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 3ohx_1_D 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 -0.675 176.411 177.300 -0.357 0.000 1.209 2 P CA -0.240 62.700 63.100 -0.267 0.000 0.776 2 P CB 0.374 31.894 31.700 -0.300 0.000 0.876 3 M N 2.981 122.299 119.600 -0.469 0.000 2.326 3 M HA 0.356 4.836 4.480 0.000 0.000 0.292 3 M C -1.914 174.060 176.300 -0.543 0.000 1.081 3 M CA -0.709 54.370 55.300 -0.368 0.000 0.919 3 M CB 1.440 34.007 32.600 -0.055 0.000 1.634 3 M HN 0.257 nan 8.290 nan 0.000 0.451 4 Y N 1.872 122.030 120.300 -0.237 0.000 2.352 4 Y HA 0.563 5.114 4.550 0.000 0.000 0.339 4 Y C 0.282 176.021 175.900 -0.268 0.000 0.992 4 Y CA -0.581 57.174 58.100 -0.574 0.000 1.100 4 Y CB 1.808 39.396 38.460 -1.453 0.000 1.192 4 Y HN 0.627 nan 8.280 nan 0.000 0.458 5 S N 2.857 118.530 115.700 -0.045 0.000 2.503 5 S HA 0.754 5.224 4.470 0.000 0.000 0.301 5 S C -1.273 173.282 174.600 -0.075 0.000 1.087 5 S CA -0.668 57.442 58.200 -0.150 0.000 1.042 5 S CB 1.836 64.951 63.200 -0.142 0.000 1.043 5 S HN 0.467 nan 8.310 nan 0.000 0.489 6 I N 2.485 122.920 120.570 -0.225 0.000 2.406 6 I HA 0.563 4.734 4.170 0.000 0.000 0.290 6 I C -1.050 174.960 176.117 -0.178 0.000 0.999 6 I CA -1.727 59.526 61.300 -0.079 0.000 1.124 6 I CB 1.264 39.268 38.000 0.006 0.000 1.289 6 I HN 0.777 nan 8.210 nan 0.000 0.441 7 I N 6.802 127.356 120.570 -0.026 0.000 2.439 7 I HA 0.437 4.607 4.170 0.000 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 39.954 38.000 0.164 0.000 1.242 7 I HN 0.567 nan 8.210 nan 0.000 0.439 8 T N 2.878 117.496 114.554 0.107 0.000 2.887 8 T HA 0.606 4.956 4.350 0.000 0.000 0.292 8 T C -2.995 171.767 174.700 0.103 0.000 1.087 8 T CA -2.554 59.612 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 0.619 177.957 177.300 0.063 0.000 1.205 9 P CA -0.208 62.926 63.100 0.057 0.000 0.771 9 P CB 0.362 32.074 31.700 0.020 0.000 0.858 10 N N 1.606 120.340 118.700 0.057 0.000 2.258 10 N HA -0.094 4.646 4.740 0.000 0.000 0.187 10 N C 0.263 175.802 175.510 0.048 0.000 1.012 10 N CA 1.331 54.415 53.050 0.058 0.000 0.870 10 N CB -0.125 38.393 38.487 0.051 0.000 0.977 10 N HN 0.430 nan 8.380 nan 0.000 0.434 11 I N 0.617 121.203 120.570 0.027 0.000 2.611 11 I HA 0.161 4.331 4.170 0.000 0.000 0.287 11 I C -0.560 175.550 176.117 -0.012 0.000 1.184 11 I CA -0.522 60.782 61.300 0.006 0.000 1.054 11 I CB 1.942 39.931 38.000 -0.018 0.000 1.257 11 I HN -0.218 nan 8.210 nan 0.000 0.435 12 L N 5.551 126.780 121.223 0.009 0.000 2.567 12 L HA 0.592 4.932 4.340 0.000 0.000 0.238 12 L C 0.017 176.862 176.870 -0.040 0.000 1.168 12 L CA -0.734 54.115 54.840 0.016 0.000 0.817 12 L CB 0.569 42.693 42.059 0.107 0.000 1.409 12 L HN 0.515 nan 8.230 nan 0.000 0.502 13 R N -0.251 120.226 120.500 -0.039 0.000 2.698 13 R HA 0.572 4.912 4.340 0.000 0.000 0.275 13 R C -1.524 174.763 176.300 -0.021 0.000 1.001 13 R CA -0.826 55.229 56.100 -0.075 0.000 0.896 13 R CB 1.765 31.956 30.300 -0.182 0.000 1.218 13 R HN 0.349 nan 8.270 nan 0.000 0.462 14 L N 2.119 123.332 121.223 -0.016 0.000 2.417 14 L HA 0.247 4.587 4.340 0.000 0.000 0.268 14 L C 0.408 177.269 176.870 -0.014 0.000 1.158 14 L CA -0.048 54.792 54.840 -0.000 0.000 0.819 14 L CB 0.430 42.487 42.059 -0.003 0.000 1.112 14 L HN 0.777 nan 8.230 nan 0.000 0.458 15 E N -0.374 119.822 120.200 -0.006 0.000 2.883 15 E HA -0.224 4.126 4.350 0.000 0.000 0.271 15 E C -0.296 176.286 176.600 -0.030 0.000 1.049 15 E CA 0.741 57.128 56.400 -0.022 0.000 0.817 15 E CB -1.154 28.517 29.700 -0.048 0.000 1.407 15 E HN 0.733 nan 8.360 nan 0.000 0.434 16 S N -0.749 114.934 115.700 -0.028 0.000 2.569 16 S HA 0.463 4.933 4.470 0.000 0.000 0.280 16 S C -0.470 174.081 174.600 -0.081 0.000 1.111 16 S CA -1.076 57.097 58.200 -0.045 0.000 0.887 16 S CB 2.295 65.471 63.200 -0.039 0.000 1.095 16 S HN 0.143 nan 8.310 nan 0.000 0.476 17 E N 1.282 121.420 120.200 -0.103 0.000 2.344 17 E HA 0.287 4.637 4.350 0.000 0.000 0.270 17 E C -0.191 176.241 176.600 -0.280 0.000 1.021 17 E CA -0.139 56.152 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 1.201 121.068 120.200 -0.554 0.000 2.355 18 E HA 0.499 4.849 4.350 0.000 0.000 0.261 18 E C -0.767 175.440 176.600 -0.654 0.000 0.943 18 E CA -0.719 55.319 56.400 -0.604 0.000 0.806 18 E CB 2.227 31.508 29.700 -0.697 0.000 1.286 18 E HN 0.310 nan 8.360 nan 0.000 0.424 19 T N 1.212 115.540 114.554 -0.377 0.000 2.933 19 T HA 0.607 4.957 4.350 0.000 0.000 0.305 19 T C -0.326 174.350 174.700 -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 1.100 120.733 119.600 0.054 0.000 2.484 20 M HA 0.778 5.258 4.480 0.000 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 4.119 124.095 119.914 0.102 0.000 2.406 21 V HA 0.409 4.529 4.120 0.000 0.000 0.272 21 V C -0.173 176.003 176.094 0.137 0.000 1.043 21 V CA -0.534 61.835 62.300 0.115 0.000 0.915 21 V CB 0.706 32.615 31.823 0.143 0.000 0.988 21 V HN 0.777 nan 8.190 nan 0.000 0.466 22 L N 5.096 126.406 121.223 0.145 0.000 2.289 22 L HA 0.661 5.001 4.340 0.000 0.000 0.285 22 L C 0.116 177.105 176.870 0.198 0.000 1.049 22 L CA -0.151 54.825 54.840 0.227 0.000 0.804 22 L CB 1.039 43.224 42.059 0.209 0.000 1.195 22 L HN 0.636 nan 8.230 nan 0.000 0.428 23 E N 1.901 122.208 120.200 0.178 0.000 2.314 23 E HA 0.664 5.015 4.350 0.000 0.000 0.272 23 E C -1.228 175.243 176.600 -0.216 0.000 0.884 23 E CA -0.898 55.478 56.400 -0.040 0.000 0.753 23 E CB 2.610 32.237 29.700 -0.123 0.000 1.213 23 E HN 0.637 nan 8.360 nan 0.000 0.432 24 A N 3.256 125.929 122.820 -0.244 0.000 2.293 24 A HA 0.380 4.700 4.320 0.000 0.000 0.312 24 A C -1.035 176.292 177.584 -0.428 0.000 1.309 24 A CA -0.677 51.139 52.037 -0.369 0.000 0.839 24 A CB 0.310 19.168 19.000 -0.236 0.000 1.155 24 A HN 0.542 nan 8.150 nan 0.000 0.501 25 H N 2.207 121.143 119.070 -0.224 0.000 2.652 25 H HA 0.235 4.791 4.556 0.000 0.000 0.298 25 H C -0.547 174.684 175.328 -0.161 0.000 1.076 25 H CA 0.325 56.333 56.048 -0.068 0.000 1.360 25 H CB 1.077 30.847 29.762 0.014 0.000 1.421 25 H HN 0.832 nan 8.280 nan 0.000 0.464 26 D N 0.486 120.904 120.400 0.029 0.000 3.091 26 D HA -0.133 4.507 4.640 0.000 0.000 0.216 26 D C 0.119 176.350 176.300 -0.115 0.000 1.129 26 D CA 1.010 55.001 54.000 -0.015 0.000 0.913 26 D CB -1.066 39.728 40.800 -0.010 0.000 1.101 26 D HN 0.716 nan 8.370 nan 0.000 0.426 27 A N -0.355 122.313 122.820 -0.252 0.000 2.299 27 A HA 0.729 5.049 4.320 0.000 0.000 0.332 27 A C 0.159 177.627 177.584 -0.194 0.000 1.131 27 A CA -0.519 51.373 52.037 -0.241 0.000 0.844 27 A CB 1.439 20.262 19.000 -0.295 0.000 1.251 27 A HN -0.051 nan 8.150 nan 0.000 0.486 28 Q N -0.019 119.736 119.800 -0.074 0.000 2.306 28 Q HA 0.546 4.886 4.340 0.000 0.000 0.265 28 Q C 0.440 176.467 176.000 0.045 0.000 1.022 28 Q CA 0.391 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 1.806 nan 8.270 nan 0.000 0.449 29 G N 2.450 111.307 108.800 0.095 0.000 2.907 29 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 29 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 29 G C -0.962 174.006 174.900 0.114 0.000 1.448 29 G CA -0.497 44.658 45.100 0.093 0.000 0.911 29 G HN 0.631 nan 8.290 nan 0.000 0.553 30 D N -0.809 119.647 120.400 0.094 0.000 2.455 30 D HA 0.398 5.038 4.640 0.000 0.000 0.241 30 D C 0.442 176.800 176.300 0.096 0.000 1.138 30 D CA 0.209 54.268 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 4.224 124.210 119.914 0.119 0.000 2.409 31 V HA 0.326 4.446 4.120 0.000 0.000 0.290 31 V C -2.337 173.824 176.094 0.112 0.000 1.017 31 V CA -1.630 60.744 62.300 0.125 0.000 0.841 31 V CB 1.847 33.780 31.823 0.182 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 -1.037 176.262 177.300 -0.001 0.000 1.259 32 P CA -0.298 62.821 63.100 0.032 0.000 0.794 32 P CB 1.436 33.144 31.700 0.013 0.000 0.940 33 V N 2.128 122.017 119.914 -0.042 0.000 2.709 33 V HA 0.616 4.736 4.120 0.000 0.000 0.308 33 V C 0.047 176.045 176.094 -0.161 0.000 1.062 33 V CA -0.596 61.606 62.300 -0.162 0.000 0.901 33 V CB 2.167 33.840 31.823 -0.250 0.000 1.003 33 V HN 0.668 nan 8.190 nan 0.000 0.425 34 T N 1.163 115.596 114.554 -0.201 0.000 2.829 34 T HA 0.836 5.186 4.350 0.000 0.000 0.280 34 T C -0.912 173.672 174.700 -0.193 0.000 0.999 34 T CA -0.668 61.340 62.100 -0.153 0.000 0.983 34 T CB 1.677 70.479 68.868 -0.111 0.000 0.968 34 T HN 0.392 nan 8.240 nan 0.000 0.446 35 V N 3.091 122.910 119.914 -0.158 0.000 2.656 35 V HA 0.743 4.863 4.120 0.000 0.000 0.307 35 V C -0.133 175.853 176.094 -0.180 0.000 1.051 35 V CA -0.620 61.575 62.300 -0.175 0.000 0.893 35 V CB 2.199 33.927 31.823 -0.158 0.000 0.999 35 V HN 1.186 nan 8.190 nan 0.000 0.426 36 T N 3.308 117.738 114.554 -0.207 0.000 2.952 36 T HA 0.609 4.959 4.350 0.000 0.000 0.305 36 T C -0.781 173.692 174.700 -0.379 0.000 1.064 36 T CA -0.468 61.458 62.100 -0.289 0.000 1.008 36 T CB 1.921 70.652 68.868 -0.227 0.000 1.078 36 T HN 0.380 nan 8.240 nan 0.000 0.459 37 V N 3.822 123.437 119.914 -0.497 0.000 2.513 37 V HA 0.576 4.696 4.120 0.000 0.000 0.299 37 V C -0.446 175.323 176.094 -0.542 0.000 1.035 37 V CA -0.882 61.163 62.300 -0.424 0.000 0.889 37 V CB 1.425 33.011 31.823 -0.396 0.000 0.988 37 V HN 0.854 nan 8.190 nan 0.000 0.440 38 H N 2.210 121.254 119.070 -0.044 0.000 2.690 38 H HA 0.344 4.900 4.556 0.000 0.000 0.368 38 H C -0.719 174.637 175.328 0.045 0.000 1.150 38 H CA -0.725 55.320 56.048 -0.005 0.000 1.174 38 H CB 2.235 31.998 29.762 0.002 0.000 1.684 38 H HN 0.910 nan 8.280 nan 0.000 0.538 39 D N 1.311 121.809 120.400 0.163 0.000 2.364 39 D HA -0.035 4.605 4.640 0.000 0.000 0.236 39 D C -0.604 175.831 176.300 0.225 0.000 1.221 39 D CA 0.212 54.307 54.000 0.157 0.000 0.891 39 D CB 1.076 41.936 40.800 0.100 0.000 1.190 39 D HN 0.246 nan 8.370 nan 0.000 0.449 40 F N 0.545 120.544 119.950 0.081 0.000 2.529 40 F HA 0.481 5.008 4.527 0.000 0.000 0.320 40 F C -2.513 173.330 175.800 0.073 0.000 1.118 40 F CA -1.663 56.381 58.000 0.074 0.000 0.915 40 F CB 1.747 40.804 39.000 0.096 0.000 1.161 40 F HN 0.199 nan 8.300 nan 0.000 0.445 41 P HA 0.853 nan 4.420 nan 0.000 0.284 41 P C -0.196 176.914 177.300 -0.318 0.000 1.287 41 P CA -0.031 62.538 63.100 -0.884 0.000 0.824 41 P CB 1.515 32.541 31.700 -1.124 0.000 1.180 42 G N -0.246 108.409 108.800 -0.242 0.000 2.456 42 G HA2 -0.000 3.960 3.960 0.000 0.000 0.204 42 G HA3 -0.000 3.960 3.960 0.000 0.000 0.204 42 G C -1.395 173.442 174.900 -0.105 0.000 1.193 42 G CA -0.617 44.398 45.100 -0.141 0.000 1.220 42 G HN 0.667 nan 8.290 nan 0.000 0.565 43 K N -0.088 120.274 120.400 -0.062 0.000 2.589 43 K HA 0.522 4.842 4.320 0.000 0.000 0.253 43 K C -0.164 176.464 176.600 0.046 0.000 0.974 43 K CA -0.520 55.745 56.287 -0.037 0.000 0.835 43 K CB 2.175 34.605 32.500 -0.117 0.000 1.272 43 K HN 0.463 nan 8.250 nan 0.000 0.444 44 K N 2.114 122.594 120.400 0.133 0.000 2.491 44 K HA 0.184 4.505 4.320 0.000 0.000 0.211 44 K C -0.037 176.625 176.600 0.105 0.000 1.210 44 K CA -0.067 56.274 56.287 0.091 0.000 1.003 44 K CB 0.487 33.022 32.500 0.059 0.000 1.009 44 K HN 0.514 nan 8.250 nan 0.000 0.577 45 L N 1.109 122.469 121.223 0.229 0.000 3.660 45 L HA -0.202 4.138 4.340 0.000 0.000 0.440 45 L C 0.483 177.286 176.870 -0.112 0.000 1.262 45 L CA 0.399 55.251 54.840 0.019 0.000 0.837 45 L CB -1.252 40.860 42.059 0.090 0.000 1.689 45 L HN 0.113 nan 8.230 nan 0.000 0.890 46 V N -1.975 117.863 119.914 -0.126 0.000 2.720 46 V HA 0.027 4.147 4.120 0.000 0.000 0.256 46 V C 1.095 177.116 176.094 -0.121 0.000 1.082 46 V CA 1.612 63.857 62.300 -0.092 0.000 1.101 46 V CB -0.430 31.354 31.823 -0.064 0.000 0.693 46 V HN 0.540 nan 8.190 nan 0.000 0.479 47 L N 0.317 121.418 121.223 -0.204 0.000 2.849 47 L HA 0.420 4.760 4.340 0.000 0.000 0.256 47 L C 0.317 177.051 176.870 -0.227 0.000 0.951 47 L CA 0.567 55.297 54.840 -0.183 0.000 1.003 47 L CB 1.850 43.796 42.059 -0.188 0.000 1.408 47 L HN 0.175 nan 8.230 nan 0.000 0.463 48 S N -1.049 114.558 115.700 -0.154 0.000 2.628 48 S HA -0.027 4.444 4.470 0.000 0.000 0.246 48 S C 1.607 176.156 174.600 -0.085 0.000 1.062 48 S CA 0.341 58.458 58.200 -0.139 0.000 1.028 48 S CB 0.517 63.650 63.200 -0.112 0.000 0.985 48 S HN 0.689 nan 8.310 nan 0.000 0.551 49 S N 2.211 117.875 115.700 -0.060 0.000 2.407 49 S HA -0.153 4.317 4.470 0.000 0.000 0.235 49 S C 0.611 175.193 174.600 -0.029 0.000 1.036 49 S CA 0.929 59.109 58.200 -0.034 0.000 1.013 49 S CB -0.757 62.432 63.200 -0.018 0.000 0.820 49 S HN 0.556 nan 8.310 nan 0.000 0.476 50 E N 1.889 122.071 120.200 -0.031 0.000 2.316 50 E HA 0.508 4.858 4.350 0.000 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 1.029 30.736 29.700 0.011 0.000 1.022 50 E HN 0.432 nan 8.360 nan 0.000 0.418 51 K N 0.772 121.157 120.400 -0.026 0.000 2.469 51 K HA 0.560 4.880 4.320 0.000 0.000 0.254 51 K C -0.777 175.811 176.600 -0.020 0.000 0.939 51 K CA -0.493 55.773 56.287 -0.034 0.000 0.812 51 K CB 2.373 34.855 32.500 -0.030 0.000 1.301 51 K HN 0.406 nan 8.250 nan 0.000 0.433 52 T N 0.379 114.920 114.554 -0.022 0.000 2.786 52 T HA 0.493 4.843 4.350 0.000 0.000 0.316 52 T C -1.925 172.782 174.700 0.012 0.000 1.503 52 T CA -0.570 61.530 62.100 -0.001 0.000 1.019 52 T CB 1.311 70.183 68.868 0.007 0.000 1.415 52 T HN 0.179 nan 8.240 nan 0.000 0.496 53 V N 3.301 123.234 119.914 0.032 0.000 2.656 53 V HA 0.544 4.664 4.120 0.000 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 3.696 124.994 121.223 0.124 0.000 2.315 54 L HA 0.354 4.694 4.340 0.000 0.000 0.278 54 L C 0.483 177.456 176.870 0.173 0.000 1.088 54 L CA -0.050 54.882 54.840 0.154 0.000 0.899 54 L CB 0.466 42.658 42.059 0.221 0.000 1.277 54 L HN 0.677 nan 8.230 nan 0.000 0.431 55 T N 2.937 117.540 114.554 0.081 0.000 2.918 55 T HA 0.090 4.440 4.350 0.000 0.000 0.302 55 T C -1.502 173.167 174.700 -0.050 0.000 1.045 55 T CA -0.933 61.194 62.100 0.045 0.000 1.114 55 T CB 1.175 70.048 68.868 0.007 0.000 0.965 55 T HN 0.302 nan 8.240 nan 0.000 0.540 56 P HA -0.050 nan 4.420 nan 0.000 0.223 56 P C 1.226 178.402 177.300 -0.205 0.000 1.144 56 P CA 0.557 63.526 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 4.165 4.320 0.000 0.000 0.215 57 A C 1.885 179.396 177.584 -0.121 0.000 1.195 57 A CA 2.422 54.404 52.037 -0.090 0.000 0.616 57 A CB -1.855 17.116 19.000 -0.049 0.000 0.832 57 A HN 0.323 nan 8.150 nan 0.000 0.443 58 T N -3.045 111.434 114.554 -0.124 0.000 3.327 58 T HA 0.272 4.622 4.350 0.000 0.000 0.241 58 T C 0.093 174.675 174.700 -0.195 0.000 0.907 58 T CA 0.161 62.189 62.100 -0.120 0.000 0.931 58 T CB -1.010 67.819 68.868 -0.065 0.000 1.112 58 T HN 0.409 nan 8.240 nan 0.000 0.589 59 N N 3.056 121.564 118.700 -0.320 0.000 2.686 59 N HA -0.239 4.502 4.740 0.000 0.000 0.249 59 N C -0.302 174.968 175.510 -0.400 0.000 1.082 59 N CA 1.298 54.072 53.050 -0.459 0.000 0.725 59 N CB -1.782 36.501 38.487 -0.340 0.000 1.009 59 N HN 0.813 nan 8.380 nan 0.000 0.545 60 H N -3.899 115.119 119.070 -0.086 0.000 2.826 60 H HA -0.205 4.351 4.556 0.000 0.000 0.306 60 H C 0.006 175.292 175.328 -0.069 0.000 1.235 60 H CA 1.183 57.192 56.048 -0.065 0.000 1.150 60 H CB -1.740 27.967 29.762 -0.091 0.000 1.409 60 H HN 0.484 nan 8.280 nan 0.000 0.420 61 M N 0.717 120.325 119.600 0.014 0.000 2.181 61 M HA 0.460 4.941 4.480 0.000 0.000 0.323 61 M C 0.833 177.158 176.300 0.042 0.000 1.004 61 M CA -0.214 55.098 55.300 0.020 0.000 0.941 61 M CB 2.161 34.747 32.600 -0.023 0.000 1.579 61 M HN 0.372 nan 8.290 nan 0.000 0.427 62 G N 2.648 111.493 108.800 0.075 0.000 2.410 62 G HA2 0.436 4.396 3.960 0.000 0.000 0.330 62 G HA3 0.436 4.396 3.960 0.000 0.000 0.330 62 G C -0.827 174.106 174.900 0.056 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 0.266 118.991 118.700 0.040 0.000 2.417 63 N HA 0.377 5.117 4.740 0.000 0.000 0.274 63 N C -1.188 174.344 175.510 0.035 0.000 0.987 63 N CA -0.272 52.796 53.050 0.030 0.000 0.912 63 N CB 2.438 40.934 38.487 0.014 0.000 1.177 63 N HN 0.117 nan 8.380 nan 0.000 0.490 64 V N 2.477 122.418 119.914 0.044 0.000 2.357 64 V HA 0.382 4.502 4.120 0.000 0.000 0.284 64 V C -0.119 175.994 176.094 0.032 0.000 1.018 64 V CA -0.440 61.908 62.300 0.079 0.000 0.841 64 V CB 1.428 33.337 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 5.174 4.350 0.000 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 1.219 70.067 68.868 -0.033 0.000 0.954 65 T HN 0.578 nan 8.240 nan 0.000 0.438 66 F N -0.855 119.079 119.950 -0.026 0.000 2.668 66 F HA 0.829 5.356 4.527 0.000 0.000 0.309 66 F C -1.286 174.496 175.800 -0.030 0.000 1.117 66 F CA -1.226 56.755 58.000 -0.032 0.000 0.951 66 F CB 1.290 40.265 39.000 -0.040 0.000 1.323 66 F HN 0.456 nan 8.300 nan 0.000 0.451 67 T N 3.572 118.292 114.554 0.278 0.000 2.930 67 T HA 0.496 4.846 4.350 0.000 0.000 0.313 67 T C -0.389 174.417 174.700 0.178 0.000 1.019 67 T CA -0.295 61.901 62.100 0.159 0.000 1.004 67 T CB 0.737 69.635 68.868 0.050 0.000 0.987 67 T HN 0.640 nan 8.240 nan 0.000 0.456 68 I N 5.252 125.945 120.570 0.206 0.000 2.436 68 I HA 0.199 4.369 4.170 0.000 0.000 0.289 68 I C -1.840 174.309 176.117 0.053 0.000 1.083 68 I CA -1.912 59.453 61.300 0.108 0.000 1.372 68 I CB 0.533 38.601 38.000 0.113 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 -0.643 176.664 177.300 0.011 0.000 1.286 69 P CA -0.456 62.653 63.100 0.014 0.000 0.777 69 P CB 0.595 32.300 31.700 0.008 0.000 1.184 70 A N 0.420 123.244 122.820 0.006 0.000 3.165 70 A HA 0.299 4.620 4.320 0.000 0.000 0.331 70 A C -0.086 177.503 177.584 0.008 0.000 1.034 70 A CA -0.372 51.669 52.037 0.007 0.000 0.906 70 A CB -1.048 17.954 19.000 0.003 0.000 1.054 70 A HN 0.329 nan 8.150 nan 0.000 0.484 71 N N 0.764 119.470 118.700 0.010 0.000 2.354 71 N HA 0.120 4.860 4.740 0.000 0.000 0.246 71 N C 0.200 175.717 175.510 0.012 0.000 1.285 71 N CA -0.062 52.994 53.050 0.010 0.000 0.925 71 N CB 0.363 38.855 38.487 0.010 0.000 1.174 71 N HN 0.467 nan 8.380 nan 0.000 0.478 72 R N 1.766 122.273 120.500 0.011 0.000 2.543 72 R HA -0.068 4.272 4.340 0.000 0.000 0.348 72 R C 0.537 176.845 176.300 0.013 0.000 0.981 72 R CA 0.185 56.292 56.100 0.011 0.000 1.019 72 R CB -0.521 29.784 30.300 0.010 0.000 0.944 72 R HN 0.649 nan 8.270 nan 0.000 0.425 79 G N 1.087 109.878 108.800 -0.015 0.000 2.234 79 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 79 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 79 G C -0.271 174.623 174.900 -0.009 0.000 0.987 79 G CA 0.820 45.912 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 4.681 4.340 0.000 0.000 0.318 80 R C -0.473 175.812 176.300 -0.024 0.000 0.950 80 R CA -0.957 55.147 56.100 0.006 0.000 0.837 80 R CB 0.625 30.946 30.300 0.034 0.000 1.165 80 R HN 0.195 nan 8.270 nan 0.000 0.458 81 N N 3.110 121.769 118.700 -0.068 0.000 2.219 81 N HA -0.084 4.656 4.740 0.000 0.000 0.263 81 N C -0.386 174.962 175.510 -0.269 0.000 1.269 81 N CA 0.853 53.776 53.050 -0.212 0.000 0.831 81 N CB 0.458 38.749 38.487 -0.326 0.000 1.059 81 N HN 0.323 nan 8.380 nan 0.000 0.475 82 K N 1.469 121.709 120.400 -0.267 0.000 2.118 82 K HA 0.451 4.772 4.320 0.000 0.000 0.264 82 K C -0.341 176.033 176.600 -0.376 0.000 1.000 82 K CA -0.171 56.021 56.287 -0.158 0.000 0.929 82 K CB 0.824 33.294 32.500 -0.052 0.000 1.021 82 K HN 0.318 nan 8.250 nan 0.000 0.463 83 F N -0.324 119.661 119.950 0.057 0.000 2.740 83 F HA 0.622 5.149 4.527 0.000 0.000 0.357 83 F C -0.224 175.594 175.800 0.029 0.000 1.141 83 F CA -0.964 57.028 58.000 -0.013 0.000 1.044 83 F CB 1.439 40.332 39.000 -0.179 0.000 1.430 83 F HN 0.113 nan 8.300 nan 0.000 0.518 84 V N -0.345 119.706 119.914 0.230 0.000 3.159 84 V HA 0.664 4.784 4.120 0.000 0.000 0.308 84 V C -1.318 174.819 176.094 0.073 0.000 1.190 84 V CA -0.513 61.872 62.300 0.142 0.000 1.037 84 V CB 2.529 34.392 31.823 0.067 0.000 1.060 84 V HN 0.800 nan 8.190 nan 0.000 0.437 85 T N 2.154 116.756 114.554 0.079 0.000 2.912 85 T HA 0.571 4.921 4.350 0.000 0.000 0.326 85 T C -1.037 173.670 174.700 0.012 0.000 1.080 85 T CA -0.388 61.752 62.100 0.066 0.000 1.000 85 T CB 0.802 69.780 68.868 0.184 0.000 1.008 85 T HN 0.485 nan 8.240 nan 0.000 0.473 86 V N 5.582 125.475 119.914 -0.036 0.000 2.432 86 V HA 0.393 4.513 4.120 0.000 0.000 0.271 86 V C 0.232 176.295 176.094 -0.053 0.000 1.046 86 V CA -0.322 61.925 62.300 -0.089 0.000 0.945 86 V CB 1.221 32.989 31.823 -0.092 0.000 0.992 86 V HN 0.900 nan 8.190 nan 0.000 0.471 87 Q N 3.746 123.508 119.800 -0.064 0.000 2.381 87 Q HA 0.679 5.020 4.340 0.000 0.000 0.263 87 Q C -0.584 175.346 176.000 -0.118 0.000 1.030 87 Q CA -0.460 55.317 55.803 -0.044 0.000 0.772 87 Q CB 1.610 30.371 28.738 0.037 0.000 1.232 87 Q HN 0.863 nan 8.270 nan 0.000 0.476 88 A N 2.925 125.650 122.820 -0.159 0.000 2.287 88 A HA 0.585 4.905 4.320 0.000 0.000 0.317 88 A C -0.578 176.737 177.584 -0.447 0.000 1.220 88 A CA -0.486 51.350 52.037 -0.336 0.000 0.835 88 A CB 1.078 19.841 19.000 -0.394 0.000 1.180 88 A HN 0.591 nan 8.150 nan 0.000 0.500 89 T N 3.274 117.555 114.554 -0.455 0.000 2.874 89 T HA 0.447 4.797 4.350 0.000 0.000 0.321 89 T C -0.648 173.789 174.700 -0.437 0.000 1.075 89 T CA 0.064 61.959 62.100 -0.342 0.000 0.966 89 T CB -0.478 68.285 68.868 -0.174 0.000 1.001 89 T HN 0.360 nan 8.240 nan 0.000 0.476 90 F N 2.666 122.440 119.950 -0.295 0.000 2.444 90 F HA 0.487 5.014 4.527 0.000 0.000 0.360 90 F C 1.657 177.269 175.800 -0.314 0.000 1.106 90 F CA -0.049 57.724 58.000 -0.377 0.000 1.170 90 F CB 0.085 38.583 39.000 -0.837 0.000 1.113 90 F HN 0.849 nan 8.300 nan 0.000 0.521 91 G N 2.949 111.732 108.800 -0.028 0.000 2.686 91 G HA2 -0.391 3.569 3.960 0.000 0.000 0.329 91 G HA3 -0.391 3.569 3.960 0.000 0.000 0.329 91 G C 1.054 175.933 174.900 -0.036 0.000 1.187 91 G CA 0.977 46.067 45.100 -0.018 0.000 0.965 91 G HN 0.562 nan 8.290 nan 0.000 0.549 92 T N 1.003 115.541 114.554 -0.028 0.000 3.018 92 T HA 0.271 4.621 4.350 0.000 0.000 0.246 92 T C 1.061 175.744 174.700 -0.029 0.000 1.026 92 T CA 1.152 63.238 62.100 -0.023 0.000 1.081 92 T CB 0.104 68.969 68.868 -0.004 0.000 0.970 92 T HN 0.635 nan 8.240 nan 0.000 0.475 93 Q N 2.322 122.100 119.800 -0.038 0.000 2.349 93 Q HA 0.179 4.520 4.340 0.000 0.000 0.287 93 Q C -0.859 175.133 176.000 -0.012 0.000 1.044 93 Q CA 0.265 56.053 55.803 -0.024 0.000 0.918 93 Q CB 0.511 29.210 28.738 -0.066 0.000 1.242 93 Q HN 0.176 nan 8.270 nan 0.000 0.405 94 V N 6.053 125.981 119.914 0.022 0.000 2.398 94 V HA 0.507 4.627 4.120 0.000 0.000 0.282 94 V C -1.250 174.873 176.094 0.049 0.000 1.014 94 V CA -0.578 61.728 62.300 0.011 0.000 0.838 94 V CB 1.625 33.441 31.823 -0.012 0.000 1.018 94 V HN 0.620 nan 8.190 nan 0.000 0.432 95 V N 6.906 126.871 119.914 0.085 0.000 2.612 95 V HA 0.743 4.863 4.120 0.000 0.000 0.301 95 V C -0.128 175.989 176.094 0.039 0.000 1.046 95 V CA -0.348 62.012 62.300 0.100 0.000 0.946 95 V CB 1.860 33.808 31.823 0.208 0.000 1.003 95 V HN 1.014 nan 8.190 nan 0.000 0.459 96 E N 2.464 122.681 120.200 0.028 0.000 2.407 96 E HA 0.782 5.132 4.350 0.000 0.000 0.279 96 E C -1.473 175.126 176.600 -0.001 0.000 1.012 96 E CA -1.231 55.173 56.400 0.007 0.000 0.800 96 E CB 2.705 32.413 29.700 0.013 0.000 1.276 96 E HN 0.416 nan 8.360 nan 0.000 0.452 97 K N 0.610 121.000 120.400 -0.016 0.000 2.508 97 K HA 0.487 4.807 4.320 0.000 0.000 0.260 97 K C -2.022 174.538 176.600 -0.066 0.000 0.949 97 K CA -0.806 55.460 56.287 -0.035 0.000 0.834 97 K CB 2.550 35.034 32.500 -0.028 0.000 1.365 97 K HN 0.409 nan 8.250 nan 0.000 0.437 98 V N 3.713 123.549 119.914 -0.130 0.000 2.334 98 V HA 0.491 4.611 4.120 0.000 0.000 0.281 98 V C -0.538 175.435 176.094 -0.201 0.000 1.016 98 V CA -0.736 61.405 62.300 -0.266 0.000 0.832 98 V CB 1.057 32.577 31.823 -0.505 0.000 0.999 98 V HN 0.547 nan 8.190 nan 0.000 0.439 99 V N 5.021 124.906 119.914 -0.049 0.000 3.103 99 V HA 0.557 4.677 4.120 0.000 0.000 0.318 99 V C -0.265 176.065 176.094 0.393 0.000 1.114 99 V CA -1.014 61.350 62.300 0.106 0.000 1.020 99 V CB 2.228 34.101 31.823 0.083 0.000 1.085 99 V HN 0.656 nan 8.190 nan 0.000 0.446 100 L N 1.952 123.356 121.223 0.301 0.000 2.334 100 L HA 0.690 5.030 4.340 0.000 0.000 0.277 100 L C -0.409 176.438 176.870 -0.039 0.000 1.075 100 L CA 0.439 55.315 54.840 0.060 0.000 0.804 100 L CB 1.414 43.473 42.059 -0.000 0.000 1.174 100 L HN 0.452 nan 8.230 nan 0.000 0.438 101 V N 3.351 123.176 119.914 -0.148 0.000 2.864 101 V HA 0.675 4.796 4.120 0.000 0.000 0.314 101 V C -0.388 175.640 176.094 -0.110 0.000 1.073 101 V CA -0.584 61.666 62.300 -0.083 0.000 0.956 101 V CB 2.060 33.862 31.823 -0.035 0.000 1.023 101 V HN 0.870 nan 8.190 nan 0.000 0.435 102 S N 1.763 117.421 115.700 -0.071 0.000 2.536 102 S HA 0.572 5.043 4.470 0.000 0.000 0.298 102 S C 0.521 175.105 174.600 -0.027 0.000 1.083 102 S CA -0.705 57.461 58.200 -0.056 0.000 0.995 102 S CB 1.450 64.621 63.200 -0.047 0.000 1.058 102 S HN 0.597 nan 8.310 nan 0.000 0.488 103 L N 2.503 123.720 121.223 -0.010 0.000 2.395 103 L HA 0.119 4.459 4.340 0.000 0.000 0.218 103 L C 1.043 177.948 176.870 0.058 0.000 1.130 103 L CA 0.463 55.312 54.840 0.015 0.000 0.826 103 L CB -0.322 41.744 42.059 0.011 0.000 0.941 103 L HN 0.699 nan 8.230 nan 0.000 0.451 104 Q N 0.626 120.473 119.800 0.079 0.000 2.388 104 Q HA -0.070 4.270 4.340 0.000 0.000 0.302 104 Q C 1.135 177.270 176.000 0.224 0.000 1.149 104 Q CA -0.157 55.749 55.803 0.171 0.000 1.014 104 Q CB 0.656 29.511 28.738 0.195 0.000 1.072 104 Q HN 0.295 nan 8.270 nan 0.000 0.395 105 S N 1.608 117.427 115.700 0.200 0.000 2.335 105 S HA 0.003 4.473 4.470 0.000 0.000 0.216 105 S C 0.884 175.533 174.600 0.082 0.000 1.032 105 S CA 0.817 59.056 58.200 0.064 0.000 1.000 105 S CB 0.100 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 -0.861 107.931 108.800 -0.013 0.000 2.929 106 G HA2 0.519 4.479 3.960 0.000 0.000 0.123 106 G HA3 0.519 4.479 3.960 0.000 0.000 0.123 106 G C -1.741 172.813 174.900 -0.577 0.000 1.212 106 G CA -0.611 44.111 45.100 -0.629 0.000 1.238 106 G HN 0.219 nan 8.290 nan 0.000 0.617 107 Y N -0.570 119.670 120.300 -0.101 0.000 2.630 107 Y HA 0.860 5.411 4.550 0.000 0.000 0.337 107 Y C 0.016 175.391 175.900 -0.876 0.000 1.051 107 Y CA -1.125 56.717 58.100 -0.430 0.000 1.121 107 Y CB 2.021 40.296 38.460 -0.308 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 4.878 4.340 0.000 0.000 0.266 108 L C -1.725 174.537 176.870 -1.014 0.000 0.965 108 L CA -0.507 53.616 54.840 -1.195 0.000 0.833 108 L CB 1.967 43.170 42.059 -1.427 0.000 1.296 108 L HN 0.479 nan 8.230 nan 0.000 0.405 109 F N 2.975 122.877 119.950 -0.080 0.000 2.551 109 F HA 0.677 5.204 4.527 0.000 0.000 0.316 109 F C -0.091 175.808 175.800 0.166 0.000 1.089 109 F CA -0.719 57.330 58.000 0.081 0.000 0.915 109 F CB 1.939 40.996 39.000 0.095 0.000 1.186 109 F HN 0.115 nan 8.300 nan 0.000 0.456 110 I N 1.650 122.416 120.570 0.327 0.000 2.569 110 I HA 0.473 4.643 4.170 0.000 0.000 0.296 110 I C -0.868 175.421 176.117 0.287 0.000 1.028 110 I CA -0.755 60.696 61.300 0.251 0.000 1.082 110 I CB 2.095 40.206 38.000 0.186 0.000 1.264 110 I HN 0.559 nan 8.210 nan 0.000 0.429 111 Q N 3.902 123.857 119.800 0.257 0.000 2.323 111 Q HA 0.578 4.918 4.340 0.000 0.000 0.271 111 Q C -1.398 174.729 176.000 0.211 0.000 1.048 111 Q CA -0.636 55.322 55.803 0.258 0.000 0.792 111 Q CB 2.436 31.383 28.738 0.347 0.000 1.280 111 Q HN 0.834 nan 8.270 nan 0.000 0.441 112 T N -0.341 114.333 114.554 0.201 0.000 2.885 112 T HA 0.249 4.599 4.350 0.000 0.000 0.285 112 T C 0.746 175.568 174.700 0.205 0.000 1.019 112 T CA -0.558 61.658 62.100 0.194 0.000 1.010 112 T CB 1.234 70.212 68.868 0.183 0.000 1.022 112 T HN 0.666 nan 8.240 nan 0.000 0.466 113 D N 1.987 122.521 120.400 0.223 0.000 2.097 113 D HA -0.095 4.545 4.640 0.000 0.000 0.195 113 D C 0.473 176.811 176.300 0.063 0.000 0.989 113 D CA 1.209 55.301 54.000 0.153 0.000 0.827 113 D CB 0.041 40.929 40.800 0.146 0.000 0.966 113 D HN 0.631 nan 8.370 nan 0.000 0.456 114 K N -0.681 119.698 120.400 -0.035 0.000 2.280 114 K HA 0.405 4.725 4.320 0.000 0.000 0.234 114 K C 0.893 177.334 176.600 -0.265 0.000 1.028 114 K CA -0.312 55.756 56.287 -0.366 0.000 0.882 114 K CB 1.317 33.367 32.500 -0.750 0.000 1.194 114 K HN -0.018 nan 8.250 nan 0.000 0.458 115 T N -1.970 112.411 114.554 -0.288 0.000 3.060 115 T HA 0.266 4.616 4.350 0.000 0.000 0.249 115 T C 0.613 175.286 174.700 -0.045 0.000 1.079 115 T CA -0.069 61.997 62.100 -0.057 0.000 1.013 115 T CB -0.219 68.628 68.868 -0.035 0.000 0.975 115 T HN 0.537 nan 8.240 nan 0.000 0.518 116 I N -0.012 120.364 120.570 -0.323 0.000 2.731 116 I HA 0.500 4.670 4.170 0.000 0.000 0.289 116 I C -2.134 173.770 176.117 -0.355 0.000 1.399 116 I CA -1.230 59.972 61.300 -0.163 0.000 1.048 116 I CB 1.650 39.509 38.000 -0.235 0.000 1.345 116 I HN 0.024 nan 8.210 nan 0.000 0.425 117 Y N 3.527 123.969 120.300 0.237 0.000 2.602 117 Y HA 0.663 5.213 4.550 0.000 0.000 0.342 117 Y C 0.281 176.304 175.900 0.205 0.000 1.029 117 Y CA -0.716 57.512 58.100 0.214 0.000 1.080 117 Y CB 2.228 40.732 38.460 0.074 0.000 1.284 117 Y HN 0.544 nan 8.280 nan 0.000 0.485 118 T N -0.515 114.116 114.554 0.128 0.000 2.929 118 T HA 0.446 4.796 4.350 0.000 0.000 0.284 118 T C -2.941 171.718 174.700 -0.068 0.000 1.014 118 T CA -2.706 59.318 62.100 -0.126 0.000 1.051 118 T CB 1.497 70.110 68.868 -0.424 0.000 1.028 118 T HN 0.253 nan 8.240 nan 0.000 0.485 119 P HA 0.163 nan 4.420 nan 0.000 0.258 119 P C 1.019 178.248 177.300 -0.119 0.000 1.172 119 P CA 1.053 64.094 63.100 -0.098 0.000 0.762 119 P CB -0.006 31.652 31.700 -0.070 0.000 0.764 120 G N 2.356 111.063 108.800 -0.155 0.000 2.176 120 G HA2 -0.200 3.760 3.960 0.000 0.000 0.232 120 G HA3 -0.200 3.760 3.960 0.000 0.000 0.232 120 G C 0.083 174.902 174.900 -0.135 0.000 0.986 120 G CA 0.152 45.161 45.100 -0.153 0.000 0.643 120 G HN 0.825 nan 8.290 nan 0.000 0.522 121 S N 0.491 116.126 115.700 -0.109 0.000 2.429 121 S HA 0.685 5.155 4.470 0.000 0.000 0.302 121 S C 0.126 174.667 174.600 -0.097 0.000 1.115 121 S CA 0.172 58.343 58.200 -0.049 0.000 1.095 121 S CB 2.000 65.231 63.200 0.052 0.000 0.987 121 S HN 0.462 nan 8.310 nan 0.000 0.474 122 T N 3.026 117.512 114.554 -0.114 0.000 2.930 122 T HA 0.288 4.639 4.350 0.000 0.000 0.306 122 T C -0.046 174.518 174.700 -0.226 0.000 1.045 122 T CA -0.239 61.752 62.100 -0.181 0.000 1.134 122 T CB 0.439 69.234 68.868 -0.121 0.000 0.961 122 T HN 0.600 nan 8.240 nan 0.000 0.545 123 V N 5.255 124.937 119.914 -0.386 0.000 2.347 123 V HA 0.322 4.442 4.120 0.000 0.000 0.280 123 V C 0.228 176.229 176.094 -0.155 0.000 1.021 123 V CA -0.795 61.106 62.300 -0.664 0.000 0.847 123 V CB 0.943 31.998 31.823 -1.281 0.000 0.990 123 V HN 0.672 nan 8.190 nan 0.000 0.444 124 L N 6.623 127.838 121.223 -0.014 0.000 2.349 124 L HA 0.560 4.900 4.340 0.000 0.000 0.275 124 L C -0.493 176.487 176.870 0.184 0.000 1.115 124 L CA -0.335 54.554 54.840 0.083 0.000 0.820 124 L CB 0.477 42.569 42.059 0.054 0.000 1.135 124 L HN 0.808 nan 8.230 nan 0.000 0.445 125 Y N 0.777 121.026 120.300 -0.085 0.000 2.513 125 Y HA 0.670 5.221 4.550 0.000 0.000 0.340 125 Y C -0.953 174.878 175.900 -0.115 0.000 1.055 125 Y CA -1.363 56.688 58.100 -0.081 0.000 1.020 125 Y CB 1.438 39.842 38.460 -0.093 0.000 1.301 125 Y HN 0.422 nan 8.280 nan 0.000 0.453 126 R N 2.973 123.409 120.500 -0.107 0.000 2.562 126 R HA 0.640 4.980 4.340 0.000 0.000 0.298 126 R C -1.654 174.445 176.300 -0.335 0.000 0.961 126 R CA -1.070 54.811 56.100 -0.365 0.000 0.881 126 R CB 2.501 32.463 30.300 -0.563 0.000 1.159 126 R HN 0.713 nan 8.270 nan 0.000 0.450 127 I N 3.377 123.724 120.570 -0.371 0.000 2.354 127 I HA 0.230 4.401 4.170 0.000 0.000 0.286 127 I C -0.720 175.225 176.117 -0.286 0.000 1.007 127 I CA -0.210 60.961 61.300 -0.216 0.000 1.167 127 I CB 0.658 38.582 38.000 -0.127 0.000 1.320 127 I HN 0.371 nan 8.210 nan 0.000 0.458 128 F N 4.140 124.121 119.950 0.052 0.000 2.410 128 F HA 0.422 4.949 4.527 0.000 0.000 0.348 128 F C 0.968 176.815 175.800 0.078 0.000 1.106 128 F CA -0.553 57.491 58.000 0.074 0.000 1.163 128 F CB 1.083 40.144 39.000 0.102 0.000 1.129 128 F HN 0.359 nan 8.300 nan 0.000 0.516 129 T N 1.763 116.445 114.554 0.214 0.000 2.786 129 T HA 0.750 5.101 4.350 0.000 0.000 0.283 129 T C -0.767 174.074 174.700 0.236 0.000 0.992 129 T CA -0.675 61.535 62.100 0.184 0.000 0.954 129 T CB 0.826 69.803 68.868 0.182 0.000 0.934 129 T HN 0.658 nan 8.240 nan 0.000 0.440 130 V N 1.116 121.190 119.914 0.267 0.000 3.147 130 V HA 0.759 4.879 4.120 0.000 0.000 0.306 130 V C -0.500 175.669 176.094 0.124 0.000 1.209 130 V CA -1.461 60.962 62.300 0.205 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 0.503 119.235 118.700 0.052 0.000 2.322 131 N HA 0.217 4.957 4.740 0.000 0.000 0.270 131 N C 0.787 176.263 175.510 -0.057 0.000 1.286 131 N CA 0.052 53.087 53.050 -0.024 0.000 0.948 131 N CB -0.362 38.136 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 -0.089 0.000 2.561 132 H HA 0.060 4.617 4.556 0.000 0.000 0.278 132 H C 0.236 175.647 175.328 0.138 0.000 1.014 132 H CA 0.796 56.798 56.048 -0.075 0.000 1.211 132 H CB 0.386 30.090 29.762 -0.096 0.000 1.365 132 H HN 0.542 nan 8.280 nan 0.000 0.594 133 K N 0.634 121.153 120.400 0.197 0.000 2.387 133 K HA 0.135 4.456 4.320 0.000 0.000 0.198 133 K C 0.594 177.314 176.600 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 0.657 122.028 121.223 0.247 0.000 4.232 134 L HA -0.251 4.089 4.340 0.000 0.000 0.415 134 L C -0.430 176.519 176.870 0.131 0.000 1.168 134 L CA 0.311 55.283 54.840 0.221 0.000 0.966 134 L CB -1.628 40.536 42.059 0.174 0.000 2.052 134 L HN 0.264 nan 8.230 nan 0.000 0.887 135 L N 1.568 122.861 121.223 0.116 0.000 2.357 135 L HA 0.436 4.776 4.340 0.000 0.000 0.273 135 L C -1.599 175.319 176.870 0.081 0.000 1.080 135 L CA -1.745 53.142 54.840 0.080 0.000 0.803 135 L CB 0.877 42.973 42.059 0.062 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 -0.630 176.704 177.300 0.057 0.000 1.233 136 P CA 0.187 63.334 63.100 0.079 0.000 0.764 136 P CB 1.633 33.374 31.700 0.068 0.000 0.825 137 V N 3.495 123.444 119.914 0.058 0.000 3.166 137 V HA 0.832 4.952 4.120 0.000 0.000 0.317 137 V C 0.190 176.299 176.094 0.025 0.000 1.136 137 V CA -0.715 61.597 62.300 0.020 0.000 1.035 137 V CB 2.244 34.053 31.823 -0.024 0.000 1.110 137 V HN 0.678 nan 8.190 nan 0.000 0.450 138 G N 3.104 111.903 108.800 -0.003 0.000 2.728 138 G HA2 0.662 4.622 3.960 0.000 0.000 0.296 138 G HA3 0.662 4.622 3.960 0.000 0.000 0.296 138 G C -0.647 174.244 174.900 -0.016 0.000 1.401 138 G CA -0.551 44.554 45.100 0.008 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 0.005 0.000 3.150 139 R HA 0.664 5.004 4.340 0.000 0.000 0.236 139 R C -0.685 175.657 176.300 0.070 0.000 1.469 139 R CA -0.727 55.368 56.100 -0.008 0.000 1.045 139 R CB 0.672 30.888 30.300 -0.139 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 0.095 0.000 2.824 140 T HA 0.488 4.839 4.350 0.000 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 0.096 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 4.594 124.551 119.914 0.071 0.000 2.735 141 V HA 0.565 4.685 4.120 0.000 0.000 0.310 141 V C -0.372 175.658 176.094 -0.108 0.000 1.061 141 V CA -1.002 61.295 62.300 -0.006 0.000 0.913 141 V CB 2.040 33.823 31.823 -0.067 0.000 1.005 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 3.825 123.254 119.600 -0.285 0.000 2.404 142 M HA 0.691 5.171 4.480 0.000 0.000 0.338 142 M C -1.046 175.008 176.300 -0.411 0.000 1.150 142 M CA -0.753 54.321 55.300 -0.377 0.000 1.016 142 M CB 1.714 33.959 32.600 -0.591 0.000 1.672 142 M HN 0.322 nan 8.290 nan 0.000 0.448 143 V N 3.061 122.837 119.914 -0.230 0.000 2.524 143 V HA 0.393 4.513 4.120 0.000 0.000 0.297 143 V C -0.335 175.696 176.094 -0.106 0.000 1.035 143 V CA -0.873 61.340 62.300 -0.145 0.000 0.867 143 V CB 1.938 33.752 31.823 -0.014 0.000 1.004 143 V HN 0.841 nan 8.190 nan 0.000 0.426 144 N N 4.181 122.812 118.700 -0.115 0.000 2.466 144 N HA 0.644 5.384 4.740 0.000 0.000 0.294 144 N C -1.035 174.386 175.510 -0.149 0.000 1.129 144 N CA -0.597 52.391 53.050 -0.104 0.000 0.931 144 N CB 2.669 41.114 38.487 -0.069 0.000 1.193 144 N HN 0.518 nan 8.380 nan 0.000 0.500 145 I N 1.595 122.040 120.570 -0.208 0.000 2.502 145 I HA 0.196 4.366 4.170 0.000 0.000 0.276 145 I C -0.143 175.836 176.117 -0.229 0.000 1.057 145 I CA -0.390 60.735 61.300 -0.291 0.000 1.163 145 I CB 0.908 38.522 38.000 -0.644 0.000 1.288 145 I HN 0.273 nan 8.210 nan 0.000 0.479 146 E N 4.913 124.993 120.200 -0.199 0.000 2.338 146 E HA 0.104 4.454 4.350 0.000 0.000 0.272 146 E C -0.128 176.152 176.600 -0.534 0.000 1.029 146 E CA -0.472 55.761 56.400 -0.278 0.000 0.872 146 E CB 1.034 30.596 29.700 -0.230 0.000 1.015 146 E HN 0.525 nan 8.360 nan 0.000 0.417 147 N N 3.081 121.293 118.700 -0.813 0.000 2.364 147 N HA 0.114 4.854 4.740 0.000 0.000 0.264 147 N C -2.250 172.613 175.510 -1.077 0.000 1.263 147 N CA -1.772 50.267 53.050 -1.685 0.000 0.959 147 N CB -0.022 37.660 38.487 -1.341 0.000 1.204 147 N HN 0.036 nan 8.380 nan 0.000 0.550 148 P HA 0.035 nan 4.420 nan 0.000 0.242 148 P C -0.181 176.920 177.300 -0.332 0.000 1.197 148 P CA 0.930 63.695 63.100 -0.559 0.000 0.765 148 P CB -0.084 31.394 31.700 -0.371 0.000 0.936 149 E N -1.340 118.665 120.200 -0.325 0.000 2.499 149 E HA 0.347 4.697 4.350 0.000 0.000 0.199 149 E C 0.961 177.444 176.600 -0.194 0.000 1.016 149 E CA 0.157 56.435 56.400 -0.204 0.000 0.933 149 E CB -0.409 29.197 29.700 -0.156 0.000 1.050 149 E HN 0.070 nan 8.360 nan 0.000 0.462 150 G N 1.812 110.465 108.800 -0.246 0.000 2.179 150 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 150 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 150 G C 0.184 174.978 174.900 -0.177 0.000 0.977 150 G CA -0.024 44.960 45.100 -0.194 0.000 0.641 150 G HN 0.304 nan 8.290 nan 0.000 0.533 151 I N 1.640 122.089 120.570 -0.203 0.000 2.297 151 I HA 0.275 4.446 4.170 0.000 0.000 0.291 151 I C -2.069 173.959 176.117 -0.147 0.000 1.033 151 I CA -2.951 58.263 61.300 -0.144 0.000 1.253 151 I CB 0.486 38.418 38.000 -0.114 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 1.075 178.342 177.300 -0.056 0.000 1.161 152 P CA 0.466 63.513 63.100 -0.088 0.000 0.768 152 P CB 0.346 32.017 31.700 -0.048 0.000 0.746 153 V N 1.149 121.031 119.914 -0.053 0.000 3.621 153 V HA 0.331 4.451 4.120 0.000 0.000 0.285 153 V C 0.451 176.596 176.094 0.084 0.000 1.346 153 V CA 0.569 62.905 62.300 0.060 0.000 1.104 153 V CB -0.533 31.415 31.823 0.209 0.000 0.913 153 V HN 0.444 nan 8.190 nan 0.000 0.432 154 K N 1.406 121.793 120.400 -0.021 0.000 2.622 154 K HA 0.345 4.665 4.320 0.000 0.000 0.263 154 K C -2.001 174.572 176.600 -0.045 0.000 0.947 154 K CA -0.350 55.940 56.287 0.005 0.000 0.885 154 K CB 1.827 34.362 32.500 0.058 0.000 1.362 154 K HN 0.477 nan 8.250 nan 0.000 0.413 155 Q N 2.700 122.499 119.800 -0.001 0.000 2.389 155 Q HA 0.534 4.875 4.340 0.000 0.000 0.277 155 Q C -1.393 174.614 176.000 0.010 0.000 1.082 155 Q CA -0.896 54.899 55.803 -0.014 0.000 0.810 155 Q CB 2.788 31.514 28.738 -0.019 0.000 1.374 155 Q HN 0.519 nan 8.270 nan 0.000 0.422 156 D N 0.538 120.938 120.400 -0.001 0.000 2.531 156 D HA 0.499 5.139 4.640 0.000 0.000 0.244 156 D C -1.067 175.218 176.300 -0.025 0.000 1.090 156 D CA -0.594 53.407 54.000 0.002 0.000 0.989 156 D CB 2.054 42.863 40.800 0.014 0.000 1.433 156 D HN 0.406 nan 8.370 nan 0.000 0.492 157 S N 0.338 116.028 115.700 -0.016 0.000 2.659 157 S HA 0.598 5.068 4.470 0.000 0.000 0.312 157 S C -1.466 173.125 174.600 -0.016 0.000 1.114 157 S CA -0.545 57.642 58.200 -0.021 0.000 1.063 157 S CB 0.406 63.605 63.200 -0.001 0.000 0.996 157 S HN 0.277 nan 8.310 nan 0.000 0.478 158 L N 3.248 124.456 121.223 -0.024 0.000 2.370 158 L HA 0.704 5.044 4.340 0.000 0.000 0.266 158 L C -0.149 176.718 176.870 -0.006 0.000 1.002 158 L CA -0.156 54.671 54.840 -0.023 0.000 0.818 158 L CB 2.147 44.179 42.059 -0.046 0.000 1.325 158 L HN 0.601 nan 8.230 nan 0.000 0.418 159 S N -0.062 115.636 115.700 -0.003 0.000 2.549 159 S HA 0.491 4.961 4.470 0.000 0.000 0.297 159 S C 0.512 175.114 174.600 0.003 0.000 1.115 159 S CA 0.012 58.218 58.200 0.010 0.000 1.059 159 S CB 1.100 64.305 63.200 0.009 0.000 1.046 159 S HN 0.711 nan 8.310 nan 0.000 0.506 160 S N 2.890 118.601 115.700 0.019 0.000 2.582 160 S HA 0.212 4.682 4.470 0.000 0.000 0.234 160 S C 0.176 174.782 174.600 0.011 0.000 0.961 160 S CA -0.366 57.843 58.200 0.014 0.000 0.953 160 S CB -0.057 63.167 63.200 0.042 0.000 0.800 160 S HN 0.658 nan 8.310 nan 0.000 0.471 161 Q N 2.641 122.445 119.800 0.007 0.000 2.297 161 Q HA 0.279 4.619 4.340 0.000 0.000 0.267 161 Q C -0.072 175.928 176.000 0.000 0.000 1.006 161 Q CA 0.583 56.388 55.803 0.003 0.000 0.896 161 Q CB -0.080 28.659 28.738 0.002 0.000 1.186 161 Q HN 0.426 nan 8.270 nan 0.000 0.392 162 N N 2.905 121.606 118.700 0.002 0.000 2.714 162 N HA -0.222 4.518 4.740 0.000 0.000 0.250 162 N C -0.578 174.930 175.510 -0.003 0.000 1.117 162 N CA 1.051 54.101 53.050 -0.000 0.000 0.719 162 N CB -1.099 37.387 38.487 -0.002 0.000 1.081 162 N HN 0.635 nan 8.380 nan 0.000 0.557 163 Q N -0.134 119.665 119.800 -0.001 0.000 2.159 163 Q HA 0.410 4.750 4.340 0.000 0.000 0.217 163 Q C 0.317 176.320 176.000 0.003 0.000 0.818 163 Q CA -0.472 55.327 55.803 -0.007 0.000 1.008 163 Q CB 0.338 29.064 28.738 -0.020 0.000 1.148 163 Q HN 0.335 nan 8.270 nan 0.000 0.491 164 L N -0.277 120.954 121.223 0.014 0.000 4.001 164 L HA -0.267 4.073 4.340 0.000 0.000 0.413 164 L C 0.681 177.581 176.870 0.050 0.000 1.185 164 L CA 1.518 56.374 54.840 0.027 0.000 0.963 164 L CB -1.378 40.693 42.059 0.020 0.000 1.976 164 L HN 0.473 nan 8.230 nan 0.000 0.939 165 G N -2.157 106.673 108.800 0.049 0.000 2.136 165 G HA2 -0.191 3.769 3.960 0.000 0.000 0.242 165 G HA3 -0.191 3.769 3.960 0.000 0.000 0.242 165 G C 0.111 175.055 174.900 0.074 0.000 0.989 165 G CA 0.112 45.261 45.100 0.082 0.000 0.682 165 G HN 1.117 nan 8.290 nan 0.000 0.522 166 V N 0.930 120.846 119.914 0.004 0.000 2.409 166 V HA 0.576 4.696 4.120 0.000 0.000 0.290 166 V C 0.229 176.229 176.094 -0.157 0.000 1.017 166 V CA -0.719 61.517 62.300 -0.106 0.000 0.841 166 V CB 1.695 33.488 31.823 -0.051 0.000 1.003 166 V HN 0.285 nan 8.190 nan 0.000 0.426 167 L N 7.160 128.245 121.223 -0.230 0.000 2.283 167 L HA 0.461 4.801 4.340 0.000 0.000 0.281 167 L C -2.414 174.283 176.870 -0.288 0.000 1.033 167 L CA -1.526 53.187 54.840 -0.211 0.000 0.848 167 L CB 1.384 43.337 42.059 -0.177 0.000 1.226 167 L HN 0.381 nan 8.230 nan 0.000 0.429 168 P HA 0.378 nan 4.420 nan 0.000 0.270 168 P C -0.683 176.409 177.300 -0.347 0.000 1.223 168 P CA -0.063 62.876 63.100 -0.268 0.000 0.785 168 P CB 0.955 32.550 31.700 -0.175 0.000 0.923 169 L N 0.187 121.132 121.223 -0.463 0.000 2.869 169 L HA 0.492 4.832 4.340 0.000 0.000 0.265 169 L C -0.720 175.847 176.870 -0.505 0.000 1.011 169 L CA -0.301 54.160 54.840 -0.632 0.000 0.913 169 L CB 2.030 43.346 42.059 -1.239 0.000 1.490 169 L HN 0.515 nan 8.230 nan 0.000 0.410 170 S N -0.624 114.965 115.700 -0.184 0.000 2.671 170 S HA 0.827 5.298 4.470 0.000 0.000 0.277 170 S C -2.155 172.687 174.600 0.403 0.000 1.165 170 S CA -0.708 57.574 58.200 0.135 0.000 0.822 170 S CB 2.381 65.596 63.200 0.025 0.000 1.150 170 S HN 0.676 nan 8.310 nan 0.000 0.479 171 W N 1.306 122.643 121.300 0.062 0.000 3.544 171 W HA 0.444 5.104 4.660 0.000 0.000 0.326 171 W C -2.237 174.220 176.519 -0.103 0.000 1.137 171 W CA -0.441 56.899 57.345 -0.008 0.000 1.252 171 W CB 1.288 30.725 29.460 -0.039 0.000 1.302 171 W HN 0.698 nan 8.180 nan 0.000 0.467 172 D N 6.523 126.549 120.400 -0.624 0.000 2.365 172 D HA 0.227 4.867 4.640 0.000 0.000 0.237 172 D C 0.532 176.161 176.300 -1.118 0.000 1.190 172 D CA 0.168 53.779 54.000 -0.649 0.000 0.867 172 D CB 1.028 41.586 40.800 -0.403 0.000 1.050 172 D HN 0.342 nan 8.370 nan 0.000 0.491 173 I N 4.114 124.108 120.570 -0.960 0.000 2.662 173 I HA -0.012 4.159 4.170 0.000 0.000 0.285 173 I C -1.816 173.961 176.117 -0.566 0.000 1.161 173 I CA -1.263 59.464 61.300 -0.956 0.000 1.415 173 I CB 0.118 37.816 38.000 -0.505 0.000 1.385 173 I HN 0.001 nan 8.210 nan 0.000 0.552 174 P HA -0.001 nan 4.420 nan 0.000 0.270 174 P C 0.547 177.756 177.300 -0.152 0.000 1.227 174 P CA -0.204 62.757 63.100 -0.232 0.000 0.788 174 P CB 0.668 32.308 31.700 -0.100 0.000 0.926 175 E N 0.230 120.370 120.200 -0.101 0.000 2.047 175 E HA -0.078 4.272 4.350 0.000 0.000 0.191 175 E C 0.714 177.290 176.600 -0.040 0.000 0.987 175 E CA 1.230 57.585 56.400 -0.074 0.000 0.799 175 E CB -0.424 29.240 29.700 -0.061 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.449 176 L N -1.074 120.141 121.223 -0.013 0.000 2.295 176 L HA 0.673 5.014 4.340 0.000 0.000 0.285 176 L C -0.210 176.694 176.870 0.056 0.000 1.035 176 L CA -0.669 54.182 54.840 0.018 0.000 0.806 176 L CB 1.885 43.956 42.059 0.021 0.000 1.214 176 L HN -0.250 nan 8.230 nan 0.000 0.426 177 V N 1.861 121.830 119.914 0.092 0.000 3.234 177 V HA 0.361 4.482 4.120 0.000 0.000 0.280 177 V C -1.422 174.806 176.094 0.223 0.000 1.580 177 V CA -0.748 61.667 62.300 0.191 0.000 1.032 177 V CB 2.555 34.527 31.823 0.248 0.000 1.203 177 V HN 0.968 nan 8.190 nan 0.000 0.459 178 N N 3.708 122.586 118.700 0.296 0.000 2.447 178 N HA 0.232 4.972 4.740 0.000 0.000 0.263 178 N C -0.153 175.567 175.510 0.351 0.000 1.226 178 N CA 0.096 53.295 53.050 0.249 0.000 0.906 178 N CB 0.474 39.060 38.487 0.165 0.000 1.060 178 N HN 0.638 nan 8.380 nan 0.000 0.468 179 M N 1.219 120.952 119.600 0.222 0.000 2.167 179 M HA 0.358 4.839 4.480 0.000 0.000 0.300 179 M C 1.190 177.632 176.300 0.237 0.000 1.171 179 M CA 0.844 56.275 55.300 0.218 0.000 1.171 179 M CB 0.370 33.050 32.600 0.132 0.000 1.396 179 M HN 0.853 nan 8.290 nan 0.000 0.466 180 G N 0.137 109.074 108.800 0.228 0.000 2.343 180 G HA2 0.027 3.987 3.960 0.000 0.000 0.465 180 G HA3 0.027 3.987 3.960 0.000 0.000 0.465 180 G C -1.782 173.250 174.900 0.219 0.000 1.282 180 G CA -1.027 44.172 45.100 0.165 0.000 0.996 180 G HN 0.509 nan 8.290 nan 0.000 0.521 181 Q N 0.047 119.897 119.800 0.083 0.000 2.406 181 Q HA 0.362 4.703 4.340 0.000 0.000 0.242 181 Q C -0.527 175.449 176.000 -0.041 0.000 1.036 181 Q CA -0.103 55.728 55.803 0.045 0.000 0.904 181 Q CB 0.684 29.418 28.738 -0.007 0.000 1.244 181 Q HN 0.437 nan 8.270 nan 0.000 0.478 182 W N 2.078 123.120 121.300 -0.431 0.000 2.086 182 W HA 0.358 5.019 4.660 0.000 0.000 0.355 182 W C 0.756 176.895 176.519 -0.634 0.000 1.313 182 W CA -0.219 56.745 57.345 -0.634 0.000 1.358 182 W CB 0.606 29.439 29.460 -1.046 0.000 1.166 182 W HN 0.276 nan 8.180 nan 0.000 0.630 183 K N 1.338 121.587 120.400 -0.251 0.000 2.464 183 K HA 0.583 4.904 4.320 0.000 0.000 0.253 183 K C -1.624 174.956 176.600 -0.033 0.000 0.933 183 K CA -0.617 55.598 56.287 -0.120 0.000 0.801 183 K CB 1.404 33.837 32.500 -0.113 0.000 1.271 183 K HN 0.505 nan 8.250 nan 0.000 0.430 184 I N 4.368 124.966 120.570 0.047 0.000 2.382 184 I HA 0.396 4.566 4.170 0.000 0.000 0.286 184 I C -0.436 175.681 176.117 0.001 0.000 1.002 184 I CA -0.822 60.474 61.300 -0.005 0.000 1.135 184 I CB 1.656 39.633 38.000 -0.037 0.000 1.288 184 I HN 0.470 nan 8.210 nan 0.000 0.448 185 R N 5.208 125.693 120.500 -0.025 0.000 2.562 185 R HA 0.894 5.234 4.340 0.000 0.000 0.298 185 R C -1.000 175.285 176.300 -0.025 0.000 0.961 185 R CA -0.841 55.264 56.100 0.009 0.000 0.881 185 R CB 2.417 32.728 30.300 0.019 0.000 1.159 185 R HN 0.659 nan 8.270 nan 0.000 0.450 186 A N 2.330 125.158 122.820 0.012 0.000 2.520 186 A HA 0.645 4.965 4.320 0.000 0.000 0.298 186 A C -1.687 175.910 177.584 0.022 0.000 1.051 186 A CA -0.800 51.170 52.037 -0.110 0.000 0.690 186 A CB 1.139 20.066 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 5.303 4.550 0.000 0.000 0.345 187 Y C -0.947 174.932 175.900 -0.034 0.000 1.036 187 Y CA -1.986 56.132 58.100 0.030 0.000 1.042 187 Y CB 0.627 39.135 38.460 0.080 0.000 1.289 187 Y HN 0.579 nan 8.280 nan 0.000 0.471 188 Y N 1.499 121.986 120.300 0.311 0.000 2.359 188 Y HA 0.070 4.620 4.550 0.000 0.000 0.330 188 Y C 1.740 177.803 175.900 0.273 0.000 1.143 188 Y CA -0.001 58.212 58.100 0.187 0.000 1.318 188 Y CB 1.211 39.738 38.460 0.111 0.000 1.234 188 Y HN 0.892 nan 8.280 nan 0.000 0.522 189 E N 2.047 122.472 120.200 0.376 0.000 2.331 189 E HA -0.269 4.081 4.350 0.000 0.000 0.199 189 E C 1.011 177.735 176.600 0.206 0.000 1.008 189 E CA 1.068 57.645 56.400 0.295 0.000 0.843 189 E CB 0.171 29.980 29.700 0.183 0.000 0.761 189 E HN 0.725 nan 8.360 nan 0.000 0.507 190 N N 0.110 118.922 118.700 0.187 0.000 2.216 190 N HA -0.057 4.683 4.740 0.000 0.000 0.183 190 N C -0.185 175.382 175.510 0.096 0.000 1.017 190 N CA 1.151 54.265 53.050 0.108 0.000 0.861 190 N CB 0.363 38.886 38.487 0.061 0.000 0.986 190 N HN 0.011 nan 8.380 nan 0.000 0.428 191 S N -0.587 115.200 115.700 0.146 0.000 2.524 191 S HA 0.415 4.885 4.470 0.000 0.000 0.227 191 S C -2.408 172.202 174.600 0.017 0.000 1.304 191 S CA -1.219 57.030 58.200 0.082 0.000 1.185 191 S CB 2.397 65.671 63.200 0.123 0.000 1.104 191 S HN -0.082 nan 8.310 nan 0.000 0.475 192 P HA -0.199 nan 4.420 nan 0.000 0.217 192 P C 2.033 179.114 177.300 -0.364 0.000 1.150 192 P CA 1.050 63.786 63.100 -0.606 0.000 0.832 192 P CB 0.113 31.475 31.700 -0.563 0.000 0.787 193 Q N 0.281 119.975 119.800 -0.176 0.000 2.084 193 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 193 Q C 1.074 177.024 176.000 -0.083 0.000 0.978 193 Q CA 1.388 57.122 55.803 -0.115 0.000 0.844 193 Q CB -1.229 27.464 28.738 -0.076 0.000 0.898 193 Q HN 0.327 nan 8.270 nan 0.000 0.426 194 Q N 1.525 121.306 119.800 -0.032 0.000 2.452 194 Q HA 0.337 4.678 4.340 0.000 0.000 0.230 194 Q C -1.258 174.726 176.000 -0.027 0.000 1.180 194 Q CA -0.272 55.496 55.803 -0.058 0.000 0.914 194 Q CB 0.708 29.479 28.738 0.054 0.000 1.408 194 Q HN 0.114 nan 8.270 nan 0.000 0.520 195 V N 4.173 124.007 119.914 -0.134 0.000 2.716 195 V HA 0.473 4.593 4.120 0.000 0.000 0.304 195 V C -0.473 175.456 176.094 -0.276 0.000 1.053 195 V CA -0.292 62.013 62.300 0.008 0.000 0.984 195 V CB 1.195 33.041 31.823 0.039 0.000 1.021 195 V HN 0.523 nan 8.190 nan 0.000 0.467 196 F N 0.946 120.891 119.950 -0.008 0.000 2.551 196 F HA 0.684 5.212 4.527 0.000 0.000 0.316 196 F C 0.272 176.054 175.800 -0.030 0.000 1.089 196 F CA -0.392 57.577 58.000 -0.051 0.000 0.915 196 F CB 2.330 41.256 39.000 -0.123 0.000 1.186 196 F HN 0.319 nan 8.300 nan 0.000 0.456 197 S N 0.683 116.462 115.700 0.131 0.000 2.548 197 S HA 0.764 5.234 4.470 0.000 0.000 0.276 197 S C -0.875 173.788 174.600 0.104 0.000 1.129 197 S CA -0.678 57.572 58.200 0.085 0.000 0.931 197 S CB 2.249 65.467 63.200 0.030 0.000 1.068 197 S HN 0.558 nan 8.310 nan 0.000 0.480 198 T N 2.293 116.916 114.554 0.115 0.000 2.906 198 T HA 0.469 4.819 4.350 0.000 0.000 0.295 198 T C -0.872 173.923 174.700 0.159 0.000 1.061 198 T CA -0.725 61.462 62.100 0.144 0.000 1.000 198 T CB 1.592 70.568 68.868 0.180 0.000 1.103 198 T HN 0.556 nan 8.240 nan 0.000 0.486 199 E N 1.021 121.320 120.200 0.164 0.000 2.239 199 E HA 0.742 5.092 4.350 0.000 0.000 0.261 199 E C -1.199 175.603 176.600 0.336 0.000 1.016 199 E CA -0.831 55.656 56.400 0.146 0.000 0.882 199 E CB 1.590 31.331 29.700 0.067 0.000 1.190 199 E HN 0.571 nan 8.360 nan 0.000 0.415 200 F N -1.668 118.379 119.950 0.161 0.000 2.635 200 F HA 0.367 4.894 4.527 0.000 0.000 0.314 200 F C -0.775 175.159 175.800 0.222 0.000 1.119 200 F CA -1.129 56.992 58.000 0.202 0.000 1.000 200 F CB 0.939 40.115 39.000 0.293 0.000 1.278 200 F HN 0.263 nan 8.300 nan 0.000 0.446 201 E N 2.300 122.664 120.200 0.272 0.000 2.331 201 E HA 0.578 4.928 4.350 0.000 0.000 0.272 201 E C -1.523 175.236 176.600 0.265 0.000 1.036 201 E CA -0.730 55.786 56.400 0.193 0.000 0.864 201 E CB 1.690 31.466 29.700 0.127 0.000 1.035 201 E HN 0.648 nan 8.360 nan 0.000 0.408 202 V N 5.365 125.399 119.914 0.199 0.000 2.409 202 V HA 0.423 4.543 4.120 0.000 0.000 0.291 202 V C -0.087 176.112 176.094 0.176 0.000 1.020 202 V CA -0.468 61.933 62.300 0.169 0.000 0.848 202 V CB 1.395 33.193 31.823 -0.043 0.000 0.990 202 V HN 0.677 nan 8.190 nan 0.000 0.430 203 K N 3.046 123.570 120.400 0.206 0.000 2.499 203 K HA 0.597 4.917 4.320 0.000 0.000 0.277 203 K C -1.215 175.454 176.600 0.114 0.000 1.025 203 K CA -0.817 55.584 56.287 0.191 0.000 0.900 203 K CB 2.632 35.282 32.500 0.250 0.000 1.494 203 K HN 0.664 nan 8.250 nan 0.000 0.442 204 E N 1.451 121.693 120.200 0.069 0.000 2.133 204 E HA 0.302 4.653 4.350 0.000 0.000 0.274 204 E C -1.663 174.947 176.600 0.017 0.000 0.930 204 E CA -0.645 55.714 56.400 -0.068 0.000 0.770 204 E CB 1.188 30.861 29.700 -0.045 0.000 1.104 204 E HN 0.427 nan 8.360 nan 0.000 0.403 205 Y N -0.780 119.509 120.300 -0.018 0.000 2.592 205 Y HA 0.516 5.067 4.550 0.000 0.000 0.334 205 Y C -0.994 174.887 175.900 -0.032 0.000 1.136 205 Y CA -1.465 56.617 58.100 -0.029 0.000 1.042 205 Y CB 0.231 38.666 38.460 -0.042 0.000 1.325 205 Y HN 0.176 nan 8.280 nan 0.000 0.457 206 V N 0.626 120.645 119.914 0.174 0.000 2.713 206 V HA 0.629 4.750 4.120 0.000 0.000 0.307 206 V C -0.225 175.988 176.094 0.198 0.000 1.052 206 V CA -1.052 61.336 62.300 0.145 0.000 0.967 206 V CB 1.433 33.293 31.823 0.062 0.000 1.019 206 V HN 0.759 nan 8.190 nan 0.000 0.459 207 L N 4.432 125.745 121.223 0.149 0.000 2.439 207 L HA 0.482 4.822 4.340 0.000 0.000 0.269 207 L C -1.811 175.057 176.870 -0.005 0.000 1.179 207 L CA -1.004 53.864 54.840 0.047 0.000 0.828 207 L CB 0.012 42.088 42.059 0.028 0.000 1.106 207 L HN 0.672 nan 8.230 nan 0.000 0.467 208 P HA 0.229 nan 4.420 nan 0.000 0.281 208 P C -0.369 176.868 177.300 -0.105 0.000 1.249 208 P CA -0.498 62.503 63.100 -0.165 0.000 0.810 208 P CB 1.035 32.547 31.700 -0.313 0.000 1.008 209 S N 0.289 115.957 115.700 -0.053 0.000 2.557 209 S HA 0.318 4.788 4.470 0.000 0.000 0.223 209 S C 0.234 174.932 174.600 0.165 0.000 0.969 209 S CA -0.446 57.848 58.200 0.157 0.000 0.927 209 S CB -1.043 62.378 63.200 0.367 0.000 0.806 209 S HN 0.501 nan 8.310 nan 0.000 0.489 210 F N -0.063 119.773 119.950 -0.190 0.000 2.685 210 F HA 0.791 5.318 4.527 0.000 0.000 0.315 210 F C -0.946 174.740 175.800 -0.190 0.000 1.126 210 F CA -1.289 56.525 58.000 -0.310 0.000 0.950 210 F CB 0.793 39.378 39.000 -0.692 0.000 1.360 210 F HN 0.112 nan 8.300 nan 0.000 0.469 211 E N 1.007 121.221 120.200 0.023 0.000 2.207 211 E HA 0.723 5.073 4.350 0.000 0.000 0.270 211 E C -1.841 174.803 176.600 0.073 0.000 0.927 211 E CA -1.042 55.344 56.400 -0.024 0.000 0.799 211 E CB 2.516 32.212 29.700 -0.008 0.000 1.172 211 E HN 0.543 nan 8.360 nan 0.000 0.404 212 V N 3.625 123.551 119.914 0.020 0.000 2.604 212 V HA 0.461 4.581 4.120 0.000 0.000 0.305 212 V C -0.304 175.796 176.094 0.010 0.000 1.043 212 V CA -0.748 61.581 62.300 0.049 0.000 0.888 212 V CB 1.517 33.380 31.823 0.067 0.000 0.995 212 V HN 0.653 nan 8.190 nan 0.000 0.429 213 I N 4.439 125.013 120.570 0.007 0.000 2.512 213 I HA 0.504 4.675 4.170 0.000 0.000 0.287 213 I C -0.829 175.282 176.117 -0.010 0.000 1.069 213 I CA -0.787 60.511 61.300 -0.004 0.000 1.056 213 I CB 2.044 40.043 38.000 -0.002 0.000 1.229 213 I HN 0.237 nan 8.210 nan 0.000 0.429 214 V N 4.964 124.866 119.914 -0.019 0.000 2.532 214 V HA 0.500 4.620 4.120 0.000 0.000 0.295 214 V C -0.318 175.760 176.094 -0.026 0.000 1.041 214 V CA -0.440 61.841 62.300 -0.032 0.000 0.926 214 V CB 1.896 33.683 31.823 -0.060 0.000 0.992 214 V HN 0.751 nan 8.190 nan 0.000 0.457 215 E N 4.074 124.261 120.200 -0.022 0.000 2.313 215 E HA 0.392 4.742 4.350 0.000 0.000 0.280 215 E C -2.939 173.658 176.600 -0.004 0.000 0.898 215 E CA -1.608 54.786 56.400 -0.010 0.000 0.803 215 E CB 2.951 32.650 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 0.701 177.993 177.300 -0.012 0.000 1.220 216 P CA -0.164 62.936 63.100 0.001 0.000 0.768 216 P CB 0.830 32.531 31.700 0.003 0.000 0.848 217 T N -0.315 114.228 114.554 -0.018 0.000 2.822 217 T HA -0.117 4.234 4.350 0.000 0.000 0.270 217 T C 0.584 175.246 174.700 -0.064 0.000 1.064 217 T CA 1.252 63.334 62.100 -0.030 0.000 1.131 217 T CB -0.367 68.484 68.868 -0.029 0.000 0.858 217 T HN 0.389 nan 8.240 nan 0.000 0.483 218 E N 0.535 120.656 120.200 -0.131 0.000 2.244 218 E HA 0.399 4.749 4.350 0.000 0.000 0.266 218 E C -0.285 176.230 176.600 -0.141 0.000 0.914 218 E CA -0.684 55.563 56.400 -0.255 0.000 0.794 218 E CB 1.881 31.138 29.700 -0.738 0.000 1.210 218 E HN 0.153 nan 8.360 nan 0.000 0.414 219 K N 1.106 121.546 120.400 0.067 0.000 2.589 219 K HA 0.131 4.451 4.320 0.000 0.000 0.204 219 K C -0.430 176.369 176.600 0.331 0.000 1.029 219 K CA 0.261 56.668 56.287 0.200 0.000 1.177 219 K CB -0.366 32.265 32.500 0.217 0.000 0.902 219 K HN 0.314 nan 8.250 nan 0.000 0.501 220 F N -3.967 116.020 119.950 0.062 0.000 2.900 220 F HA 0.322 4.849 4.527 0.000 0.000 0.321 220 F C -1.792 174.115 175.800 0.177 0.000 1.160 220 F CA -1.836 56.222 58.000 0.096 0.000 0.890 220 F CB 0.710 39.734 39.000 0.041 0.000 1.334 220 F HN -0.219 nan 8.300 nan 0.000 0.459 221 Y N 1.835 122.218 120.300 0.138 0.000 2.361 221 Y HA 0.568 5.118 4.550 0.000 0.000 0.337 221 Y C -1.685 174.384 175.900 0.283 0.000 0.965 221 Y CA -1.777 56.355 58.100 0.054 0.000 1.091 221 Y CB 1.277 39.770 38.460 0.055 0.000 1.182 221 Y HN 0.738 nan 8.280 nan 0.000 0.450 222 Y N 7.570 127.520 120.300 -0.584 0.000 2.365 222 Y HA 0.291 4.841 4.550 0.000 0.000 0.340 222 Y C 0.928 176.400 175.900 -0.714 0.000 1.016 222 Y CA -0.835 57.053 58.100 -0.353 0.000 1.196 222 Y CB 0.665 39.056 38.460 -0.114 0.000 1.167 222 Y HN 0.781 nan 8.280 nan 0.000 0.509 223 I N 5.153 125.341 120.570 -0.637 0.000 2.423 223 I HA -0.341 3.829 4.170 0.000 0.000 0.254 223 I C 0.525 176.286 176.117 -0.594 0.000 1.151 223 I CA 1.552 62.553 61.300 -0.497 0.000 1.421 223 I CB -0.356 37.425 38.000 -0.365 0.000 1.079 223 I HN 0.693 nan 8.210 nan 0.000 0.431 224 Y N -0.111 119.654 120.300 -0.892 0.000 2.532 224 Y HA 0.183 4.733 4.550 0.000 0.000 0.283 224 Y C 0.967 176.757 175.900 -0.183 0.000 1.181 224 Y CA -0.524 57.295 58.100 -0.469 0.000 1.256 224 Y CB -0.243 37.953 38.460 -0.440 0.000 1.112 224 Y HN 0.072 nan 8.280 nan 0.000 0.521 225 N N 1.964 120.610 118.700 -0.089 0.000 2.663 225 N HA -0.044 4.696 4.740 0.000 0.000 0.250 225 N C 1.011 176.587 175.510 0.110 0.000 1.129 225 N CA 0.305 53.394 53.050 0.065 0.000 0.995 225 N CB 0.513 38.968 38.487 -0.053 0.000 1.324 225 N HN 0.254 nan 8.380 nan 0.000 0.512 226 E N 2.574 122.831 120.200 0.095 0.000 2.233 226 E HA -0.199 4.151 4.350 0.000 0.000 0.199 226 E C 0.929 177.575 176.600 0.075 0.000 1.004 226 E CA 1.577 58.021 56.400 0.073 0.000 0.819 226 E CB 0.233 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 -0.955 119.500 120.400 0.091 0.000 2.365 227 K HA 0.114 4.434 4.320 0.000 0.000 0.199 227 K C 0.873 177.517 176.600 0.074 0.000 1.045 227 K CA 0.475 56.803 56.287 0.068 0.000 0.962 227 K CB 0.030 32.566 32.500 0.061 0.000 0.759 227 K HN 0.286 nan 8.250 nan 0.000 0.469 228 G N 0.858 109.762 108.800 0.172 0.000 2.693 228 G HA2 -0.269 3.691 3.960 0.000 0.000 0.226 228 G HA3 -0.269 3.691 3.960 0.000 0.000 0.226 228 G C -1.278 173.682 174.900 0.100 0.000 1.354 228 G CA -0.477 44.676 45.100 0.087 0.000 0.873 228 G HN 0.143 nan 8.290 nan 0.000 0.562 229 L N 1.165 122.283 121.223 -0.175 0.000 2.260 229 L HA 0.630 4.970 4.340 0.000 0.000 0.289 229 L C 0.518 177.409 176.870 0.034 0.000 1.057 229 L CA -0.241 54.581 54.840 -0.030 0.000 0.811 229 L CB 0.580 42.595 42.059 -0.073 0.000 1.184 229 L HN 0.590 nan 8.230 nan 0.000 0.429 230 E N 4.039 124.274 120.200 0.058 0.000 2.216 230 E HA 0.578 4.929 4.350 0.000 0.000 0.279 230 E C -1.233 175.407 176.600 0.067 0.000 0.997 230 E CA -0.701 55.730 56.400 0.052 0.000 0.817 230 E CB 2.320 32.036 29.700 0.026 0.000 1.096 230 E HN 0.420 nan 8.360 nan 0.000 0.393 231 V N 2.338 122.301 119.914 0.082 0.000 2.808 231 V HA 0.277 4.397 4.120 0.000 0.000 0.308 231 V C -0.664 175.453 176.094 0.039 0.000 1.099 231 V CA -0.728 61.611 62.300 0.064 0.000 0.920 231 V CB 2.534 34.412 31.823 0.093 0.000 1.014 231 V HN 0.709 nan 8.190 nan 0.000 0.425 232 T N 5.777 120.340 114.554 0.015 0.000 2.770 232 T HA 0.589 4.939 4.350 0.000 0.000 0.283 232 T C -0.401 174.298 174.700 -0.002 0.000 0.988 232 T CA -0.368 61.736 62.100 0.007 0.000 0.957 232 T CB 0.942 69.812 68.868 0.003 0.000 0.930 232 T HN 0.270 nan 8.240 nan 0.000 0.443 233 I N 3.491 124.058 120.570 -0.005 0.000 2.385 233 I HA 0.433 4.603 4.170 0.000 0.000 0.294 233 I C 0.454 176.561 176.117 -0.017 0.000 0.988 233 I CA -0.434 60.859 61.300 -0.012 0.000 1.265 233 I CB 1.217 39.209 38.000 -0.013 0.000 1.388 233 I HN 0.621 nan 8.210 nan 0.000 0.480 234 T N 5.026 119.572 114.554 -0.014 0.000 2.928 234 T HA 0.733 5.083 4.350 0.000 0.000 0.296 234 T C -0.495 174.194 174.700 -0.018 0.000 1.000 234 T CA -0.609 61.480 62.100 -0.019 0.000 0.989 234 T CB 1.992 70.854 68.868 -0.011 0.000 1.005 234 T HN 0.716 nan 8.240 nan 0.000 0.442 235 A N 3.620 126.409 122.820 -0.052 0.000 2.371 235 A HA 0.960 5.280 4.320 0.000 0.000 0.311 235 A C -0.451 177.057 177.584 -0.126 0.000 1.068 235 A CA -1.113 50.877 52.037 -0.078 0.000 0.744 235 A CB 1.276 20.157 19.000 -0.200 0.000 1.239 235 A HN 0.949 nan 8.150 nan 0.000 0.435 236 R N 1.459 121.896 120.500 -0.104 0.000 2.536 236 R HA 0.563 4.903 4.340 0.000 0.000 0.269 236 R C -1.605 174.637 176.300 -0.098 0.000 1.113 236 R CA -0.683 55.363 56.100 -0.089 0.000 0.948 236 R CB 0.433 30.729 30.300 -0.006 0.000 1.237 236 R HN 0.377 nan 8.270 nan 0.000 0.441 237 F N 2.113 121.954 119.950 -0.181 0.000 2.640 237 F HA -0.030 4.497 4.527 0.000 0.000 0.329 237 F C 1.952 177.596 175.800 -0.260 0.000 1.224 237 F CA 0.034 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 0.178 121.383 121.223 -0.030 0.000 1.988 238 L HA -0.141 4.199 4.340 0.000 0.000 0.207 238 L C 0.497 177.414 176.870 0.079 0.000 1.071 238 L CA 0.485 55.353 54.840 0.047 0.000 0.744 238 L CB -0.874 41.249 42.059 0.107 0.000 0.893 238 L HN 0.551 nan 8.230 nan 0.000 0.433 239 Y N 1.169 121.565 120.300 0.161 0.000 2.805 239 Y HA 0.287 4.837 4.550 0.000 0.000 0.331 239 Y C 0.898 176.875 175.900 0.128 0.000 1.241 239 Y CA -1.151 57.013 58.100 0.107 0.000 1.546 239 Y CB -0.806 37.692 38.460 0.064 0.000 1.248 239 Y HN 0.016 nan 8.280 nan 0.000 0.559 240 G N 4.654 113.551 108.800 0.160 0.000 2.307 240 G HA2 0.387 4.347 3.960 0.000 0.000 0.271 240 G HA3 0.387 4.347 3.960 0.000 0.000 0.271 240 G C -0.384 174.582 174.900 0.111 0.000 1.191 240 G CA -0.459 44.697 45.100 0.093 0.000 1.024 240 G HN 0.527 nan 8.290 nan 0.000 0.441 241 K N 1.597 122.044 120.400 0.078 0.000 2.572 241 K HA 0.236 4.556 4.320 0.000 0.000 0.263 241 K C -0.281 176.421 176.600 0.169 0.000 0.932 241 K CA -0.763 55.589 56.287 0.108 0.000 0.838 241 K CB 1.837 34.398 32.500 0.103 0.000 1.366 241 K HN 0.513 nan 8.250 nan 0.000 0.425 242 K N 0.992 121.466 120.400 0.123 0.000 2.295 242 K HA 0.341 4.661 4.320 0.000 0.000 0.270 242 K C -0.127 176.571 176.600 0.163 0.000 1.011 242 K CA -0.507 55.840 56.287 0.100 0.000 0.953 242 K CB 0.895 33.424 32.500 0.048 0.000 0.956 242 K HN 0.167 nan 8.250 nan 0.000 0.477 243 V N 3.307 123.234 119.914 0.022 0.000 2.532 243 V HA 0.152 4.273 4.120 0.000 0.000 0.295 243 V C -0.096 175.940 176.094 -0.097 0.000 1.041 243 V CA -0.559 61.695 62.300 -0.076 0.000 0.926 243 V CB 1.561 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 2.643 122.807 120.200 -0.061 0.000 2.195 244 E HA 0.772 5.122 4.350 0.000 0.000 0.271 244 E C 0.068 176.424 176.600 -0.407 0.000 0.923 244 E CA -0.279 56.070 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 0.801 109.186 108.800 -0.692 0.000 2.315 245 G HA2 0.318 4.278 3.960 0.000 0.000 0.294 245 G HA3 0.318 4.278 3.960 0.000 0.000 0.294 245 G C -1.011 173.577 174.900 -0.520 0.000 1.300 245 G CA -0.458 44.014 45.100 -1.046 0.000 0.843 245 G HN 0.481 nan 8.290 nan 0.000 0.527 246 T N -2.255 112.112 114.554 -0.312 0.000 2.912 246 T HA 0.906 5.256 4.350 0.000 0.000 0.288 246 T C -0.197 174.367 174.700 -0.226 0.000 1.030 246 T CA 0.022 61.998 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 2.162 nan 8.240 nan 0.000 0.480 247 A N 1.720 124.369 122.820 -0.285 0.000 2.398 247 A HA 0.720 5.041 4.320 0.000 0.000 0.301 247 A C -1.109 176.316 177.584 -0.265 0.000 1.041 247 A CA -0.975 50.959 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 0.520 5.047 4.527 0.000 0.000 0.355 248 F C 0.281 176.095 175.800 0.023 0.000 1.121 248 F CA -0.481 57.532 58.000 0.022 0.000 1.112 248 F CB 1.647 40.659 39.000 0.021 0.000 1.126 248 F HN 0.269 nan 8.300 nan 0.000 0.481 249 V N 5.325 125.342 119.914 0.172 0.000 2.628 249 V HA 0.614 4.734 4.120 0.000 0.000 0.306 249 V C -0.389 175.817 176.094 0.187 0.000 1.045 249 V CA -0.958 61.423 62.300 0.135 0.000 0.905 249 V CB 2.219 34.121 31.823 0.131 0.000 0.997 249 V HN 0.740 nan 8.190 nan 0.000 0.436 250 I N 2.562 123.210 120.570 0.129 0.000 2.842 250 I HA 0.602 4.772 4.170 0.000 0.000 0.297 250 I C -1.710 174.448 176.117 0.070 0.000 1.380 250 I CA -0.353 61.070 61.300 0.206 0.000 1.018 250 I CB 2.104 40.166 38.000 0.104 0.000 1.311 250 I HN 0.535 nan 8.210 nan 0.000 0.439 251 F N 3.927 123.755 119.950 -0.203 0.000 2.585 251 F HA 0.943 5.470 4.527 0.000 0.000 0.350 251 F C 0.817 176.266 175.800 -0.585 0.000 1.074 251 F CA -0.558 57.221 58.000 -0.368 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 -0.016 108.342 108.800 -0.737 0.000 2.559 252 G HA2 0.593 4.553 3.960 0.000 0.000 0.291 252 G HA3 0.593 4.553 3.960 0.000 0.000 0.291 252 G C -2.086 172.662 174.900 -0.253 0.000 1.424 252 G CA -0.828 43.851 45.100 -0.702 0.000 0.786 252 G HN 0.504 nan 8.290 nan 0.000 0.485 253 I N 0.236 120.897 120.570 0.152 0.000 2.474 253 I HA 0.465 4.635 4.170 0.000 0.000 0.294 253 I C -0.184 176.119 176.117 0.310 0.000 1.005 253 I CA -0.707 60.729 61.300 0.227 0.000 1.113 253 I CB 2.187 40.254 38.000 0.111 0.000 1.289 253 I HN 0.438 nan 8.210 nan 0.000 0.436 254 Q N 4.078 124.020 119.800 0.236 0.000 2.282 254 Q HA 0.316 4.656 4.340 0.000 0.000 0.260 254 Q C -1.541 174.503 176.000 0.073 0.000 0.964 254 Q CA -0.597 55.271 55.803 0.107 0.000 0.880 254 Q CB 2.040 30.785 28.738 0.011 0.000 1.286 254 Q HN 0.501 nan 8.270 nan 0.000 0.445 255 D N 2.476 122.903 120.400 0.046 0.000 2.469 255 D HA 0.399 5.039 4.640 0.000 0.000 0.251 255 D C 0.475 176.786 176.300 0.020 0.000 1.173 255 D CA 0.925 54.947 54.000 0.036 0.000 0.882 255 D CB 1.057 41.880 40.800 0.037 0.000 1.129 255 D HN 0.793 nan 8.370 nan 0.000 0.549 256 G N 4.930 113.740 108.800 0.018 0.000 2.846 256 G HA2 -0.368 3.593 3.960 0.000 0.000 0.317 256 G HA3 -0.368 3.593 3.960 0.000 0.000 0.317 256 G C 0.610 175.507 174.900 -0.005 0.000 1.210 256 G CA 0.884 45.989 45.100 0.009 0.000 0.972 256 G HN 0.514 nan 8.290 nan 0.000 0.567 257 E N 0.991 121.184 120.200 -0.012 0.000 2.539 257 E HA 0.301 4.651 4.350 0.000 0.000 0.215 257 E C 1.037 177.616 176.600 -0.034 0.000 0.965 257 E CA 0.517 56.901 56.400 -0.028 0.000 1.019 257 E CB 0.361 30.047 29.700 -0.023 0.000 1.059 257 E HN 0.719 nan 8.360 nan 0.000 0.496 258 Q N 1.662 121.452 119.800 -0.016 0.000 2.288 258 Q HA 0.286 4.626 4.340 0.000 0.000 0.254 258 Q C -0.552 175.447 176.000 -0.001 0.000 0.932 258 Q CA -0.217 55.582 55.803 -0.006 0.000 0.902 258 Q CB 0.722 29.465 28.738 0.008 0.000 1.203 258 Q HN -0.042 nan 8.270 nan 0.000 0.415 259 R N 4.412 124.916 120.500 0.006 0.000 2.483 259 R HA 0.409 4.749 4.340 0.000 0.000 0.303 259 R C -1.114 175.254 176.300 0.113 0.000 0.987 259 R CA -0.665 55.457 56.100 0.036 0.000 0.881 259 R CB 1.138 31.394 30.300 -0.074 0.000 1.177 259 R HN 0.609 nan 8.270 nan 0.000 0.451 260 I N 2.019 122.691 120.570 0.170 0.000 2.362 260 I HA 0.210 4.380 4.170 0.000 0.000 0.289 260 I C 0.651 176.865 176.117 0.163 0.000 0.994 260 I CA -0.420 60.961 61.300 0.136 0.000 1.158 260 I CB 1.340 39.389 38.000 0.082 0.000 1.315 260 I HN 0.432 nan 8.210 nan 0.000 0.451 261 S N 6.643 122.418 115.700 0.126 0.000 2.584 261 S HA 0.570 5.041 4.470 0.000 0.000 0.273 261 S C -0.180 174.427 174.600 0.012 0.000 1.311 261 S CA -0.515 57.722 58.200 0.062 0.000 1.034 261 S CB 0.503 63.747 63.200 0.074 0.000 0.939 261 S HN 0.442 nan 8.310 nan 0.000 0.513 262 L N 6.605 127.812 121.223 -0.028 0.000 2.314 262 L HA 0.367 4.707 4.340 0.000 0.000 0.275 262 L C -1.381 175.477 176.870 -0.019 0.000 1.068 262 L CA -1.626 53.196 54.840 -0.030 0.000 0.894 262 L CB 0.958 42.981 42.059 -0.060 0.000 1.275 262 L HN 0.566 nan 8.230 nan 0.000 0.432 263 P HA -0.195 nan 4.420 nan 0.000 0.221 263 P C 0.972 178.270 177.300 -0.003 0.000 1.145 263 P CA 1.235 64.337 63.100 0.002 0.000 0.795 263 P CB 0.527 32.229 31.700 0.003 0.000 0.775 264 E N 0.081 120.268 120.200 -0.021 0.000 2.442 264 E HA -0.029 4.321 4.350 0.000 0.000 0.195 264 E C 1.731 178.302 176.600 -0.049 0.000 1.030 264 E CA 0.437 56.818 56.400 -0.031 0.000 0.869 264 E CB 0.056 29.732 29.700 -0.041 0.000 0.857 264 E HN 0.277 nan 8.360 nan 0.000 0.505 265 S N 0.196 115.859 115.700 -0.062 0.000 2.607 265 S HA -0.018 4.452 4.470 0.000 0.000 0.224 265 S C 0.747 175.330 174.600 -0.030 0.000 0.969 265 S CA -0.354 57.775 58.200 -0.118 0.000 0.927 265 S CB -0.122 62.969 63.200 -0.182 0.000 0.772 265 S HN 0.103 nan 8.310 nan 0.000 0.533 266 L N 3.106 124.344 121.223 0.025 0.000 2.513 266 L HA 0.304 4.644 4.340 0.000 0.000 0.272 266 L C -0.350 176.559 176.870 0.064 0.000 1.187 266 L CA 0.781 55.666 54.840 0.076 0.000 0.895 266 L CB 0.016 42.119 42.059 0.073 0.000 1.147 266 L HN 0.085 nan 8.230 nan 0.000 0.483 267 K N 5.580 126.035 120.400 0.092 0.000 2.464 267 K HA 0.395 4.716 4.320 0.000 0.000 0.253 267 K C -1.061 175.562 176.600 0.039 0.000 0.933 267 K CA -0.721 55.596 56.287 0.050 0.000 0.801 267 K CB 2.357 34.874 32.500 0.028 0.000 1.271 267 K HN 0.592 nan 8.250 nan 0.000 0.430 268 R N 3.314 123.801 120.500 -0.022 0.000 2.288 268 R HA 0.352 4.692 4.340 0.000 0.000 0.326 268 R C -0.463 175.744 176.300 -0.155 0.000 0.959 268 R CA -0.531 55.470 56.100 -0.166 0.000 0.834 268 R CB 0.133 30.301 30.300 -0.221 0.000 1.157 268 R HN 0.632 nan 8.270 nan 0.000 0.470 269 I N 1.600 122.071 120.570 -0.164 0.000 2.648 269 I HA 0.679 4.849 4.170 0.000 0.000 0.304 269 I C -2.704 173.337 176.117 -0.128 0.000 1.009 269 I CA -3.159 58.075 61.300 -0.109 0.000 1.114 269 I CB 1.702 39.666 38.000 -0.060 0.000 1.293 269 I HN 0.408 nan 8.210 nan 0.000 0.449 270 P HA 0.339 nan 4.420 nan 0.000 0.286 270 P C -0.867 176.402 177.300 -0.052 0.000 1.269 270 P CA -0.142 62.929 63.100 -0.050 0.000 0.787 270 P CB 0.675 32.370 31.700 -0.008 0.000 0.920 271 I N 3.754 124.279 120.570 -0.074 0.000 2.287 271 I HA 0.207 4.377 4.170 0.000 0.000 0.290 271 I C 0.569 176.654 176.117 -0.053 0.000 1.069 271 I CA -0.151 61.100 61.300 -0.081 0.000 1.237 271 I CB -0.466 37.455 38.000 -0.131 0.000 1.418 271 I HN 0.324 nan 8.210 nan 0.000 0.481 272 E N 4.237 124.423 120.200 -0.024 0.000 2.171 272 E HA 0.193 4.544 4.350 0.000 0.000 0.271 272 E C -0.359 176.238 176.600 -0.004 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 2.669 123.072 120.400 0.006 0.000 2.812 273 D HA -0.205 4.435 4.640 0.000 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 -0.378 108.407 108.800 -0.025 0.000 2.186 274 G HA2 -0.266 3.694 3.960 0.000 0.000 0.266 274 G HA3 -0.266 3.694 3.960 0.000 0.000 0.266 274 G C 0.333 175.205 174.900 -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 -1.544 114.133 115.700 -0.037 0.000 2.579 275 S HA 0.869 5.339 4.470 0.000 0.000 0.272 275 S C -0.229 174.354 174.600 -0.029 0.000 1.141 275 S CA 0.706 58.889 58.200 -0.029 0.000 0.843 275 S CB 1.865 65.056 63.200 -0.015 0.000 1.122 275 S HN 1.842 nan 8.310 nan 0.000 0.468 276 G N 1.299 110.086 108.800 -0.023 0.000 2.720 276 G HA2 0.555 4.515 3.960 0.000 0.000 0.295 276 G HA3 0.555 4.515 3.960 0.000 0.000 0.295 276 G C -2.095 172.800 174.900 -0.009 0.000 1.437 276 G CA -0.482 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 -0.633 119.563 120.200 -0.005 0.000 2.207 277 E HA 0.798 5.149 4.350 0.000 0.000 0.270 277 E C -0.891 175.717 176.600 0.013 0.000 0.927 277 E CA -0.544 55.859 56.400 0.005 0.000 0.799 277 E CB 2.243 31.943 29.700 0.000 0.000 1.172 277 E HN 0.670 nan 8.360 nan 0.000 0.404 278 V N 3.060 122.995 119.914 0.035 0.000 3.236 278 V HA 0.560 4.680 4.120 0.000 0.000 0.287 278 V C -1.722 174.419 176.094 0.078 0.000 1.491 278 V CA -0.592 61.739 62.300 0.051 0.000 1.037 278 V CB 2.319 34.191 31.823 0.082 0.000 1.160 278 V HN 0.472 nan 8.190 nan 0.000 0.453 279 V N 4.117 124.040 119.914 0.014 0.000 2.808 279 V HA 0.534 4.654 4.120 0.000 0.000 0.308 279 V C -0.840 175.025 176.094 -0.381 0.000 1.099 279 V CA -0.663 61.589 62.300 -0.081 0.000 0.920 279 V CB 1.798 33.576 31.823 -0.074 0.000 1.014 279 V HN 0.842 nan 8.190 nan 0.000 0.425 280 L N 4.344 125.161 121.223 -0.677 0.000 2.276 280 L HA 0.723 5.064 4.340 0.000 0.000 0.286 280 L C 0.478 177.084 176.870 -0.439 0.000 1.061 280 L CA 0.595 54.906 54.840 -0.882 0.000 0.807 280 L CB 1.556 42.829 42.059 -1.310 0.000 1.177 280 L HN 0.861 nan 8.230 nan 0.000 0.429 281 S N 4.384 119.884 115.700 -0.333 0.000 2.541 281 S HA 0.379 4.849 4.470 0.000 0.000 0.283 281 S C 1.083 175.573 174.600 -0.183 0.000 1.196 281 S CA -0.484 57.597 58.200 -0.199 0.000 1.062 281 S CB 1.230 64.343 63.200 -0.145 0.000 1.009 281 S HN 0.876 nan 8.310 nan 0.000 0.502 282 R N 1.351 121.788 120.500 -0.105 0.000 2.170 282 R HA -0.172 4.168 4.340 0.000 0.000 0.242 282 R C 1.973 178.222 176.300 -0.085 0.000 1.145 282 R CA 1.895 57.955 56.100 -0.068 0.000 0.984 282 R CB -0.287 30.033 30.300 0.033 0.000 0.869 282 R HN 0.780 nan 8.270 nan 0.000 0.455 283 K N -0.108 120.241 120.400 -0.084 0.000 2.007 283 K HA -0.072 4.248 4.320 0.000 0.000 0.206 283 K C 1.761 178.308 176.600 -0.089 0.000 1.047 283 K CA 1.837 58.080 56.287 -0.075 0.000 0.937 283 K CB -0.155 32.306 32.500 -0.064 0.000 0.718 283 K HN 0.074 nan 8.250 nan 0.000 0.438 284 V N 1.434 121.278 119.914 -0.117 0.000 2.287 284 V HA -0.229 3.891 4.120 0.000 0.000 0.248 284 V C 2.384 178.403 176.094 -0.124 0.000 1.053 284 V CA 1.904 64.129 62.300 -0.124 0.000 1.027 284 V CB -0.841 30.880 31.823 -0.170 0.000 0.646 284 V HN 0.377 nan 8.190 nan 0.000 0.447 285 L N -0.840 120.289 121.223 -0.156 0.000 2.127 285 L HA -0.149 4.191 4.340 0.000 0.000 0.211 285 L C 2.140 178.958 176.870 -0.087 0.000 1.089 285 L CA 1.855 56.611 54.840 -0.141 0.000 0.757 285 L CB -0.211 41.732 42.059 -0.193 0.000 0.899 285 L HN 0.211 nan 8.230 nan 0.000 0.434 286 L N -1.395 119.782 121.223 -0.077 0.000 2.130 286 L HA -0.053 4.288 4.340 0.000 0.000 0.200 286 L C 2.174 179.015 176.870 -0.047 0.000 1.075 286 L CA 0.797 55.603 54.840 -0.055 0.000 0.768 286 L CB -0.744 41.282 42.059 -0.055 0.000 0.933 286 L HN 0.101 nan 8.230 nan 0.000 0.451 287 D N 0.567 120.937 120.400 -0.050 0.000 2.160 287 D HA -0.233 4.408 4.640 0.000 0.000 0.189 287 D C 2.106 178.384 176.300 -0.037 0.000 1.003 287 D CA 1.786 55.762 54.000 -0.041 0.000 0.846 287 D CB -0.723 40.050 40.800 -0.045 0.000 0.949 287 D HN 0.368 nan 8.370 nan 0.000 0.446 288 G N 0.234 109.006 108.800 -0.047 0.000 2.550 288 G HA2 -0.230 3.730 3.960 0.000 0.000 0.222 288 G HA3 -0.230 3.730 3.960 0.000 0.000 0.222 288 G C 1.503 176.389 174.900 -0.024 0.000 1.113 288 G CA 2.047 47.123 45.100 -0.040 0.000 0.748 288 G HN 0.352 nan 8.290 nan 0.000 0.585 289 V N -2.094 117.806 119.914 -0.024 0.000 3.114 289 V HA 0.290 4.411 4.120 0.000 0.000 0.202 289 V C 0.996 177.081 176.094 -0.015 0.000 1.211 289 V CA 0.892 63.185 62.300 -0.012 0.000 1.339 289 V CB -0.370 31.447 31.823 -0.010 0.000 1.128 289 V HN 0.366 nan 8.190 nan 0.000 0.502 290 Q N 0.074 119.863 119.800 -0.018 0.000 2.407 290 Q HA 0.193 4.533 4.340 0.000 0.000 0.231 290 Q C -0.682 175.305 176.000 -0.021 0.000 0.668 290 Q CA -0.033 55.759 55.803 -0.018 0.000 1.042 290 Q CB -1.004 27.727 28.738 -0.012 0.000 1.413 290 Q HN 0.864 nan 8.270 nan 0.000 0.350 291 N N 2.393 121.077 118.700 -0.028 0.000 2.667 291 N HA -0.129 4.611 4.740 0.000 0.000 0.263 291 N C -2.395 173.097 175.510 -0.029 0.000 1.038 291 N CA 0.321 53.352 53.050 -0.033 0.000 0.749 291 N CB -0.530 37.938 38.487 -0.032 0.000 0.892 291 N HN 0.393 nan 8.380 nan 0.000 0.546 292 P HA 0.210 nan 4.420 nan 0.000 0.283 292 P C -0.373 176.906 177.300 -0.035 0.000 1.271 292 P CA -0.541 62.544 63.100 -0.024 0.000 0.841 292 P CB 0.814 32.505 31.700 -0.016 0.000 1.122 293 R N 0.950 121.432 120.500 -0.030 0.000 2.763 293 R HA 0.012 4.352 4.340 0.000 0.000 0.348 293 R C 1.557 177.822 176.300 -0.058 0.000 0.826 293 R CA 0.277 56.353 56.100 -0.039 0.000 1.109 293 R CB -0.574 29.715 30.300 -0.020 0.000 0.889 293 R HN 0.526 nan 8.270 nan 0.000 0.402 294 A N 4.276 127.034 122.820 -0.104 0.000 1.971 294 A HA -0.323 3.997 4.320 0.000 0.000 0.222 294 A C 1.742 179.263 177.584 -0.105 0.000 1.182 294 A CA 2.010 53.965 52.037 -0.135 0.000 0.649 294 A CB -0.248 18.595 19.000 -0.262 0.000 0.818 294 A HN 0.787 nan 8.150 nan 0.000 0.458 295 E N 0.334 120.480 120.200 -0.091 0.000 2.197 295 E HA -0.251 4.099 4.350 0.000 0.000 0.205 295 E C 1.511 178.110 176.600 -0.002 0.000 1.029 295 E CA 1.641 58.029 56.400 -0.020 0.000 0.828 295 E CB -0.468 29.243 29.700 0.019 0.000 0.737 295 E HN 0.676 nan 8.360 nan 0.000 0.464 296 D N 0.000 120.395 120.400 -0.008 0.000 2.116 296 D HA -0.173 4.467 4.640 0.000 0.000 0.193 296 D C 1.703 178.011 176.300 0.013 0.000 0.998 296 D CA 0.851 54.853 54.000 0.004 0.000 0.836 296 D CB -0.290 40.509 40.800 -0.001 0.000 0.951 296 D HN 0.180 nan 8.370 nan 0.000 0.449 297 L N 0.358 121.587 121.223 0.009 0.000 2.549 297 L HA -0.060 4.281 4.340 0.000 0.000 0.230 297 L C 0.489 177.389 176.870 0.050 0.000 1.162 297 L CA -0.087 54.770 54.840 0.029 0.000 0.834 297 L CB 0.027 42.103 42.059 0.029 0.000 0.947 297 L HN -0.110 nan 8.230 nan 0.000 0.452 298 V N 0.447 120.387 119.914 0.043 0.000 2.529 298 V HA 0.204 4.324 4.120 0.000 0.000 0.292 298 V C 1.212 177.341 176.094 0.057 0.000 1.028 298 V CA 1.319 63.654 62.300 0.058 0.000 1.074 298 V CB 0.680 32.535 31.823 0.053 0.000 0.958 298 V HN 0.633 nan 8.190 nan 0.000 0.481 299 G N 4.939 113.780 108.800 0.068 0.000 2.307 299 G HA2 -0.190 3.770 3.960 0.000 0.000 0.210 299 G HA3 -0.190 3.770 3.960 0.000 0.000 0.210 299 G C 0.385 175.325 174.900 0.067 0.000 1.005 299 G CA 0.096 45.232 45.100 0.060 0.000 0.634 299 G HN 0.603 nan 8.290 nan 0.000 0.496 300 K N 0.949 121.393 120.400 0.073 0.000 2.273 300 K HA 0.623 4.943 4.320 0.000 0.000 0.240 300 K C 0.658 177.319 176.600 0.102 0.000 1.056 300 K CA 0.366 56.701 56.287 0.079 0.000 0.910 300 K CB 0.635 33.180 32.500 0.075 0.000 1.196 300 K HN 0.557 nan 8.250 nan 0.000 0.509 301 S N -0.572 115.195 115.700 0.113 0.000 2.632 301 S HA 0.599 5.069 4.470 0.000 0.000 0.289 301 S C -0.699 174.004 174.600 0.171 0.000 1.115 301 S CA -1.108 57.174 58.200 0.136 0.000 0.889 301 S CB 0.913 64.181 63.200 0.114 0.000 1.116 301 S HN 0.359 nan 8.310 nan 0.000 0.486 302 L N 1.039 122.368 121.223 0.176 0.000 2.304 302 L HA 0.739 5.080 4.340 0.000 0.000 0.268 302 L C -1.075 175.946 176.870 0.250 0.000 1.010 302 L CA -1.184 53.764 54.840 0.179 0.000 0.813 302 L CB 1.607 43.725 42.059 0.098 0.000 1.315 302 L HN 1.017 nan 8.230 nan 0.000 0.445 303 Y N -0.819 119.469 120.300 -0.020 0.000 2.581 303 Y HA 0.719 5.269 4.550 0.000 0.000 0.337 303 Y C -1.103 174.649 175.900 -0.246 0.000 1.108 303 Y CA -1.381 56.662 58.100 -0.095 0.000 1.033 303 Y CB 1.401 39.827 38.460 -0.058 0.000 1.318 303 Y HN 0.215 nan 8.280 nan 0.000 0.459 304 V N -0.287 119.474 119.914 -0.255 0.000 2.577 304 V HA 0.730 4.850 4.120 0.000 0.000 0.303 304 V C -0.556 175.397 176.094 -0.234 0.000 1.042 304 V CA -0.687 61.279 62.300 -0.556 0.000 0.872 304 V CB 1.119 32.434 31.823 -0.846 0.000 0.998 304 V HN 0.908 nan 8.190 nan 0.000 0.423 305 S N 3.050 118.643 115.700 -0.178 0.000 2.451 305 S HA 0.880 5.350 4.470 0.000 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 64.258 63.200 0.019 0.000 1.017 305 S HN 1.730 nan 8.310 nan 0.000 0.482 306 A N 3.594 126.403 122.820 -0.018 0.000 2.380 306 A HA 0.857 5.177 4.320 0.000 0.000 0.315 306 A C -0.640 176.980 177.584 0.060 0.000 1.101 306 A CA -0.701 51.351 52.037 0.025 0.000 0.771 306 A CB 1.617 20.619 19.000 0.003 0.000 1.287 306 A HN 0.714 nan 8.150 nan 0.000 0.436 307 T N 1.096 115.724 114.554 0.124 0.000 3.031 307 T HA 0.485 4.835 4.350 0.000 0.000 0.305 307 T C -0.772 174.057 174.700 0.214 0.000 0.985 307 T CA -0.344 61.844 62.100 0.147 0.000 1.008 307 T CB 1.051 70.007 68.868 0.146 0.000 1.005 307 T HN 0.520 nan 8.240 nan 0.000 0.444 308 V N 4.490 124.512 119.914 0.180 0.000 2.617 308 V HA 0.598 4.718 4.120 0.000 0.000 0.298 308 V C -0.103 176.122 176.094 0.219 0.000 1.048 308 V CA -0.838 61.567 62.300 0.174 0.000 0.964 308 V CB 1.524 33.461 31.823 0.191 0.000 1.004 308 V HN 0.780 nan 8.190 nan 0.000 0.466 309 I N 4.275 124.927 120.570 0.137 0.000 2.466 309 I HA 0.393 4.563 4.170 0.000 0.000 0.289 309 I C -0.280 175.818 176.117 -0.031 0.000 1.026 309 I CA -0.593 60.785 61.300 0.131 0.000 1.078 309 I CB 1.832 39.943 38.000 0.185 0.000 1.249 309 I HN 0.365 nan 8.210 nan 0.000 0.429 310 L N 4.807 126.025 121.223 -0.007 0.000 2.483 310 L HA 0.078 4.418 4.340 0.000 0.000 0.275 310 L C 1.201 178.048 176.870 -0.039 0.000 1.220 310 L CA 0.036 54.811 54.840 -0.108 0.000 0.833 310 L CB 0.153 42.231 42.059 0.031 0.000 1.102 310 L HN 0.670 nan 8.230 nan 0.000 0.490 311 H N -0.388 118.701 119.070 0.032 0.000 2.545 311 H HA -0.094 4.463 4.556 0.000 0.000 0.282 311 H C 1.983 177.342 175.328 0.053 0.000 1.020 311 H CA 0.940 57.011 56.048 0.037 0.000 1.243 311 H CB 0.308 30.083 29.762 0.022 0.000 1.377 311 H HN 0.736 nan 8.280 nan 0.000 0.581 312 S N -1.067 114.736 115.700 0.172 0.000 2.527 312 S HA 0.080 4.550 4.470 0.000 0.000 0.222 312 S C 2.022 176.691 174.600 0.116 0.000 0.985 312 S CA 0.338 58.618 58.200 0.134 0.000 0.921 312 S CB 0.206 63.485 63.200 0.132 0.000 0.772 312 S HN 0.606 nan 8.310 nan 0.000 0.529 313 G N 1.052 109.924 108.800 0.120 0.000 2.189 313 G HA2 -0.351 3.609 3.960 0.000 0.000 0.267 313 G HA3 -0.351 3.609 3.960 0.000 0.000 0.267 313 G C 0.982 175.944 174.900 0.103 0.000 0.975 313 G CA 0.682 45.847 45.100 0.108 0.000 0.644 313 G HN 0.712 nan 8.290 nan 0.000 0.537 314 S N -0.626 115.144 115.700 0.118 0.000 2.357 314 S HA 0.243 4.713 4.470 0.000 0.000 0.221 314 S C 0.671 175.342 174.600 0.118 0.000 1.031 314 S CA 1.309 59.578 58.200 0.115 0.000 0.982 314 S CB 0.248 63.529 63.200 0.134 0.000 0.853 314 S HN 0.616 nan 8.310 nan 0.000 0.458 315 D N -0.454 120.040 120.400 0.158 0.000 2.896 315 D HA 0.582 5.223 4.640 0.000 0.000 0.241 315 D C -1.157 175.244 176.300 0.167 0.000 1.188 315 D CA -0.228 53.861 54.000 0.149 0.000 0.879 315 D CB 1.385 42.303 40.800 0.196 0.000 1.553 315 D HN 0.021 nan 8.370 nan 0.000 0.515 316 M N 2.546 122.176 119.600 0.051 0.000 2.578 316 M HA 0.664 5.144 4.480 0.000 0.000 0.321 316 M C -1.410 174.810 176.300 -0.132 0.000 1.182 316 M CA -0.826 54.499 55.300 0.041 0.000 0.965 316 M CB 2.010 34.631 32.600 0.035 0.000 1.694 316 M HN 0.182 nan 8.290 nan 0.000 0.461 317 V N 2.754 122.600 119.914 -0.114 0.000 2.668 317 V HA 0.353 4.473 4.120 0.000 0.000 0.304 317 V C -0.905 175.149 176.094 -0.067 0.000 1.071 317 V CA -0.843 61.325 62.300 -0.220 0.000 0.894 317 V CB 1.919 33.423 31.823 -0.531 0.000 1.008 317 V HN 0.835 nan 8.190 nan 0.000 0.425 318 Q N 1.915 121.676 119.800 -0.066 0.000 2.193 318 Q HA 0.896 5.236 4.340 0.000 0.000 0.246 318 Q C -0.330 175.648 176.000 -0.037 0.000 0.959 318 Q CA -0.400 55.387 55.803 -0.027 0.000 0.904 318 Q CB 2.247 30.973 28.738 -0.020 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 -0.018 0.000 2.590 319 A HA 0.455 4.775 4.320 0.000 0.000 0.296 319 A C -1.888 175.687 177.584 -0.016 0.000 1.050 319 A CA -0.658 51.366 52.037 -0.021 0.000 0.697 319 A CB 1.629 20.615 19.000 -0.024 0.000 1.277 319 A HN 0.715 nan 8.150 nan 0.000 0.411 320 E N 1.098 121.290 120.200 -0.014 0.000 2.291 320 E HA 0.571 4.921 4.350 0.000 0.000 0.276 320 E C -0.940 175.656 176.600 -0.008 0.000 0.896 320 E CA -0.791 55.603 56.400 -0.009 0.000 0.774 320 E CB 1.574 31.287 29.700 0.021 0.000 1.227 320 E HN 0.711 nan 8.360 nan 0.000 0.413 321 R N 2.493 122.981 120.500 -0.021 0.000 2.265 321 R HA 0.394 4.735 4.340 0.000 0.000 0.314 321 R C -1.238 175.078 176.300 0.027 0.000 1.053 321 R CA 0.042 56.137 56.100 -0.007 0.000 0.931 321 R CB 1.235 31.521 30.300 -0.022 0.000 1.024 321 R HN 0.457 nan 8.270 nan 0.000 0.457 322 S N 2.206 117.927 115.700 0.034 0.000 2.718 322 S HA 0.572 5.042 4.470 0.000 0.000 0.300 322 S C -0.196 174.440 174.600 0.061 0.000 1.117 322 S CA -0.455 57.774 58.200 0.050 0.000 1.002 322 S CB 1.632 64.822 63.200 -0.017 0.000 1.092 322 S HN 0.944 nan 8.310 nan 0.000 0.542 323 G N 1.091 109.933 108.800 0.070 0.000 2.332 323 G HA2 -0.240 3.720 3.960 0.000 0.000 0.277 323 G HA3 -0.240 3.720 3.960 0.000 0.000 0.277 323 G C -0.303 174.654 174.900 0.095 0.000 0.884 323 G CA 0.107 45.254 45.100 0.077 0.000 1.251 323 G HN 0.561 nan 8.290 nan 0.000 0.462 324 I N 1.840 122.480 120.570 0.118 0.000 2.371 324 I HA 0.246 4.416 4.170 0.000 0.000 0.290 324 I C -1.806 174.411 176.117 0.166 0.000 1.028 324 I CA -2.333 59.047 61.300 0.133 0.000 1.345 324 I CB 1.507 39.580 38.000 0.121 0.000 1.407 324 I HN 0.019 nan 8.210 nan 0.000 0.501 325 P HA 0.251 nan 4.420 nan 0.000 0.279 325 P C -0.624 176.825 177.300 0.248 0.000 1.239 325 P CA -0.181 63.029 63.100 0.184 0.000 0.789 325 P CB 0.598 32.389 31.700 0.151 0.000 0.933 326 I N 3.412 124.109 120.570 0.211 0.000 2.301 326 I HA 0.275 4.445 4.170 0.000 0.000 0.292 326 I C 0.281 176.506 176.117 0.180 0.000 1.046 326 I CA -0.498 60.947 61.300 0.241 0.000 1.282 326 I CB 0.537 38.660 38.000 0.206 0.000 1.409 326 I HN 0.105 nan 8.210 nan 0.000 0.484 327 V N 1.526 121.563 119.914 0.205 0.000 3.007 327 V HA 0.513 4.633 4.120 0.000 0.000 0.311 327 V C 0.545 176.759 176.094 0.200 0.000 1.120 327 V CA -0.501 61.886 62.300 0.146 0.000 0.980 327 V CB 1.464 33.322 31.823 0.059 0.000 1.033 327 V HN 0.739 nan 8.190 nan 0.000 0.429 328 T N -1.878 112.772 114.554 0.159 0.000 3.037 328 T HA 0.240 4.590 4.350 0.000 0.000 0.252 328 T C 0.813 175.655 174.700 0.236 0.000 1.073 328 T CA 0.787 63.032 62.100 0.243 0.000 1.091 328 T CB 0.152 69.104 68.868 0.140 0.000 0.935 328 T HN 1.042 nan 8.240 nan 0.000 0.488 329 S N 0.996 116.718 115.700 0.036 0.000 2.536 329 S HA 0.552 5.022 4.470 0.000 0.000 0.287 329 S C -2.366 172.012 174.600 -0.371 0.000 1.101 329 S CA -1.586 56.538 58.200 -0.127 0.000 0.950 329 S CB 1.922 65.064 63.200 -0.097 0.000 1.056 329 S HN -0.146 nan 8.310 nan 0.000 0.481 330 P HA 0.050 nan 4.420 nan 0.000 0.217 330 P C -0.708 176.012 177.300 -0.967 0.000 1.150 330 P CA 1.242 63.597 63.100 -1.242 0.000 0.832 330 P CB -0.015 30.891 31.700 -1.324 0.000 0.787 331 Y N -1.419 118.674 120.300 -0.345 0.000 2.496 331 Y HA 0.549 5.099 4.550 0.000 0.000 0.331 331 Y C 0.965 176.710 175.900 -0.258 0.000 1.140 331 Y CA -0.823 57.112 58.100 -0.276 0.000 1.166 331 Y CB 0.864 39.185 38.460 -0.232 0.000 1.249 331 Y HN -0.245 nan 8.280 nan 0.000 0.479 332 Q N 1.136 120.871 119.800 -0.109 0.000 2.359 332 Q HA 0.707 5.047 4.340 0.000 0.000 0.275 332 Q C -1.483 174.270 176.000 -0.413 0.000 1.082 332 Q CA -0.925 54.728 55.803 -0.250 0.000 0.849 332 Q CB 2.663 31.279 28.738 -0.203 0.000 1.377 332 Q HN 0.607 nan 8.270 nan 0.000 0.452 333 I N 2.046 122.227 120.570 -0.649 0.000 2.478 333 I HA 0.363 4.534 4.170 0.000 0.000 0.287 333 I C -1.115 174.449 176.117 -0.921 0.000 1.042 333 I CA -0.659 60.239 61.300 -0.671 0.000 1.067 333 I CB 1.355 39.061 38.000 -0.489 0.000 1.233 333 I HN 0.485 nan 8.210 nan 0.000 0.431 334 H N 6.235 125.082 119.070 -0.372 0.000 2.600 334 H HA 0.354 4.910 4.556 0.000 0.000 0.357 334 H C -0.755 174.415 175.328 -0.264 0.000 1.106 334 H CA -0.581 55.317 56.048 -0.250 0.000 1.193 334 H CB 2.232 32.057 29.762 0.105 0.000 1.594 334 H HN 0.447 nan 8.280 nan 0.000 0.526 335 F N 0.596 120.642 119.950 0.161 0.000 2.668 335 F HA 0.036 4.563 4.527 0.000 0.000 0.301 335 F C 2.016 177.836 175.800 0.035 0.000 1.106 335 F CA -0.203 57.838 58.000 0.069 0.000 1.289 335 F CB 0.231 39.256 39.000 0.043 0.000 1.006 335 F HN 0.462 nan 8.300 nan 0.000 0.535 336 T N -3.819 110.837 114.554 0.171 0.000 3.148 336 T HA 0.029 4.379 4.350 0.000 0.000 0.253 336 T C 1.409 176.054 174.700 -0.092 0.000 1.134 336 T CA 0.541 62.676 62.100 0.058 0.000 1.051 336 T CB -0.137 68.753 68.868 0.037 0.000 0.959 336 T HN 0.197 nan 8.240 nan 0.000 0.525 337 K N 0.501 120.807 120.400 -0.157 0.000 2.358 337 K HA 0.197 4.517 4.320 0.000 0.000 0.200 337 K C -0.117 176.337 176.600 -0.244 0.000 1.030 337 K CA -0.022 56.038 56.287 -0.379 0.000 1.097 337 K CB 0.862 33.046 32.500 -0.526 0.000 0.862 337 K HN 0.202 nan 8.250 nan 0.000 0.534 338 T N 2.828 117.346 114.554 -0.060 0.000 2.824 338 T HA 0.294 4.645 4.350 0.000 0.000 0.280 338 T C -2.569 172.167 174.700 0.059 0.000 0.995 338 T CA -1.790 60.305 62.100 -0.007 0.000 1.009 338 T CB 1.922 70.823 68.868 0.055 0.000 0.955 338 T HN -0.127 nan 8.240 nan 0.000 0.452 339 P HA 0.187 nan 4.420 nan 0.000 0.272 339 P C 0.190 177.537 177.300 0.078 0.000 1.248 339 P CA -0.327 62.851 63.100 0.131 0.000 0.799 339 P CB 0.485 32.327 31.700 0.237 0.000 0.997 340 K N 0.027 120.354 120.400 -0.120 0.000 2.646 340 K HA 0.284 4.604 4.320 0.000 0.000 0.206 340 K C -0.958 175.342 176.600 -0.499 0.000 1.069 340 K CA -0.122 55.974 56.287 -0.318 0.000 1.067 340 K CB 0.049 32.285 32.500 -0.439 0.000 0.807 340 K HN 0.432 nan 8.250 nan 0.000 0.482 341 Y N 0.244 120.550 120.300 0.009 0.000 2.390 341 Y HA 0.301 4.851 4.550 0.000 0.000 0.324 341 Y C -0.303 175.516 175.900 -0.135 0.000 1.151 341 Y CA -2.223 55.862 58.100 -0.025 0.000 1.053 341 Y CB 0.859 39.332 38.460 0.023 0.000 1.277 341 Y HN 0.036 nan 8.280 nan 0.000 0.432 342 F N 0.161 119.944 119.950 -0.277 0.000 2.631 342 F HA 0.970 5.498 4.527 0.000 0.000 0.350 342 F C -1.164 174.467 175.800 -0.282 0.000 1.080 342 F CA -1.493 56.230 58.000 -0.462 0.000 1.026 342 F CB 1.373 39.895 39.000 -0.798 0.000 1.347 342 F HN 0.115 nan 8.300 nan 0.000 0.501 343 K N 1.599 121.696 120.400 -0.505 0.000 2.339 343 K HA 0.454 4.775 4.320 0.000 0.000 0.264 343 K C -2.889 173.374 176.600 -0.561 0.000 0.986 343 K CA -2.128 53.701 56.287 -0.762 0.000 0.866 343 K CB 1.162 33.277 32.500 -0.642 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 0.784 178.067 177.300 -0.028 0.000 1.193 344 P CA 0.750 63.783 63.100 -0.111 0.000 0.763 344 P CB 0.866 32.504 31.700 -0.103 0.000 0.810 345 G N 2.332 111.193 108.800 0.102 0.000 2.317 345 G HA2 -0.240 3.720 3.960 0.000 0.000 0.227 345 G HA3 -0.240 3.720 3.960 0.000 0.000 0.227 345 G C 0.171 175.097 174.900 0.045 0.000 1.042 345 G CA -0.236 44.917 45.100 0.088 0.000 0.623 345 G HN 0.467 nan 8.290 nan 0.000 0.509 346 M N 1.792 121.381 119.600 -0.018 0.000 2.274 346 M HA 0.376 4.856 4.480 0.000 0.000 0.344 346 M C -2.484 173.772 176.300 -0.074 0.000 1.161 346 M CA -1.584 53.668 55.300 -0.079 0.000 1.126 346 M CB 0.765 33.237 32.600 -0.214 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 -1.128 176.174 177.300 0.003 0.000 1.204 347 P CA 0.107 63.201 63.100 -0.009 0.000 0.768 347 P CB 0.185 31.904 31.700 0.031 0.000 0.842 348 F N 3.560 123.450 119.950 -0.101 0.000 2.411 348 F HA 0.296 4.823 4.527 0.000 0.000 0.352 348 F C -0.357 175.426 175.800 -0.029 0.000 1.123 348 F CA -1.429 56.529 58.000 -0.068 0.000 1.044 348 F CB 0.573 39.525 39.000 -0.080 0.000 1.135 348 F HN 0.154 nan 8.300 nan 0.000 0.461 349 D N 6.740 126.957 120.400 -0.304 0.000 2.336 349 D HA 0.247 4.887 4.640 0.000 0.000 0.249 349 D C -0.540 175.341 176.300 -0.697 0.000 1.213 349 D CA 0.174 53.956 54.000 -0.365 0.000 0.870 349 D CB 0.915 41.623 40.800 -0.154 0.000 1.076 349 D HN 0.334 nan 8.370 nan 0.000 0.483 350 L N 3.027 123.909 121.223 -0.567 0.000 2.265 350 L HA 0.269 4.609 4.340 0.000 0.000 0.288 350 L C 0.366 177.093 176.870 -0.239 0.000 1.058 350 L CA -0.075 54.475 54.840 -0.483 0.000 0.809 350 L CB 0.843 42.712 42.059 -0.316 0.000 1.179 350 L HN 0.198 nan 8.230 nan 0.000 0.429 351 M N 4.740 124.229 119.600 -0.186 0.000 2.754 351 M HA 0.266 4.746 4.480 0.000 0.000 0.327 351 M C -0.698 175.600 176.300 -0.003 0.000 1.288 351 M CA -0.390 54.843 55.300 -0.112 0.000 1.324 351 M CB 0.538 33.035 32.600 -0.171 0.000 1.169 351 M HN 0.129 nan 8.290 nan 0.000 0.494 352 V N 3.316 123.246 119.914 0.028 0.000 2.583 352 V HA 0.221 4.342 4.120 0.000 0.000 0.287 352 V C -0.274 175.882 176.094 0.103 0.000 1.051 352 V CA -0.336 62.007 62.300 0.071 0.000 1.010 352 V CB 1.017 32.856 31.823 0.027 0.000 0.988 352 V HN 0.495 nan 8.190 nan 0.000 0.478 353 F N 5.668 125.568 119.950 -0.084 0.000 2.388 353 F HA 0.614 5.141 4.527 0.000 0.000 0.358 353 F C -0.233 175.552 175.800 -0.025 0.000 1.122 353 F CA -1.101 56.873 58.000 -0.044 0.000 1.056 353 F CB 1.428 40.423 39.000 -0.008 0.000 1.155 353 F HN 0.207 nan 8.300 nan 0.000 0.461 354 V N 5.720 125.440 119.914 -0.322 0.000 2.304 354 V HA 0.305 4.425 4.120 0.000 0.000 0.278 354 V C -0.145 175.695 176.094 -0.423 0.000 1.018 354 V CA -0.581 61.510 62.300 -0.349 0.000 0.814 354 V CB 1.272 32.952 31.823 -0.239 0.000 1.021 354 V HN 0.845 nan 8.190 nan 0.000 0.440 355 T N 1.602 115.901 114.554 -0.425 0.000 2.875 355 T HA 0.450 4.800 4.350 0.000 0.000 0.284 355 T C 0.206 174.839 174.700 -0.113 0.000 0.995 355 T CA -0.814 61.099 62.100 -0.312 0.000 1.060 355 T CB 1.213 69.925 68.868 -0.260 0.000 0.967 355 T HN 0.413 nan 8.240 nan 0.000 0.476 356 N N 2.761 121.424 118.700 -0.062 0.000 2.260 356 N HA 0.127 4.867 4.740 0.000 0.000 0.230 356 N C -1.580 173.876 175.510 -0.090 0.000 1.323 356 N CA -1.511 51.497 53.050 -0.071 0.000 0.897 356 N CB 0.323 38.801 38.487 -0.014 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 0.702 178.005 177.300 0.005 0.000 1.170 357 P CA 1.488 64.540 63.100 -0.080 0.000 0.898 357 P CB 0.005 31.657 31.700 -0.080 0.000 0.787 358 D N -0.913 119.512 120.400 0.042 0.000 2.303 358 D HA -0.194 4.447 4.640 0.000 0.000 0.190 358 D C 1.660 177.984 176.300 0.040 0.000 1.011 358 D CA 2.631 56.664 54.000 0.055 0.000 0.860 358 D CB -1.337 39.502 40.800 0.065 0.000 0.961 358 D HN 0.381 nan 8.370 nan 0.000 0.453 359 G N -1.493 107.324 108.800 0.028 0.000 4.080 359 G HA2 -0.004 3.956 3.960 0.000 0.000 0.219 359 G HA3 -0.004 3.956 3.960 0.000 0.000 0.219 359 G C 0.075 174.986 174.900 0.018 0.000 0.843 359 G CA 0.405 45.519 45.100 0.024 0.000 0.856 359 G HN 0.793 nan 8.290 nan 0.000 0.616 360 S N 2.400 118.114 115.700 0.023 0.000 2.549 360 S HA 0.532 5.003 4.470 0.000 0.000 0.283 360 S C -2.017 172.580 174.600 -0.005 0.000 1.320 360 S CA -0.806 57.414 58.200 0.034 0.000 1.058 360 S CB 1.292 64.519 63.200 0.046 0.000 0.882 360 S HN 0.186 nan 8.310 nan 0.000 0.498 361 P HA 0.152 nan 4.420 nan 0.000 0.262 361 P C -0.809 176.513 177.300 0.036 0.000 1.182 361 P CA 0.061 63.167 63.100 0.009 0.000 0.761 361 P CB 0.264 32.042 31.700 0.130 0.000 0.795 362 A N 4.566 127.395 122.820 0.014 0.000 2.260 362 A HA 0.364 4.684 4.320 0.000 0.000 0.314 362 A C -0.751 176.894 177.584 0.101 0.000 1.257 362 A CA -0.750 51.334 52.037 0.079 0.000 0.871 362 A CB 0.171 19.237 19.000 0.111 0.000 1.166 362 A HN 0.601 nan 8.150 nan 0.000 0.522 363 Y N 2.380 122.684 120.300 0.006 0.000 2.301 363 Y HA 0.420 4.970 4.550 0.000 0.000 0.325 363 Y C 1.259 177.142 175.900 -0.029 0.000 1.203 363 Y CA 0.107 58.201 58.100 -0.010 0.000 1.255 363 Y CB 0.485 38.948 38.460 0.004 0.000 1.232 363 Y HN 0.915 nan 8.280 nan 0.000 0.501 364 R N 1.811 121.769 120.500 -0.904 0.000 3.951 364 R HA -0.185 4.155 4.340 0.000 0.000 0.352 364 R C -1.027 175.021 176.300 -0.421 0.000 1.178 364 R CA 0.717 56.294 56.100 -0.873 0.000 0.949 364 R CB -1.669 28.033 30.300 -0.996 0.000 1.452 364 R HN 0.421 nan 8.270 nan 0.000 0.540 365 V N 2.386 122.097 119.914 -0.338 0.000 2.488 365 V HA 0.375 4.496 4.120 0.000 0.000 0.277 365 V C -1.823 174.089 176.094 -0.304 0.000 1.046 365 V CA -1.631 60.449 62.300 -0.367 0.000 0.986 365 V CB 1.199 32.702 31.823 -0.533 0.000 0.989 365 V HN -0.007 nan 8.190 nan 0.000 0.475 366 P HA 0.313 nan 4.420 nan 0.000 0.275 366 P C -0.878 176.302 177.300 -0.199 0.000 1.227 366 P CA 0.165 63.144 63.100 -0.202 0.000 0.781 366 P CB 1.422 33.022 31.700 -0.166 0.000 0.906 367 V N -1.027 118.798 119.914 -0.148 0.000 3.049 367 V HA 0.987 5.107 4.120 0.000 0.000 0.309 367 V C -1.168 174.874 176.094 -0.086 0.000 1.148 367 V CA -1.051 61.175 62.300 -0.123 0.000 0.990 367 V CB 1.577 33.329 31.823 -0.118 0.000 1.039 367 V HN 0.871 nan 8.190 nan 0.000 0.430 368 A N 2.138 124.918 122.820 -0.066 0.000 2.564 368 A HA 0.914 5.235 4.320 0.000 0.000 0.291 368 A C -0.967 176.598 177.584 -0.032 0.000 1.102 368 A CA -0.226 51.780 52.037 -0.051 0.000 0.660 368 A CB 1.303 20.271 19.000 -0.054 0.000 1.283 368 A HN 1.745 nan 8.150 nan 0.000 0.430 369 V N 0.327 120.223 119.914 -0.031 0.000 3.234 369 V HA 0.318 4.438 4.120 0.000 0.000 0.317 369 V C 1.721 177.801 176.094 -0.025 0.000 1.081 369 V CA 0.189 62.477 62.300 -0.021 0.000 1.037 369 V CB 1.355 33.158 31.823 -0.033 0.000 1.148 369 V HN 1.126 nan 8.190 nan 0.000 0.453 370 Q N 1.965 121.753 119.800 -0.021 0.000 1.935 370 Q HA -0.157 4.183 4.340 0.000 0.000 0.212 370 Q C 1.909 177.892 176.000 -0.028 0.000 1.008 370 Q CA 2.780 58.569 55.803 -0.022 0.000 0.868 370 Q CB -1.327 27.398 28.738 -0.022 0.000 0.946 370 Q HN 0.946 nan 8.270 nan 0.000 0.418 371 G N 0.444 109.224 108.800 -0.035 0.000 2.628 371 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 371 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 371 G C -0.007 174.873 174.900 -0.033 0.000 1.240 371 G CA 0.887 45.966 45.100 -0.035 0.000 0.792 371 G HN 0.463 nan 8.290 nan 0.000 0.593 372 E N 1.105 121.282 120.200 -0.038 0.000 2.200 372 E HA 0.175 4.525 4.350 0.000 0.000 0.283 372 E C 0.069 176.649 176.600 -0.034 0.000 1.015 372 E CA -0.415 55.964 56.400 -0.036 0.000 0.819 372 E CB 1.523 31.200 29.700 -0.040 0.000 1.081 372 E HN 0.224 nan 8.360 nan 0.000 0.397 373 D N 1.430 121.812 120.400 -0.030 0.000 2.183 373 D HA -0.115 4.525 4.640 0.000 0.000 0.203 373 D C 1.666 177.946 176.300 -0.033 0.000 0.969 373 D CA 1.118 55.100 54.000 -0.031 0.000 0.842 373 D CB -0.014 40.770 40.800 -0.026 0.000 0.957 373 D HN 0.362 nan 8.370 nan 0.000 0.484 374 T N 0.088 114.623 114.554 -0.031 0.000 2.942 374 T HA -0.040 4.310 4.350 0.000 0.000 0.265 374 T C 0.887 175.566 174.700 -0.035 0.000 1.062 374 T CA 0.084 62.166 62.100 -0.030 0.000 1.139 374 T CB -0.086 68.767 68.868 -0.026 0.000 0.883 374 T HN -0.044 nan 8.240 nan 0.000 0.468 375 V N 2.780 122.671 119.914 -0.038 0.000 2.450 375 V HA 0.354 4.475 4.120 0.000 0.000 0.281 375 V C -0.512 175.553 176.094 -0.048 0.000 1.019 375 V CA 0.129 62.403 62.300 -0.042 0.000 1.062 375 V CB 0.464 32.260 31.823 -0.045 0.000 0.979 375 V HN 0.478 nan 8.190 nan 0.000 0.477 376 Q N 4.400 124.170 119.800 -0.051 0.000 2.495 376 Q HA 0.750 5.091 4.340 0.000 0.000 0.287 376 Q C -1.213 174.749 176.000 -0.063 0.000 1.078 376 Q CA -0.601 55.165 55.803 -0.061 0.000 0.793 376 Q CB 2.590 31.290 28.738 -0.063 0.000 1.459 376 Q HN 0.969 nan 8.270 nan 0.000 0.422 377 S N 0.418 116.073 115.700 -0.075 0.000 2.570 377 S HA 0.455 4.926 4.470 0.000 0.000 0.286 377 S C -1.334 173.210 174.600 -0.093 0.000 1.143 377 S CA -0.685 57.471 58.200 -0.074 0.000 0.921 377 S CB 0.693 63.854 63.200 -0.065 0.000 1.108 377 S HN 0.382 nan 8.310 nan 0.000 0.456 378 L N 2.076 123.240 121.223 -0.098 0.000 2.598 378 L HA 0.596 4.936 4.340 0.000 0.000 0.202 378 L C 0.900 177.707 176.870 -0.106 0.000 1.190 378 L CA 0.134 54.893 54.840 -0.134 0.000 0.869 378 L CB 0.251 42.211 42.059 -0.165 0.000 1.529 378 L HN 0.897 nan 8.230 nan 0.000 0.520 379 T N -0.036 114.443 114.554 -0.125 0.000 2.833 379 T HA 0.405 4.755 4.350 0.000 0.000 0.297 379 T C -0.250 174.519 174.700 0.115 0.000 1.015 379 T CA -0.692 61.389 62.100 -0.032 0.000 0.963 379 T CB 0.958 69.791 68.868 -0.059 0.000 0.955 379 T HN 0.345 nan 8.240 nan 0.000 0.449 380 Q N 1.145 121.038 119.800 0.155 0.000 2.651 380 Q HA 0.268 4.608 4.340 0.000 0.000 0.224 380 Q C 1.801 177.964 176.000 0.271 0.000 1.094 380 Q CA -0.177 55.781 55.803 0.258 0.000 1.018 380 Q CB 0.283 29.086 28.738 0.107 0.000 1.292 380 Q HN 0.871 nan 8.270 nan 0.000 0.588 381 G N 0.954 109.782 108.800 0.047 0.000 2.601 381 G HA2 -0.223 3.737 3.960 0.000 0.000 0.214 381 G HA3 -0.223 3.737 3.960 0.000 0.000 0.214 381 G C 0.256 175.157 174.900 0.001 0.000 1.132 381 G CA 0.999 46.012 45.100 -0.146 0.000 0.761 381 G HN 0.737 nan 8.290 nan 0.000 0.550 382 D N -1.370 119.070 120.400 0.067 0.000 2.402 382 D HA 0.218 4.859 4.640 0.000 0.000 0.216 382 D C 1.440 177.846 176.300 0.177 0.000 1.128 382 D CA -0.169 53.883 54.000 0.087 0.000 0.833 382 D CB -0.553 40.272 40.800 0.041 0.000 0.971 382 D HN 0.265 nan 8.370 nan 0.000 0.503 383 G N 0.044 108.947 108.800 0.172 0.000 2.273 383 G HA2 -0.203 3.757 3.960 0.000 0.000 0.280 383 G HA3 -0.203 3.757 3.960 0.000 0.000 0.280 383 G C -0.121 174.914 174.900 0.225 0.000 1.047 383 G CA 0.490 45.686 45.100 0.160 0.000 0.869 383 G HN 0.398 nan 8.290 nan 0.000 0.502 384 V N -0.553 119.450 119.914 0.148 0.000 2.735 384 V HA 0.896 5.017 4.120 0.000 0.000 0.310 384 V C 0.279 176.392 176.094 0.031 0.000 1.061 384 V CA -0.348 62.013 62.300 0.101 0.000 0.913 384 V CB 2.060 33.905 31.823 0.037 0.000 1.005 384 V HN 1.326 nan 8.190 nan 0.000 0.428 385 A N 3.476 126.296 122.820 0.001 0.000 2.343 385 A HA 0.792 5.112 4.320 0.000 0.000 0.308 385 A C -0.696 176.857 177.584 -0.053 0.000 1.092 385 A CA -0.779 51.237 52.037 -0.033 0.000 0.751 385 A CB 1.349 20.317 19.000 -0.054 0.000 1.203 385 A HN 0.803 nan 8.150 nan 0.000 0.452 386 K N 3.180 123.543 120.400 -0.062 0.000 2.264 386 K HA 0.646 4.967 4.320 0.000 0.000 0.277 386 K C -1.530 175.019 176.600 -0.085 0.000 1.067 386 K CA 0.113 56.350 56.287 -0.084 0.000 0.900 386 K CB 0.124 32.578 32.500 -0.076 0.000 1.124 386 K HN 0.609 nan 8.250 nan 0.000 0.469 387 L N 3.517 124.676 121.223 -0.106 0.000 2.365 387 L HA 0.500 4.841 4.340 0.000 0.000 0.273 387 L C -0.759 176.031 176.870 -0.133 0.000 1.000 387 L CA -0.764 54.016 54.840 -0.100 0.000 0.819 387 L CB 2.305 44.312 42.059 -0.086 0.000 1.284 387 L HN 0.847 nan 8.230 nan 0.000 0.418 388 S N 3.487 119.128 115.700 -0.098 0.000 2.519 388 S HA 0.754 5.224 4.470 0.000 0.000 0.309 388 S C -0.648 173.916 174.600 -0.060 0.000 1.100 388 S CA -0.760 57.385 58.200 -0.093 0.000 1.059 388 S CB 1.495 64.662 63.200 -0.055 0.000 1.008 388 S HN 0.529 nan 8.310 nan 0.000 0.478 389 I N 0.092 120.637 120.570 -0.043 0.000 2.404 389 I HA 0.535 4.705 4.170 0.000 0.000 0.293 389 I C -0.581 175.526 176.117 -0.016 0.000 0.992 389 I CA -1.010 60.269 61.300 -0.035 0.000 1.149 389 I CB 1.463 39.435 38.000 -0.047 0.000 1.315 389 I HN 0.502 nan 8.210 nan 0.000 0.446 390 N N 4.377 123.052 118.700 -0.041 0.000 2.442 390 N HA 0.089 4.829 4.740 0.000 0.000 0.265 390 N C -0.177 175.281 175.510 -0.086 0.000 1.138 390 N CA -0.004 53.023 53.050 -0.038 0.000 0.956 390 N CB 1.483 39.951 38.487 -0.032 0.000 1.067 390 N HN 0.745 nan 8.380 nan 0.000 0.474 391 T N 1.402 115.932 114.554 -0.039 0.000 2.934 391 T HA 0.131 4.481 4.350 0.000 0.000 0.283 391 T C -0.296 174.432 174.700 0.045 0.000 1.005 391 T CA -0.514 61.552 62.100 -0.056 0.000 1.041 391 T CB 0.581 69.455 68.868 0.009 0.000 1.042 391 T HN 0.350 nan 8.240 nan 0.000 0.505 392 H N 3.438 122.538 119.070 0.051 0.000 2.548 392 H HA 0.291 4.847 4.556 0.000 0.000 0.331 392 H C -1.746 173.644 175.328 0.102 0.000 1.093 392 H CA -2.118 53.967 56.048 0.062 0.000 1.367 392 H CB 1.347 31.132 29.762 0.038 0.000 1.455 392 H HN 0.432 nan 8.280 nan 0.000 0.519 393 P HA -0.042 nan 4.420 nan 0.000 0.246 393 P C -0.443 176.919 177.300 0.103 0.000 1.675 393 P CA 0.061 63.240 63.100 0.131 0.000 0.908 393 P CB -0.583 31.178 31.700 0.101 0.000 1.890 394 S N -0.090 115.692 115.700 0.137 0.000 2.449 394 S HA 0.256 4.726 4.470 0.000 0.000 0.310 394 S C 0.537 175.201 174.600 0.108 0.000 1.096 394 S CA -0.715 57.546 58.200 0.101 0.000 1.095 394 S CB 1.238 64.499 63.200 0.102 0.000 1.007 394 S HN -0.091 nan 8.310 nan 0.000 0.474 395 Q N 2.279 122.118 119.800 0.065 0.000 2.800 395 Q HA 0.191 4.531 4.340 0.000 0.000 0.261 395 Q C -0.376 175.661 176.000 0.062 0.000 1.093 395 Q CA 0.460 56.291 55.803 0.047 0.000 0.943 395 Q CB -0.639 28.113 28.738 0.023 0.000 1.591 395 Q HN 0.681 nan 8.270 nan 0.000 0.429 396 K N 1.055 121.519 120.400 0.106 0.000 2.345 396 K HA 0.421 4.741 4.320 0.000 0.000 0.255 396 K C -2.635 174.055 176.600 0.149 0.000 0.934 396 K CA -2.131 54.217 56.287 0.100 0.000 0.801 396 K CB 1.579 34.126 32.500 0.079 0.000 1.137 396 K HN -0.099 nan 8.250 nan 0.000 0.424 397 P HA -0.116 nan 4.420 nan 0.000 0.263 397 P C -1.180 176.158 177.300 0.064 0.000 1.175 397 P CA -0.170 63.008 63.100 0.130 0.000 0.761 397 P CB 0.344 32.089 31.700 0.076 0.000 0.794 398 L N 3.347 124.567 121.223 -0.006 0.000 2.272 398 L HA 0.369 4.709 4.340 0.000 0.000 0.284 398 L C 0.018 176.764 176.870 -0.207 0.000 1.045 398 L CA -0.063 54.632 54.840 -0.243 0.000 0.842 398 L CB 0.481 42.071 42.059 -0.783 0.000 1.224 398 L HN 0.166 nan 8.230 nan 0.000 0.430 399 S N 5.163 120.783 115.700 -0.133 0.000 2.489 399 S HA 0.682 5.152 4.470 0.000 0.000 0.277 399 S C -0.254 174.264 174.600 -0.137 0.000 1.230 399 S CA -0.450 57.680 58.200 -0.116 0.000 1.053 399 S CB -0.019 63.142 63.200 -0.064 0.000 0.955 399 S HN 0.464 nan 8.310 nan 0.000 0.488 400 I N 3.929 124.397 120.570 -0.169 0.000 2.530 400 I HA 0.450 4.620 4.170 0.000 0.000 0.297 400 I C -0.026 176.021 176.117 -0.117 0.000 1.011 400 I CA -0.260 60.947 61.300 -0.155 0.000 1.107 400 I CB 2.325 40.210 38.000 -0.190 0.000 1.285 400 I HN 0.435 nan 8.210 nan 0.000 0.436 401 T N 4.284 118.821 114.554 -0.028 0.000 2.937 401 T HA 0.601 4.951 4.350 0.000 0.000 0.297 401 T C -0.384 174.372 174.700 0.094 0.000 0.991 401 T CA -0.509 61.632 62.100 0.068 0.000 0.990 401 T CB 1.416 70.309 68.868 0.041 0.000 0.991 401 T HN 0.227 nan 8.240 nan 0.000 0.440 402 V N 3.077 123.117 119.914 0.210 0.000 2.966 402 V HA 0.751 4.871 4.120 0.000 0.000 0.317 402 V C 0.201 176.314 176.094 0.032 0.000 1.070 402 V CA -1.013 61.358 62.300 0.118 0.000 1.008 402 V CB 1.851 33.777 31.823 0.171 0.000 1.070 402 V HN 0.828 nan 8.190 nan 0.000 0.457 403 R N 0.678 121.165 120.500 -0.022 0.000 2.566 403 R HA 0.442 4.782 4.340 0.000 0.000 0.271 403 R C -0.535 175.712 176.300 -0.088 0.000 1.071 403 R CA -0.385 55.682 56.100 -0.054 0.000 0.915 403 R CB 1.974 32.251 30.300 -0.038 0.000 1.228 403 R HN 0.918 nan 8.270 nan 0.000 0.449 404 T N 1.633 116.119 114.554 -0.113 0.000 2.855 404 T HA 0.233 4.583 4.350 0.000 0.000 0.314 404 T C 0.139 174.764 174.700 -0.124 0.000 1.077 404 T CA -0.457 61.547 62.100 -0.160 0.000 1.095 404 T CB 0.624 69.383 68.868 -0.183 0.000 0.987 404 T HN 0.398 nan 8.240 nan 0.000 0.546 405 K N 1.053 121.364 120.400 -0.147 0.000 3.350 405 K HA 0.249 4.569 4.320 0.000 0.000 0.167 405 K C -0.673 175.860 176.600 -0.111 0.000 1.058 405 K CA -0.604 55.619 56.287 -0.107 0.000 0.783 405 K CB 1.146 33.591 32.500 -0.092 0.000 0.872 405 K HN 0.628 nan 8.250 nan 0.000 0.561 406 K N 1.563 121.901 120.400 -0.104 0.000 2.227 406 K HA 0.182 4.502 4.320 0.000 0.000 0.280 406 K C -0.031 176.542 176.600 -0.045 0.000 1.041 406 K CA -0.083 56.156 56.287 -0.080 0.000 0.905 406 K CB 0.753 33.228 32.500 -0.041 0.000 1.068 406 K HN 0.115 nan 8.250 nan 0.000 0.470 407 Q N 2.893 122.665 119.800 -0.046 0.000 2.395 407 Q HA -0.018 4.322 4.340 0.000 0.000 0.271 407 Q C -0.389 175.596 176.000 -0.025 0.000 1.026 407 Q CA 0.880 56.662 55.803 -0.035 0.000 0.900 407 Q CB 0.395 29.111 28.738 -0.035 0.000 1.266 407 Q HN 0.811 nan 8.270 nan 0.000 0.430 408 E N -0.853 119.331 120.200 -0.027 0.000 4.129 408 E HA -0.219 4.131 4.350 0.000 0.000 0.354 408 E C -1.087 175.489 176.600 -0.040 0.000 0.673 408 E CA 0.149 56.532 56.400 -0.028 0.000 1.347 408 E CB -0.634 29.055 29.700 -0.019 0.000 1.722 408 E HN 0.297 nan 8.360 nan 0.000 0.410 409 L N 1.198 122.397 121.223 -0.040 0.000 2.334 409 L HA 0.355 4.695 4.340 0.000 0.000 0.276 409 L C 0.412 177.246 176.870 -0.059 0.000 1.014 409 L CA -0.194 54.609 54.840 -0.061 0.000 0.815 409 L CB 1.806 43.843 42.059 -0.036 0.000 1.268 409 L HN 0.054 nan 8.230 nan 0.000 0.428 410 S N 1.064 116.718 115.700 -0.075 0.000 2.592 410 S HA 0.219 4.689 4.470 0.000 0.000 0.271 410 S C 0.771 175.337 174.600 -0.056 0.000 1.326 410 S CA -0.734 57.430 58.200 -0.060 0.000 1.024 410 S CB 0.910 64.072 63.200 -0.063 0.000 0.921 410 S HN 0.551 nan 8.310 nan 0.000 0.527 411 E N 1.094 121.267 120.200 -0.045 0.000 2.401 411 E HA -0.104 4.246 4.350 0.000 0.000 0.199 411 E C 1.881 178.456 176.600 -0.042 0.000 1.023 411 E CA 1.073 57.448 56.400 -0.041 0.000 0.859 411 E CB -0.587 29.093 29.700 -0.034 0.000 0.780 411 E HN 0.794 nan 8.360 nan 0.000 0.523 412 A N 0.907 123.697 122.820 -0.049 0.000 1.935 412 A HA -0.071 4.250 4.320 0.000 0.000 0.214 412 A C 1.933 179.487 177.584 -0.050 0.000 1.178 412 A CA 0.514 52.520 52.037 -0.051 0.000 0.640 412 A CB -0.087 18.872 19.000 -0.069 0.000 0.825 412 A HN 0.105 nan 8.150 nan 0.000 0.447 413 E N 0.311 120.471 120.200 -0.067 0.000 2.338 413 E HA -0.077 4.273 4.350 0.000 0.000 0.197 413 E C 0.185 176.745 176.600 -0.067 0.000 1.007 413 E CA 0.229 56.575 56.400 -0.091 0.000 0.849 413 E CB 0.017 29.599 29.700 -0.196 0.000 0.774 413 E HN 0.599 nan 8.360 nan 0.000 0.506 414 Q N 0.055 119.828 119.800 -0.044 0.000 2.394 414 Q HA 0.356 4.697 4.340 0.000 0.000 0.248 414 Q C -0.387 175.596 176.000 -0.029 0.000 0.992 414 Q CA 0.038 55.827 55.803 -0.022 0.000 0.888 414 Q CB 1.407 30.124 28.738 -0.035 0.000 1.257 414 Q HN 0.019 nan 8.270 nan 0.000 0.462 415 A N 1.330 124.132 122.820 -0.029 0.000 2.342 415 A HA 0.682 5.002 4.320 0.000 0.000 0.323 415 A C -0.088 177.447 177.584 -0.080 0.000 1.125 415 A CA -0.401 51.602 52.037 -0.056 0.000 0.785 415 A CB 1.232 20.193 19.000 -0.064 0.000 1.221 415 A HN 0.753 nan 8.150 nan 0.000 0.463 416 T N -0.512 113.997 114.554 -0.076 0.000 2.888 416 T HA 0.902 5.252 4.350 0.000 0.000 0.288 416 T C -0.504 174.146 174.700 -0.083 0.000 1.063 416 T CA -0.828 61.230 62.100 -0.069 0.000 1.010 416 T CB 1.717 70.570 68.868 -0.024 0.000 1.214 416 T HN 1.015 nan 8.240 nan 0.000 0.533 417 R N -0.616 119.863 120.500 -0.035 0.000 2.687 417 R HA 0.603 4.943 4.340 0.000 0.000 0.265 417 R C -1.788 174.697 176.300 0.308 0.000 1.048 417 R CA -0.259 55.848 56.100 0.011 0.000 0.884 417 R CB 1.728 31.870 30.300 -0.263 0.000 1.258 417 R HN 0.947 nan 8.270 nan 0.000 0.469 418 T N 3.975 118.746 114.554 0.362 0.000 2.876 418 T HA 0.694 5.044 4.350 0.000 0.000 0.289 418 T C -0.532 174.313 174.700 0.242 0.000 1.014 418 T CA -0.739 61.536 62.100 0.291 0.000 0.986 418 T CB 1.177 70.107 68.868 0.104 0.000 1.021 418 T HN 0.620 nan 8.240 nan 0.000 0.458 419 M N 1.301 120.806 119.600 -0.158 0.000 2.691 419 M HA 0.742 5.222 4.480 0.000 0.000 0.293 419 M C -1.375 174.805 176.300 -0.200 0.000 1.259 419 M CA -1.044 54.109 55.300 -0.244 0.000 0.827 419 M CB 2.364 34.555 32.600 -0.681 0.000 1.753 419 M HN 0.418 nan 8.290 nan 0.000 0.465 420 Q N 1.098 120.819 119.800 -0.132 0.000 2.290 420 Q HA 0.750 5.091 4.340 0.000 0.000 0.269 420 Q C -1.902 174.052 176.000 -0.077 0.000 1.016 420 Q CA -0.478 55.270 55.803 -0.091 0.000 0.754 420 Q CB 2.330 31.049 28.738 -0.031 0.000 1.247 420 Q HN 0.918 nan 8.270 nan 0.000 0.451 421 A N 5.033 127.802 122.820 -0.085 0.000 2.276 421 A HA 0.641 4.962 4.320 0.000 0.000 0.316 421 A C -0.851 176.872 177.584 0.231 0.000 1.229 421 A CA -0.579 51.450 52.037 -0.013 0.000 0.851 421 A CB 0.497 19.381 19.000 -0.192 0.000 1.165 421 A HN 0.770 nan 8.150 nan 0.000 0.513 422 L N 3.018 124.475 121.223 0.390 0.000 2.343 422 L HA 0.418 4.759 4.340 0.000 0.000 0.275 422 L C -2.321 174.642 176.870 0.154 0.000 1.056 422 L CA -2.193 52.864 54.840 0.361 0.000 0.804 422 L CB 1.390 43.653 42.059 0.340 0.000 1.203 422 L HN 0.400 nan 8.230 nan 0.000 0.440 423 P HA -0.043 nan 4.420 nan 0.000 0.272 423 P C -0.946 176.151 177.300 -0.339 0.000 1.223 423 P CA -0.166 62.532 63.100 -0.670 0.000 0.784 423 P CB 0.261 31.665 31.700 -0.494 0.000 0.923 424 Y N 2.161 122.188 120.300 -0.455 0.000 2.605 424 Y HA 0.111 4.661 4.550 0.000 0.000 0.336 424 Y C 0.674 176.547 175.900 -0.045 0.000 1.111 424 Y CA -0.012 57.956 58.100 -0.220 0.000 1.422 424 Y CB -0.004 38.382 38.460 -0.123 0.000 1.193 424 Y HN 0.162 nan 8.280 nan 0.000 0.526 425 S N 6.316 121.735 115.700 -0.469 0.000 2.416 425 S HA 0.213 4.683 4.470 0.000 0.000 0.302 425 S C 0.309 174.600 174.600 -0.515 0.000 1.120 425 S CA -0.302 57.671 58.200 -0.378 0.000 1.067 425 S CB -0.823 62.214 63.200 -0.272 0.000 1.057 425 S HN 0.891 nan 8.310 nan 0.000 0.518 426 T N 2.031 116.345 114.554 -0.399 0.000 2.689 426 T HA 0.372 4.722 4.350 0.000 0.000 0.308 426 T C 0.396 174.931 174.700 -0.275 0.000 1.021 426 T CA -0.718 61.148 62.100 -0.390 0.000 0.973 426 T CB 0.253 68.914 68.868 -0.346 0.000 1.113 426 T HN 0.307 nan 8.240 nan 0.000 0.522 427 V N 1.339 121.102 119.914 -0.252 0.000 2.461 427 V HA 0.508 4.628 4.120 0.000 0.000 0.275 427 V C 1.581 177.566 176.094 -0.183 0.000 1.047 427 V CA 0.595 62.760 62.300 -0.225 0.000 0.955 427 V CB 0.032 31.690 31.823 -0.275 0.000 0.988 427 V HN 1.366 nan 8.190 nan 0.000 0.471 428 G N 5.008 113.720 108.800 -0.147 0.000 2.233 428 G HA2 -0.331 3.630 3.960 0.000 0.000 0.270 428 G HA3 -0.331 3.630 3.960 0.000 0.000 0.270 428 G C 0.516 175.347 174.900 -0.115 0.000 1.011 428 G CA 0.516 45.546 45.100 -0.117 0.000 0.762 428 G HN 0.964 nan 8.290 nan 0.000 0.511 429 N N -1.553 117.067 118.700 -0.132 0.000 2.735 429 N HA -0.253 4.488 4.740 0.000 0.000 0.248 429 N C 1.574 177.005 175.510 -0.131 0.000 1.083 429 N CA 1.467 54.443 53.050 -0.123 0.000 0.703 429 N CB -1.410 37.027 38.487 -0.084 0.000 1.005 429 N HN 1.290 nan 8.380 nan 0.000 0.550 430 S N -0.555 115.044 115.700 -0.170 0.000 2.453 430 S HA -0.067 4.403 4.470 0.000 0.000 0.231 430 S C 0.988 175.469 174.600 -0.198 0.000 1.005 430 S CA 0.955 59.054 58.200 -0.169 0.000 0.949 430 S CB 0.235 63.321 63.200 -0.189 0.000 0.774 430 S HN 0.410 nan 8.310 nan 0.000 0.510 431 N N 0.783 119.299 118.700 -0.306 0.000 2.901 431 N HA -0.110 4.631 4.740 0.000 0.000 0.248 431 N C -1.642 173.504 175.510 -0.607 0.000 1.044 431 N CA 0.862 53.657 53.050 -0.425 0.000 0.847 431 N CB -2.166 36.239 38.487 -0.137 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 -0.526 0.000 2.444 432 N HA 0.366 5.106 4.740 0.000 0.000 0.271 432 N C -0.448 174.873 175.510 -0.315 0.000 1.069 432 N CA 0.275 53.150 53.050 -0.292 0.000 0.965 432 N CB 0.354 38.792 38.487 -0.082 0.000 1.092 432 N HN 0.157 nan 8.380 nan 0.000 0.476 433 Y N 0.387 120.831 120.300 0.239 0.000 2.605 433 Y HA 0.615 5.165 4.550 0.000 0.000 0.343 433 Y C -0.460 175.615 175.900 0.293 0.000 1.036 433 Y CA -1.195 57.050 58.100 0.243 0.000 1.065 433 Y CB 1.445 40.002 38.460 0.161 0.000 1.288 433 Y HN 0.267 nan 8.280 nan 0.000 0.481 434 L N 1.855 123.299 121.223 0.368 0.000 2.436 434 L HA 0.575 4.915 4.340 0.000 0.000 0.268 434 L C -1.807 175.163 176.870 0.168 0.000 0.974 434 L CA -0.511 54.517 54.840 0.314 0.000 0.826 434 L CB 1.478 43.740 42.059 0.338 0.000 1.291 434 L HN 0.763 nan 8.230 nan 0.000 0.406 435 H N 4.473 123.559 119.070 0.026 0.000 2.538 435 H HA 0.664 5.220 4.556 0.000 0.000 0.353 435 H C -1.583 173.661 175.328 -0.139 0.000 1.109 435 H CA -0.579 55.438 56.048 -0.052 0.000 1.192 435 H CB 1.545 31.302 29.762 -0.009 0.000 1.555 435 H HN 0.676 nan 8.280 nan 0.000 0.518 436 L N 4.746 125.551 121.223 -0.696 0.000 2.313 436 L HA 0.304 4.644 4.340 0.000 0.000 0.273 436 L C -0.261 176.101 176.870 -0.846 0.000 1.028 436 L CA -0.699 53.708 54.840 -0.722 0.000 0.871 436 L CB 1.004 42.719 42.059 -0.574 0.000 1.242 436 L HN 0.640 nan 8.230 nan 0.000 0.434 437 S N 2.109 117.373 115.700 -0.726 0.000 2.416 437 S HA 0.533 5.003 4.470 0.000 0.000 0.287 437 S C -0.255 174.209 174.600 -0.227 0.000 1.139 437 S CA -0.702 57.261 58.200 -0.394 0.000 1.058 437 S CB 1.606 64.725 63.200 -0.135 0.000 0.967 437 S HN 0.219 nan 8.310 nan 0.000 0.495 438 V N 4.941 124.750 119.914 -0.176 0.000 2.448 438 V HA 0.325 4.445 4.120 0.000 0.000 0.295 438 V C -0.069 175.976 176.094 -0.081 0.000 1.025 438 V CA -1.185 61.043 62.300 -0.120 0.000 0.859 438 V CB 1.417 33.171 31.823 -0.115 0.000 0.988 438 V HN 0.943 nan 8.190 nan 0.000 0.431 439 L N 4.671 125.859 121.223 -0.059 0.000 2.601 439 L HA 0.319 4.660 4.340 0.000 0.000 0.277 439 L C 0.200 177.041 176.870 -0.048 0.000 1.219 439 L CA 0.722 55.535 54.840 -0.045 0.000 0.915 439 L CB -0.390 41.650 42.059 -0.032 0.000 1.160 439 L HN 0.512 nan 8.230 nan 0.000 0.494 440 R N 3.396 123.864 120.500 -0.052 0.000 2.320 440 R HA 0.588 4.928 4.340 0.000 0.000 0.319 440 R C -0.273 175.999 176.300 -0.047 0.000 0.969 440 R CA -0.054 56.010 56.100 -0.060 0.000 0.857 440 R CB 1.386 31.636 30.300 -0.083 0.000 1.160 440 R HN 1.001 nan 8.270 nan 0.000 0.491 441 T N -1.935 112.596 114.554 -0.038 0.000 2.591 441 T HA 0.303 4.653 4.350 0.000 0.000 0.274 441 T C -0.188 174.496 174.700 -0.027 0.000 0.945 441 T CA -1.026 61.057 62.100 -0.027 0.000 1.087 441 T CB 0.968 69.825 68.868 -0.019 0.000 1.416 441 T HN 0.264 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 4.619 4.350 0.000 0.000 0.279 442 E C -0.398 176.193 176.600 -0.015 0.000 1.132 442 E CA -0.181 56.207 56.400 -0.020 0.000 0.888 442 E CB 0.309 29.996 29.700 -0.021 0.000 1.056 442 E HN 0.342 nan 8.360 nan 0.000 0.399 443 L N 3.847 125.065 121.223 -0.007 0.000 2.426 443 L HA 0.242 4.582 4.340 0.000 0.000 0.271 443 L C 0.580 177.447 176.870 -0.005 0.000 1.169 443 L CA 0.388 55.228 54.840 -0.001 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 -0.022 0.000 2.673 444 R HA 0.419 4.759 4.340 0.000 0.000 0.281 444 R C -2.663 173.615 176.300 -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 0.651 177.933 177.300 -0.029 0.000 1.193 445 P CA 0.932 64.016 63.100 -0.027 0.000 0.763 445 P CB 0.787 32.502 31.700 0.024 0.000 0.810 446 G N 2.226 110.995 108.800 -0.052 0.000 2.475 446 G HA2 -0.196 3.764 3.960 0.000 0.000 0.209 446 G HA3 -0.196 3.764 3.960 0.000 0.000 0.209 446 G C 0.106 174.973 174.900 -0.054 0.000 1.127 446 G CA -0.430 44.647 45.100 -0.039 0.000 0.681 446 G HN 0.537 nan 8.290 nan 0.000 0.517 447 E N 1.191 121.356 120.200 -0.058 0.000 2.436 447 E HA 0.385 4.735 4.350 0.000 0.000 0.262 447 E C -0.244 176.305 176.600 -0.085 0.000 1.063 447 E CA 0.887 57.252 56.400 -0.058 0.000 0.944 447 E CB 0.691 30.361 29.700 -0.050 0.000 0.950 447 E HN 0.153 nan 8.360 nan 0.000 0.444 448 T N 2.566 117.080 114.554 -0.068 0.000 2.770 448 T HA 0.366 4.716 4.350 0.000 0.000 0.283 448 T C -1.097 173.563 174.700 -0.066 0.000 0.988 448 T CA -0.753 61.300 62.100 -0.078 0.000 0.957 448 T CB 0.382 69.217 68.868 -0.055 0.000 0.930 448 T HN 0.209 nan 8.240 nan 0.000 0.443 449 L N 5.973 127.145 121.223 -0.084 0.000 2.295 449 L HA 0.612 4.953 4.340 0.000 0.000 0.285 449 L C -0.431 176.417 176.870 -0.036 0.000 1.035 449 L CA -0.365 54.446 54.840 -0.049 0.000 0.806 449 L CB 1.101 43.144 42.059 -0.028 0.000 1.214 449 L HN 0.493 nan 8.230 nan 0.000 0.426 450 N N 3.938 122.624 118.700 -0.022 0.000 2.419 450 N HA 0.324 5.064 4.740 0.000 0.000 0.264 450 N C -1.142 174.358 175.510 -0.018 0.000 1.031 450 N CA -0.264 52.780 53.050 -0.010 0.000 0.951 450 N CB 1.800 40.284 38.487 -0.005 0.000 1.101 450 N HN 0.413 nan 8.380 nan 0.000 0.488 451 V N 2.782 122.698 119.914 0.003 0.000 2.277 451 V HA 0.216 4.336 4.120 0.000 0.000 0.269 451 V C 0.197 176.265 176.094 -0.043 0.000 1.036 451 V CA -1.041 61.214 62.300 -0.075 0.000 0.821 451 V CB 0.172 31.934 31.823 -0.101 0.000 1.052 451 V HN 0.442 nan 8.190 nan 0.000 0.462 452 N N 3.895 122.531 118.700 -0.108 0.000 2.438 452 N HA 0.230 4.970 4.740 0.000 0.000 0.267 452 N C -0.721 174.680 175.510 -0.181 0.000 1.222 452 N CA 0.349 53.367 53.050 -0.053 0.000 0.930 452 N CB 0.199 38.650 38.487 -0.060 0.000 1.083 452 N HN 0.523 nan 8.380 nan 0.000 0.476 453 F N 2.715 122.583 119.950 -0.137 0.000 2.313 453 F HA 0.250 4.777 4.527 0.000 0.000 0.369 453 F C 0.174 175.905 175.800 -0.114 0.000 1.109 453 F CA -0.912 56.945 58.000 -0.239 0.000 1.132 453 F CB 0.716 39.469 39.000 -0.411 0.000 1.291 453 F HN 0.173 nan 8.300 nan 0.000 0.496 454 L N 5.938 127.192 121.223 0.051 0.000 2.280 454 L HA 0.495 4.835 4.340 0.000 0.000 0.287 454 L C -1.137 175.862 176.870 0.215 0.000 1.023 454 L CA -1.036 53.890 54.840 0.143 0.000 0.819 454 L CB 1.007 43.157 42.059 0.151 0.000 1.212 454 L HN 0.418 nan 8.230 nan 0.000 0.420 455 L N 5.700 127.066 121.223 0.237 0.000 2.265 455 L HA 0.546 4.886 4.340 0.000 0.000 0.288 455 L C -0.423 176.568 176.870 0.202 0.000 1.058 455 L CA -0.144 54.850 54.840 0.258 0.000 0.809 455 L CB 0.781 42.965 42.059 0.208 0.000 1.179 455 L HN 0.702 nan 8.230 nan 0.000 0.429 456 R N 6.775 127.423 120.500 0.246 0.000 2.335 456 R HA 0.740 5.080 4.340 0.000 0.000 0.302 456 R C -1.451 174.954 176.300 0.175 0.000 1.147 456 R CA -0.355 55.883 56.100 0.229 0.000 1.111 456 R CB 0.166 30.665 30.300 0.330 0.000 1.122 456 R HN 0.814 nan 8.270 nan 0.000 0.557 457 M N 0.300 119.964 119.600 0.108 0.000 2.605 457 M HA 0.372 4.852 4.480 0.000 0.000 0.281 457 M C -1.520 174.814 176.300 0.057 0.000 1.166 457 M CA -1.055 54.281 55.300 0.059 0.000 0.875 457 M CB 1.721 34.343 32.600 0.037 0.000 1.732 457 M HN 0.274 nan 8.290 nan 0.000 0.504 458 D N 2.174 122.608 120.400 0.057 0.000 2.487 458 D HA 0.000 4.640 4.640 0.000 0.000 0.243 458 D C 0.843 177.184 176.300 0.069 0.000 1.154 458 D CA -0.050 53.989 54.000 0.064 0.000 0.876 458 D CB 0.812 41.656 40.800 0.073 0.000 1.161 458 D HN 0.901 nan 8.370 nan 0.000 0.478 459 R N 2.219 122.739 120.500 0.033 0.000 2.276 459 R HA -0.214 4.127 4.340 0.000 0.000 0.243 459 R C 1.803 178.091 176.300 -0.020 0.000 1.161 459 R CA 1.284 57.389 56.100 0.009 0.000 1.007 459 R CB -0.695 29.604 30.300 -0.002 0.000 0.867 459 R HN 0.453 nan 8.270 nan 0.000 0.472 460 A N 1.921 124.724 122.820 -0.029 0.000 1.894 460 A HA -0.255 4.065 4.320 0.000 0.000 0.220 460 A C 1.162 178.545 177.584 -0.334 0.000 1.237 460 A CA 2.093 54.011 52.037 -0.199 0.000 0.660 460 A CB -0.755 18.104 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 -0.051 0.000 2.592 461 H HA 0.326 4.882 4.556 0.000 0.000 0.279 461 H C 1.340 176.612 175.328 -0.093 0.000 1.089 461 H CA 0.373 56.380 56.048 -0.068 0.000 1.150 461 H CB 0.067 29.788 29.762 -0.067 0.000 1.575 461 H HN 0.778 nan 8.280 nan 0.000 0.547 462 E N 1.718 121.927 120.200 0.015 0.000 2.085 462 E HA -0.205 4.145 4.350 0.000 0.000 0.194 462 E C 2.151 178.709 176.600 -0.070 0.000 0.994 462 E CA 1.285 57.661 56.400 -0.040 0.000 0.801 462 E CB 0.001 29.688 29.700 -0.022 0.000 0.743 462 E HN 0.466 nan 8.360 nan 0.000 0.453 463 A N 0.782 123.568 122.820 -0.057 0.000 2.067 463 A HA -0.158 4.162 4.320 0.000 0.000 0.219 463 A C 1.955 179.495 177.584 -0.073 0.000 1.158 463 A CA 1.318 53.319 52.037 -0.059 0.000 0.661 463 A CB -0.283 18.688 19.000 -0.049 0.000 0.801 463 A HN 0.171 nan 8.150 nan 0.000 0.452 464 K N -0.377 119.979 120.400 -0.073 0.000 1.984 464 K HA -0.017 4.303 4.320 0.000 0.000 0.209 464 K C 0.160 176.671 176.600 -0.148 0.000 1.046 464 K CA 0.525 56.764 56.287 -0.080 0.000 0.934 464 K CB -0.360 32.116 32.500 -0.040 0.000 0.717 464 K HN 0.311 nan 8.250 nan 0.000 0.438 465 I N 2.840 123.277 120.570 -0.222 0.000 2.978 465 I HA -0.158 4.012 4.170 0.000 0.000 0.293 465 I C 1.192 177.109 176.117 -0.333 0.000 1.218 465 I CA 0.932 62.004 61.300 -0.380 0.000 1.393 465 I CB 0.076 37.759 38.000 -0.528 0.000 1.394 465 I HN 0.182 nan 8.210 nan 0.000 0.541 466 R N 5.805 126.096 120.500 -0.349 0.000 2.279 466 R HA 0.164 4.505 4.340 0.000 0.000 0.195 466 R C -0.467 175.776 176.300 -0.096 0.000 0.905 466 R CA 0.328 56.337 56.100 -0.153 0.000 1.044 466 R CB 0.064 30.380 30.300 0.027 0.000 1.056 466 R HN 0.682 nan 8.270 nan 0.000 0.535 467 Y N -2.951 117.199 120.300 -0.250 0.000 2.558 467 Y HA 0.559 5.109 4.550 0.000 0.000 0.333 467 Y C -1.516 174.207 175.900 -0.295 0.000 1.125 467 Y CA -2.248 55.723 58.100 -0.214 0.000 1.039 467 Y CB 0.269 38.690 38.460 -0.065 0.000 1.331 467 Y HN -0.217 nan 8.280 nan 0.000 0.456 468 Y N 1.069 121.488 120.300 0.199 0.000 2.330 468 Y HA 0.604 5.154 4.550 0.000 0.000 0.336 468 Y C 0.107 176.198 175.900 0.319 0.000 1.036 468 Y CA -0.756 57.474 58.100 0.217 0.000 1.125 468 Y CB 2.258 40.789 38.460 0.119 0.000 1.194 468 Y HN 0.705 nan 8.280 nan 0.000 0.469 469 T N 4.971 119.796 114.554 0.451 0.000 2.756 469 T HA 0.351 4.701 4.350 0.000 0.000 0.290 469 T C -1.034 173.989 174.700 0.539 0.000 0.985 469 T CA -0.535 61.806 62.100 0.402 0.000 0.955 469 T CB -0.364 68.711 68.868 0.345 0.000 0.930 469 T HN 0.460 nan 8.240 nan 0.000 0.451 470 Y N 2.647 123.184 120.300 0.396 0.000 2.487 470 Y HA 0.886 5.436 4.550 0.000 0.000 0.337 470 Y C -1.552 174.526 175.900 0.297 0.000 1.076 470 Y CA -1.806 56.518 58.100 0.373 0.000 1.115 470 Y CB 0.828 39.522 38.460 0.389 0.000 1.235 470 Y HN 0.345 nan 8.280 nan 0.000 0.468 471 L N 3.599 125.076 121.223 0.422 0.000 2.415 471 L HA 0.549 4.889 4.340 0.000 0.000 0.256 471 L C -1.137 175.911 176.870 0.298 0.000 1.010 471 L CA -0.840 54.164 54.840 0.273 0.000 0.826 471 L CB 2.463 44.637 42.059 0.192 0.000 1.405 471 L HN 0.610 nan 8.230 nan 0.000 0.410 472 I N 2.227 122.931 120.570 0.222 0.000 2.411 472 I HA 0.398 4.568 4.170 0.000 0.000 0.284 472 I C -0.643 175.541 176.117 0.111 0.000 1.012 472 I CA -0.467 60.959 61.300 0.210 0.000 1.119 472 I CB 1.625 39.715 38.000 0.150 0.000 1.261 472 I HN 0.473 nan 8.210 nan 0.000 0.448 473 M N 5.256 124.925 119.600 0.115 0.000 2.274 473 M HA 0.374 4.855 4.480 0.000 0.000 0.344 473 M C -0.040 176.288 176.300 0.048 0.000 1.161 473 M CA 0.101 55.431 55.300 0.048 0.000 1.126 473 M CB 0.804 33.412 32.600 0.013 0.000 1.522 473 M HN 0.603 nan 8.290 nan 0.000 0.461 474 N N 0.920 119.622 118.700 0.003 0.000 2.635 474 N HA 0.081 4.821 4.740 0.000 0.000 0.260 474 N C -1.090 174.429 175.510 0.014 0.000 1.078 474 N CA -0.283 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 1.887 122.312 120.400 0.041 0.000 3.003 475 K HA -0.230 4.090 4.320 0.000 0.000 0.257 475 K C 0.623 177.278 176.600 0.092 0.000 0.958 475 K CA 1.052 57.407 56.287 0.114 0.000 0.707 475 K CB -1.513 31.094 32.500 0.179 0.000 1.279 475 K HN 0.964 nan 8.250 nan 0.000 0.479 476 G N 0.277 109.096 108.800 0.031 0.000 2.249 476 G HA2 -0.374 3.586 3.960 0.000 0.000 0.273 476 G HA3 -0.374 3.586 3.960 0.000 0.000 0.273 476 G C -0.064 174.829 174.900 -0.012 0.000 1.036 476 G CA 0.992 46.096 45.100 0.007 0.000 0.824 476 G HN 0.695 nan 8.290 nan 0.000 0.504 477 R N -1.684 118.810 120.500 -0.011 0.000 2.817 477 R HA 0.785 5.125 4.340 0.000 0.000 0.268 477 R C -0.409 175.875 176.300 -0.027 0.000 1.027 477 R CA -1.366 54.716 56.100 -0.030 0.000 0.928 477 R CB 1.008 31.287 30.300 -0.035 0.000 1.228 477 R HN 0.083 nan 8.270 nan 0.000 0.469 478 L N 2.525 123.728 121.223 -0.035 0.000 2.361 478 L HA 0.174 4.514 4.340 0.000 0.000 0.278 478 L C 0.647 177.487 176.870 -0.050 0.000 1.113 478 L CA -0.302 54.524 54.840 -0.024 0.000 0.849 478 L CB 1.238 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 3.784 124.968 121.223 -0.065 0.000 2.515 479 L HA 0.323 4.663 4.340 0.000 0.000 0.223 479 L C 0.267 177.073 176.870 -0.107 0.000 1.079 479 L CA 0.876 55.636 54.840 -0.133 0.000 0.857 479 L CB 0.162 42.061 42.059 -0.267 0.000 1.050 479 L HN 0.568 nan 8.230 nan 0.000 0.476 480 K N -0.514 119.865 120.400 -0.035 0.000 2.598 480 K HA 0.658 4.979 4.320 0.000 0.000 0.271 480 K C -2.022 174.601 176.600 0.038 0.000 0.947 480 K CA -0.122 56.175 56.287 0.017 0.000 0.854 480 K CB 1.720 34.266 32.500 0.077 0.000 1.401 480 K HN -0.063 nan 8.250 nan 0.000 0.415 481 A N 1.826 124.626 122.820 -0.034 0.000 2.414 481 A HA 0.755 5.075 4.320 0.000 0.000 0.286 481 A C -0.755 176.630 177.584 -0.333 0.000 1.073 481 A CA -0.046 51.913 52.037 -0.130 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 4.674 3.960 0.000 0.000 0.284 482 G HA3 0.714 4.674 3.960 0.000 0.000 0.284 482 G C -1.150 173.330 174.900 -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 -0.065 120.352 120.500 -0.139 0.000 2.637 483 R HA 0.488 4.828 4.340 0.000 0.000 0.291 483 R C -1.249 175.223 176.300 0.286 0.000 0.963 483 R CA -0.785 55.384 56.100 0.115 0.000 0.901 483 R CB 2.009 32.308 30.300 -0.001 0.000 1.160 483 R HN 0.538 nan 8.270 nan 0.000 0.457 484 Q N 2.207 122.169 119.800 0.270 0.000 2.357 484 Q HA 0.275 4.616 4.340 0.000 0.000 0.266 484 Q C -0.652 175.401 176.000 0.089 0.000 1.021 484 Q CA -0.698 55.151 55.803 0.076 0.000 0.784 484 Q CB 1.470 30.021 28.738 -0.312 0.000 1.243 484 Q HN 0.485 nan 8.270 nan 0.000 0.465 485 V N 2.006 121.958 119.914 0.062 0.000 2.924 485 V HA 0.646 4.766 4.120 0.000 0.000 0.305 485 V C -0.126 175.990 176.094 0.037 0.000 1.073 485 V CA -0.608 61.730 62.300 0.064 0.000 1.098 485 V CB 1.248 33.096 31.823 0.042 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.497 122.004 120.500 0.012 0.000 2.771 486 R HA 0.570 4.910 4.340 0.000 0.000 0.274 486 R C -1.346 174.943 176.300 -0.019 0.000 0.987 486 R CA -0.663 55.432 56.100 -0.008 0.000 0.908 486 R CB 2.194 32.450 30.300 -0.072 0.000 1.213 486 R HN 0.893 nan 8.270 nan 0.000 0.468 487 E N 2.770 122.966 120.200 -0.007 0.000 2.238 487 E HA 0.382 4.732 4.350 0.000 0.000 0.267 487 E C -2.504 174.087 176.600 -0.016 0.000 0.887 487 E CA -2.336 54.058 56.400 -0.011 0.000 0.769 487 E CB 1.921 31.622 29.700 0.002 0.000 1.187 487 E HN 0.438 nan 8.360 nan 0.000 0.416 488 P HA -0.002 nan 4.420 nan 0.000 0.266 488 P C 0.849 178.142 177.300 -0.011 0.000 1.186 488 P CA 1.190 64.274 63.100 -0.027 0.000 0.767 488 P CB 0.453 32.136 31.700 -0.027 0.000 0.820 489 G N 0.837 109.632 108.800 -0.008 0.000 2.284 489 G HA2 -0.281 3.679 3.960 0.000 0.000 0.247 489 G HA3 -0.281 3.679 3.960 0.000 0.000 0.247 489 G C 0.200 175.112 174.900 0.019 0.000 1.012 489 G CA -0.192 44.911 45.100 0.005 0.000 0.618 489 G HN 0.594 nan 8.290 nan 0.000 0.521 490 Q N 0.363 120.176 119.800 0.022 0.000 2.304 490 Q HA 0.453 4.793 4.340 0.000 0.000 0.260 490 Q C 0.367 176.407 176.000 0.066 0.000 0.965 490 Q CA 0.047 55.877 55.803 0.046 0.000 0.898 490 Q CB 0.840 29.608 28.738 0.051 0.000 1.196 490 Q HN 0.291 nan 8.270 nan 0.000 0.402 491 D N 1.088 121.540 120.400 0.086 0.000 2.455 491 D HA 0.094 4.734 4.640 0.000 0.000 0.228 491 D C -0.817 175.573 176.300 0.149 0.000 1.070 491 D CA 0.173 54.243 54.000 0.117 0.000 0.881 491 D CB 0.618 41.478 40.800 0.100 0.000 1.087 491 D HN 0.218 nan 8.370 nan 0.000 0.498 492 L N 1.690 122.987 121.223 0.123 0.000 2.313 492 L HA 0.484 4.824 4.340 0.000 0.000 0.283 492 L C -0.928 176.021 176.870 0.131 0.000 1.013 492 L CA -0.940 53.977 54.840 0.128 0.000 0.816 492 L CB 1.560 43.675 42.059 0.094 0.000 1.236 492 L HN -0.139 nan 8.230 nan 0.000 0.419 493 V N 3.105 123.120 119.914 0.168 0.000 2.709 493 V HA 0.752 4.872 4.120 0.000 0.000 0.308 493 V C -0.719 175.473 176.094 0.162 0.000 1.062 493 V CA -0.813 61.563 62.300 0.128 0.000 0.901 493 V CB 1.649 33.532 31.823 0.099 0.000 1.003 493 V HN 0.398 nan 8.190 nan 0.000 0.425 494 V N 4.977 124.954 119.914 0.105 0.000 2.435 494 V HA 0.520 4.640 4.120 0.000 0.000 0.290 494 V C -0.317 175.828 176.094 0.086 0.000 1.030 494 V CA -0.501 61.872 62.300 0.121 0.000 0.881 494 V CB 1.477 33.341 31.823 0.068 0.000 0.983 494 V HN 0.825 nan 8.190 nan 0.000 0.445 495 L N 8.553 129.863 121.223 0.145 0.000 2.265 495 L HA 0.632 4.972 4.340 0.000 0.000 0.289 495 L C -2.496 174.384 176.870 0.017 0.000 1.033 495 L CA -2.241 52.638 54.840 0.065 0.000 0.814 495 L CB 1.421 43.589 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 -0.045 0.000 1.319 496 P CA -0.280 62.808 63.100 -0.021 0.000 0.885 496 P CB 0.480 32.175 31.700 -0.009 0.000 1.015 497 L N 4.499 125.680 121.223 -0.071 0.000 2.272 497 L HA 0.272 4.612 4.340 0.000 0.000 0.284 497 L C 0.254 177.024 176.870 -0.167 0.000 1.045 497 L CA -0.337 54.431 54.840 -0.121 0.000 0.842 497 L CB -0.036 41.932 42.059 -0.151 0.000 1.224 497 L HN 0.256 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 0.439 4.909 4.470 0.000 0.000 0.282 498 S C 0.047 174.440 174.600 -0.345 0.000 1.338 498 S CA -0.562 57.552 58.200 -0.144 0.000 1.045 498 S CB 0.978 64.150 63.200 -0.046 0.000 0.873 498 S HN 0.429 nan 8.310 nan 0.000 0.516 499 I N 3.404 123.748 120.570 -0.377 0.000 2.464 499 I HA 0.235 4.406 4.170 0.000 0.000 0.277 499 I C 0.738 176.682 176.117 -0.289 0.000 1.040 499 I CA -0.170 60.705 61.300 -0.708 0.000 1.153 499 I CB 0.659 38.335 38.000 -0.539 0.000 1.274 499 I HN 0.952 nan 8.210 nan 0.000 0.469 500 T N 0.501 115.062 114.554 0.011 0.000 2.862 500 T HA 0.247 4.597 4.350 0.000 0.000 0.276 500 T C 1.506 176.375 174.700 0.281 0.000 0.974 500 T CA -0.228 61.989 62.100 0.194 0.000 0.966 500 T CB 1.127 70.126 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 4.237 4.350 0.000 0.000 0.271 501 T C 0.844 175.627 174.700 0.139 0.000 1.104 501 T CA 1.239 63.418 62.100 0.133 0.000 1.114 501 T CB -0.756 68.170 68.868 0.096 0.000 0.867 501 T HN 0.646 nan 8.240 nan 0.000 0.513 502 D N 0.334 120.814 120.400 0.132 0.000 2.378 502 D HA 0.107 4.747 4.640 0.000 0.000 0.227 502 D C 0.916 177.143 176.300 -0.123 0.000 1.012 502 D CA 0.365 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 0.292 120.223 119.950 -0.031 0.000 2.619 503 F HA 0.224 4.751 4.527 0.000 0.000 0.293 503 F C 1.130 176.943 175.800 0.022 0.000 1.119 503 F CA -0.275 57.718 58.000 -0.012 0.000 1.445 503 F CB 0.155 39.106 39.000 -0.083 0.000 1.119 503 F HN -0.174 nan 8.300 nan 0.000 0.573 504 I N 2.855 123.478 120.570 0.089 0.000 2.752 504 I HA -0.049 4.121 4.170 0.000 0.000 0.287 504 I C -1.396 174.525 176.117 -0.328 0.000 1.188 504 I CA -1.128 60.069 61.300 -0.170 0.000 1.427 504 I CB 0.263 38.096 38.000 -0.278 0.000 1.365 504 I HN -0.099 nan 8.210 nan 0.000 0.585 505 P HA -0.005 nan 4.420 nan 0.000 0.226 505 P C -0.106 177.106 177.300 -0.146 0.000 1.161 505 P CA 0.531 63.323 63.100 -0.513 0.000 0.804 505 P CB 0.357 31.669 31.700 -0.647 0.000 0.829 506 S N -0.527 115.142 115.700 -0.051 0.000 2.533 506 S HA 0.673 5.143 4.470 0.000 0.000 0.271 506 S C -1.095 173.526 174.600 0.035 0.000 1.143 506 S CA -0.896 57.310 58.200 0.010 0.000 0.891 506 S CB 0.766 63.923 63.200 -0.073 0.000 1.105 506 S HN 0.051 nan 8.310 nan 0.000 0.468 507 F N 0.252 120.212 119.950 0.016 0.000 2.563 507 F HA 0.807 5.335 4.527 0.000 0.000 0.316 507 F C -0.320 175.483 175.800 0.005 0.000 1.076 507 F CA -1.121 56.892 58.000 0.021 0.000 0.921 507 F CB 1.461 40.584 39.000 0.204 0.000 1.209 507 F HN 0.648 nan 8.300 nan 0.000 0.462 508 R N 2.269 122.821 120.500 0.087 0.000 2.474 508 R HA 0.669 5.009 4.340 0.000 0.000 0.295 508 R C -1.756 174.677 176.300 0.223 0.000 0.980 508 R CA -1.179 54.943 56.100 0.038 0.000 0.934 508 R CB 2.081 32.357 30.300 -0.039 0.000 1.101 508 R HN 0.789 nan 8.270 nan 0.000 0.469 509 L N 3.974 125.295 121.223 0.163 0.000 2.343 509 L HA 0.375 4.715 4.340 0.000 0.000 0.278 509 L C -1.091 175.835 176.870 0.094 0.000 0.996 509 L CA -0.673 54.293 54.840 0.209 0.000 0.831 509 L CB 1.928 44.130 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 0.000 0.000 0.291 510 V C -0.029 176.157 176.094 0.154 0.000 1.018 510 V CA -0.433 61.872 62.300 0.009 0.000 0.842 510 V CB 0.901 32.615 31.823 -0.182 0.000 0.996 510 V HN 0.949 nan 8.190 nan 0.000 0.426 511 A N 5.387 128.309 122.820 0.170 0.000 2.337 511 A HA 0.986 5.306 4.320 0.000 0.000 0.329 511 A C -0.893 176.931 177.584 0.400 0.000 1.146 511 A CA -0.730 51.538 52.037 0.386 0.000 0.800 511 A CB 1.387 20.635 19.000 0.413 0.000 1.220 511 A HN 1.887 nan 8.150 nan 0.000 0.472 512 Y N 0.272 120.775 120.300 0.338 0.000 2.544 512 Y HA 0.728 5.278 4.550 0.000 0.000 0.342 512 Y C -1.155 174.963 175.900 0.364 0.000 1.062 512 Y CA -1.403 56.855 58.100 0.262 0.000 1.023 512 Y CB 1.053 39.714 38.460 0.335 0.000 1.308 512 Y HN 0.887 nan 8.280 nan 0.000 0.457 513 Y N -0.012 120.313 120.300 0.041 0.000 2.659 513 Y HA 0.908 5.459 4.550 0.000 0.000 0.333 513 Y C -0.849 174.929 175.900 -0.203 0.000 1.064 513 Y CA -1.237 56.711 58.100 -0.254 0.000 1.141 513 Y CB 1.741 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 2.488 117.011 114.554 -0.052 0.000 2.923 514 T HA 0.721 5.071 4.350 0.000 0.000 0.311 514 T C -1.699 172.940 174.700 -0.102 0.000 1.183 514 T CA -0.566 61.489 62.100 -0.074 0.000 1.020 514 T CB 0.978 69.739 68.868 -0.179 0.000 1.165 514 T HN 1.260 nan 8.240 nan 0.000 0.482 515 L N 2.209 123.393 121.223 -0.065 0.000 2.838 515 L HA 0.862 5.202 4.340 0.000 0.000 0.266 515 L C -1.851 174.977 176.870 -0.069 0.000 1.040 515 L CA -1.461 53.333 54.840 -0.076 0.000 0.906 515 L CB 1.588 43.604 42.059 -0.072 0.000 1.501 515 L HN 0.750 nan 8.230 nan 0.000 0.407 516 I N 0.017 120.557 120.570 -0.050 0.000 2.412 516 I HA 1.030 5.200 4.170 0.000 0.000 0.296 516 I C 0.068 176.178 176.117 -0.010 0.000 0.987 516 I CA 0.415 61.692 61.300 -0.040 0.000 1.180 516 I CB 1.253 39.241 38.000 -0.021 0.000 1.340 516 I HN 0.929 nan 8.210 nan 0.000 0.455 517 G N 2.920 111.688 108.800 -0.052 0.000 2.489 517 G HA2 0.674 4.634 3.960 0.000 0.000 0.305 517 G HA3 0.674 4.634 3.960 0.000 0.000 0.305 517 G C -0.194 174.650 174.900 -0.094 0.000 1.311 517 G CA -0.134 44.926 45.100 -0.067 0.000 0.813 517 G HN 1.662 nan 8.290 nan 0.000 0.480 518 A N -0.600 122.195 122.820 -0.040 0.000 5.078 518 A HA -0.092 4.228 4.320 0.000 0.000 0.342 518 A C 1.432 179.045 177.584 0.049 0.000 1.749 518 A CA 3.308 55.360 52.037 0.025 0.000 0.700 518 A CB -1.912 17.036 19.000 -0.086 0.000 1.446 518 A HN 2.592 nan 8.150 nan 0.000 0.395 519 S N -0.301 115.396 115.700 -0.005 0.000 2.150 519 S HA 0.572 5.043 4.470 0.000 0.000 0.171 519 S C 0.961 175.552 174.600 -0.015 0.000 1.620 519 S CA 0.816 59.014 58.200 -0.004 0.000 1.190 519 S CB 0.181 63.373 63.200 -0.013 0.000 1.102 519 S HN 2.639 nan 8.310 nan 0.000 0.464 520 G N 1.705 110.501 108.800 -0.006 0.000 2.421 520 G HA2 -0.285 3.676 3.960 0.000 0.000 0.300 520 G HA3 -0.285 3.676 3.960 0.000 0.000 0.300 520 G C -0.220 174.661 174.900 -0.032 0.000 0.974 520 G CA 0.543 45.634 45.100 -0.015 0.000 1.062 520 G HN 0.827 nan 8.290 nan 0.000 0.514 521 Q N -1.251 118.520 119.800 -0.049 0.000 2.322 521 Q HA 0.586 4.926 4.340 0.000 0.000 0.265 521 Q C 0.343 176.293 176.000 -0.083 0.000 0.985 521 Q CA -1.178 54.583 55.803 -0.070 0.000 0.849 521 Q CB 0.861 29.546 28.738 -0.089 0.000 1.274 521 Q HN 0.300 nan 8.270 nan 0.000 0.449 522 R N 2.780 123.233 120.500 -0.079 0.000 2.296 522 R HA 0.175 4.515 4.340 0.000 0.000 0.323 522 R C -1.016 175.209 176.300 -0.125 0.000 1.067 522 R CA 0.379 56.431 56.100 -0.080 0.000 0.946 522 R CB 0.376 30.646 30.300 -0.051 0.000 0.991 522 R HN 0.647 nan 8.270 nan 0.000 0.448 523 E N 2.569 122.692 120.200 -0.128 0.000 2.263 523 E HA 0.547 4.897 4.350 0.000 0.000 0.264 523 E C -1.281 175.224 176.600 -0.159 0.000 0.923 523 E CA -1.152 55.143 56.400 -0.175 0.000 0.802 523 E CB 1.728 31.340 29.700 -0.147 0.000 1.228 523 E HN 0.374 nan 8.360 nan 0.000 0.417 524 V N 2.662 122.432 119.914 -0.239 0.000 2.488 524 V HA 0.344 4.464 4.120 0.000 0.000 0.293 524 V C -0.625 175.417 176.094 -0.086 0.000 1.027 524 V CA -0.879 61.336 62.300 -0.142 0.000 0.862 524 V CB 1.355 33.086 31.823 -0.153 0.000 1.008 524 V HN 0.390 nan 8.190 nan 0.000 0.428 525 V N 3.234 123.013 119.914 -0.226 0.000 2.581 525 V HA 1.015 5.135 4.120 0.000 0.000 0.303 525 V C 0.351 176.274 176.094 -0.285 0.000 1.041 525 V CA -0.022 62.121 62.300 -0.261 0.000 0.907 525 V CB 1.640 33.189 31.823 -0.456 0.000 0.994 525 V HN 1.176 nan 8.190 nan 0.000 0.442 526 A N 3.122 125.929 122.820 -0.021 0.000 2.568 526 A HA 0.901 5.221 4.320 0.000 0.000 0.291 526 A C -1.796 175.703 177.584 -0.143 0.000 1.159 526 A CA -0.500 51.547 52.037 0.018 0.000 0.679 526 A CB 2.139 21.256 19.000 0.196 0.000 1.285 526 A HN 0.785 nan 8.150 nan 0.000 0.428 527 D N -0.953 119.378 120.400 -0.116 0.000 2.812 527 D HA 0.519 5.160 4.640 0.000 0.000 0.210 527 D C -1.034 175.197 176.300 -0.115 0.000 1.260 527 D CA 0.380 54.289 54.000 -0.152 0.000 0.817 527 D CB 1.688 42.406 40.800 -0.137 0.000 1.694 527 D HN 0.834 nan 8.370 nan 0.000 0.530 528 S N 1.251 116.899 115.700 -0.087 0.000 2.482 528 S HA 0.793 5.263 4.470 0.000 0.000 0.303 528 S C -1.006 173.588 174.600 -0.010 0.000 1.091 528 S CA -0.821 57.347 58.200 -0.054 0.000 1.057 528 S CB 1.862 65.029 63.200 -0.055 0.000 1.031 528 S HN 0.560 nan 8.310 nan 0.000 0.485 529 V N 3.890 123.801 119.914 -0.005 0.000 2.638 529 V HA 0.720 4.840 4.120 0.000 0.000 0.306 529 V C -1.821 174.300 176.094 0.046 0.000 1.052 529 V CA -0.556 61.748 62.300 0.006 0.000 0.885 529 V CB 1.663 33.449 31.823 -0.062 0.000 0.999 529 V HN 1.030 nan 8.190 nan 0.000 0.424 530 W N 7.086 128.294 121.300 -0.154 0.000 2.469 530 W HA 0.774 5.434 4.660 0.000 0.000 0.320 530 W C -1.597 174.744 176.519 -0.297 0.000 1.086 530 W CA -1.214 55.999 57.345 -0.219 0.000 1.211 530 W CB 1.532 30.905 29.460 -0.145 0.000 1.298 530 W HN 0.434 nan 8.180 nan 0.000 0.525 531 V N 6.478 126.503 119.914 0.184 0.000 2.488 531 V HA 0.052 4.172 4.120 0.000 0.000 0.293 531 V C -0.468 175.638 176.094 0.021 0.000 1.027 531 V CA -0.889 61.334 62.300 -0.128 0.000 0.862 531 V CB 1.277 32.782 31.823 -0.530 0.000 1.008 531 V HN 0.498 nan 8.190 nan 0.000 0.428 532 D N 3.423 123.869 120.400 0.076 0.000 2.458 532 D HA 0.191 4.831 4.640 0.000 0.000 0.243 532 D C -0.216 176.108 176.300 0.041 0.000 1.146 532 D CA 0.452 54.514 54.000 0.104 0.000 0.877 532 D CB 1.427 42.255 40.800 0.046 0.000 1.176 532 D HN 0.274 nan 8.370 nan 0.000 0.461 533 V N 4.962 124.916 119.914 0.067 0.000 2.432 533 V HA 0.093 4.213 4.120 0.000 0.000 0.275 533 V C 0.420 176.494 176.094 -0.034 0.000 1.043 533 V CA -0.872 61.460 62.300 0.054 0.000 0.925 533 V CB 1.138 33.026 31.823 0.109 0.000 0.985 533 V HN 0.579 nan 8.190 nan 0.000 0.466 534 K N 4.570 124.953 120.400 -0.028 0.000 2.320 534 K HA -0.074 4.246 4.320 0.000 0.000 0.269 534 K C -0.191 176.362 176.600 -0.077 0.000 1.182 534 K CA 0.012 56.275 56.287 -0.041 0.000 1.190 534 K CB -0.390 32.097 32.500 -0.022 0.000 0.850 534 K HN 0.638 nan 8.250 nan 0.000 0.467 535 D N 2.568 122.892 120.400 -0.127 0.000 2.449 535 D HA 0.077 4.717 4.640 0.000 0.000 0.236 535 D C -0.261 176.030 176.300 -0.016 0.000 1.149 535 D CA 0.728 54.584 54.000 -0.240 0.000 0.878 535 D CB 0.809 41.440 40.800 -0.282 0.000 1.198 535 D HN 0.721 nan 8.370 nan 0.000 0.446 536 S N -0.322 115.444 115.700 0.109 0.000 2.714 536 S HA 0.121 4.592 4.470 0.000 0.000 0.284 536 S C -0.488 174.351 174.600 0.398 0.000 1.019 536 S CA -1.194 57.175 58.200 0.282 0.000 0.856 536 S CB -0.422 62.849 63.200 0.118 0.000 1.075 536 S HN 0.609 nan 8.310 nan 0.000 0.455 537 C N 1.970 121.454 119.300 0.306 0.000 2.401 537 C HA 0.064 4.525 4.460 0.000 0.000 0.386 537 C C 2.453 177.589 174.990 0.245 0.000 1.411 537 C CA 0.463 59.615 59.018 0.223 0.000 1.575 537 C CB -0.883 26.901 27.740 0.074 0.000 2.564 537 C HN 0.791 nan 8.230 nan 0.000 0.580 538 V N 2.737 122.793 119.914 0.238 0.000 2.446 538 V HA 0.128 4.248 4.120 0.000 0.000 0.244 538 V C 1.696 177.858 176.094 0.113 0.000 1.039 538 V CA 1.896 64.313 62.300 0.194 0.000 1.045 538 V CB -1.341 30.607 31.823 0.209 0.000 0.681 538 V HN 1.076 nan 8.190 nan 0.000 0.459 539 G N 0.133 108.983 108.800 0.084 0.000 3.022 539 G HA2 0.497 4.457 3.960 0.000 0.000 0.157 539 G HA3 0.497 4.457 3.960 0.000 0.000 0.157 539 G C -0.101 174.829 174.900 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 0.033 0.000 2.618 540 S HA 0.736 5.206 4.470 0.000 0.000 0.277 540 S C -1.744 172.860 174.600 0.008 0.000 1.138 540 S CA -0.646 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 1.033 nan 8.310 nan 0.000 0.474 541 L N 1.162 122.385 121.223 0.001 0.000 2.588 541 L HA 0.810 5.151 4.340 0.000 0.000 0.263 541 L C -1.745 175.121 176.870 -0.007 0.000 0.935 541 L CA -0.173 54.662 54.840 -0.009 0.000 0.891 541 L CB 1.727 43.767 42.059 -0.031 0.000 1.318 541 L HN 0.836 nan 8.230 nan 0.000 0.409 542 V N 4.504 124.417 119.914 -0.002 0.000 2.932 542 V HA 0.640 4.761 4.120 0.000 0.000 0.307 542 V C -1.248 174.847 176.094 0.001 0.000 1.147 542 V CA -0.609 61.691 62.300 -0.001 0.000 0.951 542 V CB 2.788 34.613 31.823 0.004 0.000 1.031 542 V HN 0.379 nan 8.190 nan 0.000 0.426 543 V N 5.612 125.527 119.914 0.001 0.000 2.327 543 V HA 0.396 4.516 4.120 0.000 0.000 0.272 543 V C 0.086 176.184 176.094 0.006 0.000 1.019 543 V CA -0.757 61.545 62.300 0.005 0.000 0.814 543 V CB 1.106 32.932 31.823 0.005 0.000 1.040 543 V HN 0.976 nan 8.190 nan 0.000 0.440 544 K N 1.772 122.177 120.400 0.008 0.000 2.583 544 K HA 0.754 5.074 4.320 0.000 0.000 0.263 544 K C 0.420 177.026 176.600 0.011 0.000 1.038 544 K CA -0.622 55.671 56.287 0.009 0.000 1.031 544 K CB 0.743 33.248 32.500 0.008 0.000 1.399 544 K HN 0.353 nan 8.250 nan 0.000 0.531 545 S N -1.563 114.144 115.700 0.011 0.000 2.603 545 S HA 0.283 4.753 4.470 0.000 0.000 0.268 545 S C 0.923 175.530 174.600 0.011 0.000 1.317 545 S CA -0.185 58.022 58.200 0.012 0.000 1.012 545 S CB 0.686 63.894 63.200 0.012 0.000 0.926 545 S HN 0.674 nan 8.310 nan 0.000 0.539 546 G N 1.713 110.520 108.800 0.011 0.000 2.518 546 G HA2 0.042 4.002 3.960 0.000 0.000 0.213 546 G HA3 0.042 4.002 3.960 0.000 0.000 0.213 546 G C 0.144 175.050 174.900 0.010 0.000 1.226 546 G CA -0.095 45.011 45.100 0.010 0.000 0.822 546 G HN 0.831 nan 8.290 nan 0.000 0.546 547 Q N 1.778 121.583 119.800 0.010 0.000 2.283 547 Q HA 0.163 4.503 4.340 0.000 0.000 0.269 547 Q C 0.951 176.957 176.000 0.009 0.000 1.187 547 Q CA 0.333 56.142 55.803 0.009 0.000 0.922 547 Q CB 1.068 29.811 28.738 0.008 0.000 1.323 547 Q HN 0.188 nan 8.270 nan 0.000 0.432 548 S N 2.059 117.764 115.700 0.008 0.000 2.393 548 S HA -0.245 4.225 4.470 0.000 0.000 0.234 548 S C 0.568 175.173 174.600 0.008 0.000 1.064 548 S CA 2.069 60.274 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 -0.747 119.457 120.200 0.008 0.000 2.367 549 E HA 0.510 4.860 4.350 0.000 0.000 0.273 549 E C -1.596 175.009 176.600 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 31.440 29.700 0.007 0.000 1.252 549 E HN 0.166 nan 8.360 nan 0.000 0.446 550 D N 0.365 120.770 120.400 0.008 0.000 2.926 550 D HA 0.190 4.830 4.640 0.000 0.000 0.282 550 D C -1.516 174.790 176.300 0.009 0.000 1.201 550 D CA -0.457 53.548 54.000 0.008 0.000 0.735 550 D CB 1.003 41.808 40.800 0.009 0.000 1.257 550 D HN 0.406 nan 8.370 nan 0.000 0.428 551 R N 0.589 121.094 120.500 0.008 0.000 2.553 551 R HA 0.477 4.817 4.340 0.000 0.000 0.263 551 R C 0.033 176.339 176.300 0.010 0.000 1.066 551 R CA -0.702 55.403 56.100 0.008 0.000 1.135 551 R CB 0.519 30.823 30.300 0.005 0.000 1.148 551 R HN 0.391 nan 8.270 nan 0.000 0.558 552 Q N 1.436 121.244 119.800 0.012 0.000 2.326 552 Q HA -0.028 4.312 4.340 0.000 0.000 0.314 552 Q C -1.946 174.060 176.000 0.010 0.000 1.091 552 Q CA -0.558 55.254 55.803 0.015 0.000 0.974 552 Q CB 0.032 28.780 28.738 0.018 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 -1.059 176.244 177.300 0.005 0.000 1.276 553 P CA -0.429 62.677 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 0.631 120.546 119.914 0.001 0.000 2.823 554 V HA 0.348 4.469 4.120 0.000 0.000 0.312 554 V C -2.360 173.732 176.094 -0.003 0.000 1.072 554 V CA -2.218 60.078 62.300 -0.005 0.000 0.937 554 V CB 1.745 33.562 31.823 -0.010 0.000 1.013 554 V HN 0.493 nan 8.190 nan 0.000 0.430 555 P HA 0.106 nan 4.420 nan 0.000 0.255 555 P C 0.828 178.128 177.300 -0.000 0.000 1.161 555 P CA 1.833 64.932 63.100 -0.002 0.000 0.768 555 P CB -0.010 31.684 31.700 -0.010 0.000 0.746 556 G N 1.783 110.586 108.800 0.004 0.000 2.176 556 G HA2 -0.277 3.684 3.960 0.000 0.000 0.253 556 G HA3 -0.277 3.684 3.960 0.000 0.000 0.253 556 G C 0.241 175.143 174.900 0.004 0.000 0.979 556 G CA 0.000 45.102 45.100 0.004 0.000 0.641 556 G HN 0.665 nan 8.290 nan 0.000 0.530 557 Q N 0.349 120.151 119.800 0.004 0.000 2.354 557 Q HA 0.476 4.816 4.340 0.000 0.000 0.244 557 Q C 0.406 176.410 176.000 0.006 0.000 0.969 557 Q CA -0.314 55.492 55.803 0.004 0.000 0.885 557 Q CB 0.416 29.156 28.738 0.003 0.000 1.241 557 Q HN 0.475 nan 8.270 nan 0.000 0.461 558 Q N 2.523 122.326 119.800 0.006 0.000 2.314 558 Q HA 0.306 4.646 4.340 0.000 0.000 0.258 558 Q C -0.919 175.086 176.000 0.008 0.000 0.954 558 Q CA 0.071 55.878 55.803 0.007 0.000 0.890 558 Q CB 0.751 29.492 28.738 0.005 0.000 1.210 558 Q HN 0.655 nan 8.270 nan 0.000 0.410 559 M N 1.940 121.546 119.600 0.010 0.000 2.386 559 M HA 0.422 4.902 4.480 0.000 0.000 0.293 559 M C -1.439 174.868 176.300 0.011 0.000 1.120 559 M CA -0.423 54.883 55.300 0.011 0.000 0.909 559 M CB 2.420 35.028 32.600 0.014 0.000 1.661 559 M HN 0.385 nan 8.290 nan 0.000 0.452 560 T N 4.580 119.140 114.554 0.011 0.000 2.771 560 T HA 0.554 4.904 4.350 0.000 0.000 0.291 560 T C -0.874 173.833 174.700 0.012 0.000 0.954 560 T CA -0.412 61.694 62.100 0.011 0.000 1.045 560 T CB 0.830 69.704 68.868 0.009 0.000 0.917 560 T HN 0.558 nan 8.240 nan 0.000 0.484 561 L N 3.605 124.835 121.223 0.012 0.000 2.309 561 L HA 0.553 4.894 4.340 0.000 0.000 0.282 561 L C -0.053 176.824 176.870 0.012 0.000 1.036 561 L CA -0.345 54.503 54.840 0.013 0.000 0.806 561 L CB 1.270 43.338 42.059 0.014 0.000 1.220 561 L HN 0.451 nan 8.230 nan 0.000 0.429 562 K N 5.158 125.565 120.400 0.012 0.000 2.274 562 K HA 0.602 4.922 4.320 0.000 0.000 0.262 562 K C -1.476 175.130 176.600 0.011 0.000 0.961 562 K CA -0.467 55.827 56.287 0.011 0.000 0.833 562 K CB 0.919 33.425 32.500 0.011 0.000 1.102 562 K HN 0.595 nan 8.250 nan 0.000 0.436 563 I N 3.912 124.489 120.570 0.011 0.000 2.420 563 I HA 0.206 4.377 4.170 0.000 0.000 0.282 563 I C -0.654 175.470 176.117 0.012 0.000 1.019 563 I CA -0.572 60.733 61.300 0.010 0.000 1.130 563 I CB 1.816 39.821 38.000 0.008 0.000 1.262 563 I HN 0.498 nan 8.210 nan 0.000 0.454 564 E N 5.176 125.383 120.200 0.012 0.000 2.055 564 E HA 0.602 4.952 4.350 0.000 0.000 0.274 564 E C 0.054 176.664 176.600 0.016 0.000 0.949 564 E CA -0.384 56.026 56.400 0.016 0.000 0.775 564 E CB 1.832 31.541 29.700 0.015 0.000 1.097 564 E HN 0.800 nan 8.360 nan 0.000 0.404 565 G N 2.311 111.123 108.800 0.020 0.000 2.788 565 G HA2 0.154 4.115 3.960 0.000 0.000 0.293 565 G HA3 0.154 4.115 3.960 0.000 0.000 0.293 565 G C -0.963 173.958 174.900 0.035 0.000 1.392 565 G CA -0.767 44.345 45.100 0.020 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 0.034 0.000 2.455 566 D HA 0.089 4.729 4.640 0.000 0.000 0.241 566 D C 0.226 176.567 176.300 0.069 0.000 1.138 566 D CA 0.646 54.679 54.000 0.056 0.000 0.877 566 D CB 0.909 41.736 40.800 0.045 0.000 1.187 566 D HN 0.407 nan 8.370 nan 0.000 0.451 567 H N 0.227 119.304 119.070 0.012 0.000 3.064 567 H HA 0.131 4.688 4.556 0.000 0.000 0.329 567 H C 1.483 176.818 175.328 0.012 0.000 1.020 567 H CA 1.523 57.578 56.048 0.011 0.000 1.402 567 H CB 0.345 30.113 29.762 0.011 0.000 1.379 567 H HN 0.656 nan 8.280 nan 0.000 0.594 568 G N 2.243 110.691 108.800 -0.588 0.000 2.189 568 G HA2 -0.302 3.658 3.960 0.000 0.000 0.267 568 G HA3 -0.302 3.658 3.960 0.000 0.000 0.267 568 G C 0.566 175.374 174.900 -0.153 0.000 0.975 568 G CA 0.513 45.375 45.100 -0.396 0.000 0.644 568 G HN 1.014 nan 8.290 nan 0.000 0.537 569 A N -0.298 122.465 122.820 -0.094 0.000 2.386 569 A HA 0.675 4.995 4.320 0.000 0.000 0.246 569 A C 0.727 178.289 177.584 -0.037 0.000 1.089 569 A CA 0.881 52.894 52.037 -0.041 0.000 0.790 569 A CB 0.286 19.274 19.000 -0.019 0.000 1.042 569 A HN 1.016 nan 8.150 nan 0.000 0.497 570 R N 0.544 121.036 120.500 -0.012 0.000 2.460 570 R HA 0.575 4.915 4.340 0.000 0.000 0.303 570 R C -1.498 174.811 176.300 0.015 0.000 0.968 570 R CA -0.374 55.727 56.100 0.002 0.000 0.889 570 R CB 1.125 31.436 30.300 0.019 0.000 1.123 570 R HN 0.480 nan 8.270 nan 0.000 0.455 571 V N 5.006 124.929 119.914 0.016 0.000 2.581 571 V HA 0.476 4.596 4.120 0.000 0.000 0.303 571 V C -0.461 175.660 176.094 0.045 0.000 1.041 571 V CA -0.823 61.491 62.300 0.023 0.000 0.907 571 V CB 1.706 33.535 31.823 0.010 0.000 0.994 571 V HN 0.647 nan 8.190 nan 0.000 0.442 572 V N 2.902 122.859 119.914 0.072 0.000 2.483 572 V HA 0.674 4.794 4.120 0.000 0.000 0.297 572 V C -0.631 175.508 176.094 0.076 0.000 1.027 572 V CA -0.582 61.769 62.300 0.084 0.000 0.855 572 V CB 1.294 33.200 31.823 0.139 0.000 0.995 572 V HN 0.672 nan 8.190 nan 0.000 0.424 573 L N 4.661 125.916 121.223 0.053 0.000 2.352 573 L HA 0.919 5.259 4.340 0.000 0.000 0.269 573 L C -0.312 176.591 176.870 0.054 0.000 1.034 573 L CA -0.970 53.898 54.840 0.047 0.000 0.806 573 L CB 1.983 44.062 42.059 0.033 0.000 1.244 573 L HN 0.670 nan 8.230 nan 0.000 0.447 574 V N 0.997 120.946 119.914 0.058 0.000 2.966 574 V HA 0.776 4.896 4.120 0.000 0.000 0.288 574 V C -1.568 174.566 176.094 0.067 0.000 1.380 574 V CA -0.250 62.088 62.300 0.063 0.000 0.966 574 V CB 2.043 33.915 31.823 0.081 0.000 1.115 574 V HN 0.863 nan 8.190 nan 0.000 0.436 575 A N 5.388 128.245 122.820 0.061 0.000 2.355 575 A HA 0.943 5.264 4.320 0.000 0.000 0.317 575 A C -1.248 176.378 177.584 0.070 0.000 1.094 575 A CA -0.570 51.508 52.037 0.069 0.000 0.764 575 A CB 2.017 21.049 19.000 0.053 0.000 1.230 575 A HN 1.470 nan 8.150 nan 0.000 0.448 576 V N 2.370 122.345 119.914 0.102 0.000 2.525 576 V HA 0.244 4.364 4.120 0.000 0.000 0.299 576 V C -0.388 175.751 176.094 0.076 0.000 1.034 576 V CA -0.894 61.444 62.300 0.064 0.000 0.863 576 V CB 1.704 33.570 31.823 0.071 0.000 0.999 576 V HN 0.971 nan 8.190 nan 0.000 0.423 577 D N 3.853 124.257 120.400 0.007 0.000 2.570 577 D HA -0.042 4.598 4.640 0.000 0.000 0.243 577 D C 1.116 177.425 176.300 0.015 0.000 1.171 577 D CA 0.526 54.537 54.000 0.019 0.000 0.879 577 D CB 0.812 41.607 40.800 -0.008 0.000 1.143 577 D HN 0.531 nan 8.370 nan 0.000 0.511 578 K N 2.355 122.833 120.400 0.130 0.000 2.585 578 K HA -0.066 4.254 4.320 0.000 0.000 0.194 578 K C 1.760 178.433 176.600 0.123 0.000 1.037 578 K CA 0.533 56.980 56.287 0.267 0.000 0.964 578 K CB 0.106 32.740 32.500 0.224 0.000 0.787 578 K HN 0.507 nan 8.250 nan 0.000 0.488 579 G N 0.658 109.463 108.800 0.008 0.000 2.422 579 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 579 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 579 G C 1.479 176.285 174.900 -0.158 0.000 1.140 579 G CA 0.264 45.332 45.100 -0.053 0.000 0.775 579 G HN 0.078 nan 8.290 nan 0.000 0.545 580 V N 0.840 120.591 119.914 -0.271 0.000 2.231 580 V HA -0.205 3.915 4.120 0.000 0.000 0.248 580 V C 2.457 178.304 176.094 -0.412 0.000 1.054 580 V CA 1.814 63.835 62.300 -0.465 0.000 1.015 580 V CB -0.764 30.651 31.823 -0.680 0.000 0.638 580 V HN 0.358 nan 8.190 nan 0.000 0.444 581 F N -0.045 119.833 119.950 -0.121 0.000 2.529 581 F HA -0.096 4.431 4.527 0.000 0.000 0.297 581 F C 1.949 177.685 175.800 -0.107 0.000 1.114 581 F CA 0.813 58.753 58.000 -0.100 0.000 1.467 581 F CB -0.996 37.965 39.000 -0.065 0.000 1.096 581 F HN 0.019 nan 8.300 nan 0.000 0.586 582 V N -0.733 119.173 119.914 -0.013 0.000 3.406 582 V HA -0.101 4.019 4.120 0.000 0.000 0.263 582 V C 1.939 177.960 176.094 -0.123 0.000 1.172 582 V CA 0.907 63.166 62.300 -0.069 0.000 1.140 582 V CB -0.328 31.422 31.823 -0.121 0.000 0.784 582 V HN 0.359 nan 8.190 nan 0.000 0.467 583 L N -0.372 120.744 121.223 -0.177 0.000 2.357 583 L HA 0.315 4.655 4.340 0.000 0.000 0.211 583 L C 0.730 177.505 176.870 -0.160 0.000 1.075 583 L CA 0.577 55.286 54.840 -0.218 0.000 0.830 583 L CB 0.338 42.155 42.059 -0.403 0.000 0.996 583 L HN 0.405 nan 8.230 nan 0.000 0.467 584 N N 0.158 118.779 118.700 -0.131 0.000 2.600 584 N HA 0.076 4.816 4.740 0.000 0.000 0.272 584 N C -0.689 174.858 175.510 0.062 0.000 1.095 584 N CA -0.230 52.791 53.050 -0.049 0.000 0.993 584 N CB 1.400 39.843 38.487 -0.075 0.000 1.603 584 N HN 0.082 nan 8.380 nan 0.000 0.526 585 K N 1.270 121.736 120.400 0.109 0.000 2.478 585 K HA 0.329 4.650 4.320 0.000 0.000 0.205 585 K C -0.283 176.396 176.600 0.132 0.000 1.033 585 K CA -0.321 56.084 56.287 0.197 0.000 1.091 585 K CB 0.466 33.034 32.500 0.113 0.000 0.844 585 K HN 0.216 nan 8.250 nan 0.000 0.507 586 K N 1.117 121.581 120.400 0.106 0.000 2.098 586 K HA 0.261 4.582 4.320 0.000 0.000 0.258 586 K C -0.533 176.134 176.600 0.112 0.000 0.973 586 K CA -0.753 55.586 56.287 0.086 0.000 0.898 586 K CB 0.891 33.429 32.500 0.063 0.000 1.057 586 K HN 0.124 nan 8.250 nan 0.000 0.447 587 N N 0.096 118.857 118.700 0.102 0.000 2.901 587 N HA -0.158 4.583 4.740 0.000 0.000 0.248 587 N C -1.095 174.499 175.510 0.140 0.000 1.044 587 N CA 0.715 53.839 53.050 0.123 0.000 0.847 587 N CB -0.687 37.888 38.487 0.147 0.000 1.127 587 N HN 0.486 nan 8.380 nan 0.000 0.562 588 K N 0.297 120.772 120.400 0.125 0.000 2.180 588 K HA 0.278 4.598 4.320 0.000 0.000 0.251 588 K C -0.080 176.573 176.600 0.088 0.000 1.014 588 K CA -0.468 55.892 56.287 0.122 0.000 0.913 588 K CB 0.549 33.100 32.500 0.085 0.000 1.008 588 K HN -0.010 nan 8.250 nan 0.000 0.490 589 L N 1.222 122.491 121.223 0.078 0.000 2.326 589 L HA 0.285 4.625 4.340 0.000 0.000 0.278 589 L C -0.556 176.290 176.870 -0.041 0.000 1.092 589 L CA 0.692 55.551 54.840 0.031 0.000 0.810 589 L CB 1.305 43.388 42.059 0.041 0.000 1.153 589 L HN 0.544 nan 8.230 nan 0.000 0.439 590 T N 3.249 117.753 114.554 -0.083 0.000 2.903 590 T HA 0.208 4.558 4.350 0.000 0.000 0.299 590 T C 0.359 174.935 174.700 -0.206 0.000 1.093 590 T CA -0.213 61.820 62.100 -0.110 0.000 1.002 590 T CB 1.941 70.773 68.868 -0.061 0.000 1.127 590 T HN 0.615 nan 8.240 nan 0.000 0.488 591 Q N 1.025 120.686 119.800 -0.230 0.000 2.230 591 Q HA 0.008 4.348 4.340 0.000 0.000 0.202 591 Q C 1.961 177.744 176.000 -0.361 0.000 0.963 591 Q CA 1.549 57.117 55.803 -0.392 0.000 0.866 591 Q CB -0.149 28.392 28.738 -0.328 0.000 0.931 591 Q HN 0.604 nan 8.270 nan 0.000 0.452 592 S N 0.188 115.819 115.700 -0.116 0.000 2.423 592 S HA -0.070 4.400 4.470 0.000 0.000 0.231 592 S C 1.482 176.088 174.600 0.010 0.000 1.014 592 S CA 0.989 59.211 58.200 0.035 0.000 0.965 592 S CB -0.074 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 0.907 121.276 120.400 -0.052 0.000 2.155 593 K HA 0.091 4.412 4.320 0.000 0.000 0.203 593 K C 1.831 178.422 176.600 -0.016 0.000 1.052 593 K CA 0.913 57.197 56.287 -0.004 0.000 0.948 593 K CB -0.244 32.265 32.500 0.015 0.000 0.728 593 K HN 0.367 nan 8.250 nan 0.000 0.448 594 I N -0.641 119.805 120.570 -0.207 0.000 2.233 594 I HA -0.216 3.954 4.170 0.000 0.000 0.243 594 I C 1.949 177.957 176.117 -0.182 0.000 1.093 594 I CA 1.248 62.363 61.300 -0.309 0.000 1.380 594 I CB -0.341 37.150 38.000 -0.849 0.000 1.067 594 I HN 0.274 nan 8.210 nan 0.000 0.413 595 W N 1.431 122.697 121.300 -0.056 0.000 2.325 595 W HA -0.280 4.380 4.660 0.000 0.000 0.299 595 W C 2.232 178.748 176.519 -0.005 0.000 1.215 595 W CA 0.927 58.258 57.345 -0.025 0.000 1.244 595 W CB -0.382 29.074 29.460 -0.006 0.000 1.140 595 W HN 0.209 nan 8.180 nan 0.000 0.523 596 D N -0.205 120.320 120.400 0.208 0.000 2.178 596 D HA -0.161 4.480 4.640 0.000 0.000 0.202 596 D C 1.934 178.295 176.300 0.102 0.000 0.974 596 D CA 1.137 55.224 54.000 0.144 0.000 0.841 596 D CB -0.060 40.806 40.800 0.110 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 0.064 0.000 2.427 597 V HA -0.164 3.956 4.120 0.000 0.000 0.248 597 V C 2.374 178.436 176.094 -0.052 0.000 1.051 597 V CA 1.127 63.420 62.300 -0.012 0.000 1.048 597 V CB -0.011 31.764 31.823 -0.081 0.000 0.666 597 V HN 0.178 nan 8.190 nan 0.000 0.456 598 V N -0.773 119.131 119.914 -0.017 0.000 2.548 598 V HA -0.125 3.995 4.120 0.000 0.000 0.249 598 V C 2.468 178.667 176.094 0.175 0.000 1.055 598 V CA 1.437 63.808 62.300 0.118 0.000 1.065 598 V CB -0.499 31.484 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 0.138 0.000 2.072 599 E HA -0.144 4.206 4.350 0.000 0.000 0.190 599 E C 2.177 178.821 176.600 0.072 0.000 0.982 599 E CA 0.821 57.267 56.400 0.077 0.000 0.803 599 E CB -0.118 29.634 29.700 0.085 0.000 0.755 599 E HN 0.514 nan 8.360 nan 0.000 0.453 600 K N 0.253 120.710 120.400 0.094 0.000 2.519 600 K HA -0.031 4.290 4.320 0.000 0.000 0.196 600 K C 1.290 177.954 176.600 0.107 0.000 1.041 600 K CA 0.624 56.963 56.287 0.088 0.000 0.954 600 K CB 0.118 32.666 32.500 0.080 0.000 0.774 600 K HN -0.039 nan 8.250 nan 0.000 0.480 601 A N 0.971 123.883 122.820 0.153 0.000 2.460 601 A HA 0.023 4.343 4.320 0.000 0.000 0.258 601 A C -0.196 177.476 177.584 0.146 0.000 1.300 601 A CA -0.321 51.840 52.037 0.207 0.000 0.913 601 A CB 0.033 19.272 19.000 0.398 0.000 1.031 601 A HN 0.075 nan 8.150 nan 0.000 0.512 602 D N 0.359 120.799 120.400 0.066 0.000 2.341 602 D HA 0.248 4.888 4.640 0.000 0.000 0.245 602 D C 1.335 177.637 176.300 0.004 0.000 1.106 602 D CA -0.188 53.810 54.000 -0.002 0.000 0.905 602 D CB 0.735 41.467 40.800 -0.114 0.000 1.202 602 D HN 0.363 nan 8.370 nan 0.000 0.426 603 I N 0.143 120.707 120.570 -0.009 0.000 3.228 603 I HA 0.304 4.475 4.170 0.000 0.000 0.279 603 I C 1.255 177.368 176.117 -0.006 0.000 1.221 603 I CA -0.394 60.906 61.300 0.001 0.000 1.458 603 I CB -0.121 37.878 38.000 -0.000 0.000 1.105 603 I HN 0.202 nan 8.210 nan 0.000 0.445 604 G N 0.554 109.330 108.800 -0.040 0.000 2.370 604 G HA2 0.351 4.311 3.960 0.000 0.000 0.272 604 G HA3 0.351 4.311 3.960 0.000 0.000 0.272 604 G C 0.138 175.024 174.900 -0.024 0.000 1.208 604 G CA -0.352 44.725 45.100 -0.039 0.000 0.856 604 G HN 0.452 nan 8.290 nan 0.000 0.500 605 c N 1.359 119.977 118.600 0.031 0.000 3.336 605 c HA 0.366 4.936 4.570 0.000 0.000 0.291 605 c C 1.181 175.336 174.090 0.109 0.000 1.363 605 c CA -0.204 56.163 56.329 0.064 0.000 1.737 605 c CB -0.881 41.665 42.510 0.060 0.000 2.274 605 c HN 0.635 nan 8.230 nan 0.000 0.663 606 T N 1.660 116.289 114.554 0.124 0.000 2.908 606 T HA 0.319 4.669 4.350 0.000 0.000 0.290 606 T C -1.889 172.963 174.700 0.253 0.000 1.034 606 T CA -0.441 61.750 62.100 0.151 0.000 1.010 606 T CB 2.204 71.138 68.868 0.110 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 0.413 177.843 177.300 0.216 0.000 1.157 607 P CA 0.685 63.944 63.100 0.265 0.000 0.863 607 P CB 0.186 31.905 31.700 0.030 0.000 0.787 608 G N -2.971 105.915 108.800 0.145 0.000 2.698 608 G HA2 0.514 4.474 3.960 0.000 0.000 0.293 608 G HA3 0.514 4.474 3.960 0.000 0.000 0.293 608 G C -0.839 174.137 174.900 0.126 0.000 1.437 608 G CA 0.196 45.369 45.100 0.123 0.000 0.852 608 G HN 0.094 nan 8.290 nan 0.000 0.499 609 S N -2.173 113.581 115.700 0.089 0.000 3.740 609 S HA 0.347 4.817 4.470 0.000 0.000 0.637 609 S C 0.326 175.016 174.600 0.151 0.000 2.126 609 S CA 1.314 59.568 58.200 0.089 0.000 2.309 609 S CB -0.955 62.331 63.200 0.143 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 4.520 3.960 0.000 0.000 0.295 610 G HA3 0.559 4.520 3.960 0.000 0.000 0.295 610 G C 0.111 175.112 174.900 0.167 0.000 1.421 610 G CA 0.314 45.558 45.100 0.240 0.000 0.902 610 G HN 0.937 nan 8.290 nan 0.000 0.501 611 K N -0.757 119.601 120.400 -0.070 0.000 2.097 611 K HA -0.037 4.284 4.320 0.000 0.000 0.206 611 K C 0.267 176.728 176.600 -0.231 0.000 1.049 611 K CA 1.761 57.721 56.287 -0.545 0.000 0.933 611 K CB -0.124 32.151 32.500 -0.375 0.000 0.717 611 K HN 0.519 nan 8.250 nan 0.000 0.442 612 D N -1.177 119.201 120.400 -0.037 0.000 2.636 612 D HA -0.034 4.606 4.640 0.000 0.000 0.275 612 D C 1.075 177.532 176.300 0.261 0.000 1.130 612 D CA -0.763 53.208 54.000 -0.050 0.000 1.031 612 D CB -0.024 40.765 40.800 -0.017 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 0.108 0.000 2.181 613 Y HA -0.135 4.415 4.550 0.000 0.000 0.284 613 Y C 1.819 177.855 175.900 0.226 0.000 1.179 613 Y CA 1.975 60.214 58.100 0.232 0.000 1.179 613 Y CB -0.576 37.914 38.460 0.050 0.000 0.973 613 Y HN 0.346 nan 8.280 nan 0.000 0.519 614 A N 0.582 122.888 122.820 -0.856 0.000 2.208 614 A HA 0.269 4.589 4.320 0.000 0.000 0.209 614 A C 2.181 179.657 177.584 -0.179 0.000 1.161 614 A CA 0.704 52.252 52.037 -0.815 0.000 0.782 614 A CB -1.063 17.407 19.000 -0.883 0.000 0.816 614 A HN 0.659 nan 8.150 nan 0.000 0.477 615 G N -0.652 108.129 108.800 -0.032 0.000 2.471 615 G HA2 0.038 3.998 3.960 0.000 0.000 0.211 615 G HA3 0.038 3.998 3.960 0.000 0.000 0.211 615 G C 1.404 176.365 174.900 0.102 0.000 1.194 615 G CA 0.861 45.998 45.100 0.062 0.000 0.816 615 G HN 0.159 nan 8.290 nan 0.000 0.545 616 V N 0.637 120.619 119.914 0.113 0.000 2.311 616 V HA -0.299 3.821 4.120 0.000 0.000 0.259 616 V C 2.552 178.603 176.094 -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 31.258 31.823 -0.042 0.000 0.668 616 V HN 0.368 nan 8.190 nan 0.000 0.452 617 F N -0.676 119.246 119.950 -0.047 0.000 2.234 617 F HA -0.080 4.448 4.527 0.000 0.000 0.296 617 F C 2.658 178.455 175.800 -0.006 0.000 1.089 617 F CA 1.674 59.652 58.000 -0.036 0.000 1.343 617 F CB -0.347 38.602 39.000 -0.086 0.000 1.040 617 F HN 0.104 nan 8.300 nan 0.000 0.498 618 S N -0.817 114.975 115.700 0.153 0.000 2.501 618 S HA -0.079 4.391 4.470 0.000 0.000 0.220 618 S C 1.596 176.243 174.600 0.078 0.000 0.997 618 S CA 0.714 58.975 58.200 0.102 0.000 0.919 618 S CB -0.293 62.953 63.200 0.076 0.000 0.778 618 S HN 0.179 nan 8.310 nan 0.000 0.523 619 D N 2.144 122.590 120.400 0.076 0.000 2.085 619 D HA 0.177 4.818 4.640 0.000 0.000 0.199 619 D C 1.155 177.481 176.300 0.043 0.000 0.981 619 D CA 1.106 55.148 54.000 0.071 0.000 0.834 619 D CB -0.682 40.176 40.800 0.097 0.000 0.992 619 D HN 0.481 nan 8.370 nan 0.000 0.457 620 A N 0.217 123.047 122.820 0.017 0.000 2.406 620 A HA 0.452 4.772 4.320 0.000 0.000 0.243 620 A C 1.038 178.632 177.584 0.016 0.000 1.082 620 A CA 0.339 52.373 52.037 -0.006 0.000 0.786 620 A CB 0.067 19.047 19.000 -0.034 0.000 1.029 620 A HN 0.184 nan 8.150 nan 0.000 0.495 621 G N 0.406 109.212 108.800 0.009 0.000 2.852 621 G HA2 0.469 4.430 3.960 0.000 0.000 0.280 621 G HA3 0.469 4.430 3.960 0.000 0.000 0.280 621 G C -0.376 174.557 174.900 0.056 0.000 0.731 621 G CA 0.064 45.180 45.100 0.027 0.000 2.037 621 G HN 0.504 nan 8.290 nan 0.000 0.560 622 L N 0.710 121.988 121.223 0.092 0.000 2.469 622 L HA 0.624 4.964 4.340 0.000 0.000 0.256 622 L C -0.184 176.806 176.870 0.199 0.000 1.006 622 L CA -1.013 53.921 54.840 0.157 0.000 0.832 622 L CB 2.961 45.139 42.059 0.199 0.000 1.421 622 L HN 0.366 nan 8.230 nan 0.000 0.410 623 T N -1.444 113.229 114.554 0.198 0.000 2.893 623 T HA 0.620 4.971 4.350 0.000 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 0.074 0.000 1.043 623 T HN 0.355 nan 8.240 nan 0.000 0.461 624 F N 1.850 121.685 119.950 -0.191 0.000 2.500 624 F HA 0.567 5.094 4.527 0.000 0.000 0.349 624 F C -0.724 174.954 175.800 -0.203 0.000 1.127 624 F CA -0.246 57.534 58.000 -0.367 0.000 0.998 624 F CB 1.553 39.903 39.000 -1.083 0.000 1.237 624 F HN 0.711 nan 8.300 nan 0.000 0.439 625 T N 4.264 118.595 114.554 -0.371 0.000 2.809 625 T HA 0.467 4.817 4.350 0.000 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 1.298 70.123 68.868 -0.072 0.000 0.942 625 T HN 0.596 nan 8.240 nan 0.000 0.439 626 S N 1.472 117.107 115.700 -0.108 0.000 2.607 626 S HA 0.503 4.973 4.470 0.000 0.000 0.303 626 S C 1.601 176.243 174.600 0.071 0.000 1.086 626 S CA -0.329 57.854 58.200 -0.028 0.000 0.995 626 S CB 1.573 64.865 63.200 0.153 0.000 1.084 626 S HN 0.614 nan 8.310 nan 0.000 0.507 627 S N 2.250 118.012 115.700 0.104 0.000 2.368 627 S HA -0.180 4.290 4.470 0.000 0.000 0.226 627 S C 1.660 176.316 174.600 0.094 0.000 1.044 627 S CA 1.752 60.030 58.200 0.130 0.000 1.062 627 S CB -1.516 61.803 63.200 0.198 0.000 0.931 627 S HN 0.766 nan 8.310 nan 0.000 0.440 628 S N 1.024 116.773 115.700 0.082 0.000 2.584 628 S HA 0.315 4.785 4.470 0.000 0.000 0.240 628 S C 1.570 176.208 174.600 0.064 0.000 0.975 628 S CA 0.650 58.886 58.200 0.061 0.000 0.949 628 S CB -0.777 62.451 63.200 0.046 0.000 0.761 628 S HN 1.180 nan 8.310 nan 0.000 0.536 629 G N 0.896 109.745 108.800 0.081 0.000 2.179 629 G HA2 -0.271 3.690 3.960 0.000 0.000 0.260 629 G HA3 -0.271 3.690 3.960 0.000 0.000 0.260 629 G C -0.028 174.934 174.900 0.104 0.000 0.977 629 G CA -0.194 44.952 45.100 0.076 0.000 0.641 629 G HN 0.521 nan 8.290 nan 0.000 0.533 630 Q N 1.617 121.507 119.800 0.150 0.000 2.815 630 Q HA 0.422 4.762 4.340 0.000 0.000 0.235 630 Q C 1.009 177.204 176.000 0.324 0.000 1.354 630 Q CA 0.333 56.274 55.803 0.231 0.000 0.953 630 Q CB 0.030 28.882 28.738 0.190 0.000 1.613 630 Q HN 0.848 nan 8.270 nan 0.000 0.572 631 Q N -0.589 119.332 119.800 0.202 0.000 2.199 631 Q HA 0.622 4.962 4.340 0.000 0.000 0.205 631 Q C -0.097 175.938 176.000 0.058 0.000 1.001 631 Q CA -0.974 54.914 55.803 0.142 0.000 1.019 631 Q CB 0.526 29.302 28.738 0.064 0.000 1.132 631 Q HN 0.344 nan 8.270 nan 0.000 0.530 632 T N -2.921 111.629 114.554 -0.006 0.000 2.928 632 T HA 0.624 4.974 4.350 0.000 0.000 0.284 632 T C 0.140 174.826 174.700 -0.023 0.000 1.008 632 T CA -0.659 61.399 62.100 -0.069 0.000 1.057 632 T CB 1.190 70.030 68.868 -0.047 0.000 1.018 632 T HN 0.727 nan 8.240 nan 0.000 0.493 633 A N 3.161 125.966 122.820 -0.025 0.000 2.550 633 A HA 0.091 4.411 4.320 0.000 0.000 0.263 633 A C 0.919 178.505 177.584 0.004 0.000 1.065 633 A CA -0.105 51.930 52.037 -0.003 0.000 0.786 633 A CB -0.440 18.564 19.000 0.007 0.000 0.985 633 A HN 0.796 nan 8.150 nan 0.000 0.518 634 Q N 1.496 121.291 119.800 -0.009 0.000 2.349 634 Q HA 0.026 4.367 4.340 0.000 0.000 0.287 634 Q C 0.136 176.145 176.000 0.015 0.000 1.044 634 Q CA 0.496 56.290 55.803 -0.016 0.000 0.918 634 Q CB 0.357 29.050 28.738 -0.075 0.000 1.242 634 Q HN 0.752 nan 8.270 nan 0.000 0.405 635 R N 2.193 122.720 120.500 0.046 0.000 2.255 635 R HA 0.477 4.817 4.340 0.000 0.000 0.326 635 R C -0.626 175.766 176.300 0.153 0.000 0.986 635 R CA 0.253 56.402 56.100 0.080 0.000 0.847 635 R CB 0.573 30.917 30.300 0.074 0.000 1.111 635 R HN 0.620 nan 8.270 nan 0.000 0.452 636 A N 4.016 126.926 122.820 0.151 0.000 2.605 636 A HA 0.168 4.489 4.320 0.000 0.000 0.292 636 A C -0.540 177.114 177.584 0.115 0.000 1.055 636 A CA -0.330 51.850 52.037 0.238 0.000 0.969 636 A CB 0.530 19.710 19.000 0.301 0.000 1.236 636 A HN 0.635 nan 8.150 nan 0.000 0.534 637 E N -0.101 120.141 120.200 0.070 0.000 2.176 637 E HA 0.631 4.981 4.350 0.000 0.000 0.267 637 E C 0.594 177.206 176.600 0.019 0.000 0.893 637 E CA -0.521 55.902 56.400 0.039 0.000 0.761 637 E CB 1.081 30.806 29.700 0.042 0.000 1.133 637 E HN 0.225 nan 8.360 nan 0.000 0.409 638 L N 2.010 123.232 121.223 -0.001 0.000 2.005 638 L HA -0.066 4.274 4.340 0.000 0.000 0.207 638 L C 0.831 177.707 176.870 0.009 0.000 1.072 638 L CA 1.034 55.869 54.840 -0.009 0.000 0.744 638 L CB -0.320 41.726 42.059 -0.022 0.000 0.895 638 L HN 0.508 nan 8.230 nan 0.000 0.433 639 Q N -1.163 118.646 119.800 0.015 0.000 2.317 639 Q HA 0.224 4.564 4.340 0.000 0.000 0.229 639 Q C -0.155 175.864 176.000 0.030 0.000 0.984 639 Q CA -0.455 55.363 55.803 0.024 0.000 0.911 639 Q CB 1.094 29.846 28.738 0.023 0.000 1.217 639 Q HN 0.196 nan 8.270 nan 0.000 0.501 640 c N 1.898 120.519 118.600 0.036 0.000 2.705 640 c HA 0.169 4.740 4.570 0.000 0.000 0.348 640 c C -1.824 172.291 174.090 0.042 0.000 1.386 640 c CA -0.835 55.519 56.329 0.041 0.000 2.361 640 c CB -0.874 41.663 42.510 0.046 0.000 2.486 640 c HN 0.653 nan 8.230 nan 0.000 0.728 641 P HA 0.049 nan 4.420 nan 0.000 0.257 641 P C -0.566 176.760 177.300 0.042 0.000 1.189 641 P CA 0.620 63.747 63.100 0.045 0.000 0.780 641 P CB -0.048 31.683 31.700 0.051 0.000 0.772 642 Q N 4.722 124.545 119.800 0.037 0.000 2.618 642 Q HA -0.081 4.259 4.340 0.000 0.000 0.344 642 Q C -1.628 174.394 176.000 0.038 0.000 1.073 642 Q CA -0.822 55.001 55.803 0.034 0.000 1.105 642 Q CB -0.637 28.119 28.738 0.030 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 -0.588 176.737 177.300 0.042 0.000 1.173 643 P CA 0.530 63.656 63.100 0.043 0.000 0.768 643 P CB 0.494 32.220 31.700 0.043 0.000 0.758 644 A N 3.313 126.159 122.820 0.044 0.000 2.545 644 A HA 0.618 4.938 4.320 0.000 0.000 0.277 644 A C 0.683 178.295 177.584 0.046 0.000 1.301 644 A CA 0.456 52.518 52.037 0.042 0.000 0.935 644 A CB -0.734 18.291 19.000 0.042 0.000 1.093 644 A HN 0.758 nan 8.150 nan 0.000 0.519 645 A N 0.000 122.851 122.820 0.051 0.000 2.254 645 A HA 0.000 4.320 4.320 0.000 0.000 0.244 645 A CA 0.000 52.072 52.037 0.059 0.000 0.836 645 A CB 0.000 19.033 19.000 0.055 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486