230 399 S CA -0.450 57.686 58.200 -0.107 0.000 1.053 399 S CB -0.018 63.146 63.200 -0.060 0.000 0.955 399 S HN 0.464 nan 8.310 nan 0.000 0.488 400 I N 3.928 124.405 120.570 -0.154 0.000 2.530 400 I HA 0.449 4.620 4.170 0.002 0.000 0.297 400 I C -0.028 176.026 176.117 -0.104 0.000 1.011 400 I CA -0.260 60.958 61.300 -0.137 0.000 1.107 400 I CB 2.327 40.225 38.000 -0.170 0.000 1.285 400 I HN 0.435 nan 8.210 nan 0.000 0.436 401 T N 4.292 118.837 114.554 -0.015 0.000 2.937 401 T HA 0.601 4.952 4.350 0.002 0.000 0.297 401 T C -0.382 174.381 174.700 0.106 0.000 0.991 401 T CA -0.509 61.638 62.100 0.078 0.000 0.990 401 T CB 1.413 70.311 68.868 0.050 0.000 0.991 401 T HN 0.227 nan 8.240 nan 0.000 0.440 402 V N 3.078 123.123 119.914 0.219 0.000 2.966 402 V HA 0.751 4.872 4.120 0.002 0.000 0.317 402 V C 0.202 176.320 176.094 0.040 0.000 1.070 402 V CA -1.013 61.363 62.300 0.127 0.000 1.008 402 V CB 1.849 33.780 31.823 0.180 0.000 1.070 402 V HN 0.829 nan 8.190 nan 0.000 0.457 403 R N 0.680 121.171 120.500 -0.015 0.000 2.566 403 R HA 0.442 4.783 4.340 0.002 0.000 0.271 403 R C -0.537 175.714 176.300 -0.082 0.000 1.071 403 R CA -0.385 55.686 56.100 -0.047 0.000 0.915 403 R CB 1.973 32.254 30.300 -0.032 0.000 1.228 403 R HN 0.918 nan 8.270 nan 0.000 0.449 404 T N 1.637 116.126 114.554 -0.108 0.000 2.855 404 T HA 0.234 4.585 4.350 0.002 0.000 0.314 404 T C 0.137 174.765 174.700 -0.120 0.000 1.077 404 T CA -0.458 61.549 62.100 -0.156 0.000 1.095 404 T CB 0.626 69.386 68.868 -0.179 0.000 0.987 404 T HN 0.397 nan 8.240 nan 0.000 0.546 405 K N 1.060 121.374 120.400 -0.143 0.000 3.350 405 K HA 0.249 4.570 4.320 0.002 0.000 0.167 405 K C -0.675 175.860 176.600 -0.107 0.000 1.058 405 K CA -0.604 55.621 56.287 -0.103 0.000 0.783 405 K CB 1.150 33.597 32.500 -0.087 0.000 0.872 405 K HN 0.628 nan 8.250 nan 0.000 0.561 406 K N 1.564 121.903 120.400 -0.100 0.000 2.227 406 K HA 0.182 4.504 4.320 0.002 0.000 0.280 406 K C -0.031 176.543 176.600 -0.042 0.000 1.041 406 K CA -0.083 56.158 56.287 -0.077 0.000 0.905 406 K CB 0.753 33.230 32.500 -0.038 0.000 1.068 406 K HN 0.116 nan 8.250 nan 0.000 0.470 407 Q N 2.892 122.665 119.800 -0.044 0.000 2.395 407 Q HA -0.018 4.323 4.340 0.002 0.000 0.271 407 Q C -0.389 175.597 176.000 -0.023 0.000 1.026 407 Q CA 0.880 56.663 55.803 -0.033 0.000 0.900 407 Q CB 0.395 29.113 28.738 -0.033 0.000 1.266 407 Q HN 0.811 nan 8.270 nan 0.000 0.430 408 E N -0.856 119.329 120.200 -0.025 0.000 4.129 408 E HA -0.219 4.132 4.350 0.002 0.000 0.354 408 E C -1.087 175.490 176.600 -0.039 0.000 0.673 408 E CA 0.149 56.533 56.400 -0.026 0.000 1.347 408 E CB -0.634 29.055 29.700 -0.018 0.000 1.722 408 E HN 0.297 nan 8.360 nan 0.000 0.410 409 L N 1.201 122.401 121.223 -0.038 0.000 2.334 409 L HA 0.355 4.696 4.340 0.002 0.000 0.276 409 L C 0.411 177.247 176.870 -0.057 0.000 1.014 409 L CA -0.194 54.610 54.840 -0.060 0.000 0.815 409 L CB 1.806 43.845 42.059 -0.034 0.000 1.268 409 L HN 0.054 nan 8.230 nan 0.000 0.428 410 S N 1.067 116.723 115.700 -0.074 0.000 2.592 410 S HA 0.219 4.690 4.470 0.002 0.000 0.271 410 S C 0.771 175.338 174.600 -0.054 0.000 1.326 410 S CA -0.734 57.431 58.200 -0.059 0.000 1.024 410 S CB 0.910 64.073 63.200 -0.062 0.000 0.921 410 S HN 0.551 nan 8.310 nan 0.000 0.527 411 E N 1.096 121.270 120.200 -0.043 0.000 2.401 411 E HA -0.104 4.247 4.350 0.002 0.000 0.199 411 E C 1.880 178.456 176.600 -0.040 0.000 1.023 411 E CA 1.072 57.449 56.400 -0.039 0.000 0.859 411 E CB -0.587 29.094 29.700 -0.032 0.000 0.780 411 E HN 0.794 nan 8.360 nan 0.000 0.523 412 A N 0.905 123.697 122.820 -0.047 0.000 1.935 412 A HA -0.070 4.251 4.320 0.002 0.000 0.214 412 A C 1.933 179.488 177.584 -0.048 0.000 1.178 412 A CA 0.512 52.520 52.037 -0.049 0.000 0.640 412 A CB -0.087 18.873 19.000 -0.067 0.000 0.825 412 A HN 0.105 nan 8.150 nan 0.000 0.447 413 E N 0.312 120.473 120.200 -0.065 0.000 2.338 413 E HA -0.077 4.274 4.350 0.002 0.000 0.197 413 E C 0.186 176.748 176.600 -0.065 0.000 1.007 413 E CA 0.231 56.577 56.400 -0.090 0.000 0.849 413 E CB 0.016 29.599 29.700 -0.195 0.000 0.774 413 E HN 0.599 nan 8.360 nan 0.000 0.506 414 Q N 0.054 119.829 119.800 -0.041 0.000 2.394 414 Q HA 0.356 4.697 4.340 0.002 0.000 0.248 414 Q C -0.387 175.597 176.000 -0.026 0.000 0.992 414 Q CA 0.039 55.830 55.803 -0.019 0.000 0.888 414 Q CB 1.405 30.124 28.738 -0.032 0.000 1.257 414 Q HN 0.020 nan 8.270 nan 0.000 0.462 415 A N 1.326 124.130 122.820 -0.026 0.000 2.342 415 A HA 0.682 5.003 4.320 0.002 0.000 0.323 415 A C -0.090 177.448 177.584 -0.077 0.000 1.125 415 A CA -0.402 51.603 52.037 -0.053 0.000 0.785 415 A CB 1.235 20.199 19.000 -0.061 0.000 1.221 415 A HN 0.753 nan 8.150 nan 0.000 0.463 416 T N -0.514 113.997 114.554 -0.072 0.000 2.888 416 T HA 0.902 5.253 4.350 0.002 0.000 0.288 416 T C -0.504 174.148 174.700 -0.079 0.000 1.063 416 T CA -0.828 61.233 62.100 -0.065 0.000 1.010 416 T CB 1.718 70.574 68.868 -0.020 0.000 1.214 416 T HN 1.015 nan 8.240 nan 0.000 0.533 417 R N -0.616 119.866 120.500 -0.030 0.000 2.664 417 R HA 0.602 4.944 4.340 0.002 0.000 0.260 417 R C -1.789 174.699 176.300 0.313 0.000 1.062 417 R CA -0.258 55.851 56.100 0.015 0.000 0.902 417 R CB 1.728 31.872 30.300 -0.258 0.000 1.258 417 R HN 0.947 nan 8.270 nan 0.000 0.465 418 T N 3.977 118.751 114.554 0.366 0.000 2.876 418 T HA 0.694 5.045 4.350 0.002 0.000 0.289 418 T C -0.531 174.317 174.700 0.246 0.000 1.014 418 T CA -0.739 61.539 62.100 0.297 0.000 0.986 418 T CB 1.177 70.110 68.868 0.109 0.000 1.021 418 T HN 0.620 nan 8.240 nan 0.000 0.458 419 M N 1.302 120.811 119.600 -0.152 0.000 2.691 419 M HA 0.742 5.223 4.480 0.002 0.000 0.293 419 M C -1.372 174.812 176.300 -0.194 0.000 1.259 419 M CA -1.044 54.113 55.300 -0.238 0.000 0.827 419 M CB 2.363 34.560 32.600 -0.673 0.000 1.753 419 M HN 0.418 nan 8.290 nan 0.000 0.465 420 Q N 1.099 120.823 119.800 -0.126 0.000 2.290 420 Q HA 0.751 5.092 4.340 0.002 0.000 0.269 420 Q C -1.902 174.055 176.000 -0.072 0.000 1.016 420 Q CA -0.478 55.273 55.803 -0.086 0.000 0.754 420 Q CB 2.330 31.051 28.738 -0.028 0.000 1.247 420 Q HN 0.918 nan 8.270 nan 0.000 0.451 421 A N 5.031 127.804 122.820 -0.079 0.000 2.276 421 A HA 0.642 4.963 4.320 0.002 0.000 0.316 421 A C -0.852 176.874 177.584 0.236 0.000 1.229 421 A CA -0.580 51.453 52.037 -0.007 0.000 0.851 421 A CB 0.498 19.388 19.000 -0.184 0.000 1.165 421 A HN 0.770 nan 8.150 nan 0.000 0.513 422 L N 3.011 124.470 121.223 0.393 0.000 2.343 422 L HA 0.419 4.760 4.340 0.002 0.000 0.275 422 L C -2.321 174.643 176.870 0.157 0.000 1.056 422 L CA -2.193 52.866 54.840 0.364 0.000 0.804 422 L CB 1.388 43.653 42.059 0.342 0.000 1.203 422 L HN 0.399 nan 8.230 nan 0.000 0.440 423 P HA -0.041 nan 4.420 nan 0.000 0.272 423 P C -0.947 176.150 177.300 -0.338 0.000 1.223 423 P CA -0.168 62.530 63.100 -0.669 0.000 0.784 423 P CB 0.262 31.667 31.700 -0.493 0.000 0.923 424 Y N 2.150 122.177 120.300 -0.455 0.000 2.605 424 Y HA 0.111 4.662 4.550 0.002 0.000 0.336 424 Y C 0.673 176.546 175.900 -0.045 0.000 1.111 424 Y CA -0.010 57.958 58.100 -0.220 0.000 1.422 424 Y CB -0.002 38.383 38.460 -0.124 0.000 1.193 424 Y HN 0.161 nan 8.280 nan 0.000 0.526 425 S N 6.320 121.738 115.700 -0.469 0.000 2.416 425 S HA 0.212 4.684 4.470 0.002 0.000 0.302 425 S C 0.309 174.599 174.600 -0.516 0.000 1.120 425 S CA -0.302 57.671 58.200 -0.379 0.000 1.067 425 S CB -0.826 62.211 63.200 -0.272 0.000 1.057 425 S HN 0.892 nan 8.310 nan 0.000 0.518 426 T N 2.029 116.344 114.554 -0.399 0.000 2.689 426 T HA 0.371 4.722 4.350 0.002 0.000 0.308 426 T C 0.397 174.932 174.700 -0.275 0.000 1.021 426 T CA -0.717 61.149 62.100 -0.390 0.000 0.973 426 T CB 0.254 68.914 68.868 -0.346 0.000 1.113 426 T HN 0.306 nan 8.240 nan 0.000 0.522 427 V N 1.337 121.100 119.914 -0.252 0.000 2.461 427 V HA 0.508 4.630 4.120 0.002 0.000 0.275 427 V C 1.581 177.566 176.094 -0.183 0.000 1.047 427 V CA 0.594 62.759 62.300 -0.226 0.000 0.955 427 V CB 0.035 31.692 31.823 -0.275 0.000 0.988 427 V HN 1.366 nan 8.190 nan 0.000 0.471 428 G N 5.004 113.716 108.800 -0.147 0.000 2.233 428 G HA2 -0.331 3.631 3.960 0.002 0.000 0.270 428 G HA3 -0.331 3.631 3.960 0.002 0.000 0.270 428 G C 0.516 175.348 174.900 -0.114 0.000 1.011 428 G CA 0.517 45.547 45.100 -0.117 0.000 0.762 428 G HN 0.963 nan 8.290 nan 0.000 0.511 429 N N -1.552 117.069 118.700 -0.132 0.000 2.735 429 N HA -0.252 4.489 4.740 0.002 0.000 0.248 429 N C 1.574 177.006 175.510 -0.130 0.000 1.083 429 N CA 1.468 54.445 53.050 -0.122 0.000 0.703 429 N CB -1.410 37.027 38.487 -0.082 0.000 1.005 429 N HN 1.291 nan 8.380 nan 0.000 0.550 430 S N -0.552 115.047 115.700 -0.168 0.000 2.453 430 S HA -0.068 4.403 4.470 0.002 0.000 0.231 430 S C 0.989 175.470 174.600 -0.197 0.000 1.005 430 S CA 0.957 59.056 58.200 -0.168 0.000 0.949 430 S CB 0.234 63.321 63.200 -0.188 0.000 0.774 430 S HN 0.410 nan 8.310 nan 0.000 0.510 431 N N 0.782 119.298 118.700 -0.305 0.000 2.901 431 N HA -0.110 4.631 4.740 0.002 0.000 0.248 431 N C -1.642 173.504 175.510 -0.608 0.000 1.044 431 N CA 0.863 53.658 53.050 -0.425 0.000 0.847 431 N CB -2.167 36.239 38.487 -0.135 0.000 1.127 431 N HN 0.492 nan 8.380 nan 0.000 0.562 432 N N 0.848 119.232 118.700 -0.527 0.000 2.444 432 N HA 0.366 5.107 4.740 0.002 0.000 0.271 432 N C -0.449 174.872 175.510 -0.316 0.000 1.069 432 N CA 0.275 53.148 53.050 -0.294 0.000 0.965 432 N CB 0.354 38.791 38.487 -0.083 0.000 1.092 432 N HN 0.157 nan 8.380 nan 0.000 0.476 433 Y N 0.387 120.829 120.300 0.236 0.000 2.605 433 Y HA 0.615 5.166 4.550 0.002 0.000 0.343 433 Y C -0.460 175.613 175.900 0.289 0.000 1.036 433 Y CA -1.196 57.048 58.100 0.239 0.000 1.065 433 Y CB 1.446 39.999 38.460 0.155 0.000 1.288 433 Y HN 0.267 nan 8.280 nan 0.000 0.481 434 L N 1.859 123.300 121.223 0.364 0.000 2.436 434 L HA 0.575 4.916 4.340 0.002 0.000 0.268 434 L C -1.806 175.162 176.870 0.163 0.000 0.974 434 L CA -0.510 54.516 54.840 0.310 0.000 0.826 434 L CB 1.477 43.737 42.059 0.335 0.000 1.291 434 L HN 0.763 nan 8.230 nan 0.000 0.406 435 H N 4.472 123.555 119.070 0.021 0.000 2.538 435 H HA 0.664 5.222 4.556 0.003 0.000 0.353 435 H C -1.584 173.658 175.328 -0.144 0.000 1.109 435 H CA -0.580 55.434 56.048 -0.057 0.000 1.192 435 H CB 1.547 31.300 29.762 -0.015 0.000 1.555 435 H HN 0.676 nan 8.280 nan 0.000 0.518 436 L N 4.742 125.546 121.223 -0.699 0.000 2.313 436 L HA 0.304 4.645 4.340 0.002 0.000 0.273 436 L C -0.264 176.097 176.870 -0.848 0.000 1.028 436 L CA -0.699 53.706 54.840 -0.724 0.000 0.871 436 L CB 1.007 42.720 42.059 -0.576 0.000 1.242 436 L HN 0.640 nan 8.230 nan 0.000 0.434 437 S N 2.106 117.368 115.700 -0.729 0.000 2.416 437 S HA 0.533 5.004 4.470 0.002 0.000 0.287 437 S C -0.255 174.208 174.600 -0.229 0.000 1.139 437 S CA -0.702 57.259 58.200 -0.398 0.000 1.058 437 S CB 1.609 64.725 63.200 -0.139 0.000 0.967 437 S HN 0.218 nan 8.310 nan 0.000 0.495 438 V N 4.942 124.750 119.914 -0.177 0.000 2.448 438 V HA 0.325 4.446 4.120 0.002 0.000 0.295 438 V C -0.070 175.975 176.094 -0.082 0.000 1.025 438 V CA -1.185 61.042 62.300 -0.121 0.000 0.859 438 V CB 1.416 33.169 31.823 -0.116 0.000 0.988 438 V HN 0.943 nan 8.190 nan 0.000 0.431 439 L N 4.675 125.863 121.223 -0.059 0.000 2.601 439 L HA 0.318 4.659 4.340 0.002 0.000 0.277 439 L C 0.200 177.041 176.870 -0.048 0.000 1.219 439 L CA 0.724 55.536 54.840 -0.046 0.000 0.915 439 L CB -0.391 41.648 42.059 -0.033 0.000 1.160 439 L HN 0.513 nan 8.230 nan 0.000 0.494 440 R N 3.401 123.870 120.500 -0.052 0.000 2.320 440 R HA 0.588 4.929 4.340 0.002 0.000 0.319 440 R C -0.272 176.001 176.300 -0.046 0.000 0.969 440 R CA -0.053 56.012 56.100 -0.059 0.000 0.857 440 R CB 1.384 31.635 30.300 -0.082 0.000 1.160 440 R HN 1.001 nan 8.270 nan 0.000 0.491 441 T N -1.935 112.597 114.554 -0.037 0.000 2.591 441 T HA 0.303 4.654 4.350 0.002 0.000 0.274 441 T C -0.188 174.496 174.700 -0.026 0.000 0.945 441 T CA -1.026 61.058 62.100 -0.026 0.000 1.087 441 T CB 0.968 69.825 68.868 -0.019 0.000 1.416 441 T HN 0.263 nan 8.240 nan 0.000 0.514 442 E N 1.478 121.666 120.200 -0.020 0.000 2.003 442 E HA 0.269 4.620 4.350 0.002 0.000 0.279 442 E C -0.398 176.193 176.600 -0.015 0.000 1.132 442 E CA -0.182 56.207 56.400 -0.019 0.000 0.888 442 E CB 0.310 29.998 29.700 -0.020 0.000 1.056 442 E HN 0.342 nan 8.360 nan 0.000 0.399 443 L N 3.846 125.065 121.223 -0.007 0.000 2.426 443 L HA 0.241 4.583 4.340 0.002 0.000 0.271 443 L C 0.580 177.447 176.870 -0.005 0.000 1.169 443 L CA 0.390 55.230 54.840 -0.000 0.000 0.836 443 L CB 0.307 42.388 42.059 0.037 0.000 1.112 443 L HN 0.354 nan 8.230 nan 0.000 0.465 444 R N 2.855 123.342 120.500 -0.021 0.000 2.673 444 R HA 0.419 4.760 4.340 0.002 0.000 0.281 444 R C -2.664 173.614 176.300 -0.037 0.000 0.991 444 R CA -2.111 53.977 56.100 -0.020 0.000 0.896 444 R CB 1.533 31.823 30.300 -0.016 0.000 1.201 444 R HN 0.308 nan 8.270 nan 0.000 0.457 445 P HA 0.014 nan 4.420 nan 0.000 0.264 445 P C 0.650 177.932 177.300 -0.030 0.000 1.193 445 P CA 0.932 64.015 63.100 -0.028 0.000 0.763 445 P CB 0.787 32.502 31.700 0.024 0.000 0.810 446 G N 2.230 110.998 108.800 -0.053 0.000 2.475 446 G HA2 -0.196 3.765 3.960 0.002 0.000 0.209 446 G HA3 -0.196 3.765 3.960 0.002 0.000 0.209 446 G C 0.106 174.973 174.900 -0.055 0.000 1.127 446 G CA -0.430 44.646 45.100 -0.039 0.000 0.681 446 G HN 0.537 nan 8.290 nan 0.000 0.517 447 E N 1.188 121.353 120.200 -0.059 0.000 2.436 447 E HA 0.385 4.736 4.350 0.002 0.000 0.262 447 E C -0.244 176.305 176.600 -0.086 0.000 1.063 447 E CA 0.891 57.256 56.400 -0.059 0.000 0.944 447 E CB 0.689 30.359 29.700 -0.050 0.000 0.950 447 E HN 0.153 nan 8.360 nan 0.000 0.444 448 T N 2.562 117.075 114.554 -0.069 0.000 2.770 448 T HA 0.366 4.718 4.350 0.002 0.000 0.283 448 T C -1.099 173.561 174.700 -0.067 0.000 0.988 448 T CA -0.753 61.299 62.100 -0.079 0.000 0.957 448 T CB 0.383 69.217 68.868 -0.056 0.000 0.930 448 T HN 0.210 nan 8.240 nan 0.000 0.443 449 L N 5.970 127.143 121.223 -0.084 0.000 2.295 449 L HA 0.612 4.954 4.340 0.002 0.000 0.285 449 L C -0.431 176.417 176.870 -0.037 0.000 1.035 449 L CA -0.364 54.446 54.840 -0.050 0.000 0.806 449 L CB 1.100 43.142 42.059 -0.028 0.000 1.214 449 L HN 0.493 nan 8.230 nan 0.000 0.426 450 N N 3.939 122.625 118.700 -0.023 0.000 2.419 450 N HA 0.323 5.064 4.740 0.002 0.000 0.264 450 N C -1.141 174.358 175.510 -0.019 0.000 1.031 450 N CA -0.264 52.779 53.050 -0.011 0.000 0.951 450 N CB 1.797 40.280 38.487 -0.006 0.000 1.101 450 N HN 0.413 nan 8.380 nan 0.000 0.488 451 V N 2.784 122.699 119.914 0.002 0.000 2.277 451 V HA 0.215 4.337 4.120 0.002 0.000 0.269 451 V C 0.198 176.265 176.094 -0.046 0.000 1.036 451 V CA -1.041 61.213 62.300 -0.077 0.000 0.821 451 V CB 0.168 31.929 31.823 -0.103 0.000 1.052 451 V HN 0.442 nan 8.190 nan 0.000 0.462 452 N N 3.893 122.527 118.700 -0.111 0.000 2.438 452 N HA 0.231 4.972 4.740 0.002 0.000 0.267 452 N C -0.721 174.678 175.510 -0.186 0.000 1.222 452 N CA 0.348 53.364 53.050 -0.056 0.000 0.930 452 N CB 0.202 38.651 38.487 -0.064 0.000 1.083 452 N HN 0.522 nan 8.380 nan 0.000 0.476 453 F N 2.714 122.580 119.950 -0.140 0.000 2.313 453 F HA 0.250 4.779 4.527 0.004 0.000 0.369 453 F C 0.173 175.902 175.800 -0.118 0.000 1.109 453 F CA -0.911 56.944 58.000 -0.242 0.000 1.132 453 F CB 0.717 39.468 39.000 -0.414 0.000 1.291 453 F HN 0.173 nan 8.300 nan 0.000 0.496 454 L N 5.937 127.187 121.223 0.046 0.000 2.280 454 L HA 0.495 4.837 4.340 0.002 0.000 0.287 454 L C -1.139 175.857 176.870 0.209 0.000 1.023 454 L CA -1.037 53.885 54.840 0.137 0.000 0.819 454 L CB 1.009 43.155 42.059 0.144 0.000 1.212 454 L HN 0.418 nan 8.230 nan 0.000 0.420 455 L N 5.698 127.060 121.223 0.231 0.000 2.265 455 L HA 0.546 4.887 4.340 0.002 0.000 0.288 455 L C -0.422 176.565 176.870 0.195 0.000 1.058 455 L CA -0.142 54.849 54.840 0.252 0.000 0.809 455 L CB 0.778 42.959 42.059 0.203 0.000 1.179 455 L HN 0.703 nan 8.230 nan 0.000 0.429 456 R N 6.773 127.417 120.500 0.239 0.000 2.335 456 R HA 0.739 5.080 4.340 0.002 0.000 0.302 456 R C -1.453 174.949 176.300 0.170 0.000 1.147 456 R CA -0.355 55.878 56.100 0.222 0.000 1.111 456 R CB 0.167 30.660 30.300 0.321 0.000 1.122 456 R HN 0.814 nan 8.270 nan 0.000 0.557 457 M N 0.297 119.958 119.600 0.103 0.000 2.605 457 M HA 0.372 4.853 4.480 0.002 0.000 0.281 457 M C -1.520 174.813 176.300 0.054 0.000 1.166 457 M CA -1.055 54.279 55.300 0.056 0.000 0.875 457 M CB 1.723 34.343 32.600 0.034 0.000 1.732 457 M HN 0.273 nan 8.290 nan 0.000 0.504 458 D N 2.172 122.606 120.400 0.055 0.000 2.487 458 D HA 0.001 4.642 4.640 0.002 0.000 0.243 458 D C 0.842 177.183 176.300 0.067 0.000 1.154 458 D CA -0.051 53.986 54.000 0.063 0.000 0.876 458 D CB 0.815 41.658 40.800 0.073 0.000 1.161 458 D HN 0.901 nan 8.370 nan 0.000 0.478 459 R N 2.222 122.741 120.500 0.032 0.000 2.276 459 R HA -0.214 4.127 4.340 0.002 0.000 0.243 459 R C 1.805 178.093 176.300 -0.020 0.000 1.161 459 R CA 1.288 57.393 56.100 0.007 0.000 1.007 459 R CB -0.697 29.601 30.300 -0.003 0.000 0.867 459 R HN 0.453 nan 8.270 nan 0.000 0.472 460 A N 1.921 124.723 122.820 -0.030 0.000 1.894 460 A HA -0.255 4.066 4.320 0.002 0.000 0.220 460 A C 1.164 178.547 177.584 -0.334 0.000 1.237 460 A CA 2.094 54.012 52.037 -0.199 0.000 0.660 460 A CB -0.757 18.102 19.000 -0.236 0.000 0.835 460 A HN 0.741 nan 8.150 nan 0.000 0.461 461 H N -1.749 117.290 119.070 -0.052 0.000 2.592 461 H HA 0.326 4.883 4.556 0.002 0.000 0.279 461 H C 1.341 176.612 175.328 -0.095 0.000 1.089 461 H CA 0.374 56.380 56.048 -0.068 0.000 1.150 461 H CB 0.069 29.790 29.762 -0.068 0.000 1.575 461 H HN 0.779 nan 8.280 nan 0.000 0.547 462 E N 1.717 121.926 120.200 0.014 0.000 2.085 462 E HA -0.205 4.146 4.350 0.002 0.000 0.194 462 E C 2.153 178.710 176.600 -0.072 0.000 0.994 462 E CA 1.285 57.660 56.400 -0.042 0.000 0.801 462 E CB 0.001 29.687 29.700 -0.024 0.000 0.743 462 E HN 0.466 nan 8.360 nan 0.000 0.453 463 A N 0.787 123.572 122.820 -0.058 0.000 2.067 463 A HA -0.159 4.162 4.320 0.002 0.000 0.219 463 A C 1.956 179.495 177.584 -0.074 0.000 1.158 463 A CA 1.324 53.325 52.037 -0.061 0.000 0.661 463 A CB -0.284 18.685 19.000 -0.050 0.000 0.801 463 A HN 0.171 nan 8.150 nan 0.000 0.452 464 K N -0.379 119.976 120.400 -0.074 0.000 1.984 464 K HA -0.018 4.304 4.320 0.002 0.000 0.209 464 K C 0.161 176.672 176.600 -0.149 0.000 1.046 464 K CA 0.527 56.766 56.287 -0.081 0.000 0.934 464 K CB -0.361 32.114 32.500 -0.041 0.000 0.717 464 K HN 0.311 nan 8.250 nan 0.000 0.438 465 I N 2.839 123.275 120.570 -0.223 0.000 2.978 465 I HA -0.157 4.014 4.170 0.002 0.000 0.293 465 I C 1.193 177.110 176.117 -0.334 0.000 1.218 465 I CA 0.931 62.002 61.300 -0.381 0.000 1.393 465 I CB 0.080 37.761 38.000 -0.530 0.000 1.394 465 I HN 0.182 nan 8.210 nan 0.000 0.541 466 R N 5.808 126.097 120.500 -0.351 0.000 2.279 466 R HA 0.164 4.505 4.340 0.002 0.000 0.195 466 R C -0.467 175.775 176.300 -0.097 0.000 0.905 466 R CA 0.330 56.337 56.100 -0.154 0.000 1.044 466 R CB 0.062 30.378 30.300 0.026 0.000 1.056 466 R HN 0.682 nan 8.270 nan 0.000 0.535 467 Y N -2.956 117.193 120.300 -0.251 0.000 2.558 467 Y HA 0.558 5.112 4.550 0.006 0.000 0.333 467 Y C -1.514 174.208 175.900 -0.296 0.000 1.125 467 Y CA -2.249 55.722 58.100 -0.215 0.000 1.039 467 Y CB 0.268 38.689 38.460 -0.066 0.000 1.331 467 Y HN -0.217 nan 8.280 nan 0.000 0.456 468 Y N 1.065 121.484 120.300 0.197 0.000 2.330 468 Y HA 0.604 5.154 4.550 0.001 0.000 0.336 468 Y C 0.107 176.197 175.900 0.317 0.000 1.036 468 Y CA -0.755 57.475 58.100 0.216 0.000 1.125 468 Y CB 2.256 40.786 38.460 0.116 0.000 1.194 468 Y HN 0.705 nan 8.280 nan 0.000 0.469 469 T N 4.973 119.796 114.554 0.449 0.000 2.756 469 T HA 0.351 4.702 4.350 0.002 0.000 0.290 469 T C -1.032 173.990 174.700 0.538 0.000 0.985 469 T CA -0.536 61.804 62.100 0.400 0.000 0.955 469 T CB -0.364 68.710 68.868 0.343 0.000 0.930 469 T HN 0.460 nan 8.240 nan 0.000 0.451 470 Y N 2.648 123.185 120.300 0.395 0.000 2.528 470 Y HA 0.886 5.436 4.550 -0.000 0.000 0.335 470 Y C -1.549 174.528 175.900 0.296 0.000 1.093 470 Y CA -1.805 56.519 58.100 0.372 0.000 1.134 470 Y CB 0.828 39.521 38.460 0.388 0.000 1.253 470 Y HN 0.345 nan 8.280 nan 0.000 0.478 471 L N 3.590 125.066 121.223 0.422 0.000 2.415 471 L HA 0.549 4.890 4.340 0.002 0.000 0.256 471 L C -1.138 175.910 176.870 0.297 0.000 1.010 471 L CA -0.840 54.163 54.840 0.273 0.000 0.826 471 L CB 2.462 44.636 42.059 0.192 0.000 1.405 471 L HN 0.610 nan 8.230 nan 0.000 0.410 472 I N 2.224 122.927 120.570 0.222 0.000 2.411 472 I HA 0.398 4.569 4.170 0.002 0.000 0.284 472 I C -0.645 175.539 176.117 0.111 0.000 1.012 472 I CA -0.466 60.959 61.300 0.210 0.000 1.119 472 I CB 1.627 39.717 38.000 0.150 0.000 1.261 472 I HN 0.473 nan 8.210 nan 0.000 0.448 473 M N 5.254 124.924 119.600 0.116 0.000 2.274 473 M HA 0.374 4.855 4.480 0.002 0.000 0.344 473 M C -0.039 176.289 176.300 0.048 0.000 1.161 473 M CA 0.103 55.432 55.300 0.049 0.000 1.126 473 M CB 0.801 33.410 32.600 0.014 0.000 1.522 473 M HN 0.603 nan 8.290 nan 0.000 0.461 474 N N 0.920 119.623 118.700 0.004 0.000 2.635 474 N HA 0.081 4.822 4.740 0.002 0.000 0.260 474 N C -1.090 174.429 175.510 0.015 0.000 1.078 474 N CA -0.284 52.767 53.050 0.001 0.000 1.012 474 N CB 1.296 39.757 38.487 -0.044 0.000 1.677 474 N HN 0.618 nan 8.380 nan 0.000 0.514 475 K N 1.888 122.313 120.400 0.042 0.000 3.003 475 K HA -0.231 4.091 4.320 0.002 0.000 0.257 475 K C 0.624 177.280 176.600 0.093 0.000 0.958 475 K CA 1.052 57.408 56.287 0.114 0.000 0.707 475 K CB -1.513 31.095 32.500 0.179 0.000 1.279 475 K HN 0.963 nan 8.250 nan 0.000 0.479 476 G N 0.276 109.095 108.800 0.032 0.000 2.249 476 G HA2 -0.374 3.587 3.960 0.002 0.000 0.273 476 G HA3 -0.374 3.587 3.960 0.002 0.000 0.273 476 G C -0.063 174.830 174.900 -0.011 0.000 1.036 476 G CA 0.990 46.095 45.100 0.008 0.000 0.824 476 G HN 0.695 nan 8.290 nan 0.000 0.504 477 R N -1.682 118.812 120.500 -0.010 0.000 2.817 477 R HA 0.785 5.126 4.340 0.002 0.000 0.268 477 R C -0.408 175.876 176.300 -0.027 0.000 1.027 477 R CA -1.366 54.716 56.100 -0.030 0.000 0.928 477 R CB 1.009 31.288 30.300 -0.035 0.000 1.228 477 R HN 0.083 nan 8.270 nan 0.000 0.469 478 L N 2.525 123.727 121.223 -0.035 0.000 2.361 478 L HA 0.174 4.515 4.340 0.002 0.000 0.278 478 L C 0.647 177.487 176.870 -0.050 0.000 1.113 478 L CA -0.302 54.523 54.840 -0.024 0.000 0.849 478 L CB 1.239 43.289 42.059 -0.014 0.000 1.155 478 L HN 0.679 nan 8.230 nan 0.000 0.452 479 L N 3.786 124.969 121.223 -0.066 0.000 2.515 479 L HA 0.323 4.664 4.340 0.002 0.000 0.223 479 L C 0.268 177.073 176.870 -0.108 0.000 1.079 479 L CA 0.878 55.639 54.840 -0.133 0.000 0.857 479 L CB 0.162 42.060 42.059 -0.268 0.000 1.050 479 L HN 0.568 nan 8.230 nan 0.000 0.476 480 K N -0.516 119.863 120.400 -0.035 0.000 2.598 480 K HA 0.659 4.980 4.320 0.002 0.000 0.271 480 K C -2.022 174.601 176.600 0.038 0.000 0.947 480 K CA -0.124 56.173 56.287 0.017 0.000 0.854 480 K CB 1.723 34.269 32.500 0.076 0.000 1.401 480 K HN -0.063 nan 8.250 nan 0.000 0.415 481 A N 1.823 124.623 122.820 -0.034 0.000 2.414 481 A HA 0.755 5.076 4.320 0.002 0.000 0.286 481 A C -0.755 176.629 177.584 -0.333 0.000 1.073 481 A CA -0.047 51.912 52.037 -0.131 0.000 0.727 481 A CB 1.458 20.451 19.000 -0.012 0.000 1.215 481 A HN 0.764 nan 8.150 nan 0.000 0.430 482 G N 1.062 109.293 108.800 -0.949 0.000 3.022 482 G HA2 0.714 4.675 3.960 0.002 0.000 0.284 482 G HA3 0.714 4.675 3.960 0.002 0.000 0.284 482 G C -1.150 173.329 174.900 -0.702 0.000 1.375 482 G CA -0.722 43.848 45.100 -0.883 0.000 0.902 482 G HN 0.563 nan 8.290 nan 0.000 0.538 483 R N -0.063 120.353 120.500 -0.139 0.000 2.637 483 R HA 0.487 4.828 4.340 0.002 0.000 0.291 483 R C -1.249 175.222 176.300 0.285 0.000 0.963 483 R CA -0.785 55.383 56.100 0.114 0.000 0.901 483 R CB 2.009 32.308 30.300 -0.002 0.000 1.160 483 R HN 0.538 nan 8.270 nan 0.000 0.457 484 Q N 2.213 122.175 119.800 0.269 0.000 2.357 484 Q HA 0.275 4.616 4.340 0.002 0.000 0.266 484 Q C -0.648 175.404 176.000 0.087 0.000 1.021 484 Q CA -0.698 55.150 55.803 0.075 0.000 0.784 484 Q CB 1.468 30.017 28.738 -0.314 0.000 1.243 484 Q HN 0.485 nan 8.270 nan 0.000 0.465 485 V N 2.007 121.957 119.914 0.061 0.000 2.924 485 V HA 0.645 4.766 4.120 0.002 0.000 0.305 485 V C -0.125 175.990 176.094 0.035 0.000 1.073 485 V CA -0.607 61.730 62.300 0.062 0.000 1.098 485 V CB 1.245 33.093 31.823 0.040 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.492 121.998 120.500 0.010 0.000 2.771 486 R HA 0.570 4.911 4.340 0.002 0.000 0.274 486 R C -1.347 174.941 176.300 -0.020 0.000 0.987 486 R CA -0.663 55.431 56.100 -0.010 0.000 0.908 486 R CB 2.194 32.449 30.300 -0.075 0.000 1.213 486 R HN 0.893 nan 8.270 nan 0.000 0.468 487 E N 2.768 122.962 120.200 -0.009 0.000 2.238 487 E HA 0.382 4.733 4.350 0.002 0.000 0.267 487 E C -2.504 174.086 176.600 -0.018 0.000 0.887 487 E CA -2.335 54.057 56.400 -0.012 0.000 0.769 487 E CB 1.922 31.622 29.700 -0.000 0.000 1.187 487 E HN 0.437 nan 8.360 nan 0.000 0.416 488 P HA -0.001 nan 4.420 nan 0.000 0.266 488 P C 0.848 178.140 177.300 -0.013 0.000 1.186 488 P CA 1.186 64.269 63.100 -0.029 0.000 0.767 488 P CB 0.453 32.136 31.700 -0.029 0.000 0.820 489 G N 0.838 109.632 108.800 -0.011 0.000 2.284 489 G HA2 -0.281 3.681 3.960 0.002 0.000 0.247 489 G HA3 -0.281 3.681 3.960 0.002 0.000 0.247 489 G C 0.200 175.110 174.900 0.016 0.000 1.012 489 G CA -0.192 44.909 45.100 0.002 0.000 0.618 489 G HN 0.593 nan 8.290 nan 0.000 0.521 490 Q N 0.367 120.179 119.800 0.019 0.000 2.304 490 Q HA 0.452 4.793 4.340 0.002 0.000 0.260 490 Q C 0.368 176.406 176.000 0.062 0.000 0.965 490 Q CA 0.054 55.882 55.803 0.042 0.000 0.898 490 Q CB 0.837 29.604 28.738 0.047 0.000 1.196 490 Q HN 0.292 nan 8.270 nan 0.000 0.402 491 D N 1.088 121.537 120.400 0.081 0.000 2.455 491 D HA 0.094 4.735 4.640 0.002 0.000 0.228 491 D C -0.817 175.569 176.300 0.143 0.000 1.070 491 D CA 0.172 54.238 54.000 0.111 0.000 0.881 491 D CB 0.618 41.474 40.800 0.094 0.000 1.087 491 D HN 0.218 nan 8.370 nan 0.000 0.498 492 L N 1.692 122.986 121.223 0.118 0.000 2.313 492 L HA 0.484 4.825 4.340 0.002 0.000 0.283 492 L C -0.927 176.019 176.870 0.127 0.000 1.013 492 L CA -0.939 53.975 54.840 0.123 0.000 0.816 492 L CB 1.558 43.670 42.059 0.088 0.000 1.236 492 L HN -0.139 nan 8.230 nan 0.000 0.419 493 V N 3.105 123.117 119.914 0.164 0.000 2.709 493 V HA 0.752 4.873 4.120 0.002 0.000 0.308 493 V C -0.720 175.470 176.094 0.160 0.000 1.062 493 V CA -0.813 61.562 62.300 0.125 0.000 0.901 493 V CB 1.650 33.531 31.823 0.097 0.000 1.003 493 V HN 0.397 nan 8.190 nan 0.000 0.425 494 V N 4.977 124.952 119.914 0.102 0.000 2.435 494 V HA 0.521 4.642 4.120 0.002 0.000 0.290 494 V C -0.320 175.824 176.094 0.084 0.000 1.030 494 V CA -0.501 61.870 62.300 0.119 0.000 0.881 494 V CB 1.478 33.341 31.823 0.066 0.000 0.983 494 V HN 0.825 nan 8.190 nan 0.000 0.445 495 L N 8.550 129.859 121.223 0.143 0.000 2.265 495 L HA 0.633 4.974 4.340 0.002 0.000 0.289 495 L C -2.498 174.382 176.870 0.016 0.000 1.033 495 L CA -2.245 52.633 54.840 0.063 0.000 0.814 495 L CB 1.425 43.592 42.059 0.181 0.000 1.203 495 L HN 0.389 nan 8.230 nan 0.000 0.423 496 P HA 0.148 nan 4.420 nan 0.000 0.273 496 P C -0.961 176.312 177.300 -0.046 0.000 1.319 496 P CA -0.280 62.807 63.100 -0.022 0.000 0.885 496 P CB 0.481 32.175 31.700 -0.010 0.000 1.015 497 L N 4.500 125.680 121.223 -0.072 0.000 2.272 497 L HA 0.272 4.613 4.340 0.002 0.000 0.284 497 L C 0.254 177.024 176.870 -0.167 0.000 1.045 497 L CA -0.337 54.430 54.840 -0.121 0.000 0.842 497 L CB -0.036 41.932 42.059 -0.152 0.000 1.224 497 L HN 0.257 nan 8.230 nan 0.000 0.430 498 S N 5.292 120.916 115.700 -0.127 0.000 2.568 498 S HA 0.438 4.909 4.470 0.002 0.000 0.282 498 S C 0.047 174.440 174.600 -0.345 0.000 1.338 498 S CA -0.561 57.552 58.200 -0.144 0.000 1.045 498 S CB 0.974 64.147 63.200 -0.046 0.000 0.873 498 S HN 0.429 nan 8.310 nan 0.000 0.516 499 I N 3.410 123.753 120.570 -0.378 0.000 2.464 499 I HA 0.235 4.406 4.170 0.002 0.000 0.277 499 I C 0.740 176.683 176.117 -0.290 0.000 1.040 499 I CA -0.170 60.705 61.300 -0.709 0.000 1.153 499 I CB 0.658 38.334 38.000 -0.539 0.000 1.274 499 I HN 0.952 nan 8.210 nan 0.000 0.469 500 T N 0.504 115.064 114.554 0.011 0.000 2.862 500 T HA 0.246 4.597 4.350 0.002 0.000 0.276 500 T C 1.507 176.376 174.700 0.281 0.000 0.974 500 T CA -0.229 61.988 62.100 0.194 0.000 0.966 500 T CB 1.123 70.122 68.868 0.219 0.000 1.072 500 T HN 0.619 nan 8.240 nan 0.000 0.538 501 T N -1.450 113.201 114.554 0.161 0.000 2.946 501 T HA -0.113 4.238 4.350 0.002 0.000 0.271 501 T C 0.844 175.627 174.700 0.139 0.000 1.104 501 T CA 1.237 63.417 62.100 0.133 0.000 1.114 501 T CB -0.755 68.171 68.868 0.096 0.000 0.867 501 T HN 0.646 nan 8.240 nan 0.000 0.513 502 D N 0.335 120.815 120.400 0.132 0.000 2.378 502 D HA 0.106 4.747 4.640 0.002 0.000 0.227 502 D C 0.919 177.146 176.300 -0.122 0.000 1.012 502 D CA 0.366 54.358 54.000 -0.013 0.000 0.905 502 D CB -0.473 40.257 40.800 -0.116 0.000 0.895 502 D HN 0.517 nan 8.370 nan 0.000 0.532 503 F N 0.294 120.226 119.950 -0.031 0.000 2.619 503 F HA 0.223 4.750 4.527 -0.001 0.000 0.293 503 F C 1.131 176.944 175.800 0.022 0.000 1.119 503 F CA -0.273 57.720 58.000 -0.011 0.000 1.445 503 F CB 0.154 39.104 39.000 -0.083 0.000 1.119 503 F HN -0.174 nan 8.300 nan 0.000 0.573 504 I N 2.945 123.569 120.570 0.090 0.000 2.752 504 I HA -0.037 4.134 4.170 0.002 0.000 0.287 504 I C -1.520 174.400 176.117 -0.328 0.000 1.188 504 I CA -1.070 60.129 61.300 -0.170 0.000 1.427 504 I CB 0.237 38.070 38.000 -0.278 0.000 1.365 504 I HN -0.108 nan 8.210 nan 0.000 0.585 505 P HA 0.044 nan 4.420 nan 0.000 0.261 505 P C -0.412 176.796 177.300 -0.153 0.000 1.268 505 P CA 0.255 63.048 63.100 -0.512 0.000 0.833 505 P CB 0.396 31.708 31.700 -0.646 0.000 1.231 506 S N -0.170 115.507 115.700 -0.039 0.000 2.604 506 S HA 0.573 5.044 4.470 0.002 0.000 0.296 506 S C -1.215 173.406 174.600 0.035 0.000 1.097 506 S CA -0.965 57.242 58.200 0.011 0.000 0.883 506 S CB -0.139 63.019 63.200 -0.072 0.000 1.081 506 S HN 0.034 nan 8.310 nan 0.000 0.448 507 F N 0.690 120.650 119.950 0.017 0.000 2.563 507 F HA 0.846 5.376 4.527 0.005 0.000 0.316 507 F C -0.299 175.504 175.800 0.006 0.000 1.076 507 F CA -1.096 56.916 58.000 0.021 0.000 0.921 507 F CB 1.461 40.584 39.000 0.205 0.000 1.209 507 F HN 0.703 nan 8.300 nan 0.000 0.462 508 R N 2.266 122.819 120.500 0.088 0.000 2.474 508 R HA 0.669 5.010 4.340 0.002 0.000 0.295 508 R C -1.758 174.676 176.300 0.223 0.000 0.980 508 R CA -1.181 54.942 56.100 0.038 0.000 0.934 508 R CB 2.084 32.361 30.300 -0.038 0.000 1.101 508 R HN 0.790 nan 8.270 nan 0.000 0.469 509 L N 3.972 125.293 121.223 0.164 0.000 2.343 509 L HA 0.375 4.716 4.340 0.002 0.000 0.278 509 L C -1.091 175.835 176.870 0.094 0.000 0.996 509 L CA -0.672 54.293 54.840 0.209 0.000 0.831 509 L CB 1.926 44.128 42.059 0.238 0.000 1.232 509 L HN 0.390 nan 8.230 nan 0.000 0.413 510 V N 2.833 122.810 119.914 0.106 0.000 2.407 510 V HA 0.996 5.117 4.120 0.002 0.000 0.291 510 V C -0.027 176.159 176.094 0.153 0.000 1.018 510 V CA -0.435 61.870 62.300 0.008 0.000 0.842 510 V CB 0.901 32.614 31.823 -0.183 0.000 0.996 510 V HN 0.949 nan 8.190 nan 0.000 0.426 511 A N 5.386 128.308 122.820 0.170 0.000 2.337 511 A HA 0.986 5.307 4.320 0.002 0.000 0.329 511 A C -0.892 176.931 177.584 0.399 0.000 1.146 511 A CA -0.730 51.538 52.037 0.385 0.000 0.800 511 A CB 1.384 20.631 19.000 0.412 0.000 1.220 511 A HN 1.887 nan 8.150 nan 0.000 0.472 512 Y N 0.273 120.775 120.300 0.337 0.000 2.544 512 Y HA 0.727 5.278 4.550 0.001 0.000 0.342 512 Y C -1.155 174.963 175.900 0.363 0.000 1.062 512 Y CA -1.403 56.853 58.100 0.261 0.000 1.023 512 Y CB 1.050 39.711 38.460 0.335 0.000 1.308 512 Y HN 0.887 nan 8.280 nan 0.000 0.457 513 Y N -0.007 120.317 120.300 0.041 0.000 2.659 513 Y HA 0.908 5.459 4.550 0.001 0.000 0.333 513 Y C -0.850 174.928 175.900 -0.203 0.000 1.064 513 Y CA -1.239 56.708 58.100 -0.255 0.000 1.141 513 Y CB 1.742 40.065 38.460 -0.228 0.000 1.316 513 Y HN 0.891 nan 8.280 nan 0.000 0.509 514 T N 2.497 117.020 114.554 -0.052 0.000 2.923 514 T HA 0.720 5.072 4.350 0.002 0.000 0.311 514 T C -1.698 172.940 174.700 -0.103 0.000 1.183 514 T CA -0.567 61.488 62.100 -0.075 0.000 1.020 514 T CB 0.975 69.735 68.868 -0.180 0.000 1.165 514 T HN 1.259 nan 8.240 nan 0.000 0.482 515 L N 2.214 123.398 121.223 -0.066 0.000 2.838 515 L HA 0.861 5.203 4.340 0.002 0.000 0.266 515 L C -1.850 174.978 176.870 -0.070 0.000 1.040 515 L CA -1.461 53.333 54.840 -0.077 0.000 0.906 515 L CB 1.588 43.603 42.059 -0.073 0.000 1.501 515 L HN 0.750 nan 8.230 nan 0.000 0.407 516 I N 0.021 120.560 120.570 -0.051 0.000 2.412 516 I HA 1.030 5.201 4.170 0.002 0.000 0.296 516 I C 0.067 176.178 176.117 -0.011 0.000 0.987 516 I CA 0.418 61.694 61.300 -0.040 0.000 1.180 516 I CB 1.252 39.239 38.000 -0.021 0.000 1.340 516 I HN 0.929 nan 8.210 nan 0.000 0.455 517 G N 2.924 111.693 108.800 -0.052 0.000 2.489 517 G HA2 0.673 4.634 3.960 0.002 0.000 0.305 517 G HA3 0.673 4.634 3.960 0.002 0.000 0.305 517 G C -0.192 174.652 174.900 -0.093 0.000 1.311 517 G CA -0.134 44.925 45.100 -0.067 0.000 0.813 517 G HN 1.661 nan 8.290 nan 0.000 0.480 518 A N -0.599 122.198 122.820 -0.040 0.000 5.078 518 A HA -0.093 4.228 4.320 0.002 0.000 0.342 518 A C 1.433 179.046 177.584 0.049 0.000 1.749 518 A CA 3.313 55.366 52.037 0.026 0.000 0.700 518 A CB -1.912 17.037 19.000 -0.085 0.000 1.446 518 A HN 2.592 nan 8.150 nan 0.000 0.395 519 S N -0.306 115.391 115.700 -0.005 0.000 2.150 519 S HA 0.572 5.044 4.470 0.002 0.000 0.171 519 S C 0.960 175.551 174.600 -0.015 0.000 1.620 519 S CA 0.815 59.013 58.200 -0.003 0.000 1.190 519 S CB 0.183 63.375 63.200 -0.012 0.000 1.102 519 S HN 2.638 nan 8.310 nan 0.000 0.464 520 G N 1.707 110.503 108.800 -0.006 0.000 2.421 520 G HA2 -0.284 3.677 3.960 0.002 0.000 0.300 520 G HA3 -0.284 3.677 3.960 0.002 0.000 0.300 520 G C -0.220 174.661 174.900 -0.031 0.000 0.974 520 G CA 0.542 45.634 45.100 -0.014 0.000 1.062 520 G HN 0.827 nan 8.290 nan 0.000 0.514 521 Q N -1.251 118.519 119.800 -0.049 0.000 2.322 521 Q HA 0.585 4.927 4.340 0.002 0.000 0.265 521 Q C 0.342 176.293 176.000 -0.083 0.000 0.985 521 Q CA -1.178 54.583 55.803 -0.070 0.000 0.849 521 Q CB 0.862 29.547 28.738 -0.088 0.000 1.274 521 Q HN 0.300 nan 8.270 nan 0.000 0.449 522 R N 2.781 123.233 120.500 -0.079 0.000 2.296 522 R HA 0.176 4.517 4.340 0.002 0.000 0.323 522 R C -1.018 175.207 176.300 -0.125 0.000 1.067 522 R CA 0.380 56.432 56.100 -0.081 0.000 0.946 522 R CB 0.375 30.644 30.300 -0.051 0.000 0.991 522 R HN 0.647 nan 8.270 nan 0.000 0.448 523 E N 2.566 122.689 120.200 -0.129 0.000 2.263 523 E HA 0.547 4.898 4.350 0.002 0.000 0.264 523 E C -1.281 175.223 176.600 -0.159 0.000 0.923 523 E CA -1.152 55.142 56.400 -0.176 0.000 0.802 523 E CB 1.730 31.342 29.700 -0.148 0.000 1.228 523 E HN 0.373 nan 8.360 nan 0.000 0.417 524 V N 2.662 122.432 119.914 -0.240 0.000 2.488 524 V HA 0.344 4.465 4.120 0.002 0.000 0.293 524 V C -0.623 175.418 176.094 -0.088 0.000 1.027 524 V CA -0.879 61.335 62.300 -0.143 0.000 0.862 524 V CB 1.353 33.083 31.823 -0.154 0.000 1.008 524 V HN 0.390 nan 8.190 nan 0.000 0.428 525 V N 3.235 123.012 119.914 -0.228 0.000 2.581 525 V HA 1.015 5.136 4.120 0.002 0.000 0.303 525 V C 0.353 176.276 176.094 -0.285 0.000 1.041 525 V CA -0.020 62.122 62.300 -0.263 0.000 0.907 525 V CB 1.637 33.185 31.823 -0.457 0.000 0.994 525 V HN 1.175 nan 8.190 nan 0.000 0.442 526 A N 3.119 125.926 122.820 -0.022 0.000 2.568 526 A HA 0.901 5.223 4.320 0.002 0.000 0.291 526 A C -1.795 175.703 177.584 -0.144 0.000 1.159 526 A CA -0.500 51.547 52.037 0.017 0.000 0.679 526 A CB 2.136 21.254 19.000 0.196 0.000 1.285 526 A HN 0.784 nan 8.150 nan 0.000 0.428 527 D N -0.959 119.371 120.400 -0.117 0.000 2.812 527 D HA 0.519 5.160 4.640 0.002 0.000 0.210 527 D C -1.037 175.194 176.300 -0.116 0.000 1.260 527 D CA 0.382 54.291 54.000 -0.152 0.000 0.817 527 D CB 1.685 42.402 40.800 -0.138 0.000 1.694 527 D HN 0.835 nan 8.370 nan 0.000 0.530 528 S N 1.249 116.897 115.700 -0.088 0.000 2.482 528 S HA 0.793 5.264 4.470 0.002 0.000 0.303 528 S C -1.005 173.589 174.600 -0.010 0.000 1.091 528 S CA -0.821 57.347 58.200 -0.054 0.000 1.057 528 S CB 1.864 65.031 63.200 -0.055 0.000 1.031 528 S HN 0.561 nan 8.310 nan 0.000 0.485 529 V N 3.885 123.796 119.914 -0.004 0.000 2.638 529 V HA 0.721 4.842 4.120 0.002 0.000 0.306 529 V C -1.822 174.299 176.094 0.047 0.000 1.052 529 V CA -0.555 61.748 62.300 0.006 0.000 0.885 529 V CB 1.666 33.452 31.823 -0.062 0.000 0.999 529 V HN 1.030 nan 8.190 nan 0.000 0.424 530 W N 6.990 128.198 121.300 -0.153 0.000 2.469 530 W HA 0.760 5.421 4.660 0.002 0.000 0.320 530 W C -1.526 174.816 176.519 -0.296 0.000 1.086 530 W CA -1.254 55.961 57.345 -0.217 0.000 1.211 530 W CB 1.595 30.969 29.460 -0.144 0.000 1.298 530 W HN 0.414 nan 8.180 nan 0.000 0.525 531 V N 6.412 126.437 119.914 0.185 0.000 2.439 531 V HA 0.023 4.144 4.120 0.002 0.000 0.277 531 V C -0.650 175.457 176.094 0.022 0.000 1.008 531 V CA -0.826 61.397 62.300 -0.127 0.000 0.846 531 V CB 1.025 32.531 31.823 -0.529 0.000 1.031 531 V HN 0.506 nan 8.190 nan 0.000 0.441 532 D N 4.009 124.484 120.400 0.125 0.000 2.342 532 D HA 0.300 4.941 4.640 0.002 0.000 0.260 532 D C 0.112 176.439 176.300 0.044 0.000 1.278 532 D CA 0.227 54.342 54.000 0.192 0.000 0.910 532 D CB 1.099 41.970 40.800 0.119 0.000 1.079 532 D HN 0.282 nan 8.370 nan 0.000 0.496 533 V N 3.365 123.313 119.914 0.057 0.000 3.083 533 V HA 0.146 4.267 4.120 0.002 0.000 0.306 533 V C 0.597 176.676 176.094 -0.025 0.000 1.077 533 V CA -0.823 61.500 62.300 0.038 0.000 1.073 533 V CB 1.181 33.067 31.823 0.105 0.000 1.081 533 V HN 0.490 nan 8.190 nan 0.000 0.474 534 K N 2.067 122.452 120.400 -0.026 0.000 2.419 534 K HA 0.030 4.351 4.320 0.002 0.000 0.282 534 K C -0.659 175.889 176.600 -0.087 0.000 1.056 534 K CA 0.327 56.589 56.287 -0.041 0.000 1.035 534 K CB -0.611 31.876 32.500 -0.021 0.000 0.921 534 K HN 0.611 nan 8.250 nan 0.000 0.472 535 D N 2.373 122.703 120.400 -0.117 0.000 2.343 535 D HA 0.238 4.879 4.640 0.002 0.000 0.255 535 D C -0.658 175.646 176.300 0.007 0.000 1.187 535 D CA 0.467 54.332 54.000 -0.224 0.000 0.875 535 D CB 0.673 41.374 40.800 -0.164 0.000 1.136 535 D HN 0.582 nan 8.370 nan 0.000 0.469 536 S N 0.896 116.661 115.700 0.108 0.000 2.586 536 S HA 0.239 4.710 4.470 0.002 0.000 0.277 536 S C -0.324 174.515 174.600 0.397 0.000 1.131 536 S CA -1.095 57.273 58.200 0.282 0.000 0.848 536 S CB 0.099 63.369 63.200 0.117 0.000 1.091 536 S HN 0.517 nan 8.310 nan 0.000 0.453 537 C N 1.927 121.410 119.300 0.306 0.000 2.401 537 C HA 0.033 4.494 4.460 0.002 0.000 0.386 537 C C 2.392 177.528 174.990 0.244 0.000 1.411 537 C CA 0.629 59.781 59.018 0.223 0.000 1.575 537 C CB -0.701 27.083 27.740 0.073 0.000 2.564 537 C HN 0.746 nan 8.230 nan 0.000 0.580 538 V N 3.280 123.336 119.914 0.237 0.000 2.446 538 V HA 0.135 4.257 4.120 0.002 0.000 0.244 538 V C 1.665 177.826 176.094 0.113 0.000 1.039 538 V CA 1.858 64.274 62.300 0.194 0.000 1.045 538 V CB -1.347 30.601 31.823 0.209 0.000 0.681 538 V HN 1.062 nan 8.190 nan 0.000 0.459 539 G N 0.132 108.982 108.800 0.083 0.000 3.022 539 G HA2 0.497 4.458 3.960 0.002 0.000 0.157 539 G HA3 0.497 4.458 3.960 0.002 0.000 0.157 539 G C -0.100 174.830 174.900 0.050 0.000 1.468 539 G CA 0.524 45.659 45.100 0.058 0.000 1.058 539 G HN 0.653 nan 8.290 nan 0.000 0.581 540 S N -2.061 113.659 115.700 0.032 0.000 2.618 540 S HA 0.736 5.207 4.470 0.002 0.000 0.277 540 S C -1.744 172.860 174.600 0.007 0.000 1.138 540 S CA -0.647 57.568 58.200 0.024 0.000 0.844 540 S CB 2.144 65.360 63.200 0.027 0.000 1.127 540 S HN 1.031 nan 8.310 nan 0.000 0.474 541 L N 1.163 122.386 121.223 0.000 0.000 2.588 541 L HA 0.811 5.152 4.340 0.002 0.000 0.263 541 L C -1.742 175.124 176.870 -0.007 0.000 0.935 541 L CA -0.173 54.661 54.840 -0.010 0.000 0.891 541 L CB 1.726 43.766 42.059 -0.032 0.000 1.318 541 L HN 0.836 nan 8.230 nan 0.000 0.409 542 V N 4.501 124.413 119.914 -0.003 0.000 2.932 542 V HA 0.641 4.762 4.120 0.002 0.000 0.307 542 V C -1.250 174.845 176.094 0.001 0.000 1.147 542 V CA -0.608 61.691 62.300 -0.001 0.000 0.951 542 V CB 2.791 34.616 31.823 0.004 0.000 1.031 542 V HN 0.378 nan 8.190 nan 0.000 0.426 543 V N 5.609 125.523 119.914 0.000 0.000 2.327 543 V HA 0.397 4.518 4.120 0.002 0.000 0.272 543 V C 0.084 176.181 176.094 0.006 0.000 1.019 543 V CA -0.757 61.545 62.300 0.004 0.000 0.814 543 V CB 1.109 32.934 31.823 0.004 0.000 1.040 543 V HN 0.976 nan 8.190 nan 0.000 0.440 544 K N 1.774 122.179 120.400 0.007 0.000 2.583 544 K HA 0.754 5.075 4.320 0.002 0.000 0.263 544 K C 0.419 177.025 176.600 0.010 0.000 1.038 544 K CA -0.623 55.669 56.287 0.008 0.000 1.031 544 K CB 0.745 33.250 32.500 0.008 0.000 1.399 544 K HN 0.353 nan 8.250 nan 0.000 0.531 545 S N -1.559 114.147 115.700 0.011 0.000 2.603 545 S HA 0.282 4.753 4.470 0.002 0.000 0.268 545 S C 0.923 175.529 174.600 0.011 0.000 1.317 545 S CA -0.184 58.023 58.200 0.012 0.000 1.012 545 S CB 0.684 63.891 63.200 0.012 0.000 0.926 545 S HN 0.674 nan 8.310 nan 0.000 0.539 546 G N 1.718 110.524 108.800 0.011 0.000 2.518 546 G HA2 0.042 4.003 3.960 0.002 0.000 0.213 546 G HA3 0.042 4.003 3.960 0.002 0.000 0.213 546 G C 0.143 175.048 174.900 0.009 0.000 1.226 546 G CA -0.096 45.010 45.100 0.010 0.000 0.822 546 G HN 0.832 nan 8.290 nan 0.000 0.546 547 Q N 1.778 121.584 119.800 0.009 0.000 2.283 547 Q HA 0.162 4.503 4.340 0.002 0.000 0.269 547 Q C 0.952 176.957 176.000 0.008 0.000 1.187 547 Q CA 0.335 56.143 55.803 0.008 0.000 0.922 547 Q CB 1.066 29.809 28.738 0.008 0.000 1.323 547 Q HN 0.188 nan 8.270 nan 0.000 0.432 548 S N 2.060 117.765 115.700 0.008 0.000 2.393 548 S HA -0.245 4.226 4.470 0.002 0.000 0.234 548 S C 0.569 175.174 174.600 0.008 0.000 1.064 548 S CA 2.071 60.275 58.200 0.008 0.000 1.088 548 S CB 0.165 63.369 63.200 0.007 0.000 0.939 548 S HN 0.792 nan 8.310 nan 0.000 0.448 549 E N -0.748 119.456 120.200 0.008 0.000 2.367 549 E HA 0.510 4.861 4.350 0.002 0.000 0.273 549 E C -1.594 175.011 176.600 0.008 0.000 0.903 549 E CA -0.691 55.714 56.400 0.008 0.000 0.764 549 E CB 1.735 31.439 29.700 0.007 0.000 1.252 549 E HN 0.167 nan 8.360 nan 0.000 0.446 550 D N 0.361 120.765 120.400 0.008 0.000 2.926 550 D HA 0.190 4.831 4.640 0.002 0.000 0.282 550 D C -1.517 174.788 176.300 0.009 0.000 1.201 550 D CA -0.457 53.548 54.000 0.008 0.000 0.735 550 D CB 1.002 41.807 40.800 0.009 0.000 1.257 550 D HN 0.406 nan 8.370 nan 0.000 0.428 551 R N 0.587 121.091 120.500 0.008 0.000 2.553 551 R HA 0.478 4.819 4.340 0.002 0.000 0.263 551 R C 0.030 176.336 176.300 0.010 0.000 1.066 551 R CA -0.703 55.401 56.100 0.008 0.000 1.135 551 R CB 0.524 30.826 30.300 0.005 0.000 1.148 551 R HN 0.391 nan 8.270 nan 0.000 0.558 552 Q N 1.441 121.248 119.800 0.012 0.000 2.326 552 Q HA -0.029 4.312 4.340 0.002 0.000 0.314 552 Q C -1.946 174.060 176.000 0.010 0.000 1.091 552 Q CA -0.557 55.255 55.803 0.015 0.000 0.974 552 Q CB 0.031 28.779 28.738 0.017 0.000 1.220 552 Q HN 0.299 nan 8.270 nan 0.000 0.398 553 P HA 0.177 nan 4.420 nan 0.000 0.277 553 P C -1.058 176.245 177.300 0.004 0.000 1.276 553 P CA -0.429 62.676 63.100 0.009 0.000 0.788 553 P CB 0.638 32.346 31.700 0.013 0.000 1.114 554 V N 0.622 120.537 119.914 0.001 0.000 2.823 554 V HA 0.349 4.470 4.120 0.002 0.000 0.312 554 V C -2.361 173.732 176.094 -0.003 0.000 1.072 554 V CA -2.218 60.079 62.300 -0.006 0.000 0.937 554 V CB 1.747 33.564 31.823 -0.010 0.000 1.013 554 V HN 0.492 nan 8.190 nan 0.000 0.430 555 P HA 0.106 nan 4.420 nan 0.000 0.255 555 P C 0.827 178.127 177.300 -0.001 0.000 1.161 555 P CA 1.834 64.932 63.100 -0.003 0.000 0.768 555 P CB -0.009 31.685 31.700 -0.010 0.000 0.746 556 G N 1.785 110.588 108.800 0.004 0.000 2.176 556 G HA2 -0.277 3.685 3.960 0.002 0.000 0.253 556 G HA3 -0.277 3.685 3.960 0.002 0.000 0.253 556 G C 0.240 175.142 174.900 0.003 0.000 0.979 556 G CA -0.001 45.101 45.100 0.003 0.000 0.641 556 G HN 0.665 nan 8.290 nan 0.000 0.530 557 Q N 0.347 120.149 119.800 0.004 0.000 2.354 557 Q HA 0.477 4.818 4.340 0.002 0.000 0.244 557 Q C 0.405 176.409 176.000 0.006 0.000 0.969 557 Q CA -0.317 55.488 55.803 0.004 0.000 0.885 557 Q CB 0.417 29.157 28.738 0.003 0.000 1.241 557 Q HN 0.475 nan 8.270 nan 0.000 0.461 558 Q N 2.529 122.332 119.800 0.005 0.000 2.314 558 Q HA 0.305 4.646 4.340 0.002 0.000 0.258 558 Q C -0.919 175.086 176.000 0.008 0.000 0.954 558 Q CA 0.073 55.880 55.803 0.006 0.000 0.890 558 Q CB 0.750 29.491 28.738 0.005 0.000 1.210 558 Q HN 0.655 nan 8.270 nan 0.000 0.410 559 M N 1.945 121.551 119.600 0.009 0.000 2.386 559 M HA 0.422 4.903 4.480 0.002 0.000 0.293 559 M C -1.437 174.869 176.300 0.011 0.000 1.120 559 M CA -0.423 54.883 55.300 0.011 0.000 0.909 559 M CB 2.418 35.026 32.600 0.013 0.000 1.661 559 M HN 0.385 nan 8.290 nan 0.000 0.452 560 T N 4.585 119.145 114.554 0.010 0.000 2.771 560 T HA 0.553 4.904 4.350 0.002 0.000 0.291 560 T C -0.871 173.836 174.700 0.011 0.000 0.954 560 T CA -0.412 61.694 62.100 0.010 0.000 1.045 560 T CB 0.828 69.702 68.868 0.009 0.000 0.917 560 T HN 0.558 nan 8.240 nan 0.000 0.484 561 L N 3.607 124.837 121.223 0.011 0.000 2.309 561 L HA 0.553 4.894 4.340 0.002 0.000 0.282 561 L C -0.051 176.826 176.870 0.011 0.000 1.036 561 L CA -0.342 54.506 54.840 0.012 0.000 0.806 561 L CB 1.267 43.334 42.059 0.013 0.000 1.220 561 L HN 0.452 nan 8.230 nan 0.000 0.429 562 K N 5.163 125.570 120.400 0.011 0.000 2.274 562 K HA 0.602 4.923 4.320 0.002 0.000 0.262 562 K C -1.478 175.128 176.600 0.010 0.000 0.961 562 K CA -0.467 55.827 56.287 0.011 0.000 0.833 562 K CB 0.919 33.426 32.500 0.011 0.000 1.102 562 K HN 0.595 nan 8.250 nan 0.000 0.436 563 I N 3.913 124.489 120.570 0.010 0.000 2.420 563 I HA 0.206 4.378 4.170 0.002 0.000 0.282 563 I C -0.654 175.470 176.117 0.011 0.000 1.019 563 I CA -0.573 60.733 61.300 0.009 0.000 1.130 563 I CB 1.817 39.822 38.000 0.008 0.000 1.262 563 I HN 0.498 nan 8.210 nan 0.000 0.454 564 E N 5.178 125.385 120.200 0.011 0.000 2.055 564 E HA 0.601 4.952 4.350 0.002 0.000 0.274 564 E C 0.055 176.664 176.600 0.015 0.000 0.949 564 E CA -0.384 56.026 56.400 0.015 0.000 0.775 564 E CB 1.830 31.539 29.700 0.015 0.000 1.097 564 E HN 0.800 nan 8.360 nan 0.000 0.404 565 G N 2.310 111.122 108.800 0.020 0.000 2.788 565 G HA2 0.155 4.116 3.960 0.002 0.000 0.293 565 G HA3 0.155 4.116 3.960 0.002 0.000 0.293 565 G C -0.961 173.960 174.900 0.034 0.000 1.392 565 G CA -0.767 44.345 45.100 0.019 0.000 0.810 565 G HN 0.343 nan 8.290 nan 0.000 0.508 566 D N 0.377 120.797 120.400 0.033 0.000 2.455 566 D HA 0.088 4.730 4.640 0.002 0.000 0.241 566 D C 0.225 176.566 176.300 0.069 0.000 1.138 566 D CA 0.647 54.681 54.000 0.056 0.000 0.877 566 D CB 0.909 41.736 40.800 0.044 0.000 1.187 566 D HN 0.407 nan 8.370 nan 0.000 0.451 567 H N 0.226 119.303 119.070 0.011 0.000 3.064 567 H HA 0.132 4.690 4.556 0.003 0.000 0.329 567 H C 1.483 176.818 175.328 0.011 0.000 1.020 567 H CA 1.521 57.576 56.048 0.011 0.000 1.402 567 H CB 0.347 30.115 29.762 0.011 0.000 1.379 567 H HN 0.656 nan 8.280 nan 0.000 0.594 568 G N 2.243 110.690 108.800 -0.589 0.000 2.189 568 G HA2 -0.302 3.659 3.960 0.002 0.000 0.267 568 G HA3 -0.302 3.659 3.960 0.002 0.000 0.267 568 G C 0.566 175.374 174.900 -0.153 0.000 0.975 568 G CA 0.515 45.377 45.100 -0.396 0.000 0.644 568 G HN 1.013 nan 8.290 nan 0.000 0.537 569 A N -0.300 122.463 122.820 -0.095 0.000 2.386 569 A HA 0.675 4.996 4.320 0.002 0.000 0.246 569 A C 0.727 178.288 177.584 -0.037 0.000 1.089 569 A CA 0.879 52.891 52.037 -0.042 0.000 0.790 569 A CB 0.286 19.275 19.000 -0.019 0.000 1.042 569 A HN 1.015 nan 8.150 nan 0.000 0.497 570 R N 0.551 121.043 120.500 -0.013 0.000 2.460 570 R HA 0.575 4.916 4.340 0.002 0.000 0.303 570 R C -1.496 174.812 176.300 0.014 0.000 0.968 570 R CA -0.374 55.727 56.100 0.001 0.000 0.889 570 R CB 1.124 31.434 30.300 0.018 0.000 1.123 570 R HN 0.480 nan 8.270 nan 0.000 0.455 571 V N 5.005 124.928 119.914 0.015 0.000 2.581 571 V HA 0.476 4.597 4.120 0.002 0.000 0.303 571 V C -0.459 175.661 176.094 0.043 0.000 1.041 571 V CA -0.822 61.491 62.300 0.022 0.000 0.907 571 V CB 1.706 33.534 31.823 0.009 0.000 0.994 571 V HN 0.647 nan 8.190 nan 0.000 0.442 572 V N 2.896 122.852 119.914 0.070 0.000 2.483 572 V HA 0.674 4.795 4.120 0.002 0.000 0.297 572 V C -0.633 175.506 176.094 0.074 0.000 1.027 572 V CA -0.582 61.768 62.300 0.083 0.000 0.855 572 V CB 1.295 33.200 31.823 0.137 0.000 0.995 572 V HN 0.672 nan 8.190 nan 0.000 0.424 573 L N 4.660 125.914 121.223 0.051 0.000 2.352 573 L HA 0.919 5.261 4.340 0.002 0.000 0.269 573 L C -0.314 176.588 176.870 0.052 0.000 1.034 573 L CA -0.971 53.896 54.840 0.046 0.000 0.806 573 L CB 1.985 44.063 42.059 0.032 0.000 1.244 573 L HN 0.670 nan 8.230 nan 0.000 0.447 574 V N 0.997 120.944 119.914 0.056 0.000 2.966 574 V HA 0.777 4.898 4.120 0.002 0.000 0.288 574 V C -1.570 174.563 176.094 0.064 0.000 1.380 574 V CA -0.250 62.087 62.300 0.060 0.000 0.966 574 V CB 2.044 33.913 31.823 0.077 0.000 1.115 574 V HN 0.863 nan 8.190 nan 0.000 0.436 575 A N 5.386 128.241 122.820 0.059 0.000 2.355 575 A HA 0.943 5.265 4.320 0.002 0.000 0.317 575 A C -1.249 176.375 177.584 0.067 0.000 1.094 575 A CA -0.570 51.507 52.037 0.066 0.000 0.764 575 A CB 2.017 21.048 19.000 0.051 0.000 1.230 575 A HN 1.471 nan 8.150 nan 0.000 0.448 576 V N 2.370 122.343 119.914 0.099 0.000 2.525 576 V HA 0.244 4.365 4.120 0.002 0.000 0.299 576 V C -0.389 175.749 176.094 0.073 0.000 1.034 576 V CA -0.894 61.442 62.300 0.061 0.000 0.863 576 V CB 1.704 33.567 31.823 0.066 0.000 0.999 576 V HN 0.971 nan 8.190 nan 0.000 0.423 577 D N 3.854 124.256 120.400 0.004 0.000 2.570 577 D HA -0.042 4.599 4.640 0.002 0.000 0.243 577 D C 1.117 177.424 176.300 0.011 0.000 1.171 577 D CA 0.527 54.536 54.000 0.016 0.000 0.879 577 D CB 0.811 41.605 40.800 -0.010 0.000 1.143 577 D HN 0.531 nan 8.370 nan 0.000 0.511 578 K N 2.354 122.831 120.400 0.128 0.000 2.585 578 K HA -0.066 4.255 4.320 0.002 0.000 0.194 578 K C 1.760 178.432 176.600 0.120 0.000 1.037 578 K CA 0.535 56.980 56.287 0.265 0.000 0.964 578 K CB 0.105 32.738 32.500 0.222 0.000 0.787 578 K HN 0.507 nan 8.250 nan 0.000 0.488 579 G N 0.659 109.462 108.800 0.005 0.000 2.422 579 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 579 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 579 G C 1.480 176.283 174.900 -0.162 0.000 1.140 579 G CA 0.266 45.332 45.100 -0.056 0.000 0.775 579 G HN 0.078 nan 8.290 nan 0.000 0.545 580 V N 0.839 120.587 119.914 -0.276 0.000 2.231 580 V HA -0.205 3.916 4.120 0.002 0.000 0.248 580 V C 2.458 178.301 176.094 -0.418 0.000 1.054 580 V CA 1.813 63.830 62.300 -0.471 0.000 1.015 580 V CB -0.763 30.648 31.823 -0.686 0.000 0.638 580 V HN 0.359 nan 8.190 nan 0.000 0.444 581 F N -0.045 119.830 119.950 -0.126 0.000 2.529 581 F HA -0.097 4.431 4.527 0.002 0.000 0.297 581 F C 1.951 177.685 175.800 -0.111 0.000 1.114 581 F CA 0.817 58.754 58.000 -0.105 0.000 1.467 581 F CB -0.997 37.962 39.000 -0.069 0.000 1.096 581 F HN 0.019 nan 8.300 nan 0.000 0.586 582 V N -0.730 119.174 119.914 -0.017 0.000 3.406 582 V HA -0.102 4.020 4.120 0.002 0.000 0.263 582 V C 1.939 177.957 176.094 -0.126 0.000 1.172 582 V CA 0.908 63.165 62.300 -0.072 0.000 1.140 582 V CB -0.328 31.421 31.823 -0.123 0.000 0.784 582 V HN 0.359 nan 8.190 nan 0.000 0.467 583 L N -0.376 120.738 121.223 -0.181 0.000 2.357 583 L HA 0.316 4.657 4.340 0.002 0.000 0.211 583 L C 0.730 177.500 176.870 -0.165 0.000 1.075 583 L CA 0.575 55.281 54.840 -0.223 0.000 0.830 583 L CB 0.339 42.153 42.059 -0.409 0.000 0.996 583 L HN 0.405 nan 8.230 nan 0.000 0.467 584 N N 0.161 118.779 118.700 -0.137 0.000 2.600 584 N HA 0.076 4.817 4.740 0.002 0.000 0.272 584 N C -0.692 174.851 175.510 0.056 0.000 1.095 584 N CA -0.228 52.788 53.050 -0.056 0.000 0.993 584 N CB 1.399 39.836 38.487 -0.085 0.000 1.603 584 N HN 0.082 nan 8.380 nan 0.000 0.526 585 K N 1.272 121.735 120.400 0.104 0.000 2.478 585 K HA 0.329 4.651 4.320 0.002 0.000 0.205 585 K C -0.283 176.393 176.600 0.127 0.000 1.033 585 K CA -0.323 56.079 56.287 0.193 0.000 1.091 585 K CB 0.466 33.032 32.500 0.110 0.000 0.844 585 K HN 0.216 nan 8.250 nan 0.000 0.507 586 K N 1.114 121.575 120.400 0.101 0.000 2.098 586 K HA 0.262 4.583 4.320 0.002 0.000 0.258 586 K C -0.532 176.132 176.600 0.107 0.000 0.973 586 K CA -0.755 55.581 56.287 0.082 0.000 0.898 586 K CB 0.889 33.425 32.500 0.060 0.000 1.057 586 K HN 0.124 nan 8.250 nan 0.000 0.447 587 N N 0.096 118.854 118.700 0.098 0.000 2.901 587 N HA -0.158 4.583 4.740 0.002 0.000 0.248 587 N C -1.095 174.495 175.510 0.135 0.000 1.044 587 N CA 0.715 53.836 53.050 0.119 0.000 0.847 587 N CB -0.688 37.884 38.487 0.141 0.000 1.127 587 N HN 0.486 nan 8.380 nan 0.000 0.562 588 K N 0.295 120.767 120.400 0.120 0.000 2.180 588 K HA 0.278 4.599 4.320 0.002 0.000 0.251 588 K C -0.079 176.572 176.600 0.084 0.000 1.014 588 K CA -0.468 55.889 56.287 0.117 0.000 0.913 588 K CB 0.549 33.098 32.500 0.081 0.000 1.008 588 K HN -0.009 nan 8.250 nan 0.000 0.490 589 L N 1.216 122.484 121.223 0.074 0.000 2.326 589 L HA 0.285 4.627 4.340 0.002 0.000 0.278 589 L C -0.557 176.287 176.870 -0.043 0.000 1.092 589 L CA 0.691 55.548 54.840 0.028 0.000 0.810 589 L CB 1.308 43.389 42.059 0.038 0.000 1.153 589 L HN 0.544 nan 8.230 nan 0.000 0.439 590 T N 3.247 117.750 114.554 -0.084 0.000 2.903 590 T HA 0.208 4.559 4.350 0.002 0.000 0.299 590 T C 0.357 174.932 174.700 -0.207 0.000 1.093 590 T CA -0.213 61.820 62.100 -0.112 0.000 1.002 590 T CB 1.941 70.772 68.868 -0.062 0.000 1.127 590 T HN 0.615 nan 8.240 nan 0.000 0.488 591 Q N 1.021 120.682 119.800 -0.231 0.000 2.230 591 Q HA 0.009 4.350 4.340 0.002 0.000 0.202 591 Q C 1.960 177.743 176.000 -0.361 0.000 0.963 591 Q CA 1.544 57.111 55.803 -0.393 0.000 0.866 591 Q CB -0.148 28.393 28.738 -0.328 0.000 0.931 591 Q HN 0.604 nan 8.270 nan 0.000 0.452 592 S N 0.187 115.817 115.700 -0.116 0.000 2.423 592 S HA -0.069 4.402 4.470 0.002 0.000 0.231 592 S C 1.481 176.087 174.600 0.010 0.000 1.014 592 S CA 0.988 59.209 58.200 0.035 0.000 0.965 592 S CB -0.073 63.166 63.200 0.066 0.000 0.785 592 S HN 0.382 nan 8.310 nan 0.000 0.495 593 K N 0.906 121.275 120.400 -0.052 0.000 2.155 593 K HA 0.093 4.414 4.320 0.002 0.000 0.203 593 K C 1.830 178.420 176.600 -0.016 0.000 1.052 593 K CA 0.909 57.193 56.287 -0.004 0.000 0.948 593 K CB -0.243 32.266 32.500 0.014 0.000 0.728 593 K HN 0.367 nan 8.250 nan 0.000 0.448 594 I N -0.641 119.804 120.570 -0.207 0.000 2.233 594 I HA -0.216 3.955 4.170 0.002 0.000 0.243 594 I C 1.946 177.953 176.117 -0.182 0.000 1.093 594 I CA 1.248 62.362 61.300 -0.309 0.000 1.380 594 I CB -0.339 37.152 38.000 -0.849 0.000 1.067 594 I HN 0.274 nan 8.210 nan 0.000 0.413 595 W N 1.430 122.697 121.300 -0.056 0.000 2.342 595 W HA -0.280 4.381 4.660 0.001 0.000 0.297 595 W C 2.232 178.748 176.519 -0.005 0.000 1.213 595 W CA 0.927 58.257 57.345 -0.024 0.000 1.251 595 W CB -0.382 29.075 29.460 -0.006 0.000 1.136 595 W HN 0.209 nan 8.180 nan 0.000 0.526 596 D N -0.206 120.319 120.400 0.209 0.000 2.178 596 D HA -0.160 4.481 4.640 0.002 0.000 0.202 596 D C 1.934 178.296 176.300 0.103 0.000 0.974 596 D CA 1.136 55.223 54.000 0.145 0.000 0.841 596 D CB -0.059 40.808 40.800 0.111 0.000 0.953 596 D HN -0.101 nan 8.370 nan 0.000 0.478 597 V N -0.328 119.625 119.914 0.065 0.000 2.427 597 V HA -0.164 3.957 4.120 0.002 0.000 0.248 597 V C 2.374 178.438 176.094 -0.051 0.000 1.051 597 V CA 1.127 63.420 62.300 -0.012 0.000 1.048 597 V CB -0.011 31.763 31.823 -0.081 0.000 0.666 597 V HN 0.178 nan 8.190 nan 0.000 0.456 598 V N -0.771 119.134 119.914 -0.016 0.000 2.548 598 V HA -0.126 3.995 4.120 0.002 0.000 0.249 598 V C 2.469 178.668 176.094 0.176 0.000 1.055 598 V CA 1.438 63.809 62.300 0.119 0.000 1.065 598 V CB -0.500 31.483 31.823 0.266 0.000 0.681 598 V HN 0.512 nan 8.190 nan 0.000 0.462 599 E N 0.565 120.848 120.200 0.139 0.000 2.072 599 E HA -0.144 4.207 4.350 0.002 0.000 0.190 599 E C 2.177 178.822 176.600 0.074 0.000 0.982 599 E CA 0.822 57.269 56.400 0.079 0.000 0.803 599 E CB -0.118 29.634 29.700 0.087 0.000 0.755 599 E HN 0.515 nan 8.360 nan 0.000 0.453 600 K N 0.252 120.709 120.400 0.096 0.000 2.519 600 K HA -0.030 4.291 4.320 0.002 0.000 0.196 600 K C 1.290 177.956 176.600 0.109 0.000 1.041 600 K CA 0.623 56.963 56.287 0.090 0.000 0.954 600 K CB 0.118 32.668 32.500 0.082 0.000 0.774 600 K HN -0.039 nan 8.250 nan 0.000 0.480 601 A N 0.969 123.882 122.820 0.155 0.000 2.460 601 A HA 0.023 4.344 4.320 0.002 0.000 0.258 601 A C -0.195 177.478 177.584 0.148 0.000 1.300 601 A CA -0.320 51.842 52.037 0.209 0.000 0.913 601 A CB 0.034 19.274 19.000 0.399 0.000 1.031 601 A HN 0.075 nan 8.150 nan 0.000 0.512 602 D N 0.362 120.803 120.400 0.068 0.000 2.341 602 D HA 0.248 4.889 4.640 0.002 0.000 0.245 602 D C 1.336 177.640 176.300 0.007 0.000 1.106 602 D CA -0.189 53.812 54.000 0.000 0.000 0.905 602 D CB 0.735 41.468 40.800 -0.112 0.000 1.202 602 D HN 0.364 nan 8.370 nan 0.000 0.426 603 I N 0.153 120.719 120.570 -0.006 0.000 3.228 603 I HA 0.303 4.475 4.170 0.002 0.000 0.279 603 I C 1.255 177.370 176.117 -0.003 0.000 1.221 603 I CA -0.393 60.910 61.300 0.004 0.000 1.458 603 I CB -0.124 37.878 38.000 0.003 0.000 1.105 603 I HN 0.202 nan 8.210 nan 0.000 0.445 604 G N 0.549 109.326 108.800 -0.037 0.000 2.370 604 G HA2 0.351 4.312 3.960 0.002 0.000 0.272 604 G HA3 0.351 4.312 3.960 0.002 0.000 0.272 604 G C 0.138 175.025 174.900 -0.021 0.000 1.208 604 G CA -0.352 44.726 45.100 -0.037 0.000 0.856 604 G HN 0.452 nan 8.290 nan 0.000 0.500 605 c N 1.351 119.971 118.600 0.033 0.000 3.336 605 c HA 0.366 4.937 4.570 0.002 0.000 0.291 605 c C 1.181 175.338 174.090 0.111 0.000 1.363 605 c CA -0.203 56.166 56.329 0.067 0.000 1.737 605 c CB -0.877 41.670 42.510 0.063 0.000 2.274 605 c HN 0.635 nan 8.230 nan 0.000 0.663 606 T N 1.662 116.292 114.554 0.126 0.000 2.908 606 T HA 0.319 4.670 4.350 0.002 0.000 0.290 606 T C -1.889 172.964 174.700 0.255 0.000 1.034 606 T CA -0.441 61.751 62.100 0.153 0.000 1.010 606 T CB 2.203 71.138 68.868 0.112 0.000 1.068 606 T HN -0.134 nan 8.240 nan 0.000 0.481 607 P HA 0.159 nan 4.420 nan 0.000 0.215 607 P C 0.412 177.843 177.300 0.218 0.000 1.157 607 P CA 0.684 63.945 63.100 0.268 0.000 0.863 607 P CB 0.187 31.906 31.700 0.033 0.000 0.787 608 G N -2.970 105.918 108.800 0.147 0.000 2.698 608 G HA2 0.513 4.475 3.960 0.002 0.000 0.293 608 G HA3 0.513 4.475 3.960 0.002 0.000 0.293 608 G C -0.839 174.138 174.900 0.128 0.000 1.437 608 G CA 0.196 45.370 45.100 0.124 0.000 0.852 608 G HN 0.094 nan 8.290 nan 0.000 0.499 609 S N -2.171 113.583 115.700 0.090 0.000 3.740 609 S HA 0.347 4.818 4.470 0.002 0.000 0.637 609 S C 0.326 175.017 174.600 0.151 0.000 2.126 609 S CA 1.315 59.568 58.200 0.090 0.000 2.309 609 S CB -0.955 62.331 63.200 0.144 0.000 0.330 609 S HN 2.666 nan 8.310 nan 0.000 1.786 610 G N 0.138 109.060 108.800 0.203 0.000 2.718 610 G HA2 0.559 4.521 3.960 0.002 0.000 0.295 610 G HA3 0.559 4.521 3.960 0.002 0.000 0.295 610 G C 0.112 175.113 174.900 0.168 0.000 1.421 610 G CA 0.313 45.558 45.100 0.240 0.000 0.902 610 G HN 0.938 nan 8.290 nan 0.000 0.501 611 K N -0.757 119.602 120.400 -0.070 0.000 2.097 611 K HA -0.037 4.284 4.320 0.002 0.000 0.206 611 K C 0.268 176.729 176.600 -0.231 0.000 1.049 611 K CA 1.763 57.723 56.287 -0.545 0.000 0.933 611 K CB -0.124 32.151 32.500 -0.376 0.000 0.717 611 K HN 0.519 nan 8.250 nan 0.000 0.442 612 D N -1.179 119.198 120.400 -0.038 0.000 2.636 612 D HA -0.034 4.607 4.640 0.002 0.000 0.275 612 D C 1.076 177.533 176.300 0.260 0.000 1.130 612 D CA -0.761 53.208 54.000 -0.051 0.000 1.031 612 D CB -0.026 40.763 40.800 -0.018 0.000 1.451 612 D HN 0.143 nan 8.370 nan 0.000 0.505 613 Y N -0.536 119.828 120.300 0.106 0.000 2.181 613 Y HA -0.134 4.416 4.550 0.001 0.000 0.284 613 Y C 1.820 177.855 175.900 0.225 0.000 1.179 613 Y CA 1.976 60.215 58.100 0.231 0.000 1.179 613 Y CB -0.578 37.911 38.460 0.049 0.000 0.973 613 Y HN 0.346 nan 8.280 nan 0.000 0.519 614 A N 0.580 122.887 122.820 -0.856 0.000 2.208 614 A HA 0.269 4.590 4.320 0.002 0.000 0.209 614 A C 2.181 179.657 177.584 -0.181 0.000 1.161 614 A CA 0.704 52.252 52.037 -0.815 0.000 0.782 614 A CB -1.064 17.405 19.000 -0.885 0.000 0.816 614 A HN 0.659 nan 8.150 nan 0.000 0.477 615 G N -0.655 108.125 108.800 -0.032 0.000 2.447 615 G HA2 0.038 3.999 3.960 0.002 0.000 0.211 615 G HA3 0.038 3.999 3.960 0.002 0.000 0.211 615 G C 1.404 176.365 174.900 0.102 0.000 1.184 615 G CA 0.861 45.997 45.100 0.061 0.000 0.813 615 G HN 0.159 nan 8.290 nan 0.000 0.540 616 V N 0.639 120.621 119.914 0.113 0.000 2.311 616 V HA -0.299 3.822 4.120 0.002 0.000 0.259 616 V C 2.551 178.602 176.094 -0.072 0.000 1.086 616 V CA 2.195 64.505 62.300 0.017 0.000 1.078 616 V CB -0.540 31.257 31.823 -0.042 0.000 0.668 616 V HN 0.368 nan 8.190 nan 0.000 0.452 617 F N -0.672 119.250 119.950 -0.047 0.000 2.234 617 F HA -0.081 4.447 4.527 0.001 0.000 0.296 617 F C 2.660 178.457 175.800 -0.006 0.000 1.089 617 F CA 1.678 59.656 58.000 -0.037 0.000 1.343 617 F CB -0.350 38.599 39.000 -0.086 0.000 1.040 617 F HN 0.104 nan 8.300 nan 0.000 0.498 618 S N -0.815 114.977 115.700 0.153 0.000 2.501 618 S HA -0.080 4.391 4.470 0.002 0.000 0.220 618 S C 1.597 176.244 174.600 0.079 0.000 0.997 618 S CA 0.717 58.978 58.200 0.102 0.000 0.919 618 S CB -0.294 62.951 63.200 0.075 0.000 0.778 618 S HN 0.179 nan 8.310 nan 0.000 0.523 619 D N 2.146 122.592 120.400 0.077 0.000 2.085 619 D HA 0.176 4.817 4.640 0.002 0.000 0.199 619 D C 1.155 177.482 176.300 0.044 0.000 0.981 619 D CA 1.108 55.151 54.000 0.072 0.000 0.834 619 D CB -0.684 40.175 40.800 0.098 0.000 0.992 619 D HN 0.481 nan 8.370 nan 0.000 0.457 620 A N 0.218 123.048 122.820 0.018 0.000 2.406 620 A HA 0.452 4.773 4.320 0.002 0.000 0.243 620 A C 1.039 178.633 177.584 0.017 0.000 1.082 620 A CA 0.340 52.374 52.037 -0.005 0.000 0.786 620 A CB 0.067 19.047 19.000 -0.033 0.000 1.029 620 A HN 0.184 nan 8.150 nan 0.000 0.495 621 G N 0.410 109.216 108.800 0.010 0.000 2.852 621 G HA2 0.469 4.430 3.960 0.002 0.000 0.280 621 G HA3 0.469 4.430 3.960 0.002 0.000 0.280 621 G C -0.375 174.559 174.900 0.057 0.000 0.731 621 G CA 0.066 45.183 45.100 0.028 0.000 2.037 621 G HN 0.504 nan 8.290 nan 0.000 0.560 622 L N 0.708 121.987 121.223 0.093 0.000 2.469 622 L HA 0.623 4.964 4.340 0.002 0.000 0.256 622 L C -0.185 176.805 176.870 0.200 0.000 1.006 622 L CA -1.013 53.921 54.840 0.157 0.000 0.832 622 L CB 2.960 45.139 42.059 0.199 0.000 1.421 622 L HN 0.365 nan 8.230 nan 0.000 0.410 623 T N -1.442 113.231 114.554 0.198 0.000 2.893 623 T HA 0.621 4.972 4.350 0.002 0.000 0.293 623 T C -1.107 173.670 174.700 0.128 0.000 1.027 623 T CA -0.554 61.633 62.100 0.145 0.000 0.988 623 T CB 2.167 71.079 68.868 0.073 0.000 1.043 623 T HN 0.355 nan 8.240 nan 0.000 0.461 624 F N 1.851 121.686 119.950 -0.192 0.000 2.500 624 F HA 0.567 5.095 4.527 0.001 0.000 0.349 624 F C -0.725 174.952 175.800 -0.204 0.000 1.127 624 F CA -0.245 57.534 58.000 -0.368 0.000 0.998 624 F CB 1.554 39.904 39.000 -1.084 0.000 1.237 624 F HN 0.712 nan 8.300 nan 0.000 0.439 625 T N 4.264 118.595 114.554 -0.372 0.000 2.809 625 T HA 0.468 4.819 4.350 0.002 0.000 0.284 625 T C -0.609 173.913 174.700 -0.297 0.000 0.992 625 T CA -0.670 61.316 62.100 -0.189 0.000 0.957 625 T CB 1.299 70.124 68.868 -0.071 0.000 0.942 625 T HN 0.596 nan 8.240 nan 0.000 0.439 626 S N 1.466 117.101 115.700 -0.108 0.000 2.607 626 S HA 0.503 4.974 4.470 0.002 0.000 0.303 626 S C 1.600 176.242 174.600 0.071 0.000 1.086 626 S CA -0.331 57.852 58.200 -0.028 0.000 0.995 626 S CB 1.574 64.865 63.200 0.152 0.000 1.084 626 S HN 0.613 nan 8.310 nan 0.000 0.507 627 S N 2.239 118.002 115.700 0.104 0.000 2.368 627 S HA -0.179 4.292 4.470 0.002 0.000 0.226 627 S C 1.660 176.316 174.600 0.094 0.000 1.044 627 S CA 1.749 60.028 58.200 0.131 0.000 1.062 627 S CB -1.512 61.807 63.200 0.199 0.000 0.931 627 S HN 0.765 nan 8.310 nan 0.000 0.440 628 S N 1.021 116.770 115.700 0.082 0.000 2.584 628 S HA 0.315 4.786 4.470 0.002 0.000 0.240 628 S C 1.571 176.209 174.600 0.064 0.000 0.975 628 S CA 0.649 58.885 58.200 0.061 0.000 0.949 628 S CB -0.773 62.454 63.200 0.046 0.000 0.761 628 S HN 1.179 nan 8.310 nan 0.000 0.536 629 G N 0.891 109.739 108.800 0.081 0.000 2.179 629 G HA2 -0.270 3.691 3.960 0.002 0.000 0.260 629 G HA3 -0.270 3.691 3.960 0.002 0.000 0.260 629 G C -0.036 174.926 174.900 0.103 0.000 0.977 629 G CA -0.199 44.947 45.100 0.075 0.000 0.641 629 G HN 0.520 nan 8.290 nan 0.000 0.533 630 Q N 1.457 121.346 119.800 0.150 0.000 2.641 630 Q HA 0.404 4.745 4.340 0.002 0.000 0.225 630 Q C 0.857 177.051 176.000 0.324 0.000 1.309 630 Q CA 0.305 56.247 55.803 0.230 0.000 0.935 630 Q CB 0.165 29.016 28.738 0.189 0.000 1.557 630 Q HN 0.832 nan 8.270 nan 0.000 0.563 631 Q N -0.371 119.549 119.800 0.199 0.000 2.193 631 Q HA 0.550 4.891 4.340 0.002 0.000 0.246 631 Q C -0.373 175.660 176.000 0.055 0.000 0.959 631 Q CA -0.860 55.019 55.803 0.128 0.000 0.904 631 Q CB 1.065 29.838 28.738 0.059 0.000 1.238 631 Q HN 0.358 nan 8.270 nan 0.000 0.469 632 T N -1.905 112.644 114.554 -0.008 0.000 2.913 632 T HA 0.566 4.918 4.350 0.002 0.000 0.287 632 T C 0.361 175.045 174.700 -0.027 0.000 1.008 632 T CA -0.415 61.642 62.100 -0.072 0.000 1.067 632 T CB 1.019 69.858 68.868 -0.049 0.000 0.996 632 T HN 0.767 nan 8.240 nan 0.000 0.513 633 A N 3.175 125.978 122.820 -0.029 0.000 2.563 633 A HA 0.107 4.428 4.320 0.002 0.000 0.256 633 A C 0.905 178.486 177.584 -0.005 0.000 1.056 633 A CA -0.188 51.843 52.037 -0.009 0.000 0.775 633 A CB -0.580 18.421 19.000 0.001 0.000 0.973 633 A HN 0.938 nan 8.150 nan 0.000 0.516 634 Q N 2.473 122.260 119.800 -0.021 0.000 2.354 634 Q HA -0.023 4.318 4.340 0.002 0.000 0.310 634 Q C -0.042 175.957 176.000 -0.002 0.000 1.104 634 Q CA 0.577 56.359 55.803 -0.036 0.000 0.968 634 Q CB 0.380 29.059 28.738 -0.098 0.000 1.251 634 Q HN 0.742 nan 8.270 nan 0.000 0.411 635 R N 2.342 122.859 120.500 0.028 0.000 2.295 635 R HA 0.506 4.847 4.340 0.002 0.000 0.324 635 R C -0.879 175.514 176.300 0.155 0.000 0.968 635 R CA 0.403 56.548 56.100 0.074 0.000 0.837 635 R CB 0.956 31.303 30.300 0.078 0.000 1.133 635 R HN 0.704 nan 8.270 nan 0.000 0.450 636 A N 3.934 126.855 122.820 0.168 0.000 2.605 636 A HA 0.178 4.499 4.320 0.002 0.000 0.292 636 A C -0.544 177.154 177.584 0.190 0.000 1.055 636 A CA -0.314 51.917 52.037 0.322 0.000 0.969 636 A CB 0.532 19.720 19.000 0.313 0.000 1.236 636 A HN 0.623 nan 8.150 nan 0.000 0.534 637 E N -0.105 120.162 120.200 0.111 0.000 2.176 637 E HA 0.631 4.982 4.350 0.002 0.000 0.267 637 E C 0.592 177.217 176.600 0.041 0.000 0.893 637 E CA -0.522 55.918 56.400 0.066 0.000 0.761 637 E CB 1.083 30.818 29.700 0.059 0.000 1.133 637 E HN 0.224 nan 8.360 nan 0.000 0.409 638 L N 2.008 123.241 121.223 0.016 0.000 2.005 638 L HA -0.066 4.276 4.340 0.002 0.000 0.207 638 L C 0.830 177.711 176.870 0.018 0.000 1.072 638 L CA 1.034 55.875 54.840 0.003 0.000 0.744 638 L CB -0.318 41.732 42.059 -0.015 0.000 0.895 638 L HN 0.508 nan 8.230 nan 0.000 0.433 639 Q N -1.164 118.650 119.800 0.023 0.000 2.317 639 Q HA 0.225 4.566 4.340 0.002 0.000 0.229 639 Q C -0.156 175.866 176.000 0.037 0.000 0.984 639 Q CA -0.456 55.365 55.803 0.031 0.000 0.911 639 Q CB 1.099 29.854 28.738 0.028 0.000 1.217 639 Q HN 0.195 nan 8.270 nan 0.000 0.501 640 c N 1.906 120.531 118.600 0.041 0.000 2.767 640 c HA 0.168 4.739 4.570 0.002 0.000 0.353 640 c C -1.823 172.295 174.090 0.046 0.000 1.376 640 c CA -0.833 55.523 56.329 0.046 0.000 2.284 640 c CB -0.876 41.663 42.510 0.049 0.000 2.535 640 c HN 0.653 nan 8.230 nan 0.000 0.745 641 P HA 0.049 nan 4.420 nan 0.000 0.257 641 P C -0.564 176.764 177.300 0.046 0.000 1.189 641 P CA 0.621 63.750 63.100 0.049 0.000 0.780 641 P CB -0.048 31.684 31.700 0.054 0.000 0.772 642 Q N 4.720 124.545 119.800 0.041 0.000 2.618 642 Q HA -0.082 4.259 4.340 0.002 0.000 0.344 642 Q C -1.628 174.396 176.000 0.041 0.000 1.073 642 Q CA -0.821 55.005 55.803 0.038 0.000 1.105 642 Q CB -0.638 28.120 28.738 0.033 0.000 1.028 642 Q HN 0.392 nan 8.270 nan 0.000 0.397 643 P HA -0.108 nan 4.420 nan 0.000 0.256 643 P C -0.587 176.739 177.300 0.044 0.000 1.173 643 P CA 0.529 63.657 63.100 0.046 0.000 0.768 643 P CB 0.494 32.222 31.700 0.045 0.000 0.758 644 A N 3.314 126.161 122.820 0.046 0.000 2.545 644 A HA 0.618 4.939 4.320 0.002 0.000 0.277 644 A C 0.684 178.297 177.584 0.048 0.000 1.301 644 A CA 0.457 52.520 52.037 0.044 0.000 0.935 644 A CB -0.734 18.292 19.000 0.043 0.000 1.093 644 A HN 0.758 nan 8.150 nan 0.000 0.519 645 A N 0.000 122.852 122.820 0.053 0.000 2.254 645 A HA 0.000 4.321 4.320 0.002 0.000 0.244 645 A CA 0.000 52.074 52.037 0.061 0.000 0.836 645 A CB 0.000 19.034 19.000 0.057 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486