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_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREXXXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.552 174.600 -0.079 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 P HA 0.330 nan 4.420 nan 0.000 0.269 2 P C -0.675 176.411 177.300 -0.356 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 2.977 122.295 119.600 -0.469 0.000 2.326 3 M HA 0.356 4.836 4.480 0.001 0.000 0.292 3 M C -1.914 174.060 176.300 -0.543 0.000 1.081 3 M CA -0.708 54.371 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 1.871 122.029 120.300 -0.237 0.000 2.352 4 Y HA 0.564 5.115 4.550 0.001 0.000 0.339 4 Y C 0.281 176.020 175.900 -0.268 0.000 0.992 4 Y CA -0.581 57.174 58.100 -0.574 0.000 1.100 4 Y CB 1.809 39.397 38.460 -1.453 0.000 1.192 4 Y HN 0.628 nan 8.280 nan 0.000 0.458 5 S N 2.854 118.527 115.700 -0.045 0.000 2.503 5 S HA 0.754 5.224 4.470 0.001 0.000 0.301 5 S C -1.274 173.281 174.600 -0.075 0.000 1.087 5 S CA -0.668 57.442 58.200 -0.150 0.000 1.042 5 S CB 1.839 64.954 63.200 -0.142 0.000 1.043 5 S HN 0.467 nan 8.310 nan 0.000 0.489 6 I N 2.480 122.916 120.570 -0.225 0.000 2.406 6 I HA 0.564 4.734 4.170 0.001 0.000 0.290 6 I C -1.051 174.959 176.117 -0.179 0.000 0.999 6 I CA -1.727 59.526 61.300 -0.079 0.000 1.124 6 I CB 1.265 39.269 38.000 0.006 0.000 1.289 6 I HN 0.777 nan 8.210 nan 0.000 0.441 7 I N 6.797 127.352 120.570 -0.026 0.000 2.439 7 I HA 0.437 4.608 4.170 0.001 0.000 0.285 7 I C -0.325 175.853 176.117 0.102 0.000 1.021 7 I CA -0.438 60.896 61.300 0.057 0.000 1.091 7 I CB 1.858 39.957 38.000 0.164 0.000 1.242 7 I HN 0.567 nan 8.210 nan 0.000 0.439 8 T N 2.877 117.495 114.554 0.107 0.000 2.887 8 T HA 0.606 4.957 4.350 0.001 0.000 0.292 8 T C -2.995 171.767 174.700 0.103 0.000 1.087 8 T CA -2.554 59.611 62.100 0.109 0.000 1.009 8 T CB 2.086 71.023 68.868 0.116 0.000 1.203 8 T HN 0.080 nan 8.240 nan 0.000 0.518 9 P HA 0.252 nan 4.420 nan 0.000 0.268 9 P C 0.619 177.957 177.300 0.063 0.000 1.205 9 P CA -0.207 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 1.607 120.341 118.700 0.057 0.000 2.258 10 N HA -0.094 4.647 4.740 0.001 0.000 0.187 10 N C 0.263 175.802 175.510 0.048 0.000 1.012 10 N CA 1.330 54.414 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 0.001 0.000 0.287 11 I C -0.559 175.551 176.117 -0.012 0.000 1.184 11 I CA -0.522 60.782 61.300 0.006 0.000 1.054 11 I CB 1.941 39.930 38.000 -0.018 0.000 1.257 11 I HN -0.219 nan 8.210 nan 0.000 0.435 12 L N 5.550 126.779 121.223 0.009 0.000 2.567 12 L HA 0.591 4.932 4.340 0.001 0.000 0.238 12 L C 0.018 176.864 176.870 -0.040 0.000 1.168 12 L CA -0.733 54.116 54.840 0.016 0.000 0.817 12 L CB 0.568 42.691 42.059 0.107 0.000 1.409 12 L HN 0.515 nan 8.230 nan 0.000 0.502 13 R N -0.253 120.224 120.500 -0.039 0.000 2.698 13 R HA 0.572 4.913 4.340 0.001 0.000 0.275 13 R C -1.525 174.763 176.300 -0.021 0.000 1.001 13 R CA -0.826 55.229 56.100 -0.075 0.000 0.896 13 R CB 1.766 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 2.115 123.329 121.223 -0.016 0.000 2.417 14 L HA 0.248 4.588 4.340 0.001 0.000 0.268 14 L C 0.408 177.270 176.870 -0.014 0.000 1.158 14 L CA -0.049 54.791 54.840 -0.000 0.000 0.819 14 L CB 0.433 42.490 42.059 -0.003 0.000 1.112 14 L HN 0.777 nan 8.230 nan 0.000 0.458 15 E N -0.373 119.823 120.200 -0.006 0.000 2.883 15 E HA -0.224 4.126 4.350 0.001 0.000 0.271 15 E C -0.297 176.285 176.600 -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 0.001 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 65.472 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 4.638 4.350 0.001 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 1.200 121.067 120.200 -0.554 0.000 2.355 18 E HA 0.499 4.850 4.350 0.001 0.000 0.261 18 E C -0.768 175.440 176.600 -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 4.958 4.350 0.001 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 1.099 120.732 119.600 0.054 0.000 2.484 20 M HA 0.778 5.258 4.480 0.001 0.000 0.289 20 M C -1.845 174.511 176.300 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 4.120 124.096 119.914 0.102 0.000 2.406 21 V HA 0.409 4.529 4.120 0.001 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 0.776 nan 8.190 nan 0.000 0.466 22 L N 5.097 126.407 121.223 0.145 0.000 2.289 22 L HA 0.661 5.001 4.340 0.001 0.000 0.285 22 L C 0.116 177.105 176.870 0.198 0.000 1.049 22 L CA -0.150 54.826 54.840 0.227 0.000 0.804 22 L CB 1.038 43.222 42.059 0.209 0.000 1.195 22 L HN 0.636 nan 8.230 nan 0.000 0.428 23 E N 1.902 122.209 120.200 0.178 0.000 2.314 23 E HA 0.664 5.015 4.350 0.001 0.000 0.272 23 E C -1.227 175.243 176.600 -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 32.236 29.700 -0.123 0.000 1.213 23 E HN 0.637 nan 8.360 nan 0.000 0.432 24 A N 3.257 125.931 122.820 -0.244 0.000 2.293 24 A HA 0.379 4.700 4.320 0.001 0.000 0.312 24 A C -1.034 176.293 177.584 -0.428 0.000 1.309 24 A CA -0.677 51.139 52.037 -0.369 0.000 0.839 24 A CB 0.308 19.167 19.000 -0.236 0.000 1.155 24 A HN 0.542 nan 8.150 nan 0.000 0.501 25 H N 2.208 121.144 119.070 -0.224 0.000 2.652 25 H HA 0.235 4.791 4.556 0.001 0.000 0.298 25 H C -0.546 174.685 175.328 -0.161 0.000 1.076 25 H CA 0.326 56.333 56.048 -0.068 0.000 1.360 25 H CB 1.075 30.845 29.762 0.014 0.000 1.421 25 H HN 0.832 nan 8.280 nan 0.000 0.464 26 D N 0.485 120.902 120.400 0.029 0.000 3.091 26 D HA -0.134 4.507 4.640 0.001 0.000 0.216 26 D C 0.120 176.351 176.300 -0.115 0.000 1.129 26 D CA 1.011 55.001 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 -0.355 122.314 122.820 -0.252 0.000 2.299 27 A HA 0.729 5.049 4.320 0.001 0.000 0.332 27 A C 0.160 177.628 177.584 -0.194 0.000 1.131 27 A CA -0.519 51.373 52.037 -0.241 0.000 0.844 27 A CB 1.438 20.261 19.000 -0.296 0.000 1.251 27 A HN -0.051 nan 8.150 nan 0.000 0.486 28 Q N -0.019 119.737 119.800 -0.074 0.000 2.306 28 Q HA 0.546 4.887 4.340 0.001 0.000 0.265 28 Q C 0.440 176.468 176.000 0.045 0.000 1.022 28 Q CA 0.392 56.202 55.803 0.012 0.000 0.853 28 Q CB 1.630 30.381 28.738 0.021 0.000 1.327 28 Q HN 1.806 nan 8.270 nan 0.000 0.449 29 G N 2.449 111.306 108.800 0.095 0.000 2.907 29 G HA2 -0.232 3.728 3.960 0.001 0.000 0.242 29 G HA3 -0.232 3.728 3.960 0.001 0.000 0.242 29 G C -0.962 174.006 174.900 0.114 0.000 1.448 29 G CA -0.498 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 -0.808 119.648 120.400 0.094 0.000 2.455 30 D HA 0.397 5.038 4.640 0.001 0.000 0.241 30 D C 0.443 176.800 176.300 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 42.187 40.800 0.068 0.000 1.187 30 D HN 0.500 nan 8.370 nan 0.000 0.451 31 V N 4.228 124.213 119.914 0.119 0.000 2.409 31 V HA 0.326 4.447 4.120 0.001 0.000 0.290 31 V C -2.336 173.825 176.094 0.112 0.000 1.017 31 V CA -1.631 60.744 62.300 0.125 0.000 0.841 31 V CB 1.845 33.778 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 -1.036 176.263 177.300 -0.001 0.000 1.259 32 P CA -0.297 62.822 63.100 0.032 0.000 0.794 32 P CB 1.435 33.144 31.700 0.013 0.000 0.940 33 V N 2.127 122.016 119.914 -0.042 0.000 2.709 33 V HA 0.616 4.737 4.120 0.001 0.000 0.308 33 V C 0.047 176.045 176.094 -0.161 0.000 1.062 33 V CA -0.597 61.606 62.300 -0.162 0.000 0.901 33 V CB 2.168 33.841 31.823 -0.250 0.000 1.003 33 V HN 0.668 nan 8.190 nan 0.000 0.425 34 T N 1.157 115.590 114.554 -0.201 0.000 2.829 34 T HA 0.836 5.186 4.350 0.001 0.000 0.280 34 T C -0.913 173.672 174.700 -0.193 0.000 0.999 34 T CA -0.668 61.340 62.100 -0.153 0.000 0.983 34 T CB 1.678 70.480 68.868 -0.111 0.000 0.968 34 T HN 0.393 nan 8.240 nan 0.000 0.446 35 V N 3.089 122.908 119.914 -0.158 0.000 2.656 35 V HA 0.743 4.863 4.120 0.001 0.000 0.307 35 V C -0.133 175.853 176.094 -0.180 0.000 1.051 35 V CA -0.620 61.576 62.300 -0.175 0.000 0.893 35 V CB 2.199 33.928 31.823 -0.158 0.000 0.999 35 V HN 1.186 nan 8.190 nan 0.000 0.426 36 T N 3.309 117.739 114.554 -0.207 0.000 2.952 36 T HA 0.609 4.960 4.350 0.001 0.000 0.305 36 T C -0.781 173.691 174.700 -0.379 0.000 1.064 36 T CA -0.469 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 3.821 123.437 119.914 -0.497 0.000 2.513 37 V HA 0.576 4.696 4.120 0.001 0.000 0.299 37 V C -0.447 175.322 176.094 -0.542 0.000 1.035 37 V CA -0.883 61.163 62.300 -0.424 0.000 0.889 37 V CB 1.426 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 2.211 121.254 119.070 -0.044 0.000 2.690 38 H HA 0.344 4.900 4.556 0.001 0.000 0.368 38 H C -0.719 174.636 175.328 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 4.606 4.640 0.001 0.000 0.236 39 D C -0.604 175.831 176.300 0.225 0.000 1.221 39 D CA 0.212 54.306 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 0.545 120.543 119.950 0.081 0.000 2.529 40 F HA 0.481 5.009 4.527 0.001 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 1.746 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 -0.885 0.000 0.824 41 P CB 1.514 32.539 31.700 -1.124 0.000 1.180 42 G N -0.247 108.408 108.800 -0.242 0.000 2.456 42 G HA2 0.000 3.961 3.960 0.001 0.000 0.204 42 G HA3 0.000 3.961 3.960 0.001 0.000 0.204 42 G C -1.395 173.441 174.900 -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 -0.089 120.274 120.400 -0.062 0.000 2.589 43 K HA 0.522 4.842 4.320 0.001 0.000 0.253 43 K C -0.164 176.463 176.600 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 34.604 32.500 -0.117 0.000 1.272 43 K HN 0.463 nan 8.250 nan 0.000 0.444 44 K N 2.115 122.595 120.400 0.133 0.000 2.491 44 K HA 0.184 4.505 4.320 0.001 0.000 0.211 44 K C -0.038 176.625 176.600 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 1.110 122.471 121.223 0.229 0.000 3.660 45 L HA -0.202 4.139 4.340 0.001 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 -1.251 40.861 42.059 0.090 0.000 1.689 45 L HN 0.113 nan 8.230 nan 0.000 0.890 46 V N -1.972 117.867 119.914 -0.126 0.000 2.720 46 V HA 0.027 4.148 4.120 0.001 0.000 0.256 46 V C 1.094 177.116 176.094 -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 31.355 31.823 -0.064 0.000 0.693 46 V HN 0.540 nan 8.190 nan 0.000 0.479 47 L N 0.318 121.418 121.223 -0.204 0.000 2.849 47 L HA 0.420 4.761 4.340 0.001 0.000 0.256 47 L C 0.317 177.050 176.870 -0.227 0.000 0.951 47 L CA 0.567 55.297 54.840 -0.183 0.000 1.003 47 L CB 1.851 43.797 42.059 -0.188 0.000 1.408 47 L HN 0.175 nan 8.230 nan 0.000 0.463 48 S N -1.050 114.558 115.700 -0.154 0.000 2.628 48 S HA -0.027 4.444 4.470 0.001 0.000 0.246 48 S C 1.607 176.155 174.600 -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 2.210 117.874 115.700 -0.060 0.000 2.407 49 S HA -0.153 4.317 4.470 0.001 0.000 0.235 49 S C 0.611 175.193 174.600 -0.029 0.000 1.036 49 S CA 0.928 59.108 58.200 -0.034 0.000 1.013 49 S CB -0.757 62.433 63.200 -0.018 0.000 0.820 49 S HN 0.556 nan 8.310 nan 0.000 0.476 50 E N 1.887 122.069 120.200 -0.031 0.000 2.316 50 E HA 0.508 4.859 4.350 0.001 0.000 0.275 50 E C -0.568 176.011 176.600 -0.036 0.000 1.029 50 E CA 0.067 56.457 56.400 -0.017 0.000 0.871 50 E CB 1.031 30.738 29.700 0.011 0.000 1.022 50 E HN 0.432 nan 8.360 nan 0.000 0.418 51 K N 0.770 121.155 120.400 -0.026 0.000 2.469 51 K HA 0.560 4.881 4.320 0.001 0.000 0.254 51 K C -0.777 175.811 176.600 -0.020 0.000 0.939 51 K CA -0.494 55.773 56.287 -0.034 0.000 0.812 51 K CB 2.373 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 0.378 114.919 114.554 -0.022 0.000 2.786 52 T HA 0.492 4.843 4.350 0.001 0.000 0.316 52 T C -1.925 172.781 174.700 0.012 0.000 1.503 52 T CA -0.570 61.529 62.100 -0.001 0.000 1.019 52 T CB 1.310 70.182 68.868 0.007 0.000 1.415 52 T HN 0.179 nan 8.240 nan 0.000 0.496 53 V N 3.304 123.237 119.914 0.032 0.000 2.656 53 V HA 0.544 4.664 4.120 0.001 0.000 0.307 53 V C -0.407 175.734 176.094 0.079 0.000 1.051 53 V CA -0.931 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 3.695 124.993 121.223 0.124 0.000 2.315 54 L HA 0.354 4.695 4.340 0.001 0.000 0.278 54 L C 0.482 177.456 176.870 0.173 0.000 1.088 54 L CA -0.051 54.882 54.840 0.154 0.000 0.899 54 L CB 0.467 42.659 42.059 0.221 0.000 1.277 54 L HN 0.677 nan 8.230 nan 0.000 0.431 55 T N 2.935 117.537 114.554 0.081 0.000 2.918 55 T HA 0.090 4.441 4.350 0.001 0.000 0.302 55 T C -1.502 173.168 174.700 -0.050 0.000 1.045 55 T CA -0.932 61.195 62.100 0.045 0.000 1.114 55 T CB 1.174 70.047 68.868 0.007 0.000 0.965 55 T HN 0.302 nan 8.240 nan 0.000 0.540 56 P HA -0.051 nan 4.420 nan 0.000 0.223 56 P C 1.226 178.403 177.300 -0.205 0.000 1.144 56 P CA 0.558 63.527 63.100 -0.219 0.000 0.783 56 P CB 0.003 31.692 31.700 -0.018 0.000 0.771 57 A N -0.044 122.707 122.820 -0.115 0.000 1.845 57 A HA -0.155 4.166 4.320 0.001 0.000 0.215 57 A C 1.885 179.396 177.584 -0.121 0.000 1.195 57 A CA 2.422 54.405 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 -3.047 111.432 114.554 -0.125 0.000 3.327 58 T HA 0.272 4.623 4.350 0.001 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 -1.009 67.820 68.868 -0.065 0.000 1.112 58 T HN 0.409 nan 8.240 nan 0.000 0.589 59 N N 3.055 121.563 118.700 -0.321 0.000 2.686 59 N HA -0.239 4.502 4.740 0.001 0.000 0.249 59 N C -0.303 174.967 175.510 -0.400 0.000 1.082 59 N CA 1.299 54.073 53.050 -0.459 0.000 0.725 59 N CB -1.783 36.500 38.487 -0.340 0.000 1.009 59 N HN 0.813 nan 8.380 nan 0.000 0.545 60 H N -3.898 115.120 119.070 -0.086 0.000 2.826 60 H HA -0.205 4.352 4.556 0.001 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 -1.741 27.966 29.762 -0.091 0.000 1.409 60 H HN 0.484 nan 8.280 nan 0.000 0.420 61 M N 0.716 120.325 119.600 0.014 0.000 2.181 61 M HA 0.460 4.941 4.480 0.001 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 34.748 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 0.435 4.396 3.960 0.001 0.000 0.330 62 G HA3 0.435 4.396 3.960 0.001 0.000 0.330 62 G C -0.827 174.106 174.900 0.056 0.000 1.142 62 G CA -0.533 44.612 45.100 0.074 0.000 0.902 62 G HN 0.697 nan 8.290 nan 0.000 0.491 63 N N 0.271 118.995 118.700 0.040 0.000 2.417 63 N HA 0.377 5.117 4.740 0.001 0.000 0.274 63 N C -1.186 174.345 175.510 0.035 0.000 0.987 63 N CA -0.271 52.797 53.050 0.030 0.000 0.912 63 N CB 2.437 40.932 38.487 0.014 0.000 1.177 63 N HN 0.117 nan 8.380 nan 0.000 0.490 64 V N 2.477 122.417 119.914 0.044 0.000 2.357 64 V HA 0.382 4.503 4.120 0.001 0.000 0.284 64 V C -0.119 175.995 176.094 0.032 0.000 1.018 64 V CA -0.440 61.907 62.300 0.079 0.000 0.841 64 V CB 1.430 33.339 31.823 0.144 0.000 0.991 64 V HN 0.722 nan 8.190 nan 0.000 0.437 65 T N 3.322 117.900 114.554 0.041 0.000 2.840 65 T HA 0.824 5.174 4.350 0.001 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 1.218 70.066 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 0.001 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 1.289 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 3.571 118.292 114.554 0.278 0.000 2.930 67 T HA 0.496 4.846 4.350 0.001 0.000 0.313 67 T C -0.389 174.418 174.700 0.178 0.000 1.019 67 T CA -0.295 61.901 62.100 0.159 0.000 1.004 67 T CB 0.736 69.634 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 0.198 4.369 4.170 0.001 0.000 0.289 68 I C -1.839 174.309 176.117 0.053 0.000 1.083 68 I CA -1.911 59.454 61.300 0.108 0.000 1.372 68 I CB 0.531 38.599 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 0.423 123.247 122.820 0.006 0.000 3.165 70 A HA 0.300 4.620 4.320 0.001 0.000 0.331 70 A C -0.086 177.503 177.584 0.008 0.000 1.034 70 A CA -0.373 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 0.763 119.469 118.700 0.010 0.000 2.354 71 N HA 0.120 4.861 4.740 0.001 0.000 0.246 71 N C 0.200 175.717 175.510 0.012 0.000 1.285 71 N CA -0.063 52.993 53.050 0.010 0.000 0.925 71 N CB 0.363 38.856 38.487 0.010 0.000 1.174 71 N HN 0.467 nan 8.380 nan 0.000 0.478 72 R N 1.766 122.272 120.500 0.011 0.000 2.543 72 R HA -0.068 4.273 4.340 0.001 0.000 0.348 72 R C 0.537 176.844 176.300 0.013 0.000 0.981 72 R CA 0.185 56.291 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 1.088 109.879 108.800 -0.015 0.000 2.234 79 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 79 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 79 G C -0.271 174.623 174.900 -0.009 0.000 0.987 79 G CA 0.821 45.913 45.100 -0.014 0.000 0.625 79 G HN 0.337 nan 8.290 nan 0.000 0.532 80 R N 0.786 121.283 120.500 -0.005 0.000 2.360 80 R HA 0.341 4.681 4.340 0.001 0.000 0.318 80 R C -0.473 175.813 176.300 -0.024 0.000 0.950 80 R CA -0.957 55.146 56.100 0.006 0.000 0.837 80 R CB 0.625 30.945 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 -0.085 4.656 4.740 0.001 0.000 0.263 81 N C -0.386 174.962 175.510 -0.269 0.000 1.269 81 N CA 0.855 53.777 53.050 -0.212 0.000 0.831 81 N CB 0.457 38.749 38.487 -0.326 0.000 1.059 81 N HN 0.324 nan 8.380 nan 0.000 0.475 82 K N 1.468 121.708 120.400 -0.267 0.000 2.118 82 K HA 0.452 4.773 4.320 0.001 0.000 0.264 82 K C -0.342 176.033 176.600 -0.376 0.000 1.000 82 K CA -0.173 56.020 56.287 -0.158 0.000 0.929 82 K CB 0.825 33.294 32.500 -0.052 0.000 1.021 82 K HN 0.317 nan 8.250 nan 0.000 0.463 83 F N -0.325 119.660 119.950 0.057 0.000 2.740 83 F HA 0.622 5.150 4.527 0.001 0.000 0.357 83 F C -0.224 175.593 175.800 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 40.331 39.000 -0.179 0.000 1.430 83 F HN 0.113 nan 8.300 nan 0.000 0.518 84 V N -0.346 119.706 119.914 0.230 0.000 3.159 84 V HA 0.664 4.785 4.120 0.001 0.000 0.308 84 V C -1.319 174.819 176.094 0.072 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 2.152 116.754 114.554 0.079 0.000 2.912 85 T HA 0.571 4.922 4.350 0.001 0.000 0.326 85 T C -1.038 173.669 174.700 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 69.781 68.868 0.184 0.000 1.008 85 T HN 0.485 nan 8.240 nan 0.000 0.473 86 V N 5.581 125.473 119.914 -0.036 0.000 2.432 86 V HA 0.393 4.513 4.120 0.001 0.000 0.271 86 V C 0.232 176.294 176.094 -0.053 0.000 1.046 86 V CA -0.322 61.925 62.300 -0.089 0.000 0.945 86 V CB 1.222 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 3.746 123.507 119.800 -0.064 0.000 2.381 87 Q HA 0.679 5.020 4.340 0.001 0.000 0.263 87 Q C -0.584 175.345 176.000 -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 30.370 28.738 0.037 0.000 1.232 87 Q HN 0.863 nan 8.270 nan 0.000 0.476 88 A N 2.924 125.649 122.820 -0.159 0.000 2.287 88 A HA 0.585 4.906 4.320 0.001 0.000 0.317 88 A C -0.578 176.738 177.584 -0.447 0.000 1.220 88 A CA -0.486 51.350 52.037 -0.335 0.000 0.835 88 A CB 1.077 19.840 19.000 -0.394 0.000 1.180 88 A HN 0.591 nan 8.150 nan 0.000 0.500 89 T N 3.272 117.554 114.554 -0.455 0.000 2.874 89 T HA 0.447 4.798 4.350 0.001 0.000 0.321 89 T C -0.648 173.789 174.700 -0.437 0.000 1.075 89 T CA 0.064 61.958 62.100 -0.342 0.000 0.966 89 T CB -0.477 68.286 68.868 -0.174 0.000 1.001 89 T HN 0.360 nan 8.240 nan 0.000 0.476 90 F N 2.666 122.439 119.950 -0.295 0.000 2.444 90 F HA 0.487 5.015 4.527 0.001 0.000 0.360 90 F C 1.657 177.269 175.800 -0.314 0.000 1.106 90 F CA -0.050 57.724 58.000 -0.377 0.000 1.170 90 F CB 0.088 38.586 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 3.570 3.960 0.001 0.000 0.329 91 G HA3 -0.391 3.570 3.960 0.001 0.000 0.329 91 G C 1.054 175.933 174.900 -0.036 0.000 1.187 91 G CA 0.977 46.066 45.100 -0.018 0.000 0.965 91 G HN 0.562 nan 8.290 nan 0.000 0.549 92 T N 1.004 115.541 114.554 -0.028 0.000 3.018 92 T HA 0.271 4.622 4.350 0.001 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 0.103 68.969 68.868 -0.004 0.000 0.970 92 T HN 0.636 nan 8.240 nan 0.000 0.475 93 Q N 2.322 122.099 119.800 -0.038 0.000 2.349 93 Q HA 0.179 4.520 4.340 0.001 0.000 0.287 93 Q C -0.859 175.134 176.000 -0.012 0.000 1.044 93 Q CA 0.266 56.054 55.803 -0.025 0.000 0.918 93 Q CB 0.511 29.209 28.738 -0.066 0.000 1.242 93 Q HN 0.176 nan 8.270 nan 0.000 0.405 94 V N 6.051 125.978 119.914 0.022 0.000 2.398 94 V HA 0.507 4.628 4.120 0.001 0.000 0.282 94 V C -1.251 174.872 176.094 0.049 0.000 1.014 94 V CA -0.579 61.728 62.300 0.011 0.000 0.838 94 V CB 1.626 33.442 31.823 -0.012 0.000 1.018 94 V HN 0.620 nan 8.190 nan 0.000 0.432 95 V N 6.907 126.872 119.914 0.085 0.000 2.612 95 V HA 0.743 4.864 4.120 0.001 0.000 0.301 95 V C -0.128 175.990 176.094 0.039 0.000 1.046 95 V CA -0.347 62.013 62.300 0.100 0.000 0.946 95 V CB 1.859 33.807 31.823 0.208 0.000 1.003 95 V HN 1.014 nan 8.190 nan 0.000 0.459 96 E N 2.465 122.682 120.200 0.028 0.000 2.407 96 E HA 0.782 5.132 4.350 0.001 0.000 0.279 96 E C -1.473 175.126 176.600 -0.002 0.000 1.012 96 E CA -1.231 55.173 56.400 0.007 0.000 0.800 96 E CB 2.704 32.412 29.700 0.013 0.000 1.276 96 E HN 0.416 nan 8.360 nan 0.000 0.452 97 K N 0.611 121.001 120.400 -0.016 0.000 2.508 97 K HA 0.487 4.808 4.320 0.001 0.000 0.260 97 K C -2.022 174.539 176.600 -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 35.033 32.500 -0.028 0.000 1.365 97 K HN 0.409 nan 8.250 nan 0.000 0.437 98 V N 3.716 123.552 119.914 -0.130 0.000 2.334 98 V HA 0.491 4.611 4.120 0.001 0.000 0.281 98 V C -0.537 175.436 176.094 -0.201 0.000 1.016 98 V CA -0.735 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 4.678 4.120 0.001 0.000 0.318 99 V C -0.265 176.065 176.094 0.394 0.000 1.114 99 V CA -1.014 61.350 62.300 0.106 0.000 1.020 99 V CB 2.228 34.100 31.823 0.083 0.000 1.085 99 V HN 0.656 nan 8.190 nan 0.000 0.446 100 L N 1.947 123.351 121.223 0.301 0.000 2.334 100 L HA 0.690 5.031 4.340 0.001 0.000 0.277 100 L C -0.410 176.437 176.870 -0.039 0.000 1.075 100 L CA 0.438 55.314 54.840 0.060 0.000 0.804 100 L CB 1.415 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 3.352 123.177 119.914 -0.148 0.000 2.864 101 V HA 0.675 4.796 4.120 0.001 0.000 0.314 101 V C -0.388 175.640 176.094 -0.109 0.000 1.073 101 V CA -0.584 61.666 62.300 -0.083 0.000 0.956 101 V CB 2.061 33.863 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 0.001 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 1.449 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 0.001 0.000 0.218 103 L C 1.043 177.947 176.870 0.058 0.000 1.130 103 L CA 0.462 55.311 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 0.626 120.474 119.800 0.079 0.000 2.388 104 Q HA -0.070 4.271 4.340 0.001 0.000 0.302 104 Q C 1.135 177.270 176.000 0.224 0.000 1.149 104 Q CA -0.156 55.749 55.803 0.171 0.000 1.014 104 Q CB 0.655 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 1.607 117.427 115.700 0.200 0.000 2.335 105 S HA 0.003 4.473 4.470 0.001 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 0.001 0.000 0.123 106 G HA3 0.519 4.479 3.960 0.001 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 -0.630 0.000 1.238 106 G HN 0.219 nan 8.290 nan 0.000 0.617 107 Y N -0.569 119.670 120.300 -0.101 0.000 2.630 107 Y HA 0.860 5.411 4.550 0.001 0.000 0.337 107 Y C 0.016 175.390 175.900 -0.876 0.000 1.051 107 Y CA -1.125 56.717 58.100 -0.429 0.000 1.121 107 Y CB 2.021 40.296 38.460 -0.307 0.000 1.299 107 Y HN 0.319 nan 8.280 nan 0.000 0.498 108 L N 1.938 122.238 121.223 -1.538 0.000 2.464 108 L HA 0.538 4.879 4.340 0.001 0.000 0.266 108 L C -1.724 174.537 176.870 -1.014 0.000 0.965 108 L CA -0.507 53.616 54.840 -1.195 0.000 0.833 108 L CB 1.968 43.171 42.059 -1.427 0.000 1.296 108 L HN 0.479 nan 8.230 nan 0.000 0.405 109 F N 2.973 122.875 119.950 -0.080 0.000 2.551 109 F HA 0.677 5.204 4.527 0.001 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 1.651 122.417 120.570 0.327 0.000 2.569 110 I HA 0.473 4.643 4.170 0.001 0.000 0.296 110 I C -0.869 175.421 176.117 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 3.904 123.859 119.800 0.257 0.000 2.323 111 Q HA 0.577 4.918 4.340 0.001 0.000 0.271 111 Q C -1.397 174.729 176.000 0.211 0.000 1.048 111 Q CA -0.636 55.322 55.803 0.258 0.000 0.792 111 Q CB 2.435 31.381 28.738 0.347 0.000 1.280 111 Q HN 0.834 nan 8.270 nan 0.000 0.441 112 T N -0.338 114.337 114.554 0.201 0.000 2.885 112 T HA 0.249 4.599 4.350 0.001 0.000 0.285 112 T C 0.746 175.569 174.700 0.205 0.000 1.019 112 T CA -0.558 61.658 62.100 0.194 0.000 1.010 112 T CB 1.233 70.211 68.868 0.183 0.000 1.022 112 T HN 0.666 nan 8.240 nan 0.000 0.466 113 D N 1.994 122.528 120.400 0.223 0.000 2.097 113 D HA -0.095 4.545 4.640 0.001 0.000 0.195 113 D C 0.473 176.811 176.300 0.063 0.000 0.989 113 D CA 1.210 55.302 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 -0.682 119.697 120.400 -0.035 0.000 2.280 114 K HA 0.405 4.726 4.320 0.001 0.000 0.234 114 K C 0.894 177.335 176.600 -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 33.366 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 0.001 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 -0.056 0.000 1.013 115 T CB -0.218 68.629 68.868 -0.035 0.000 0.975 115 T HN 0.537 nan 8.240 nan 0.000 0.518 116 I N -0.013 120.363 120.570 -0.322 0.000 2.731 116 I HA 0.500 4.671 4.170 0.001 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 1.651 39.510 38.000 -0.235 0.000 1.345 116 I HN 0.024 nan 8.210 nan 0.000 0.425 117 Y N 3.526 123.968 120.300 0.237 0.000 2.602 117 Y HA 0.663 5.213 4.550 0.001 0.000 0.342 117 Y C 0.280 176.304 175.900 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 40.733 38.460 0.074 0.000 1.284 117 Y HN 0.544 nan 8.280 nan 0.000 0.485 118 T N -0.513 114.118 114.554 0.128 0.000 2.929 118 T HA 0.446 4.796 4.350 0.001 0.000 0.284 118 T C -2.941 171.718 174.700 -0.068 0.000 1.014 118 T CA -2.706 59.319 62.100 -0.126 0.000 1.051 118 T CB 1.496 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 2.355 111.062 108.800 -0.155 0.000 2.176 120 G HA2 -0.200 3.761 3.960 0.001 0.000 0.232 120 G HA3 -0.200 3.761 3.960 0.001 0.000 0.232 120 G C 0.083 174.902 174.900 -0.135 0.000 0.986 120 G CA 0.153 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 0.489 116.123 115.700 -0.109 0.000 2.429 121 S HA 0.685 5.156 4.470 0.001 0.000 0.302 121 S C 0.125 174.667 174.600 -0.097 0.000 1.115 121 S CA 0.171 58.342 58.200 -0.049 0.000 1.095 121 S CB 2.001 65.232 63.200 0.052 0.000 0.987 121 S HN 0.462 nan 8.310 nan 0.000 0.474 122 T N 3.024 117.510 114.554 -0.114 0.000 2.930 122 T HA 0.289 4.639 4.350 0.001 0.000 0.306 122 T C -0.047 174.518 174.700 -0.225 0.000 1.045 122 T CA -0.240 61.751 62.100 -0.181 0.000 1.134 122 T CB 0.440 69.236 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 -0.385 0.000 2.347 123 V HA 0.322 4.442 4.120 0.001 0.000 0.280 123 V C 0.227 176.229 176.094 -0.155 0.000 1.021 123 V CA -0.795 61.107 62.300 -0.664 0.000 0.847 123 V CB 0.942 31.997 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 0.001 0.000 0.275 124 L C -0.493 176.487 176.870 0.183 0.000 1.115 124 L CA -0.335 54.555 54.840 0.083 0.000 0.820 124 L CB 0.477 42.568 42.059 0.054 0.000 1.135 124 L HN 0.808 nan 8.230 nan 0.000 0.445 125 Y N 0.779 121.028 120.300 -0.085 0.000 2.513 125 Y HA 0.670 5.221 4.550 0.001 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 2.974 123.410 120.500 -0.107 0.000 2.562 126 R HA 0.639 4.980 4.340 0.001 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 2.500 32.462 30.300 -0.563 0.000 1.159 126 R HN 0.713 nan 8.270 nan 0.000 0.450 127 I N 3.377 123.725 120.570 -0.371 0.000 2.354 127 I HA 0.230 4.401 4.170 0.001 0.000 0.286 127 I C -0.720 175.225 176.117 -0.287 0.000 1.007 127 I CA -0.210 60.960 61.300 -0.216 0.000 1.167 127 I CB 0.659 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 4.141 124.122 119.950 0.052 0.000 2.410 128 F HA 0.421 4.949 4.527 0.001 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 1.082 40.143 39.000 0.101 0.000 1.129 128 F HN 0.359 nan 8.300 nan 0.000 0.516 129 T N 1.764 116.446 114.554 0.214 0.000 2.791 129 T HA 0.750 5.101 4.350 0.001 0.000 0.288 129 T C -0.767 174.074 174.700 0.236 0.000 0.999 129 T CA -0.675 61.535 62.100 0.184 0.000 0.952 129 T CB 0.826 69.803 68.868 0.182 0.000 0.938 129 T HN 0.658 nan 8.240 nan 0.000 0.444 130 V N 1.117 121.191 119.914 0.267 0.000 3.147 130 V HA 0.759 4.880 4.120 0.001 0.000 0.306 130 V C -0.499 175.670 176.094 0.124 0.000 1.209 130 V CA -1.461 60.962 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 0.507 119.238 118.700 0.052 0.000 2.322 131 N HA 0.217 4.957 4.740 0.001 0.000 0.270 131 N C 0.787 176.263 175.510 -0.057 0.000 1.286 131 N CA 0.053 53.089 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 -1.001 118.015 119.070 -0.089 0.000 2.561 132 H HA 0.061 4.617 4.556 0.001 0.000 0.278 132 H C 0.236 175.647 175.328 0.138 0.000 1.014 132 H CA 0.795 56.798 56.048 -0.076 0.000 1.211 132 H CB 0.386 30.090 29.762 -0.096 0.000 1.365 132 H HN 0.542 nan 8.280 nan 0.000 0.594 133 K N 0.635 121.153 120.400 0.197 0.000 2.387 133 K HA 0.136 4.456 4.320 0.001 0.000 0.198 133 K C 0.593 177.314 176.600 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 0.659 122.031 121.223 0.247 0.000 4.232 134 L HA -0.251 4.089 4.340 0.001 0.000 0.415 134 L C -0.429 176.519 176.870 0.131 0.000 1.168 134 L CA 0.312 55.284 54.840 0.221 0.000 0.966 134 L CB -1.628 40.535 42.059 0.174 0.000 2.052 134 L HN 0.265 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 0.435 4.776 4.340 0.001 0.000 0.273 135 L C -1.598 175.320 176.870 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 0.188 63.335 63.100 0.079 0.000 0.764 136 P CB 1.632 33.372 31.700 0.068 0.000 0.825 137 V N 3.496 123.445 119.914 0.058 0.000 3.166 137 V HA 0.832 4.953 4.120 0.001 0.000 0.317 137 V C 0.191 176.300 176.094 0.025 0.000 1.136 137 V CA -0.715 61.597 62.300 0.020 0.000 1.035 137 V CB 2.245 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 3.107 111.905 108.800 -0.002 0.000 2.728 138 G HA2 0.662 4.622 3.960 0.001 0.000 0.296 138 G HA3 0.662 4.622 3.960 0.001 0.000 0.296 138 G C -0.646 174.245 174.900 -0.016 0.000 1.401 138 G CA -0.551 44.554 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 0.001 0.000 0.236 139 R C -0.684 175.658 176.300 0.070 0.000 1.469 139 R CA -0.727 55.368 56.100 -0.007 0.000 1.045 139 R CB 0.671 30.887 30.300 -0.139 0.000 1.481 139 R HN 0.379 nan 8.270 nan 0.000 0.506 140 T N 1.176 115.787 114.554 0.095 0.000 2.824 140 T HA 0.488 4.839 4.350 0.001 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 1.600 70.508 68.868 0.067 0.000 0.955 140 T HN 0.134 nan 8.240 nan 0.000 0.452 141 V N 4.594 124.550 119.914 0.071 0.000 2.735 141 V HA 0.565 4.686 4.120 0.001 0.000 0.310 141 V C -0.372 175.657 176.094 -0.108 0.000 1.061 141 V CA -1.001 61.295 62.300 -0.006 0.000 0.913 141 V CB 2.039 33.822 31.823 -0.067 0.000 1.005 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 3.827 123.256 119.600 -0.285 0.000 2.404 142 M HA 0.691 5.172 4.480 0.001 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 3.062 122.838 119.914 -0.230 0.000 2.524 143 V HA 0.393 4.514 4.120 0.001 0.000 0.297 143 V C -0.334 175.696 176.094 -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 4.183 122.813 118.700 -0.115 0.000 2.466 144 N HA 0.644 5.385 4.740 0.001 0.000 0.294 144 N C -1.035 174.385 175.510 -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 1.594 122.039 120.570 -0.208 0.000 2.502 145 I HA 0.196 4.366 4.170 0.001 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 0.909 38.523 38.000 -0.644 0.000 1.288 145 I HN 0.273 nan 8.210 nan 0.000 0.479 146 E N 4.915 124.995 120.200 -0.199 0.000 2.338 146 E HA 0.104 4.454 4.350 0.001 0.000 0.272 146 E C -0.127 176.152 176.600 -0.534 0.000 1.029 146 E CA -0.472 55.761 56.400 -0.278 0.000 0.872 146 E CB 1.035 30.597 29.700 -0.230 0.000 1.015 146 E HN 0.525 nan 8.360 nan 0.000 0.417 147 N N 3.084 121.296 118.700 -0.813 0.000 2.364 147 N HA 0.113 4.854 4.740 0.001 0.000 0.264 147 N C -2.250 172.614 175.510 -1.077 0.000 1.263 147 N CA -1.770 50.269 53.050 -1.685 0.000 0.959 147 N CB -0.022 37.661 38.487 -1.341 0.000 1.204 147 N HN 0.036 nan 8.380 nan 0.000 0.550 148 P HA 0.036 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 0.929 63.694 63.100 -0.559 0.000 0.765 148 P CB -0.083 31.394 31.700 -0.371 0.000 0.936 149 E N -1.341 118.664 120.200 -0.325 0.000 2.499 149 E HA 0.347 4.698 4.350 0.001 0.000 0.199 149 E C 0.961 177.444 176.600 -0.194 0.000 1.016 149 E CA 0.158 56.435 56.400 -0.204 0.000 0.933 149 E CB -0.409 29.198 29.700 -0.156 0.000 1.050 149 E HN 0.070 nan 8.360 nan 0.000 0.462 150 G N 1.812 110.464 108.800 -0.246 0.000 2.179 150 G HA2 -0.227 3.734 3.960 0.001 0.000 0.260 150 G HA3 -0.227 3.734 3.960 0.001 0.000 0.260 150 G C 0.183 174.977 174.900 -0.177 0.000 0.977 150 G CA -0.024 44.959 45.100 -0.194 0.000 0.641 150 G HN 0.304 nan 8.290 nan 0.000 0.533 151 I N 1.641 122.090 120.570 -0.203 0.000 2.297 151 I HA 0.276 4.446 4.170 0.001 0.000 0.291 151 I C -2.070 173.959 176.117 -0.147 0.000 1.033 151 I CA -2.952 58.261 61.300 -0.144 0.000 1.253 151 I CB 0.487 38.419 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 1.076 178.342 177.300 -0.056 0.000 1.161 152 P CA 0.466 63.513 63.100 -0.089 0.000 0.768 152 P CB 0.345 32.017 31.700 -0.048 0.000 0.746 153 V N 1.150 121.032 119.914 -0.053 0.000 3.621 153 V HA 0.330 4.451 4.120 0.001 0.000 0.285 153 V C 0.452 176.597 176.094 0.084 0.000 1.346 153 V CA 0.570 62.906 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 1.405 121.792 120.400 -0.021 0.000 2.622 154 K HA 0.345 4.666 4.320 0.001 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 2.698 122.498 119.800 -0.001 0.000 2.389 155 Q HA 0.534 4.875 4.340 0.001 0.000 0.277 155 Q C -1.393 174.613 176.000 0.010 0.000 1.082 155 Q CA -0.896 54.899 55.803 -0.014 0.000 0.810 155 Q CB 2.787 31.513 28.738 -0.019 0.000 1.374 155 Q HN 0.519 nan 8.270 nan 0.000 0.422 156 D N 0.537 120.937 120.400 -0.001 0.000 2.531 156 D HA 0.499 5.139 4.640 0.001 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 0.003 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 0.338 116.029 115.700 -0.016 0.000 2.659 157 S HA 0.598 5.068 4.470 0.001 0.000 0.312 157 S C -1.466 173.125 174.600 -0.016 0.000 1.114 157 S CA -0.545 57.643 58.200 -0.021 0.000 1.063 157 S CB 0.405 63.604 63.200 -0.001 0.000 0.996 157 S HN 0.277 nan 8.310 nan 0.000 0.478 158 L N 3.248 124.457 121.223 -0.024 0.000 2.370 158 L HA 0.704 5.044 4.340 0.001 0.000 0.266 158 L C -0.148 176.718 176.870 -0.006 0.000 1.002 158 L CA -0.155 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 0.001 0.000 0.297 159 S C 0.513 175.115 174.600 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 2.889 118.600 115.700 0.019 0.000 2.582 160 S HA 0.211 4.682 4.470 0.001 0.000 0.234 160 S C 0.177 174.784 174.600 0.011 0.000 0.961 160 S CA -0.365 57.843 58.200 0.014 0.000 0.953 160 S CB -0.058 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 0.001 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 -0.081 28.658 28.738 0.002 0.000 1.186 161 Q HN 0.426 nan 8.270 nan 0.000 0.392 162 N N 2.904 121.605 118.700 0.002 0.000 2.714 162 N HA -0.222 4.518 4.740 0.001 0.000 0.250 162 N C -0.578 174.930 175.510 -0.003 0.000 1.117 162 N CA 1.052 54.102 53.050 -0.000 0.000 0.719 162 N CB -1.099 37.386 38.487 -0.002 0.000 1.081 162 N HN 0.636 nan 8.380 nan 0.000 0.557 163 Q N -0.135 119.664 119.800 -0.001 0.000 2.159 163 Q HA 0.410 4.750 4.340 0.001 0.000 0.217 163 Q C 0.318 176.320 176.000 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 0.001 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 -1.377 40.694 42.059 0.020 0.000 1.976 164 L HN 0.473 nan 8.230 nan 0.000 0.939 165 G N -2.159 106.671 108.800 0.049 0.000 2.136 165 G HA2 -0.191 3.769 3.960 0.001 0.000 0.242 165 G HA3 -0.191 3.769 3.960 0.001 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 0.932 120.848 119.914 0.004 0.000 2.409 166 V HA 0.576 4.697 4.120 0.001 0.000 0.290 166 V C 0.228 176.228 176.094 -0.157 0.000 1.017 166 V CA -0.719 61.517 62.300 -0.106 0.000 0.841 166 V CB 1.696 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 7.160 128.246 121.223 -0.230 0.000 2.283 167 L HA 0.461 4.802 4.340 0.001 0.000 0.281 167 L C -2.415 174.282 176.870 -0.288 0.000 1.033 167 L CA -1.526 53.187 54.840 -0.211 0.000 0.848 167 L CB 1.388 43.340 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 -0.683 176.408 177.300 -0.347 0.000 1.223 168 P CA -0.063 62.876 63.100 -0.269 0.000 0.785 168 P CB 0.955 32.550 31.700 -0.175 0.000 0.923 169 L N 0.186 121.130 121.223 -0.463 0.000 2.869 169 L HA 0.492 4.832 4.340 0.001 0.000 0.265 169 L C -0.720 175.846 176.870 -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 43.345 42.059 -1.239 0.000 1.490 169 L HN 0.515 nan 8.230 nan 0.000 0.410 170 S N -0.625 114.965 115.700 -0.184 0.000 2.671 170 S HA 0.827 5.298 4.470 0.001 0.000 0.277 170 S C -2.155 172.687 174.600 0.403 0.000 1.165 170 S CA -0.708 57.573 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 5.105 4.660 0.000 0.000 0.326 171 W C -2.238 174.219 176.519 -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 30.724 29.460 -0.039 0.000 1.302 171 W HN 0.698 nan 8.180 nan 0.000 0.467 172 D N 6.524 126.549 120.400 -0.624 0.000 2.365 172 D HA 0.227 4.868 4.640 0.001 0.000 0.237 172 D C 0.532 176.161 176.300 -1.118 0.000 1.190 172 D CA 0.167 53.778 54.000 -0.649 0.000 0.867 172 D CB 1.029 41.588 40.800 -0.403 0.000 1.050 172 D HN 0.342 nan 8.370 nan 0.000 0.491 173 I N 4.115 124.108 120.570 -0.961 0.000 2.662 173 I HA -0.012 4.159 4.170 0.001 0.000 0.285 173 I C -1.817 173.961 176.117 -0.566 0.000 1.161 173 I CA -1.262 59.464 61.300 -0.956 0.000 1.415 173 I CB 0.117 37.814 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 -0.205 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 0.231 120.370 120.200 -0.101 0.000 2.047 175 E HA -0.078 4.272 4.350 0.001 0.000 0.191 175 E C 0.713 177.289 176.600 -0.040 0.000 0.987 175 E CA 1.230 57.585 56.400 -0.074 0.000 0.799 175 E CB -0.423 29.241 29.700 -0.061 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.449 176 L N -1.075 120.140 121.223 -0.013 0.000 2.295 176 L HA 0.673 5.014 4.340 0.001 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 43.957 42.059 0.021 0.000 1.214 176 L HN -0.250 nan 8.230 nan 0.000 0.426 177 V N 1.862 121.831 119.914 0.092 0.000 3.234 177 V HA 0.362 4.482 4.120 0.001 0.000 0.280 177 V C -1.422 174.806 176.094 0.224 0.000 1.580 177 V CA -0.748 61.666 62.300 0.191 0.000 1.032 177 V CB 2.556 34.528 31.823 0.248 0.000 1.203 177 V HN 0.968 nan 8.190 nan 0.000 0.459 178 N N 3.705 122.583 118.700 0.296 0.000 2.447 178 N HA 0.232 4.973 4.740 0.001 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 1.218 120.951 119.600 0.222 0.000 2.167 179 M HA 0.359 4.839 4.480 0.001 0.000 0.300 179 M C 1.190 177.632 176.300 0.237 0.000 1.171 179 M CA 0.844 56.274 55.300 0.218 0.000 1.171 179 M CB 0.371 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 0.135 109.071 108.800 0.228 0.000 2.343 180 G HA2 0.026 3.987 3.960 0.001 0.000 0.465 180 G HA3 0.026 3.987 3.960 0.001 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 0.046 119.896 119.800 0.083 0.000 2.406 181 Q HA 0.363 4.703 4.340 0.001 0.000 0.242 181 Q C -0.528 175.448 176.000 -0.041 0.000 1.036 181 Q CA -0.103 55.727 55.803 0.045 0.000 0.904 181 Q CB 0.686 29.419 28.738 -0.007 0.000 1.244 181 Q HN 0.437 nan 8.270 nan 0.000 0.478 182 W N 2.077 123.119 121.300 -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 0.607 29.440 29.460 -1.046 0.000 1.166 182 W HN 0.276 nan 8.180 nan 0.000 0.630 183 K N 1.340 121.589 120.400 -0.251 0.000 2.464 183 K HA 0.584 4.904 4.320 0.001 0.000 0.253 183 K C -1.623 174.957 176.600 -0.033 0.000 0.933 183 K CA -0.617 55.598 56.287 -0.120 0.000 0.801 183 K CB 1.403 33.836 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 0.001 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 5.235 4.340 0.001 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 2.330 125.157 122.820 0.012 0.000 2.520 186 A HA 0.645 4.965 4.320 0.001 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 1.140 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 -1.077 119.229 120.300 0.009 0.000 2.581 187 Y HA 0.753 5.303 4.550 0.001 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 1.500 121.986 120.300 0.311 0.000 2.359 188 Y HA 0.070 4.620 4.550 0.001 0.000 0.330 188 Y C 1.740 177.804 175.900 0.273 0.000 1.143 188 Y CA -0.000 58.212 58.100 0.187 0.000 1.318 188 Y CB 1.211 39.737 38.460 0.111 0.000 1.234 188 Y HN 0.892 nan 8.280 nan 0.000 0.522 189 E N 2.048 122.474 120.200 0.376 0.000 2.331 189 E HA -0.270 4.081 4.350 0.001 0.000 0.199 189 E C 1.012 177.735 176.600 0.206 0.000 1.008 189 E CA 1.070 57.646 56.400 0.295 0.000 0.843 189 E CB 0.170 29.980 29.700 0.183 0.000 0.761 189 E HN 0.726 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 0.001 0.000 0.183 190 N C -0.184 175.383 175.510 0.096 0.000 1.017 190 N CA 1.152 54.266 53.050 0.108 0.000 0.861 190 N CB 0.362 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 -0.589 115.199 115.700 0.146 0.000 2.524 191 S HA 0.415 4.886 4.470 0.001 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 0.083 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 -0.198 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 1.049 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 0.280 119.975 119.800 -0.176 0.000 2.084 193 Q HA -0.190 4.151 4.340 0.001 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 1.524 121.305 119.800 -0.032 0.000 2.452 194 Q HA 0.338 4.678 4.340 0.001 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 0.709 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 4.173 124.006 119.914 -0.134 0.000 2.716 195 V HA 0.473 4.594 4.120 0.001 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 33.042 31.823 0.039 0.000 1.021 195 V HN 0.523 nan 8.190 nan 0.000 0.467 196 F N 0.946 120.892 119.950 -0.008 0.000 2.551 196 F HA 0.684 5.212 4.527 0.001 0.000 0.316 196 F C 0.272 176.054 175.800 -0.030 0.000 1.089 196 F CA -0.392 57.578 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 0.683 116.461 115.700 0.131 0.000 2.548 197 S HA 0.764 5.235 4.470 0.001 0.000 0.276 197 S C -0.875 173.787 174.600 0.105 0.000 1.129 197 S CA -0.679 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 4.820 4.350 0.001 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 1.023 121.322 120.200 0.164 0.000 2.239 199 E HA 0.742 5.092 4.350 0.001 0.000 0.261 199 E C -1.198 175.603 176.600 0.336 0.000 1.016 199 E CA -0.831 55.657 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 4.895 4.527 0.001 0.000 0.314 200 F C -0.774 175.159 175.800 0.222 0.000 1.119 200 F CA -1.130 56.992 58.000 0.202 0.000 1.000 200 F CB 0.940 40.116 39.000 0.293 0.000 1.278 200 F HN 0.263 nan 8.300 nan 0.000 0.446 201 E N 2.297 122.661 120.200 0.272 0.000 2.331 201 E HA 0.579 4.929 4.350 0.001 0.000 0.272 201 E C -1.524 175.235 176.600 0.265 0.000 1.036 201 E CA -0.731 55.785 56.400 0.193 0.000 0.864 201 E CB 1.691 31.467 29.700 0.127 0.000 1.035 201 E HN 0.648 nan 8.360 nan 0.000 0.408 202 V N 5.363 125.396 119.914 0.199 0.000 2.409 202 V HA 0.423 4.543 4.120 0.001 0.000 0.291 202 V C -0.088 176.111 176.094 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 33.192 31.823 -0.043 0.000 0.990 202 V HN 0.677 nan 8.190 nan 0.000 0.430 203 K N 3.048 123.571 120.400 0.206 0.000 2.499 203 K HA 0.597 4.918 4.320 0.001 0.000 0.277 203 K C -1.214 175.454 176.600 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 0.663 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 0.001 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 1.187 30.860 29.700 -0.045 0.000 1.104 204 E HN 0.427 nan 8.360 nan 0.000 0.403 205 Y N -0.781 119.509 120.300 -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 0.625 120.644 119.914 0.174 0.000 2.713 206 V HA 0.630 4.750 4.120 0.001 0.000 0.307 206 V C -0.225 175.987 176.094 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 4.433 125.745 121.223 0.149 0.000 2.439 207 L HA 0.482 4.823 4.340 0.001 0.000 0.269 207 L C -1.811 175.056 176.870 -0.005 0.000 1.179 207 L CA -1.005 53.863 54.840 0.047 0.000 0.828 207 L CB 0.013 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 0.230 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 0.287 115.956 115.700 -0.053 0.000 2.557 209 S HA 0.318 4.788 4.470 0.001 0.000 0.223 209 S C 0.234 174.933 174.600 0.164 0.000 0.969 209 S CA -0.446 57.849 58.200 0.157 0.000 0.927 209 S CB -1.042 62.379 63.200 0.367 0.000 0.806 209 S HN 0.501 nan 8.310 nan 0.000 0.489 210 F N -0.059 119.776 119.950 -0.190 0.000 2.685 210 F HA 0.791 5.318 4.527 0.000 0.000 0.315 210 F C -0.945 174.741 175.800 -0.190 0.000 1.126 210 F CA -1.289 56.524 58.000 -0.311 0.000 0.950 210 F CB 0.794 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 5.074 4.350 0.001 0.000 0.270 211 E C -1.840 174.804 176.600 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 32.211 29.700 -0.008 0.000 1.172 211 E HN 0.543 nan 8.360 nan 0.000 0.404 212 V N 3.623 123.549 119.914 0.020 0.000 2.604 212 V HA 0.460 4.581 4.120 0.001 0.000 0.305 212 V C -0.305 175.795 176.094 0.010 0.000 1.043 212 V CA -0.748 61.581 62.300 0.049 0.000 0.888 212 V CB 1.518 33.381 31.823 0.067 0.000 0.995 212 V HN 0.653 nan 8.190 nan 0.000 0.429 213 I N 4.442 125.016 120.570 0.007 0.000 2.512 213 I HA 0.504 4.675 4.170 0.001 0.000 0.287 213 I C -0.828 175.283 176.117 -0.010 0.000 1.069 213 I CA -0.787 60.511 61.300 -0.004 0.000 1.056 213 I CB 2.043 40.042 38.000 -0.002 0.000 1.229 213 I HN 0.238 nan 8.210 nan 0.000 0.429 214 V N 4.965 124.868 119.914 -0.019 0.000 2.532 214 V HA 0.500 4.620 4.120 0.001 0.000 0.295 214 V C -0.318 175.761 176.094 -0.026 0.000 1.041 214 V CA -0.441 61.840 62.300 -0.032 0.000 0.926 214 V CB 1.897 33.684 31.823 -0.060 0.000 0.992 214 V HN 0.750 nan 8.190 nan 0.000 0.457 215 E N 4.068 124.255 120.200 -0.022 0.000 2.313 215 E HA 0.392 4.742 4.350 0.001 0.000 0.280 215 E C -2.939 173.659 176.600 -0.004 0.000 0.898 215 E CA -1.608 54.786 56.400 -0.010 0.000 0.803 215 E CB 2.949 32.648 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 0.701 177.994 177.300 -0.012 0.000 1.220 216 P CA -0.164 62.937 63.100 0.001 0.000 0.768 216 P CB 0.830 32.532 31.700 0.003 0.000 0.848 217 T N -0.313 114.230 114.554 -0.018 0.000 2.822 217 T HA -0.117 4.234 4.350 0.001 0.000 0.270 217 T C 0.585 175.246 174.700 -0.064 0.000 1.064 217 T CA 1.253 63.335 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 4.750 4.350 0.001 0.000 0.266 218 E C -0.285 176.230 176.600 -0.142 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 0.154 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 4.452 4.320 0.001 0.000 0.204 219 K C -0.431 176.367 176.600 0.331 0.000 1.029 219 K CA 0.260 56.666 56.287 0.199 0.000 1.177 219 K CB -0.366 32.264 32.500 0.217 0.000 0.902 219 K HN 0.314 nan 8.250 nan 0.000 0.501 220 F N -3.966 116.021 119.950 0.062 0.000 2.900 220 F HA 0.322 4.850 4.527 0.001 0.000 0.321 220 F C -1.793 174.114 175.800 0.177 0.000 1.160 220 F CA -1.836 56.222 58.000 0.096 0.000 0.890 220 F CB 0.709 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 5.119 4.550 0.002 0.000 0.337 221 Y C -1.687 174.384 175.900 0.283 0.000 0.965 221 Y CA -1.778 56.354 58.100 0.054 0.000 1.091 221 Y CB 1.278 39.771 38.460 0.055 0.000 1.182 221 Y HN 0.738 nan 8.280 nan 0.000 0.450 222 Y N 7.570 127.519 120.300 -0.584 0.000 2.365 222 Y HA 0.291 4.842 4.550 0.001 0.000 0.340 222 Y C 0.928 176.400 175.900 -0.713 0.000 1.016 222 Y CA -0.837 57.051 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 0.782 nan 8.280 nan 0.000 0.509 223 I N 5.150 125.338 120.570 -0.637 0.000 2.423 223 I HA -0.341 3.829 4.170 0.001 0.000 0.254 223 I C 0.527 176.287 176.117 -0.594 0.000 1.151 223 I CA 1.554 62.555 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 -0.112 119.653 120.300 -0.892 0.000 2.532 224 Y HA 0.182 4.733 4.550 0.001 0.000 0.283 224 Y C 0.967 176.758 175.900 -0.182 0.000 1.181 224 Y CA -0.523 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 1.964 120.611 118.700 -0.088 0.000 2.663 225 N HA -0.044 4.696 4.740 0.001 0.000 0.250 225 N C 1.012 176.587 175.510 0.110 0.000 1.129 225 N CA 0.306 53.395 53.050 0.065 0.000 0.995 225 N CB 0.513 38.969 38.487 -0.052 0.000 1.324 225 N HN 0.254 nan 8.380 nan 0.000 0.512 226 E N 2.578 122.835 120.200 0.095 0.000 2.233 226 E HA -0.199 4.151 4.350 0.001 0.000 0.199 226 E C 0.929 177.574 176.600 0.075 0.000 1.004 226 E CA 1.578 58.021 56.400 0.073 0.000 0.819 226 E CB 0.232 29.965 29.700 0.054 0.000 0.738 226 E HN 0.498 nan 8.360 nan 0.000 0.478 227 K N -0.954 119.501 120.400 0.091 0.000 2.365 227 K HA 0.114 4.435 4.320 0.001 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 0.029 32.565 32.500 0.061 0.000 0.759 227 K HN 0.286 nan 8.250 nan 0.000 0.469 228 G N 0.857 109.761 108.800 0.172 0.000 2.693 228 G HA2 -0.269 3.692 3.960 0.001 0.000 0.226 228 G HA3 -0.269 3.692 3.960 0.001 0.000 0.226 228 G C -1.278 173.682 174.900 0.100 0.000 1.354 228 G CA -0.477 44.675 45.100 0.087 0.000 0.873 228 G HN 0.143 nan 8.290 nan 0.000 0.562 229 L N 1.164 122.282 121.223 -0.175 0.000 2.260 229 L HA 0.630 4.971 4.340 0.001 0.000 0.289 229 L C 0.518 177.408 176.870 0.034 0.000 1.057 229 L CA -0.242 54.580 54.840 -0.030 0.000 0.811 229 L CB 0.582 42.597 42.059 -0.073 0.000 1.184 229 L HN 0.591 nan 8.230 nan 0.000 0.429 230 E N 4.040 124.275 120.200 0.058 0.000 2.216 230 E HA 0.578 4.929 4.350 0.001 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 2.321 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 2.340 122.303 119.914 0.082 0.000 2.808 231 V HA 0.277 4.397 4.120 0.001 0.000 0.308 231 V C -0.664 175.454 176.094 0.039 0.000 1.099 231 V CA -0.727 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 5.778 120.342 114.554 0.015 0.000 2.770 232 T HA 0.589 4.939 4.350 0.001 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 69.811 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 0.001 0.000 0.294 233 I C 0.453 176.560 176.117 -0.017 0.000 0.988 233 I CA -0.435 60.858 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 5.027 119.572 114.554 -0.014 0.000 2.928 234 T HA 0.733 5.083 4.350 0.001 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 70.853 68.868 -0.011 0.000 1.005 234 T HN 0.716 nan 8.240 nan 0.000 0.442 235 A N 3.621 126.410 122.820 -0.052 0.000 2.371 235 A HA 0.960 5.281 4.320 0.001 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 1.277 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 4.904 4.340 0.001 0.000 0.269 236 R C -1.604 174.637 176.300 -0.098 0.000 1.113 236 R CA -0.683 55.363 56.100 -0.089 0.000 0.948 236 R CB 0.433 30.730 30.300 -0.006 0.000 1.237 236 R HN 0.377 nan 8.270 nan 0.000 0.441 237 F N 2.112 121.954 119.950 -0.181 0.000 2.640 237 F HA -0.030 4.498 4.527 0.001 0.000 0.329 237 F C 1.952 177.596 175.800 -0.260 0.000 1.224 237 F CA 0.035 57.844 58.000 -0.318 0.000 1.373 237 F CB 0.338 38.730 39.000 -1.013 0.000 1.129 237 F HN 0.420 nan 8.300 nan 0.000 0.610 238 L N 0.176 121.381 121.223 -0.030 0.000 1.988 238 L HA -0.141 4.200 4.340 0.001 0.000 0.207 238 L C 0.496 177.413 176.870 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 0.550 nan 8.230 nan 0.000 0.433 239 Y N 1.168 121.564 120.300 0.161 0.000 2.805 239 Y HA 0.287 4.838 4.550 0.001 0.000 0.331 239 Y C 0.898 176.875 175.900 0.128 0.000 1.241 239 Y CA -1.152 57.013 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 4.652 113.549 108.800 0.160 0.000 2.307 240 G HA2 0.387 4.347 3.960 0.001 0.000 0.271 240 G HA3 0.387 4.347 3.960 0.001 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 1.598 122.044 120.400 0.078 0.000 2.572 241 K HA 0.236 4.556 4.320 0.001 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 0.109 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 0.001 0.000 0.270 242 K C -0.127 176.571 176.600 0.163 0.000 1.011 242 K CA -0.506 55.841 56.287 0.100 0.000 0.953 242 K CB 0.895 33.423 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 0.001 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 -0.582 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 0.001 0.000 0.271 244 E C 0.069 176.425 176.600 -0.407 0.000 0.923 244 E CA -0.278 56.070 56.400 -0.086 0.000 0.790 244 E CB 2.426 32.202 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 -0.691 0.000 2.315 245 G HA2 0.317 4.278 3.960 0.001 0.000 0.294 245 G HA3 0.317 4.278 3.960 0.001 0.000 0.294 245 G C -1.011 173.577 174.900 -0.520 0.000 1.300 245 G CA -0.457 44.015 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 0.001 0.000 0.288 246 T C -0.197 174.368 174.700 -0.225 0.000 1.030 246 T CA 0.023 61.999 62.100 -0.206 0.000 1.020 246 T CB 2.005 70.761 68.868 -0.187 0.000 1.056 246 T HN 2.163 nan 8.240 nan 0.000 0.480 247 A N 1.720 124.369 122.820 -0.285 0.000 2.398 247 A HA 0.720 5.041 4.320 0.001 0.000 0.301 247 A C -1.109 176.316 177.584 -0.264 0.000 1.041 247 A CA -0.975 50.959 52.037 -0.171 0.000 0.711 247 A CB 0.804 19.771 19.000 -0.056 0.000 1.240 247 A HN 0.761 nan 8.150 nan 0.000 0.420 248 F N 2.079 122.038 119.950 0.016 0.000 2.405 248 F HA 0.520 5.048 4.527 0.002 0.000 0.355 248 F C 0.281 176.094 175.800 0.023 0.000 1.121 248 F CA -0.482 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 5.324 125.341 119.914 0.172 0.000 2.628 249 V HA 0.614 4.734 4.120 0.001 0.000 0.306 249 V C -0.390 175.816 176.094 0.187 0.000 1.045 249 V CA -0.959 61.422 62.300 0.135 0.000 0.905 249 V CB 2.221 34.123 31.823 0.131 0.000 0.997 249 V HN 0.740 nan 8.190 nan 0.000 0.436 250 I N 2.560 123.207 120.570 0.129 0.000 2.842 250 I HA 0.602 4.772 4.170 0.001 0.000 0.297 250 I C -1.711 174.448 176.117 0.070 0.000 1.380 250 I CA -0.353 61.071 61.300 0.206 0.000 1.018 250 I CB 2.103 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 3.928 123.756 119.950 -0.203 0.000 2.585 251 F HA 0.943 5.470 4.527 0.000 0.000 0.350 251 F C 0.817 176.267 175.800 -0.585 0.000 1.074 251 F CA -0.559 57.220 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 -0.016 108.341 108.800 -0.737 0.000 2.559 252 G HA2 0.593 4.553 3.960 0.001 0.000 0.291 252 G HA3 0.593 4.553 3.960 0.001 0.000 0.291 252 G C -2.086 172.663 174.900 -0.253 0.000 1.424 252 G CA -0.828 43.851 45.100 -0.703 0.000 0.786 252 G HN 0.504 nan 8.290 nan 0.000 0.485 253 I N 0.236 120.898 120.570 0.152 0.000 2.474 253 I HA 0.464 4.635 4.170 0.001 0.000 0.294 253 I C -0.185 176.118 176.117 0.310 0.000 1.005 253 I CA -0.707 60.730 61.300 0.227 0.000 1.113 253 I CB 2.187 40.253 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 0.001 0.000 0.260 254 Q C -1.541 174.503 176.000 0.073 0.000 0.964 254 Q CA -0.596 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 2.476 122.904 120.400 0.046 0.000 2.469 255 D HA 0.399 5.039 4.640 0.001 0.000 0.251 255 D C 0.475 176.786 176.300 0.020 0.000 1.173 255 D CA 0.925 54.946 54.000 0.036 0.000 0.882 255 D CB 1.057 41.879 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 0.001 0.000 0.317 256 G HA3 -0.368 3.593 3.960 0.001 0.000 0.317 256 G C 0.609 175.506 174.900 -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 0.992 121.185 120.200 -0.012 0.000 2.539 257 E HA 0.301 4.652 4.350 0.001 0.000 0.215 257 E C 1.036 177.615 176.600 -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 30.048 29.700 -0.023 0.000 1.059 257 E HN 0.719 nan 8.360 nan 0.000 0.496 258 Q N 1.661 121.451 119.800 -0.016 0.000 2.288 258 Q HA 0.287 4.627 4.340 0.001 0.000 0.254 258 Q C -0.552 175.447 176.000 -0.001 0.000 0.932 258 Q CA -0.219 55.580 55.803 -0.006 0.000 0.902 258 Q CB 0.723 29.466 28.738 0.008 0.000 1.203 258 Q HN -0.042 nan 8.270 nan 0.000 0.415 259 R N 4.412 124.915 120.500 0.006 0.000 2.473 259 R HA 0.409 4.749 4.340 0.001 0.000 0.303 259 R C -1.115 175.253 176.300 0.113 0.000 1.002 259 R CA -0.665 55.457 56.100 0.036 0.000 0.884 259 R CB 1.138 31.393 30.300 -0.074 0.000 1.173 259 R HN 0.609 nan 8.270 nan 0.000 0.464 260 I N 2.020 122.692 120.570 0.170 0.000 2.362 260 I HA 0.210 4.381 4.170 0.001 0.000 0.289 260 I C 0.652 176.866 176.117 0.163 0.000 0.994 260 I CA -0.420 60.962 61.300 0.136 0.000 1.158 260 I CB 1.339 39.388 38.000 0.082 0.000 1.315 260 I HN 0.432 nan 8.210 nan 0.000 0.451 261 S N 6.643 122.419 115.700 0.126 0.000 2.584 261 S HA 0.570 5.041 4.470 0.001 0.000 0.273 261 S C -0.179 174.428 174.600 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 6.605 127.811 121.223 -0.028 0.000 2.314 262 L HA 0.367 4.708 4.340 0.001 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 0.957 42.980 42.059 -0.060 0.000 1.275 262 L HN 0.566 nan 8.230 nan 0.000 0.432 263 P HA -0.196 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 1.236 64.338 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 0.079 120.266 120.200 -0.021 0.000 2.442 264 E HA -0.029 4.322 4.350 0.001 0.000 0.195 264 E C 1.730 178.301 176.600 -0.049 0.000 1.030 264 E CA 0.435 56.817 56.400 -0.031 0.000 0.869 264 E CB 0.057 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 0.195 115.858 115.700 -0.062 0.000 2.607 265 S HA -0.018 4.453 4.470 0.001 0.000 0.224 265 S C 0.747 175.329 174.600 -0.030 0.000 0.969 265 S CA -0.354 57.775 58.200 -0.118 0.000 0.927 265 S CB -0.121 62.970 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 4.645 4.340 0.001 0.000 0.272 266 L C -0.349 176.559 176.870 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 5.578 126.033 120.400 0.092 0.000 2.464 267 K HA 0.396 4.716 4.320 0.001 0.000 0.253 267 K C -1.062 175.562 176.600 0.039 0.000 0.933 267 K CA -0.721 55.596 56.287 0.050 0.000 0.801 267 K CB 2.358 34.874 32.500 0.028 0.000 1.271 267 K HN 0.591 nan 8.250 nan 0.000 0.430 268 R N 3.312 123.799 120.500 -0.022 0.000 2.288 268 R HA 0.352 4.693 4.340 0.001 0.000 0.326 268 R C -0.464 175.743 176.300 -0.155 0.000 0.959 268 R CA -0.530 55.470 56.100 -0.166 0.000 0.834 268 R CB 0.133 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 1.599 122.070 120.570 -0.164 0.000 2.648 269 I HA 0.679 4.849 4.170 0.001 0.000 0.304 269 I C -2.704 173.336 176.117 -0.128 0.000 1.009 269 I CA -3.159 58.076 61.300 -0.109 0.000 1.114 269 I CB 1.703 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 -0.141 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 3.755 124.281 120.570 -0.074 0.000 2.287 271 I HA 0.207 4.378 4.170 0.001 0.000 0.290 271 I C 0.569 176.654 176.117 -0.053 0.000 1.069 271 I CA -0.152 61.100 61.300 -0.081 0.000 1.237 271 I CB -0.465 37.456 38.000 -0.131 0.000 1.418 271 I HN 0.324 nan 8.210 nan 0.000 0.481 272 E N 4.238 124.424 120.200 -0.024 0.000 2.171 272 E HA 0.194 4.544 4.350 0.001 0.000 0.271 272 E C -0.361 176.236 176.600 -0.004 0.000 0.916 272 E CA -0.598 55.803 56.400 0.002 0.000 0.774 272 E CB 1.254 30.960 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 4.436 4.640 0.001 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 3.695 3.960 0.001 0.000 0.266 274 G HA3 -0.266 3.695 3.960 0.001 0.000 0.266 274 G C 0.334 175.206 174.900 -0.047 0.000 0.982 274 G CA 1.192 46.264 45.100 -0.046 0.000 0.670 274 G HN 1.437 nan 8.290 nan 0.000 0.533 275 S N -1.544 114.134 115.700 -0.037 0.000 2.579 275 S HA 0.869 5.339 4.470 0.001 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 1.300 110.086 108.800 -0.023 0.000 2.720 276 G HA2 0.555 4.515 3.960 0.001 0.000 0.295 276 G HA3 0.555 4.515 3.960 0.001 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 0.602 nan 8.290 nan 0.000 0.509 277 E N -0.634 119.563 120.200 -0.005 0.000 2.207 277 E HA 0.798 5.149 4.350 0.001 0.000 0.270 277 E C -0.892 175.716 176.600 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 31.944 29.700 0.000 0.000 1.172 277 E HN 0.670 nan 8.360 nan 0.000 0.404 278 V N 3.061 122.995 119.914 0.035 0.000 3.236 278 V HA 0.559 4.680 4.120 0.001 0.000 0.287 278 V C -1.722 174.419 176.094 0.078 0.000 1.491 278 V CA -0.591 61.739 62.300 0.051 0.000 1.037 278 V CB 2.318 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 4.122 124.044 119.914 0.014 0.000 2.808 279 V HA 0.534 4.655 4.120 0.001 0.000 0.308 279 V C -0.840 175.025 176.094 -0.382 0.000 1.099 279 V CA -0.663 61.588 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 4.346 125.163 121.223 -0.678 0.000 2.276 280 L HA 0.723 5.064 4.340 0.001 0.000 0.286 280 L C 0.478 177.085 176.870 -0.439 0.000 1.061 280 L CA 0.595 54.906 54.840 -0.882 0.000 0.807 280 L CB 1.555 42.829 42.059 -1.309 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 0.001 0.000 0.283 281 S C 1.083 175.573 174.600 -0.183 0.000 1.196 281 S CA -0.483 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 1.350 121.787 120.500 -0.105 0.000 2.170 282 R HA -0.172 4.168 4.340 0.001 0.000 0.242 282 R C 1.973 178.223 176.300 -0.085 0.000 1.145 282 R CA 1.896 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 -0.109 120.240 120.400 -0.084 0.000 2.007 283 K HA -0.072 4.248 4.320 0.001 0.000 0.206 283 K C 1.761 178.308 176.600 -0.089 0.000 1.047 283 K CA 1.836 58.079 56.287 -0.074 0.000 0.937 283 K CB -0.155 32.307 32.500 -0.064 0.000 0.718 283 K HN 0.073 nan 8.250 nan 0.000 0.438 284 V N 1.434 121.278 119.914 -0.116 0.000 2.287 284 V HA -0.229 3.891 4.120 0.001 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 -0.841 120.288 121.223 -0.156 0.000 2.127 285 L HA -0.149 4.192 4.340 0.001 0.000 0.211 285 L C 2.140 178.957 176.870 -0.087 0.000 1.089 285 L CA 1.854 56.609 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 0.001 0.000 0.200 286 L C 2.173 179.015 176.870 -0.047 0.000 1.075 286 L CA 0.796 55.602 54.840 -0.055 0.000 0.768 286 L CB -0.743 41.283 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 -0.232 4.408 4.640 0.001 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 0.234 109.007 108.800 -0.046 0.000 2.550 288 G HA2 -0.230 3.730 3.960 0.001 0.000 0.222 288 G HA3 -0.230 3.730 3.960 0.001 0.000 0.222 288 G C 1.503 176.388 174.900 -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 -2.091 117.808 119.914 -0.024 0.000 3.114 289 V HA 0.290 4.411 4.120 0.001 0.000 0.202 289 V C 0.997 177.082 176.094 -0.015 0.000 1.211 289 V CA 0.893 63.186 62.300 -0.012 0.000 1.339 289 V CB -0.370 31.446 31.823 -0.010 0.000 1.128 289 V HN 0.366 nan 8.190 nan 0.000 0.502 290 Q N 0.073 119.862 119.800 -0.018 0.000 2.407 290 Q HA 0.193 4.533 4.340 0.001 0.000 0.231 290 Q C -0.681 175.306 176.000 -0.021 0.000 0.668 290 Q CA -0.033 55.759 55.803 -0.018 0.000 1.042 290 Q CB -1.003 27.728 28.738 -0.012 0.000 1.413 290 Q HN 0.864 nan 8.270 nan 0.000 0.350 291 N N 2.394 121.078 118.700 -0.028 0.000 2.667 291 N HA -0.129 4.611 4.740 0.001 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 -0.542 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 0.949 121.432 120.500 -0.030 0.000 2.763 293 R HA 0.012 4.353 4.340 0.001 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 29.714 30.300 -0.020 0.000 0.889 293 R HN 0.525 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 0.001 0.000 0.222 294 A C 1.742 179.263 177.584 -0.105 0.000 1.182 294 A CA 2.011 53.967 52.037 -0.135 0.000 0.649 294 A CB -0.249 18.594 19.000 -0.262 0.000 0.818 294 A HN 0.787 nan 8.150 nan 0.000 0.458 295 E N 0.334 120.479 120.200 -0.091 0.000 2.197 295 E HA -0.251 4.099 4.350 0.001 0.000 0.205 295 E C 1.511 178.110 176.600 -0.002 0.000 1.029 295 E CA 1.642 58.030 56.400 -0.020 0.000 0.828 295 E CB -0.469 29.242 29.700 0.019 0.000 0.737 295 E HN 0.676 nan 8.360 nan 0.000 0.464 296 D N -0.000 120.394 120.400 -0.008 0.000 2.116 296 D HA -0.173 4.467 4.640 0.001 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 0.358 121.586 121.223 0.009 0.000 2.549 297 L HA -0.059 4.281 4.340 0.001 0.000 0.230 297 L C 0.489 177.389 176.870 0.050 0.000 1.162 297 L CA -0.088 54.770 54.840 0.029 0.000 0.834 297 L CB 0.028 42.104 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 4.325 4.120 0.001 0.000 0.292 298 V C 1.212 177.340 176.094 0.057 0.000 1.028 298 V CA 1.319 63.653 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 4.940 113.780 108.800 0.068 0.000 2.307 299 G HA2 -0.190 3.771 3.960 0.001 0.000 0.210 299 G HA3 -0.190 3.771 3.960 0.001 0.000 0.210 299 G C 0.386 175.326 174.900 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 0.622 4.943 4.320 0.001 0.000 0.240 300 K C 0.659 177.320 176.600 0.102 0.000 1.056 300 K CA 0.367 56.702 56.287 0.079 0.000 0.910 300 K CB 0.633 33.178 32.500 0.075 0.000 1.196 300 K HN 0.558 nan 8.250 nan 0.000 0.509 301 S N -0.574 115.193 115.700 0.113 0.000 2.632 301 S HA 0.599 5.069 4.470 0.001 0.000 0.289 301 S C -0.700 174.003 174.600 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 64.182 63.200 0.114 0.000 1.116 301 S HN 0.359 nan 8.310 nan 0.000 0.486 302 L N 1.039 122.367 121.223 0.176 0.000 2.304 302 L HA 0.740 5.080 4.340 0.001 0.000 0.268 302 L C -1.075 175.945 176.870 0.251 0.000 1.010 302 L CA -1.184 53.764 54.840 0.179 0.000 0.813 302 L CB 1.608 43.726 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 5.270 4.550 0.000 0.000 0.337 303 Y C -1.104 174.649 175.900 -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 0.001 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 1.118 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 3.049 118.643 115.700 -0.178 0.000 2.451 305 S HA 0.880 5.350 4.470 0.001 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 1.049 64.260 63.200 0.019 0.000 1.017 305 S HN 1.730 nan 8.310 nan 0.000 0.482 306 A N 3.592 126.401 122.820 -0.018 0.000 2.380 306 A HA 0.857 5.177 4.320 0.001 0.000 0.315 306 A C -0.641 176.980 177.584 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 0.004 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 4.836 4.350 0.001 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 4.489 124.511 119.914 0.180 0.000 2.617 308 V HA 0.598 4.718 4.120 0.001 0.000 0.298 308 V C -0.104 176.122 176.094 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 4.276 124.928 120.570 0.137 0.000 2.466 309 I HA 0.393 4.564 4.170 0.001 0.000 0.289 309 I C -0.280 175.819 176.117 -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 4.808 126.027 121.223 -0.007 0.000 2.483 310 L HA 0.078 4.419 4.340 0.001 0.000 0.275 310 L C 1.202 178.049 176.870 -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 42.230 42.059 0.031 0.000 1.102 310 L HN 0.670 nan 8.230 nan 0.000 0.490 311 H N -0.386 118.703 119.070 0.032 0.000 2.545 311 H HA -0.094 4.463 4.556 0.001 0.000 0.282 311 H C 1.983 177.343 175.328 0.053 0.000 1.020 311 H CA 0.941 57.011 56.048 0.037 0.000 1.243 311 H CB 0.307 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 -1.068 114.735 115.700 0.172 0.000 2.527 312 S HA 0.080 4.551 4.470 0.001 0.000 0.222 312 S C 2.022 176.692 174.600 0.116 0.000 0.985 312 S CA 0.338 58.618 58.200 0.134 0.000 0.921 312 S CB 0.205 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 1.050 109.922 108.800 0.120 0.000 2.189 313 G HA2 -0.351 3.609 3.960 0.001 0.000 0.267 313 G HA3 -0.351 3.609 3.960 0.001 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 -0.626 115.145 115.700 0.118 0.000 2.357 314 S HA 0.243 4.714 4.470 0.001 0.000 0.221 314 S C 0.671 175.341 174.600 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 -0.455 120.040 120.400 0.158 0.000 2.896 315 D HA 0.582 5.223 4.640 0.001 0.000 0.241 315 D C -1.158 175.242 176.300 0.167 0.000 1.188 315 D CA -0.228 53.861 54.000 0.149 0.000 0.879 315 D CB 1.386 42.304 40.800 0.196 0.000 1.553 315 D HN 0.021 nan 8.370 nan 0.000 0.515 316 M N 2.546 122.177 119.600 0.051 0.000 2.578 316 M HA 0.663 5.144 4.480 0.001 0.000 0.321 316 M C -1.411 174.810 176.300 -0.132 0.000 1.182 316 M CA -0.826 54.499 55.300 0.041 0.000 0.965 316 M CB 2.011 34.632 32.600 0.035 0.000 1.694 316 M HN 0.182 nan 8.290 nan 0.000 0.461 317 V N 2.759 122.604 119.914 -0.114 0.000 2.668 317 V HA 0.353 4.474 4.120 0.001 0.000 0.304 317 V C -0.904 175.149 176.094 -0.067 0.000 1.071 317 V CA -0.843 61.325 62.300 -0.220 0.000 0.894 317 V CB 1.918 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 1.916 121.677 119.800 -0.066 0.000 2.193 318 Q HA 0.896 5.236 4.340 0.001 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 30.972 28.738 -0.020 0.000 1.238 318 Q HN 1.044 nan 8.270 nan 0.000 0.469 319 A N 1.554 124.363 122.820 -0.018 0.000 2.590 319 A HA 0.455 4.776 4.320 0.001 0.000 0.296 319 A C -1.887 175.687 177.584 -0.016 0.000 1.050 319 A CA -0.658 51.366 52.037 -0.021 0.000 0.697 319 A CB 1.631 20.617 19.000 -0.024 0.000 1.277 319 A HN 0.715 nan 8.150 nan 0.000 0.411 320 E N 1.098 121.289 120.200 -0.014 0.000 2.291 320 E HA 0.571 4.922 4.350 0.001 0.000 0.276 320 E C -0.940 175.655 176.600 -0.008 0.000 0.896 320 E CA -0.791 55.604 56.400 -0.009 0.000 0.774 320 E CB 1.574 31.286 29.700 0.021 0.000 1.227 320 E HN 0.711 nan 8.360 nan 0.000 0.413 321 R N 2.494 122.981 120.500 -0.021 0.000 2.265 321 R HA 0.394 4.735 4.340 0.001 0.000 0.314 321 R C -1.237 175.079 176.300 0.027 0.000 1.053 321 R CA 0.042 56.138 56.100 -0.007 0.000 0.931 321 R CB 1.235 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 2.207 117.927 115.700 0.034 0.000 2.718 322 S HA 0.572 5.042 4.470 0.001 0.000 0.300 322 S C -0.195 174.441 174.600 0.061 0.000 1.117 322 S CA -0.455 57.775 58.200 0.050 0.000 1.002 322 S CB 1.631 64.821 63.200 -0.017 0.000 1.092 322 S HN 0.944 nan 8.310 nan 0.000 0.542 323 G N 1.089 109.932 108.800 0.070 0.000 2.332 323 G HA2 -0.240 3.720 3.960 0.001 0.000 0.277 323 G HA3 -0.240 3.720 3.960 0.001 0.000 0.277 323 G C -0.303 174.654 174.900 0.095 0.000 0.884 323 G CA 0.106 45.253 45.100 0.077 0.000 1.251 323 G HN 0.561 nan 8.290 nan 0.000 0.462 324 I N 1.841 122.482 120.570 0.118 0.000 2.371 324 I HA 0.246 4.416 4.170 0.001 0.000 0.290 324 I C -1.806 174.410 176.117 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 0.250 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 63.030 63.100 0.184 0.000 0.789 325 P CB 0.597 32.388 31.700 0.151 0.000 0.933 326 I N 3.415 124.112 120.570 0.211 0.000 2.301 326 I HA 0.275 4.445 4.170 0.001 0.000 0.292 326 I C 0.282 176.507 176.117 0.180 0.000 1.046 326 I CA -0.498 60.946 61.300 0.241 0.000 1.282 326 I CB 0.535 38.659 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 0.001 0.000 0.311 327 V C 0.546 176.760 176.094 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 -1.877 112.773 114.554 0.159 0.000 3.037 328 T HA 0.240 4.590 4.350 0.001 0.000 0.252 328 T C 0.814 175.655 174.700 0.236 0.000 1.073 328 T CA 0.787 63.033 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 1.041 nan 8.240 nan 0.000 0.488 329 S N 0.998 116.720 115.700 0.036 0.000 2.536 329 S HA 0.552 5.022 4.470 0.001 0.000 0.287 329 S C -2.366 172.012 174.600 -0.371 0.000 1.101 329 S CA -1.587 56.538 58.200 -0.127 0.000 0.950 329 S CB 1.922 65.063 63.200 -0.097 0.000 1.056 329 S HN -0.145 nan 8.310 nan 0.000 0.481 330 P HA 0.050 nan 4.420 nan 0.000 0.217 330 P C -0.708 176.012 177.300 -0.967 0.000 1.150 330 P CA 1.241 63.596 63.100 -1.242 0.000 0.832 330 P CB -0.014 30.891 31.700 -1.325 0.000 0.787 331 Y N -1.420 118.673 120.300 -0.345 0.000 2.496 331 Y HA 0.549 5.099 4.550 0.001 0.000 0.331 331 Y C 0.965 176.710 175.900 -0.258 0.000 1.140 331 Y CA -0.823 57.111 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 1.133 120.868 119.800 -0.108 0.000 2.359 332 Q HA 0.707 5.048 4.340 0.001 0.000 0.275 332 Q C -1.483 174.269 176.000 -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 2.048 122.229 120.570 -0.649 0.000 2.478 333 I HA 0.363 4.534 4.170 0.001 0.000 0.287 333 I C -1.116 174.449 176.117 -0.921 0.000 1.042 333 I CA -0.658 60.239 61.300 -0.671 0.000 1.067 333 I CB 1.354 39.060 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 -0.371 0.000 2.600 334 H HA 0.354 4.910 4.556 0.001 0.000 0.357 334 H C -0.754 174.415 175.328 -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 0.594 120.641 119.950 0.161 0.000 2.668 335 F HA 0.036 4.564 4.527 0.001 0.000 0.301 335 F C 2.016 177.837 175.800 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 -3.818 110.838 114.554 0.171 0.000 3.148 336 T HA 0.029 4.379 4.350 0.001 0.000 0.253 336 T C 1.409 176.054 174.700 -0.092 0.000 1.134 336 T CA 0.542 62.677 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 0.500 120.805 120.400 -0.157 0.000 2.358 337 K HA 0.197 4.517 4.320 0.001 0.000 0.200 337 K C -0.117 176.336 176.600 -0.244 0.000 1.030 337 K CA -0.022 56.037 56.287 -0.379 0.000 1.097 337 K CB 0.863 33.047 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 0.001 0.000 0.280 338 T C -2.569 172.166 174.700 0.059 0.000 0.995 338 T CA -1.790 60.305 62.100 -0.008 0.000 1.009 338 T CB 1.921 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 0.028 120.356 120.400 -0.120 0.000 2.646 340 K HA 0.284 4.604 4.320 0.001 0.000 0.206 340 K C -0.958 175.343 176.600 -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 0.245 120.551 120.300 0.009 0.000 2.390 341 Y HA 0.300 4.851 4.550 0.001 0.000 0.324 341 Y C -0.304 175.516 175.900 -0.135 0.000 1.151 341 Y CA -2.222 55.863 58.100 -0.025 0.000 1.053 341 Y CB 0.858 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 0.160 119.944 119.950 -0.277 0.000 2.631 342 F HA 0.970 5.498 4.527 0.001 0.000 0.350 342 F C -1.163 174.467 175.800 -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 -0.797 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 0.001 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 33.276 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 0.749 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 2.330 111.191 108.800 0.102 0.000 2.317 345 G HA2 -0.240 3.721 3.960 0.001 0.000 0.227 345 G HA3 -0.240 3.721 3.960 0.001 0.000 0.227 345 G C 0.171 175.097 174.900 0.044 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 1.791 121.381 119.600 -0.018 0.000 2.274 346 M HA 0.376 4.856 4.480 0.001 0.000 0.344 346 M C -2.484 173.771 176.300 -0.074 0.000 1.161 346 M CA -1.584 53.668 55.300 -0.080 0.000 1.126 346 M CB 0.765 33.237 32.600 -0.215 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 -1.127 176.174 177.300 0.003 0.000 1.204 347 P CA 0.106 63.200 63.100 -0.010 0.000 0.768 347 P CB 0.185 31.904 31.700 0.031 0.000 0.842 348 F N 3.561 123.450 119.950 -0.101 0.000 2.411 348 F HA 0.296 4.823 4.527 0.001 0.000 0.352 348 F C -0.356 175.427 175.800 -0.029 0.000 1.123 348 F CA -1.431 56.528 58.000 -0.069 0.000 1.044 348 F CB 0.571 39.523 39.000 -0.080 0.000 1.135 348 F HN 0.154 nan 8.300 nan 0.000 0.461 349 D N 6.741 126.958 120.400 -0.304 0.000 2.336 349 D HA 0.246 4.886 4.640 0.001 0.000 0.249 349 D C -0.539 175.343 176.300 -0.697 0.000 1.213 349 D CA 0.175 53.956 54.000 -0.365 0.000 0.870 349 D CB 0.911 41.619 40.800 -0.154 0.000 1.076 349 D HN 0.334 nan 8.370 nan 0.000 0.483 350 L N 3.026 123.908 121.223 -0.568 0.000 2.265 350 L HA 0.269 4.610 4.340 0.001 0.000 0.288 350 L C 0.368 177.094 176.870 -0.239 0.000 1.058 350 L CA -0.074 54.477 54.840 -0.483 0.000 0.809 350 L CB 0.842 42.711 42.059 -0.316 0.000 1.179 350 L HN 0.198 nan 8.230 nan 0.000 0.429 351 M N 4.739 124.228 119.600 -0.186 0.000 2.754 351 M HA 0.266 4.746 4.480 0.001 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 0.539 33.036 32.600 -0.171 0.000 1.169 351 M HN 0.129 nan 8.290 nan 0.000 0.494 352 V N 3.317 123.248 119.914 0.028 0.000 2.583 352 V HA 0.222 4.342 4.120 0.001 0.000 0.287 352 V C -0.275 175.881 176.094 0.103 0.000 1.051 352 V CA -0.336 62.007 62.300 0.071 0.000 1.010 352 V CB 1.019 32.858 31.823 0.027 0.000 0.988 352 V HN 0.496 nan 8.190 nan 0.000 0.478 353 F N 5.667 125.566 119.950 -0.084 0.000 2.388 353 F HA 0.614 5.142 4.527 0.001 0.000 0.358 353 F C -0.233 175.552 175.800 -0.025 0.000 1.122 353 F CA -1.102 56.872 58.000 -0.044 0.000 1.056 353 F CB 1.429 40.424 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 0.304 4.425 4.120 0.001 0.000 0.278 354 V C -0.144 175.696 176.094 -0.423 0.000 1.018 354 V CA -0.581 61.510 62.300 -0.349 0.000 0.814 354 V CB 1.271 32.951 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 0.001 0.000 0.284 355 T C 0.207 174.839 174.700 -0.113 0.000 0.995 355 T CA -0.814 61.099 62.100 -0.312 0.000 1.060 355 T CB 1.212 69.925 68.868 -0.259 0.000 0.967 355 T HN 0.414 nan 8.240 nan 0.000 0.476 356 N N 2.762 121.425 118.700 -0.062 0.000 2.260 356 N HA 0.127 4.868 4.740 0.001 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 38.802 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 0.703 178.005 177.300 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 -0.912 119.513 120.400 0.042 0.000 2.303 358 D HA -0.194 4.447 4.640 0.001 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 -1.494 107.323 108.800 0.028 0.000 4.080 359 G HA2 -0.004 3.957 3.960 0.001 0.000 0.219 359 G HA3 -0.004 3.957 3.960 0.001 0.000 0.219 359 G C 0.075 174.986 174.900 0.018 0.000 0.843 359 G CA 0.405 45.520 45.100 0.024 0.000 0.856 359 G HN 0.793 nan 8.290 nan 0.000 0.616 360 S N 2.398 118.112 115.700 0.023 0.000 2.549 360 S HA 0.533 5.003 4.470 0.001 0.000 0.283 360 S C -2.018 172.579 174.600 -0.005 0.000 1.320 360 S CA -0.807 57.413 58.200 0.034 0.000 1.058 360 S CB 1.293 64.521 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 0.037 0.000 1.182 361 P CA 0.060 63.166 63.100 0.009 0.000 0.761 361 P CB 0.265 32.042 31.700 0.130 0.000 0.795 362 A N 4.567 127.395 122.820 0.014 0.000 2.260 362 A HA 0.364 4.684 4.320 0.001 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 0.169 19.236 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 4.971 4.550 0.001 0.000 0.325 363 Y C 1.258 177.141 175.900 -0.029 0.000 1.203 363 Y CA 0.104 58.199 58.100 -0.010 0.000 1.255 363 Y CB 0.486 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 1.812 121.770 120.500 -0.904 0.000 3.951 364 R HA -0.185 4.156 4.340 0.001 0.000 0.352 364 R C -1.028 175.019 176.300 -0.421 0.000 1.178 364 R CA 0.717 56.293 56.100 -0.873 0.000 0.949 364 R CB -1.669 28.034 30.300 -0.996 0.000 1.452 364 R HN 0.421 nan 8.270 nan 0.000 0.540 365 V N 2.383 122.094 119.914 -0.338 0.000 2.488 365 V HA 0.376 4.497 4.120 0.001 0.000 0.277 365 V C -1.823 174.088 176.094 -0.304 0.000 1.046 365 V CA -1.632 60.448 62.300 -0.367 0.000 0.986 365 V CB 1.201 32.704 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 -0.879 176.302 177.300 -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 -1.029 118.796 119.914 -0.148 0.000 3.049 367 V HA 0.987 5.107 4.120 0.001 0.000 0.309 367 V C -1.170 174.873 176.094 -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 2.139 124.919 122.820 -0.066 0.000 2.564 368 A HA 0.914 5.235 4.320 0.001 0.000 0.291 368 A C -0.967 176.597 177.584 -0.032 0.000 1.102 368 A CA -0.226 51.780 52.037 -0.051 0.000 0.660 368 A CB 1.304 20.272 19.000 -0.054 0.000 1.283 368 A HN 1.745 nan 8.150 nan 0.000 0.430 369 V N 0.328 120.223 119.914 -0.031 0.000 3.234 369 V HA 0.318 4.439 4.120 0.001 0.000 0.317 369 V C 1.721 177.800 176.094 -0.025 0.000 1.081 369 V CA 0.189 62.476 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 4.184 4.340 0.001 0.000 0.212 370 Q C 1.909 177.893 176.000 -0.028 0.000 1.008 370 Q CA 2.779 58.569 55.803 -0.022 0.000 0.868 370 Q CB -1.328 27.397 28.738 -0.022 0.000 0.946 370 Q HN 0.946 nan 8.270 nan 0.000 0.418 371 G N 0.445 109.224 108.800 -0.035 0.000 2.628 371 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 371 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 371 G C -0.007 174.873 174.900 -0.033 0.000 1.240 371 G CA 0.888 45.967 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 4.526 4.350 0.001 0.000 0.283 372 E C 0.069 176.648 176.600 -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 31.199 29.700 -0.040 0.000 1.081 372 E HN 0.224 nan 8.360 nan 0.000 0.397 373 D N 1.431 121.812 120.400 -0.030 0.000 2.183 373 D HA -0.115 4.526 4.640 0.001 0.000 0.203 373 D C 1.666 177.947 176.300 -0.033 0.000 0.969 373 D CA 1.119 55.101 54.000 -0.031 0.000 0.842 373 D CB -0.015 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 0.088 114.624 114.554 -0.031 0.000 2.942 374 T HA -0.040 4.311 4.350 0.001 0.000 0.265 374 T C 0.888 175.566 174.700 -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 68.766 68.868 -0.026 0.000 0.883 374 T HN -0.044 nan 8.240 nan 0.000 0.468 375 V N 2.779 122.670 119.914 -0.038 0.000 2.450 375 V HA 0.354 4.475 4.120 0.001 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 32.261 31.823 -0.045 0.000 0.979 375 V HN 0.478 nan 8.190 nan 0.000 0.477 376 Q N 4.399 124.168 119.800 -0.051 0.000 2.495 376 Q HA 0.750 5.091 4.340 0.001 0.000 0.287 376 Q C -1.214 174.749 176.000 -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 0.416 116.071 115.700 -0.075 0.000 2.570 377 S HA 0.455 4.926 4.470 0.001 0.000 0.286 377 S C -1.333 173.211 174.600 -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 2.076 123.241 121.223 -0.098 0.000 2.598 378 L HA 0.595 4.936 4.340 0.001 0.000 0.202 378 L C 0.901 177.708 176.870 -0.106 0.000 1.190 378 L CA 0.134 54.894 54.840 -0.134 0.000 0.869 378 L CB 0.249 42.209 42.059 -0.165 0.000 1.529 378 L HN 0.897 nan 8.230 nan 0.000 0.520 379 T N -0.037 114.442 114.554 -0.125 0.000 2.833 379 T HA 0.405 4.756 4.350 0.001 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 -0.033 0.000 0.963 379 T CB 0.959 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 0.001 0.000 0.224 380 Q C 1.802 177.964 176.000 0.271 0.000 1.094 380 Q CA -0.177 55.781 55.803 0.258 0.000 1.018 380 Q CB 0.284 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 0.956 109.784 108.800 0.047 0.000 2.601 381 G HA2 -0.223 3.737 3.960 0.001 0.000 0.214 381 G HA3 -0.223 3.737 3.960 0.001 0.000 0.214 381 G C 0.256 175.157 174.900 0.001 0.000 1.132 381 G CA 1.001 46.014 45.100 -0.146 0.000 0.761 381 G HN 0.737 nan 8.290 nan 0.000 0.550 382 D N -1.371 119.070 120.400 0.067 0.000 2.402 382 D HA 0.219 4.859 4.640 0.001 0.000 0.216 382 D C 1.439 177.846 176.300 0.177 0.000 1.128 382 D CA -0.170 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 0.043 108.946 108.800 0.172 0.000 2.273 383 G HA2 -0.203 3.757 3.960 0.001 0.000 0.280 383 G HA3 -0.203 3.757 3.960 0.001 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 0.001 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 2.059 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 3.477 126.297 122.820 0.001 0.000 2.343 385 A HA 0.792 5.112 4.320 0.001 0.000 0.308 385 A C -0.695 176.858 177.584 -0.053 0.000 1.092 385 A CA -0.780 51.237 52.037 -0.033 0.000 0.751 385 A CB 1.348 20.316 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 0.001 0.000 0.277 386 K C -1.529 175.020 176.600 -0.085 0.000 1.067 386 K CA 0.114 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 0.001 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 3.485 119.126 115.700 -0.098 0.000 2.519 388 S HA 0.754 5.224 4.470 0.001 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 1.496 64.663 63.200 -0.055 0.000 1.008 388 S HN 0.529 nan 8.310 nan 0.000 0.478 389 I N 0.092 120.636 120.570 -0.043 0.000 2.404 389 I HA 0.535 4.706 4.170 0.001 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 39.436 38.000 -0.046 0.000 1.315 389 I HN 0.503 nan 8.210 nan 0.000 0.446 390 N N 4.377 123.053 118.700 -0.041 0.000 2.442 390 N HA 0.089 4.829 4.740 0.001 0.000 0.265 390 N C -0.178 175.281 175.510 -0.086 0.000 1.138 390 N CA -0.005 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 1.402 115.933 114.554 -0.039 0.000 2.934 391 T HA 0.131 4.481 4.350 0.001 0.000 0.283 391 T C -0.295 174.433 174.700 0.045 0.000 1.005 391 T CA -0.514 61.552 62.100 -0.057 0.000 1.041 391 T CB 0.581 69.454 68.868 0.009 0.000 1.042 391 T HN 0.350 nan 8.240 nan 0.000 0.505 392 H N 3.442 122.542 119.070 0.050 0.000 2.548 392 H HA 0.290 4.847 4.556 0.001 0.000 0.331 392 H C -1.746 173.643 175.328 0.102 0.000 1.093 392 H CA -2.117 53.968 56.048 0.062 0.000 1.367 392 H CB 1.345 31.130 29.762 0.038 0.000 1.455 392 H HN 0.432 nan 8.280 nan 0.000 0.519 393 P HA -0.041 nan 4.420 nan 0.000 0.246 393 P C -0.444 176.918 177.300 0.103 0.000 1.675 393 P CA 0.059 63.238 63.100 0.131 0.000 0.908 393 P CB -0.582 31.179 31.700 0.101 0.000 1.890 394 S N -0.086 115.696 115.700 0.137 0.000 2.449 394 S HA 0.256 4.726 4.470 0.001 0.000 0.310 394 S C 0.536 175.200 174.600 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 2.279 122.119 119.800 0.065 0.000 2.800 395 Q HA 0.191 4.532 4.340 0.001 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 -0.638 28.114 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 4.742 4.320 0.001 0.000 0.255 396 K C -2.635 174.055 176.600 0.149 0.000 0.934 396 K CA -2.130 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 3.345 124.564 121.223 -0.006 0.000 2.272 398 L HA 0.369 4.710 4.340 0.001 0.000 0.284 398 L C 0.017 176.763 176.870 -0.207 0.000 1.045 398 L CA -0.063 54.631 54.840 -0.243 0.000 0.842 398 L CB 0.483 42.072 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 0.001 0.000 0.277 399 S C -0.255 174.264 174.600 -0.136 0.000 1.230 399 S CA -0.450 57.681 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 0.001 0.000 0.297 400 I C -0.027 176.020 176.117 -0.117 0.000 1.011 400 I CA -0.260 60.947 61.300 -0.155 0.000 1.107 400 I CB 2.326 40.212 38.000 -0.190 0.000 1.285 400 I HN 0.435 nan 8.210 nan 0.000 0.436 401 T N 4.287 118.824 114.554 -0.028 0.000 2.937 401 T HA 0.601 4.951 4.350 0.001 0.000 0.297 401 T C -0.384 174.373 174.700 0.094 0.000 0.991 401 T CA -0.509 61.631 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 0.209 0.000 2.966 402 V HA 0.751 4.872 4.120 0.001 0.000 0.317 402 V C 0.202 176.315 176.094 0.032 0.000 1.070 402 V CA -1.012 61.358 62.300 0.117 0.000 1.008 402 V CB 1.849 33.775 31.823 0.171 0.000 1.070 402 V HN 0.829 nan 8.190 nan 0.000 0.457 403 R N 0.679 121.166 120.500 -0.022 0.000 2.566 403 R HA 0.442 4.782 4.340 0.001 0.000 0.271 403 R C -0.536 175.712 176.300 -0.088 0.000 1.071 403 R CA -0.385 55.682 56.100 -0.054 0.000 0.915 403 R CB 1.973 32.250 30.300 -0.038 0.000 1.228 403 R HN 0.918 nan 8.270 nan 0.000 0.449 404 T N 1.635 116.121 114.554 -0.113 0.000 2.855 404 T HA 0.233 4.584 4.350 0.001 0.000 0.314 404 T C 0.138 174.764 174.700 -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 0.397 nan 8.240 nan 0.000 0.546 405 K N 1.055 121.367 120.400 -0.147 0.000 3.350 405 K HA 0.249 4.570 4.320 0.001 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 1.147 33.592 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 4.503 4.320 0.001 0.000 0.280 406 K C -0.032 176.542 176.600 -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 0.001 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 29.112 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 4.132 4.350 0.001 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 1.200 122.400 121.223 -0.040 0.000 2.334 409 L HA 0.355 4.695 4.340 0.001 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 1.065 116.720 115.700 -0.075 0.000 2.592 410 S HA 0.219 4.690 4.470 0.001 0.000 0.271 410 S C 0.771 175.338 174.600 -0.056 0.000 1.326 410 S CA -0.734 57.429 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 1.096 121.269 120.200 -0.045 0.000 2.401 411 E HA -0.104 4.246 4.350 0.001 0.000 0.199 411 E C 1.882 178.457 176.600 -0.042 0.000 1.023 411 E CA 1.074 57.450 56.400 -0.041 0.000 0.859 411 E CB -0.587 29.092 29.700 -0.034 0.000 0.780 411 E HN 0.795 nan 8.360 nan 0.000 0.523 412 A N 0.907 123.698 122.820 -0.049 0.000 1.935 412 A HA -0.071 4.250 4.320 0.001 0.000 0.214 412 A C 1.933 179.487 177.584 -0.050 0.000 1.178 412 A CA 0.515 52.522 52.037 -0.051 0.000 0.640 412 A CB -0.088 18.871 19.000 -0.069 0.000 0.825 412 A HN 0.105 nan 8.150 nan 0.000 0.447 413 E N 0.312 120.472 120.200 -0.067 0.000 2.338 413 E HA -0.077 4.274 4.350 0.001 0.000 0.197 413 E C 0.185 176.745 176.600 -0.067 0.000 1.007 413 E CA 0.230 56.575 56.400 -0.091 0.000 0.849 413 E CB 0.016 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 0.055 119.829 119.800 -0.043 0.000 2.394 414 Q HA 0.356 4.697 4.340 0.001 0.000 0.248 414 Q C -0.387 175.596 176.000 -0.029 0.000 0.992 414 Q CA 0.038 55.828 55.803 -0.022 0.000 0.888 414 Q CB 1.405 30.122 28.738 -0.035 0.000 1.257 414 Q HN 0.019 nan 8.270 nan 0.000 0.462 415 A N 1.331 124.133 122.820 -0.029 0.000 2.342 415 A HA 0.682 5.002 4.320 0.001 0.000 0.323 415 A C -0.089 177.447 177.584 -0.080 0.000 1.125 415 A CA -0.402 51.602 52.037 -0.056 0.000 0.785 415 A CB 1.233 20.194 19.000 -0.064 0.000 1.221 415 A HN 0.753 nan 8.150 nan 0.000 0.463 416 T N -0.511 113.997 114.554 -0.076 0.000 2.888 416 T HA 0.902 5.252 4.350 0.001 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 1.014 nan 8.240 nan 0.000 0.533 417 R N -0.615 119.865 120.500 -0.035 0.000 2.664 417 R HA 0.603 4.943 4.340 0.001 0.000 0.260 417 R C -1.787 174.698 176.300 0.308 0.000 1.062 417 R CA -0.259 55.848 56.100 0.011 0.000 0.902 417 R CB 1.729 31.871 30.300 -0.263 0.000 1.258 417 R HN 0.947 nan 8.270 nan 0.000 0.465 418 T N 3.976 118.746 114.554 0.362 0.000 2.876 418 T HA 0.694 5.045 4.350 0.001 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 70.108 68.868 0.104 0.000 1.021 418 T HN 0.620 nan 8.240 nan 0.000 0.458 419 M N 1.300 120.805 119.600 -0.158 0.000 2.691 419 M HA 0.742 5.222 4.480 0.001 0.000 0.293 419 M C -1.376 174.805 176.300 -0.200 0.000 1.259 419 M CA -1.044 54.109 55.300 -0.243 0.000 0.827 419 M CB 2.364 34.556 32.600 -0.680 0.000 1.753 419 M HN 0.418 nan 8.290 nan 0.000 0.465 420 Q N 1.100 120.821 119.800 -0.132 0.000 2.290 420 Q HA 0.750 5.091 4.340 0.001 0.000 0.269 420 Q C -1.901 174.053 176.000 -0.077 0.000 1.016 420 Q CA -0.478 55.271 55.803 -0.091 0.000 0.754 420 Q CB 2.329 31.048 28.738 -0.031 0.000 1.247 420 Q HN 0.917 nan 8.270 nan 0.000 0.451 421 A N 5.034 127.802 122.820 -0.085 0.000 2.276 421 A HA 0.641 4.962 4.320 0.001 0.000 0.316 421 A C -0.850 176.872 177.584 0.231 0.000 1.229 421 A CA -0.579 51.450 52.037 -0.013 0.000 0.851 421 A CB 0.496 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 0.389 0.000 2.343 422 L HA 0.418 4.759 4.340 0.001 0.000 0.275 422 L C -2.321 174.642 176.870 0.154 0.000 1.056 422 L CA -2.192 52.864 54.840 0.361 0.000 0.804 422 L CB 1.388 43.652 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 -0.493 0.000 0.923 424 Y N 2.161 122.188 120.300 -0.455 0.000 2.605 424 Y HA 0.111 4.662 4.550 0.001 0.000 0.336 424 Y C 0.674 176.547 175.900 -0.044 0.000 1.111 424 Y CA -0.012 57.956 58.100 -0.219 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 6.317 121.735 115.700 -0.469 0.000 2.416 425 S HA 0.213 4.683 4.470 0.001 0.000 0.302 425 S C 0.310 174.601 174.600 -0.516 0.000 1.120 425 S CA -0.301 57.672 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 2.031 116.346 114.554 -0.399 0.000 2.689 426 T HA 0.372 4.723 4.350 0.001 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 68.913 68.868 -0.346 0.000 1.113 426 T HN 0.307 nan 8.240 nan 0.000 0.522 427 V N 1.336 121.099 119.914 -0.252 0.000 2.461 427 V HA 0.508 4.629 4.120 0.001 0.000 0.275 427 V C 1.581 177.565 176.094 -0.183 0.000 1.047 427 V CA 0.594 62.759 62.300 -0.225 0.000 0.955 427 V CB 0.033 31.691 31.823 -0.275 0.000 0.988 427 V HN 1.366 nan 8.190 nan 0.000 0.471 428 G N 5.006 113.718 108.800 -0.147 0.000 2.233 428 G HA2 -0.331 3.630 3.960 0.001 0.000 0.270 428 G HA3 -0.331 3.630 3.960 0.001 0.000 0.270 428 G C 0.516 175.347 174.900 -0.115 0.000 1.011 428 G CA 0.517 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 0.001 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 -0.554 115.045 115.700 -0.170 0.000 2.453 430 S HA -0.068 4.403 4.470 0.001 0.000 0.231 430 S C 0.988 175.469 174.600 -0.198 0.000 1.005 430 S CA 0.955 59.053 58.200 -0.169 0.000 0.949 430 S CB 0.234 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 0.786 119.302 118.700 -0.306 0.000 2.901 431 N HA -0.110 4.631 4.740 0.001 0.000 0.248 431 N C -1.642 173.504 175.510 -0.607 0.000 1.044 431 N CA 0.861 53.656 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 0.847 119.231 118.700 -0.526 0.000 2.444 432 N HA 0.367 5.107 4.740 0.001 0.000 0.271 432 N C -0.449 174.872 175.510 -0.314 0.000 1.069 432 N CA 0.273 53.148 53.050 -0.292 0.000 0.965 432 N CB 0.355 38.793 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 0.001 0.000 0.343 433 Y C -0.460 175.615 175.900 0.293 0.000 1.036 433 Y CA -1.195 57.051 58.100 0.243 0.000 1.065 433 Y CB 1.446 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 1.858 123.302 121.223 0.368 0.000 2.436 434 L HA 0.575 4.916 4.340 0.001 0.000 0.268 434 L C -1.806 175.164 176.870 0.168 0.000 0.974 434 L CA -0.512 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 0.663 5.220 4.556 0.001 0.000 0.353 435 H C -1.584 173.661 175.328 -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 4.748 125.553 121.223 -0.696 0.000 2.313 436 L HA 0.304 4.644 4.340 0.001 0.000 0.273 436 L C -0.261 176.102 176.870 -0.846 0.000 1.028 436 L CA -0.699 53.708 54.840 -0.722 0.000 0.871 436 L CB 1.003 42.718 42.059 -0.574 0.000 1.242 436 L HN 0.640 nan 8.230 nan 0.000 0.434 437 S N 2.107 117.371 115.700 -0.726 0.000 2.416 437 S HA 0.533 5.003 4.470 0.001 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 0.218 nan 8.310 nan 0.000 0.495 438 V N 4.942 124.751 119.914 -0.176 0.000 2.448 438 V HA 0.325 4.445 4.120 0.001 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 4.672 125.860 121.223 -0.059 0.000 2.601 439 L HA 0.319 4.659 4.340 0.001 0.000 0.277 439 L C 0.200 177.041 176.870 -0.048 0.000 1.219 439 L CA 0.723 55.536 54.840 -0.045 0.000 0.915 439 L CB -0.391 41.648 42.059 -0.032 0.000 1.160 439 L HN 0.512 nan 8.230 nan 0.000 0.494 440 R N 3.398 123.866 120.500 -0.052 0.000 2.320 440 R HA 0.588 4.929 4.340 0.001 0.000 0.319 440 R C -0.272 176.000 176.300 -0.047 0.000 0.969 440 R CA -0.054 56.010 56.100 -0.060 0.000 0.857 440 R CB 1.385 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 -1.935 112.597 114.554 -0.038 0.000 2.591 441 T HA 0.303 4.653 4.350 0.001 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 69.824 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 0.001 0.000 0.279 442 E C -0.398 176.192 176.600 -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 29.997 29.700 -0.021 0.000 1.056 442 E HN 0.342 nan 8.360 nan 0.000 0.399 443 L N 3.846 125.065 121.223 -0.007 0.000 2.426 443 L HA 0.242 4.582 4.340 0.001 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 0.308 42.389 42.059 0.037 0.000 1.112 443 L HN 0.354 nan 8.230 nan 0.000 0.465 444 R N 2.856 123.343 120.500 -0.022 0.000 2.673 444 R HA 0.419 4.760 4.340 0.001 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 1.534 31.824 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 -0.030 0.000 1.193 445 P CA 0.931 64.014 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 2.225 110.994 108.800 -0.052 0.000 2.475 446 G HA2 -0.196 3.764 3.960 0.001 0.000 0.209 446 G HA3 -0.196 3.764 3.960 0.001 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 1.189 121.354 120.200 -0.058 0.000 2.436 447 E HA 0.386 4.736 4.350 0.001 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 0.692 30.362 29.700 -0.050 0.000 0.950 447 E HN 0.153 nan 8.360 nan 0.000 0.444 448 T N 2.566 117.079 114.554 -0.068 0.000 2.770 448 T HA 0.366 4.717 4.350 0.001 0.000 0.283 448 T C -1.098 173.562 174.700 -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 5.972 127.145 121.223 -0.084 0.000 2.295 449 L HA 0.612 4.953 4.340 0.001 0.000 0.285 449 L C -0.431 176.418 176.870 -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 3.937 122.623 118.700 -0.022 0.000 2.419 450 N HA 0.324 5.064 4.740 0.001 0.000 0.264 450 N C -1.141 174.358 175.510 -0.018 0.000 1.031 450 N CA -0.264 52.780 53.050 -0.010 0.000 0.951 450 N CB 1.799 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 0.001 0.000 0.269 451 V C 0.197 176.265 176.094 -0.044 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 3.895 122.530 118.700 -0.108 0.000 2.438 452 N HA 0.231 4.971 4.740 0.001 0.000 0.267 452 N C -0.721 174.680 175.510 -0.182 0.000 1.222 452 N CA 0.348 53.366 53.050 -0.053 0.000 0.930 452 N CB 0.201 38.652 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 4.778 4.527 0.001 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 5.936 127.189 121.223 0.051 0.000 2.280 454 L HA 0.495 4.836 4.340 0.001 0.000 0.287 454 L C -1.138 175.861 176.870 0.215 0.000 1.023 454 L CA -1.037 53.889 54.840 0.143 0.000 0.819 454 L CB 1.009 43.159 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 4.887 4.340 0.001 0.000 0.288 455 L C -0.424 176.568 176.870 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 6.773 127.421 120.500 0.246 0.000 2.335 456 R HA 0.739 5.080 4.340 0.001 0.000 0.302 456 R C -1.452 174.953 176.300 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 0.298 119.962 119.600 0.108 0.000 2.605 457 M HA 0.372 4.852 4.480 0.001 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 1.722 34.344 32.600 0.037 0.000 1.732 457 M HN 0.273 nan 8.290 nan 0.000 0.504 458 D N 2.173 122.608 120.400 0.057 0.000 2.487 458 D HA 0.000 4.641 4.640 0.001 0.000 0.243 458 D C 0.843 177.184 176.300 0.069 0.000 1.154 458 D CA -0.050 53.988 54.000 0.064 0.000 0.876 458 D CB 0.813 41.657 40.800 0.073 0.000 1.161 458 D HN 0.901 nan 8.370 nan 0.000 0.478 459 R N 2.220 122.740 120.500 0.033 0.000 2.276 459 R HA -0.214 4.127 4.340 0.001 0.000 0.243 459 R C 1.803 178.092 176.300 -0.019 0.000 1.161 459 R CA 1.286 57.391 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 1.920 124.722 122.820 -0.029 0.000 1.894 460 A HA -0.255 4.065 4.320 0.001 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 -0.198 0.000 0.660 460 A CB -0.755 18.104 19.000 -0.235 0.000 0.835 460 A HN 0.741 nan 8.150 nan 0.000 0.461 461 H N -1.751 117.289 119.070 -0.051 0.000 2.592 461 H HA 0.326 4.883 4.556 0.001 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 0.066 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 1.718 121.928 120.200 0.015 0.000 2.085 462 E HA -0.205 4.145 4.350 0.001 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 0.783 123.569 122.820 -0.057 0.000 2.067 463 A HA -0.158 4.162 4.320 0.001 0.000 0.219 463 A C 1.955 179.495 177.584 -0.073 0.000 1.158 463 A CA 1.319 53.320 52.037 -0.059 0.000 0.661 463 A CB -0.283 18.687 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 0.001 0.000 0.209 464 K C 0.160 176.672 176.600 -0.148 0.000 1.046 464 K CA 0.526 56.765 56.287 -0.080 0.000 0.934 464 K CB -0.360 32.115 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 4.013 4.170 0.001 0.000 0.293 465 I C 1.193 177.110 176.117 -0.333 0.000 1.218 465 I CA 0.931 62.004 61.300 -0.380 0.000 1.393 465 I CB 0.077 37.760 38.000 -0.528 0.000 1.394 465 I HN 0.182 nan 8.210 nan 0.000 0.541 466 R N 5.807 126.097 120.500 -0.349 0.000 2.279 466 R HA 0.164 4.505 4.340 0.001 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 0.063 30.379 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 0.558 5.109 4.550 0.001 0.000 0.333 467 Y C -1.516 174.207 175.900 -0.295 0.000 1.125 467 Y CA -2.249 55.723 58.100 -0.214 0.000 1.039 467 Y CB 0.268 38.689 38.460 -0.065 0.000 1.331 467 Y HN -0.217 nan 8.280 nan 0.000 0.456 468 Y N 1.070 121.489 120.300 0.199 0.000 2.330 468 Y HA 0.604 5.154 4.550 0.001 0.000 0.336 468 Y C 0.108 176.199 175.900 0.319 0.000 1.036 468 Y CA -0.755 57.475 58.100 0.217 0.000 1.125 468 Y CB 2.256 40.787 38.460 0.118 0.000 1.194 468 Y HN 0.705 nan 8.280 nan 0.000 0.469 469 T N 4.972 119.797 114.554 0.451 0.000 2.756 469 T HA 0.351 4.701 4.350 0.001 0.000 0.290 469 T C -1.033 173.990 174.700 0.539 0.000 0.985 469 T CA -0.535 61.806 62.100 0.401 0.000 0.955 469 T CB -0.365 68.710 68.868 0.344 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 0.001 0.000 0.337 470 Y C -1.551 174.527 175.900 0.296 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 3.597 125.073 121.223 0.422 0.000 2.415 471 L HA 0.549 4.889 4.340 0.001 0.000 0.256 471 L C -1.138 175.911 176.870 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 2.225 122.929 120.570 0.222 0.000 2.411 472 I HA 0.398 4.569 4.170 0.001 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 1.626 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 0.001 0.000 0.344 473 M C -0.040 176.288 176.300 0.047 0.000 1.161 473 M CA 0.101 55.430 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 0.922 119.624 118.700 0.003 0.000 2.635 474 N HA 0.081 4.821 4.740 0.001 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 39.756 38.487 -0.044 0.000 1.677 474 N HN 0.618 nan 8.380 nan 0.000 0.514 475 K N 1.889 122.314 120.400 0.041 0.000 3.003 475 K HA -0.230 4.090 4.320 0.001 0.000 0.257 475 K C 0.623 177.279 176.600 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 31.095 32.500 0.179 0.000 1.279 475 K HN 0.964 nan 8.250 nan 0.000 0.479 476 G N 0.276 109.094 108.800 0.031 0.000 2.249 476 G HA2 -0.374 3.586 3.960 0.001 0.000 0.273 476 G HA3 -0.374 3.586 3.960 0.001 0.000 0.273 476 G C -0.064 174.829 174.900 -0.012 0.000 1.036 476 G CA 0.991 46.095 45.100 0.007 0.000 0.824 476 G HN 0.695 nan 8.290 nan 0.000 0.504 477 R N -1.682 118.811 120.500 -0.011 0.000 2.817 477 R HA 0.785 5.126 4.340 0.001 0.000 0.268 477 R C -0.408 175.876 176.300 -0.027 0.000 1.027 477 R CA -1.366 54.716 56.100 -0.030 0.000 0.928 477 R CB 1.009 31.287 30.300 -0.035 0.000 1.228 477 R HN 0.083 nan 8.270 nan 0.000 0.469 478 L N 2.525 123.727 121.223 -0.035 0.000 2.361 478 L HA 0.174 4.515 4.340 0.001 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 3.785 124.968 121.223 -0.066 0.000 2.515 479 L HA 0.323 4.664 4.340 0.001 0.000 0.223 479 L C 0.267 177.073 176.870 -0.107 0.000 1.079 479 L CA 0.877 55.637 54.840 -0.133 0.000 0.857 479 L CB 0.162 42.060 42.059 -0.267 0.000 1.050 479 L HN 0.568 nan 8.230 nan 0.000 0.476 480 K N -0.514 119.864 120.400 -0.035 0.000 2.598 480 K HA 0.658 4.979 4.320 0.001 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 0.076 0.000 1.401 480 K HN -0.063 nan 8.250 nan 0.000 0.415 481 A N 1.827 124.626 122.820 -0.034 0.000 2.414 481 A HA 0.755 5.076 4.320 0.001 0.000 0.286 481 A C -0.754 176.630 177.584 -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 4.675 3.960 0.001 0.000 0.284 482 G HA3 0.714 4.675 3.960 0.001 0.000 0.284 482 G C -1.149 173.330 174.900 -0.701 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 -0.064 120.353 120.500 -0.139 0.000 2.637 483 R HA 0.488 4.828 4.340 0.001 0.000 0.291 483 R C -1.249 175.222 176.300 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 2.209 122.171 119.800 0.270 0.000 2.357 484 Q HA 0.276 4.616 4.340 0.001 0.000 0.266 484 Q C -0.651 175.402 176.000 0.089 0.000 1.021 484 Q CA -0.698 55.150 55.803 0.076 0.000 0.784 484 Q CB 1.471 30.022 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 4.767 4.120 0.001 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 0.063 0.000 1.098 485 V CB 1.247 33.095 31.823 0.042 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.495 122.002 120.500 0.011 0.000 2.771 486 R HA 0.570 4.911 4.340 0.001 0.000 0.274 486 R C -1.346 174.943 176.300 -0.019 0.000 0.987 486 R CA -0.663 55.433 56.100 -0.008 0.000 0.908 486 R CB 2.193 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 2.772 122.968 120.200 -0.007 0.000 2.238 487 E HA 0.382 4.732 4.350 0.001 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 1.189 64.272 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 0.838 109.633 108.800 -0.008 0.000 2.284 489 G HA2 -0.281 3.680 3.960 0.001 0.000 0.247 489 G HA3 -0.281 3.680 3.960 0.001 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 0.364 120.177 119.800 0.022 0.000 2.304 490 Q HA 0.452 4.793 4.340 0.001 0.000 0.260 490 Q C 0.367 176.407 176.000 0.066 0.000 0.965 490 Q CA 0.049 55.880 55.803 0.046 0.000 0.898 490 Q CB 0.839 29.607 28.738 0.051 0.000 1.196 490 Q HN 0.291 nan 8.270 nan 0.000 0.402 491 D N 1.087 121.539 120.400 0.086 0.000 2.455 491 D HA 0.094 4.734 4.640 0.001 0.000 0.228 491 D C -0.817 175.572 176.300 0.149 0.000 1.070 491 D CA 0.172 54.242 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 1.692 122.988 121.223 0.123 0.000 2.313 492 L HA 0.484 4.824 4.340 0.001 0.000 0.283 492 L C -0.927 176.021 176.870 0.131 0.000 1.013 492 L CA -0.940 53.977 54.840 0.128 0.000 0.816 492 L CB 1.559 43.674 42.059 0.094 0.000 1.236 492 L HN -0.139 nan 8.230 nan 0.000 0.419 493 V N 3.106 123.121 119.914 0.168 0.000 2.709 493 V HA 0.752 4.872 4.120 0.001 0.000 0.308 493 V C -0.718 175.473 176.094 0.162 0.000 1.062 493 V CA -0.813 61.563 62.300 0.128 0.000 0.901 493 V CB 1.650 33.532 31.823 0.100 0.000 1.003 493 V HN 0.398 nan 8.190 nan 0.000 0.425 494 V N 4.980 124.957 119.914 0.105 0.000 2.435 494 V HA 0.520 4.640 4.120 0.001 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 8.555 129.865 121.223 0.145 0.000 2.265 495 L HA 0.632 4.973 4.340 0.001 0.000 0.289 495 L C -2.496 174.384 176.870 0.017 0.000 1.033 495 L CA -2.242 52.637 54.840 0.065 0.000 0.814 495 L CB 1.422 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 -0.960 176.313 177.300 -0.045 0.000 1.319 496 P CA -0.280 62.807 63.100 -0.021 0.000 0.885 496 P CB 0.480 32.174 31.700 -0.009 0.000 1.015 497 L N 4.499 125.679 121.223 -0.071 0.000 2.272 497 L HA 0.272 4.612 4.340 0.001 0.000 0.284 497 L C 0.255 177.025 176.870 -0.167 0.000 1.045 497 L CA -0.336 54.431 54.840 -0.121 0.000 0.842 497 L CB -0.040 41.928 42.059 -0.151 0.000 1.224 497 L HN 0.256 nan 8.230 nan 0.000 0.430 498 S N 5.290 120.914 115.700 -0.127 0.000 2.568 498 S HA 0.438 4.909 4.470 0.001 0.000 0.282 498 S C 0.047 174.440 174.600 -0.345 0.000 1.338 498 S CA -0.561 57.552 58.200 -0.144 0.000 1.045 498 S CB 0.977 64.149 63.200 -0.046 0.000 0.873 498 S HN 0.428 nan 8.310 nan 0.000 0.516 499 I N 3.403 123.747 120.570 -0.377 0.000 2.464 499 I HA 0.236 4.406 4.170 0.001 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 0.661 38.338 38.000 -0.539 0.000 1.274 499 I HN 0.952 nan 8.210 nan 0.000 0.469 500 T N 0.503 115.064 114.554 0.011 0.000 2.862 500 T HA 0.247 4.598 4.350 0.001 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 1.125 70.125 68.868 0.219 0.000 1.072 500 T HN 0.619 nan 8.240 nan 0.000 0.538 501 T N -1.450 113.201 114.554 0.161 0.000 2.946 501 T HA -0.113 4.238 4.350 0.001 0.000 0.271 501 T C 0.843 175.627 174.700 0.139 0.000 1.104 501 T CA 1.238 63.418 62.100 0.133 0.000 1.114 501 T CB -0.755 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 0.334 120.813 120.400 0.132 0.000 2.378 502 D HA 0.107 4.747 4.640 0.001 0.000 0.227 502 D C 0.917 177.143 176.300 -0.123 0.000 1.012 502 D CA 0.365 54.357 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 0.516 nan 8.370 nan 0.000 0.532 503 F N 0.292 120.224 119.950 -0.031 0.000 2.619 503 F HA 0.224 4.751 4.527 0.001 0.000 0.293 503 F C 1.130 176.944 175.800 0.022 0.000 1.119 503 F CA -0.274 57.719 58.000 -0.012 0.000 1.445 503 F CB 0.155 39.105 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 4.122 4.170 0.001 0.000 0.287 504 I C -1.395 174.524 176.117 -0.328 0.000 1.188 504 I CA -1.128 60.070 61.300 -0.170 0.000 1.427 504 I CB 0.262 38.095 38.000 -0.278 0.000 1.365 504 I HN -0.098 nan 8.210 nan 0.000 0.585 505 P HA -0.005 nan 4.420 nan 0.000 0.226 505 P C -0.105 177.107 177.300 -0.147 0.000 1.161 505 P CA 0.531 63.323 63.100 -0.513 0.000 0.804 505 P CB 0.356 31.668 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 0.001 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 0.768 63.924 63.200 -0.073 0.000 1.105 506 S HN 0.051 nan 8.310 nan 0.000 0.468 507 F N 0.251 120.210 119.950 0.016 0.000 2.563 507 F HA 0.807 5.335 4.527 0.001 0.000 0.316 507 F C -0.321 175.482 175.800 0.005 0.000 1.076 507 F CA -1.120 56.892 58.000 0.021 0.000 0.921 507 F CB 1.462 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 2.270 122.822 120.500 0.087 0.000 2.474 508 R HA 0.669 5.009 4.340 0.001 0.000 0.295 508 R C -1.757 174.676 176.300 0.223 0.000 0.980 508 R CA -1.180 54.943 56.100 0.038 0.000 0.934 508 R CB 2.082 32.359 30.300 -0.039 0.000 1.101 508 R HN 0.789 nan 8.270 nan 0.000 0.469 509 L N 3.975 125.296 121.223 0.163 0.000 2.343 509 L HA 0.375 4.715 4.340 0.001 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 2.832 122.810 119.914 0.106 0.000 2.407 510 V HA 0.996 5.117 4.120 0.001 0.000 0.291 510 V C -0.029 176.157 176.094 0.154 0.000 1.018 510 V CA -0.434 61.871 62.300 0.009 0.000 0.842 510 V CB 0.901 32.614 31.823 -0.182 0.000 0.996 510 V HN 0.949 nan 8.190 nan 0.000 0.426 511 A N 5.385 128.307 122.820 0.170 0.000 2.337 511 A HA 0.986 5.306 4.320 0.001 0.000 0.329 511 A C -0.893 176.931 177.584 0.400 0.000 1.146 511 A CA -0.731 51.538 52.037 0.386 0.000 0.800 511 A CB 1.388 20.636 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 5.279 4.550 0.001 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 -0.010 120.315 120.300 0.041 0.000 2.659 513 Y HA 0.908 5.459 4.550 0.001 0.000 0.333 513 Y C -0.850 174.929 175.900 -0.203 0.000 1.064 513 Y CA -1.238 56.710 58.100 -0.254 0.000 1.141 513 Y CB 1.741 40.064 38.460 -0.227 0.000 1.316 513 Y HN 0.891 nan 8.280 nan 0.000 0.509 514 T N 2.492 117.015 114.554 -0.051 0.000 2.923 514 T HA 0.721 5.071 4.350 0.001 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 0.977 69.738 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 0.001 0.000 0.266 515 L C -1.851 174.978 176.870 -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 0.018 120.558 120.570 -0.050 0.000 2.412 516 I HA 1.030 5.200 4.170 0.001 0.000 0.296 516 I C 0.068 176.179 176.117 -0.010 0.000 0.987 516 I CA 0.416 61.692 61.300 -0.039 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 2.920 111.689 108.800 -0.052 0.000 2.489 517 G HA2 0.673 4.634 3.960 0.001 0.000 0.305 517 G HA3 0.673 4.634 3.960 0.001 0.000 0.305 517 G C -0.193 174.650 174.900 -0.094 0.000 1.311 517 G CA -0.134 44.926 45.100 -0.067 0.000 0.813 517 G HN 1.661 nan 8.290 nan 0.000 0.480 518 A N -0.600 122.196 122.820 -0.040 0.000 5.078 518 A HA -0.092 4.228 4.320 0.001 0.000 0.342 518 A C 1.431 179.045 177.584 0.049 0.000 1.749 518 A CA 3.309 55.361 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 -0.305 115.392 115.700 -0.005 0.000 2.150 519 S HA 0.573 5.043 4.470 0.001 0.000 0.171 519 S C 0.961 175.551 174.600 -0.015 0.000 1.620 519 S CA 0.816 59.013 58.200 -0.004 0.000 1.190 519 S CB 0.183 63.375 63.200 -0.013 0.000 1.102 519 S HN 2.639 nan 8.310 nan 0.000 0.464 520 G N 1.707 110.503 108.800 -0.006 0.000 2.421 520 G HA2 -0.285 3.676 3.960 0.001 0.000 0.300 520 G HA3 -0.285 3.676 3.960 0.001 0.000 0.300 520 G C -0.219 174.662 174.900 -0.032 0.000 0.974 520 G CA 0.544 45.635 45.100 -0.015 0.000 1.062 520 G HN 0.827 nan 8.290 nan 0.000 0.514 521 Q N -1.251 118.519 119.800 -0.049 0.000 2.322 521 Q HA 0.586 4.926 4.340 0.001 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 2.781 123.234 120.500 -0.079 0.000 2.296 522 R HA 0.175 4.516 4.340 0.001 0.000 0.323 522 R C -1.017 175.208 176.300 -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 30.645 30.300 -0.051 0.000 0.991 522 R HN 0.647 nan 8.270 nan 0.000 0.448 523 E N 2.568 122.691 120.200 -0.128 0.000 2.263 523 E HA 0.547 4.897 4.350 0.001 0.000 0.264 523 E C -1.280 175.224 176.600 -0.159 0.000 0.923 523 E CA -1.152 55.142 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 2.659 122.430 119.914 -0.239 0.000 2.488 524 V HA 0.344 4.465 4.120 0.001 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 3.234 123.012 119.914 -0.227 0.000 2.581 525 V HA 1.015 5.136 4.120 0.001 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 1.639 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 5.222 4.320 0.001 0.000 0.291 526 A C -1.795 175.703 177.584 -0.143 0.000 1.159 526 A CA -0.500 51.547 52.037 0.018 0.000 0.679 526 A CB 2.138 21.256 19.000 0.197 0.000 1.285 526 A HN 0.785 nan 8.150 nan 0.000 0.428 527 D N -0.954 119.376 120.400 -0.116 0.000 2.812 527 D HA 0.519 5.160 4.640 0.001 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 -0.151 0.000 0.817 527 D CB 1.687 42.405 40.800 -0.137 0.000 1.694 527 D HN 0.835 nan 8.370 nan 0.000 0.530 528 S N 1.250 116.897 115.700 -0.087 0.000 2.482 528 S HA 0.793 5.263 4.470 0.001 0.000 0.303 528 S C -1.005 173.589 174.600 -0.010 0.000 1.091 528 S CA -0.821 57.347 58.200 -0.054 0.000 1.057 528 S CB 1.863 65.030 63.200 -0.055 0.000 1.031 528 S HN 0.561 nan 8.310 nan 0.000 0.485 529 V N 3.885 123.796 119.914 -0.005 0.000 2.638 529 V HA 0.720 4.840 4.120 0.001 0.000 0.306 529 V C -1.822 174.300 176.094 0.046 0.000 1.052 529 V CA -0.556 61.748 62.300 0.006 0.000 0.885 529 V CB 1.664 33.450 31.823 -0.062 0.000 0.999 529 V HN 1.030 nan 8.190 nan 0.000 0.424 530 W N 7.086 128.293 121.300 -0.154 0.000 2.469 530 W HA 0.774 5.435 4.660 0.001 0.000 0.320 530 W C -1.596 174.744 176.519 -0.297 0.000 1.086 530 W CA -1.215 55.999 57.345 -0.218 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 6.480 126.504 119.914 0.184 0.000 2.488 531 V HA 0.052 4.173 4.120 0.001 0.000 0.293 531 V C -0.467 175.639 176.094 0.021 0.000 1.027 531 V CA -0.889 61.334 62.300 -0.128 0.000 0.862 531 V CB 1.275 32.781 31.823 -0.530 0.000 1.008 531 V HN 0.498 nan 8.190 nan 0.000 0.428 532 D N 3.422 123.868 120.400 0.076 0.000 2.458 532 D HA 0.191 4.831 4.640 0.001 0.000 0.243 532 D C -0.217 176.108 176.300 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 4.961 124.915 119.914 0.067 0.000 2.432 533 V HA 0.093 4.214 4.120 0.001 0.000 0.275 533 V C 0.419 176.493 176.094 -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 4.247 4.320 0.001 0.000 0.269 534 K C -0.191 176.363 176.600 -0.077 0.000 1.182 534 K CA 0.012 56.274 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 0.076 4.717 4.640 0.001 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 0.808 41.439 40.800 -0.281 0.000 1.198 535 D HN 0.721 nan 8.370 nan 0.000 0.446 536 S N -0.322 115.443 115.700 0.109 0.000 2.714 536 S HA 0.121 4.592 4.470 0.001 0.000 0.284 536 S C -0.488 174.350 174.600 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 1.971 121.455 119.300 0.306 0.000 2.401 537 C HA 0.065 4.525 4.460 0.001 0.000 0.386 537 C C 2.453 177.590 174.990 0.245 0.000 1.411 537 C CA 0.463 59.615 59.018 0.223 0.000 1.575 537 C CB -0.881 26.903 27.740 0.074 0.000 2.564 537 C HN 0.790 nan 8.230 nan 0.000 0.580 538 V N 2.739 122.795 119.914 0.238 0.000 2.446 538 V HA 0.128 4.248 4.120 0.001 0.000 0.244 538 V C 1.696 177.858 176.094 0.113 0.000 1.039 538 V CA 1.897 64.314 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 0.131 108.981 108.800 0.084 0.000 3.022 539 G HA2 0.498 4.458 3.960 0.001 0.000 0.157 539 G HA3 0.498 4.458 3.960 0.001 0.000 0.157 539 G C -0.102 174.829 174.900 0.050 0.000 1.468 539 G CA 0.523 45.658 45.100 0.058 0.000 1.058 539 G HN 0.653 nan 8.290 nan 0.000 0.581 540 S N -2.060 113.659 115.700 0.033 0.000 2.618 540 S HA 0.736 5.207 4.470 0.001 0.000 0.277 540 S C -1.744 172.861 174.600 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 65.361 63.200 0.027 0.000 1.127 540 S HN 1.033 nan 8.310 nan 0.000 0.474 541 L N 1.160 122.383 121.223 0.001 0.000 2.588 541 L HA 0.810 5.151 4.340 0.001 0.000 0.263 541 L C -1.744 175.122 176.870 -0.007 0.000 0.935 541 L CA -0.173 54.662 54.840 -0.009 0.000 0.891 541 L CB 1.726 43.767 42.059 -0.031 0.000 1.318 541 L HN 0.835 nan 8.230 nan 0.000 0.409 542 V N 4.503 124.416 119.914 -0.002 0.000 2.932 542 V HA 0.641 4.761 4.120 0.001 0.000 0.307 542 V C -1.248 174.846 176.094 0.001 0.000 1.147 542 V CA -0.609 61.691 62.300 -0.001 0.000 0.951 542 V CB 2.789 34.614 31.823 0.004 0.000 1.031 542 V HN 0.379 nan 8.190 nan 0.000 0.426 543 V N 5.609 125.524 119.914 0.001 0.000 2.327 543 V HA 0.397 4.517 4.120 0.001 0.000 0.272 543 V C 0.085 176.183 176.094 0.006 0.000 1.019 543 V CA -0.758 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 1.772 122.176 120.400 0.008 0.000 2.583 544 K HA 0.754 5.075 4.320 0.001 0.000 0.263 544 K C 0.419 177.025 176.600 0.011 0.000 1.038 544 K CA -0.622 55.670 56.287 0.009 0.000 1.031 544 K CB 0.746 33.251 32.500 0.008 0.000 1.399 544 K HN 0.353 nan 8.250 nan 0.000 0.531 545 S N -1.562 114.145 115.700 0.011 0.000 2.603 545 S HA 0.283 4.753 4.470 0.001 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 1.714 110.521 108.800 0.011 0.000 2.518 546 G HA2 0.041 4.002 3.960 0.001 0.000 0.213 546 G HA3 0.041 4.002 3.960 0.001 0.000 0.213 546 G C 0.145 175.050 174.900 0.010 0.000 1.226 546 G CA -0.094 45.012 45.100 0.010 0.000 0.822 546 G HN 0.832 nan 8.290 nan 0.000 0.546 547 Q N 1.778 121.584 119.800 0.010 0.000 2.283 547 Q HA 0.162 4.502 4.340 0.001 0.000 0.269 547 Q C 0.952 176.958 176.000 0.009 0.000 1.187 547 Q CA 0.336 56.145 55.803 0.009 0.000 0.922 547 Q CB 1.064 29.807 28.738 0.008 0.000 1.323 547 Q HN 0.189 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 0.001 0.000 0.234 548 S C 0.569 175.173 174.600 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 -0.747 119.458 120.200 0.008 0.000 2.367 549 E HA 0.510 4.860 4.350 0.001 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 31.439 29.700 0.007 0.000 1.252 549 E HN 0.166 nan 8.360 nan 0.000 0.446 550 D N 0.366 120.771 120.400 0.008 0.000 2.926 550 D HA 0.190 4.830 4.640 0.001 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 41.809 40.800 0.009 0.000 1.257 550 D HN 0.406 nan 8.370 nan 0.000 0.428 551 R N 0.588 121.093 120.500 0.008 0.000 2.553 551 R HA 0.477 4.818 4.340 0.001 0.000 0.263 551 R C 0.032 176.338 176.300 0.010 0.000 1.066 551 R CA -0.703 55.403 56.100 0.008 0.000 1.135 551 R CB 0.520 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 1.437 121.245 119.800 0.012 0.000 2.326 552 Q HA -0.029 4.312 4.340 0.001 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 0.031 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 -1.058 176.244 177.300 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 0.630 120.545 119.914 0.001 0.000 2.823 554 V HA 0.349 4.469 4.120 0.001 0.000 0.312 554 V C -2.360 173.732 176.094 -0.003 0.000 1.072 554 V CA -2.219 60.078 62.300 -0.005 0.000 0.937 554 V CB 1.746 33.563 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 0.827 178.127 177.300 -0.000 0.000 1.161 555 P CA 1.833 64.931 63.100 -0.002 0.000 0.768 555 P CB -0.009 31.685 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 0.001 0.000 0.253 556 G HA3 -0.277 3.684 3.960 0.001 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 0.001 0.000 0.244 557 Q C 0.407 176.410 176.000 0.006 0.000 0.969 557 Q CA -0.314 55.491 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 0.476 nan 8.270 nan 0.000 0.461 558 Q N 2.525 122.328 119.800 0.006 0.000 2.314 558 Q HA 0.305 4.646 4.340 0.001 0.000 0.258 558 Q C -0.918 175.087 176.000 0.008 0.000 0.954 558 Q CA 0.073 55.880 55.803 0.007 0.000 0.890 558 Q CB 0.750 29.491 28.738 0.005 0.000 1.210 558 Q HN 0.655 nan 8.270 nan 0.000 0.410 559 M N 1.941 121.547 119.600 0.010 0.000 2.386 559 M HA 0.422 4.903 4.480 0.001 0.000 0.293 559 M C -1.438 174.868 176.300 0.011 0.000 1.120 559 M CA -0.423 54.883 55.300 0.011 0.000 0.909 559 M CB 2.419 35.027 32.600 0.014 0.000 1.661 559 M HN 0.385 nan 8.290 nan 0.000 0.452 560 T N 4.580 119.141 114.554 0.011 0.000 2.771 560 T HA 0.554 4.905 4.350 0.001 0.000 0.291 560 T C -0.873 173.834 174.700 0.012 0.000 0.954 560 T CA -0.412 61.694 62.100 0.011 0.000 1.045 560 T CB 0.831 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 3.602 124.833 121.223 0.012 0.000 2.309 561 L HA 0.554 4.894 4.340 0.001 0.000 0.282 561 L C -0.053 176.824 176.870 0.012 0.000 1.036 561 L CA -0.345 54.502 54.840 0.013 0.000 0.806 561 L CB 1.271 43.339 42.059 0.014 0.000 1.220 561 L HN 0.451 nan 8.230 nan 0.000 0.429 562 K N 5.157 125.564 120.400 0.012 0.000 2.274 562 K HA 0.602 4.922 4.320 0.001 0.000 0.262 562 K C -1.477 175.129 176.600 0.011 0.000 0.961 562 K CA -0.467 55.827 56.287 0.011 0.000 0.833 562 K CB 0.920 33.426 32.500 0.011 0.000 1.102 562 K HN 0.595 nan 8.250 nan 0.000 0.436 563 I N 3.913 124.489 120.570 0.011 0.000 2.420 563 I HA 0.206 4.377 4.170 0.001 0.000 0.282 563 I C -0.653 175.471 176.117 0.012 0.000 1.019 563 I CA -0.573 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 5.177 125.384 120.200 0.012 0.000 2.055 564 E HA 0.602 4.952 4.350 0.001 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 0.001 0.000 0.293 565 G HA3 0.154 4.115 3.960 0.001 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 4.730 4.640 0.001 0.000 0.241 566 D C 0.225 176.567 176.300 0.069 0.000 1.138 566 D CA 0.646 54.679 54.000 0.056 0.000 0.877 566 D CB 0.910 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 0.226 119.303 119.070 0.012 0.000 3.064 567 H HA 0.132 4.688 4.556 0.001 0.000 0.329 567 H C 1.482 176.818 175.328 0.012 0.000 1.020 567 H CA 1.522 57.577 56.048 0.011 0.000 1.402 567 H CB 0.345 30.114 29.762 0.011 0.000 1.379 567 H HN 0.656 nan 8.280 nan 0.000 0.594 568 G N 2.244 110.691 108.800 -0.588 0.000 2.189 568 G HA2 -0.302 3.659 3.960 0.001 0.000 0.267 568 G HA3 -0.302 3.659 3.960 0.001 0.000 0.267 568 G C 0.566 175.374 174.900 -0.153 0.000 0.975 568 G CA 0.514 45.376 45.100 -0.396 0.000 0.644 568 G HN 1.013 nan 8.290 nan 0.000 0.537 569 A N -0.300 122.464 122.820 -0.094 0.000 2.386 569 A HA 0.675 4.996 4.320 0.001 0.000 0.246 569 A C 0.727 178.289 177.584 -0.037 0.000 1.089 569 A CA 0.881 52.893 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 0.543 121.036 120.500 -0.012 0.000 2.460 570 R HA 0.575 4.916 4.340 0.001 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 0.479 nan 8.270 nan 0.000 0.455 571 V N 5.008 124.931 119.914 0.016 0.000 2.581 571 V HA 0.475 4.596 4.120 0.001 0.000 0.303 571 V C -0.460 175.661 176.094 0.045 0.000 1.041 571 V CA -0.823 61.491 62.300 0.023 0.000 0.907 571 V CB 1.705 33.534 31.823 0.010 0.000 0.994 571 V HN 0.647 nan 8.190 nan 0.000 0.442 572 V N 2.904 122.861 119.914 0.072 0.000 2.483 572 V HA 0.674 4.794 4.120 0.001 0.000 0.297 572 V C -0.630 175.509 176.094 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 0.001 0.000 0.269 573 L C -0.311 176.591 176.870 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 0.996 120.945 119.914 0.058 0.000 2.966 574 V HA 0.776 4.897 4.120 0.001 0.000 0.288 574 V C -1.569 174.565 176.094 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 0.080 0.000 1.115 574 V HN 0.863 nan 8.190 nan 0.000 0.436 575 A N 5.389 128.245 122.820 0.061 0.000 2.355 575 A HA 0.943 5.264 4.320 0.001 0.000 0.317 575 A C -1.249 176.377 177.584 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 2.372 122.348 119.914 0.102 0.000 2.525 576 V HA 0.244 4.364 4.120 0.001 0.000 0.299 576 V C -0.387 175.752 176.094 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 33.569 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 4.599 4.640 0.001 0.000 0.243 577 D C 1.116 177.425 176.300 0.015 0.000 1.171 577 D CA 0.525 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 0.001 0.000 0.194 578 K C 1.760 178.434 176.600 0.123 0.000 1.037 578 K CA 0.534 56.982 56.287 0.267 0.000 0.964 578 K CB 0.105 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 0.001 0.000 0.218 579 G HA3 -0.176 3.784 3.960 0.001 0.000 0.218 579 G C 1.480 176.285 174.900 -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 0.839 120.590 119.914 -0.271 0.000 2.231 580 V HA -0.205 3.915 4.120 0.001 0.000 0.248 580 V C 2.457 178.304 176.094 -0.412 0.000 1.054 580 V CA 1.813 63.834 62.300 -0.465 0.000 1.015 580 V CB -0.763 30.652 31.823 -0.680 0.000 0.638 580 V HN 0.358 nan 8.190 nan 0.000 0.444 581 F N -0.045 119.832 119.950 -0.121 0.000 2.529 581 F HA -0.096 4.431 4.527 0.001 0.000 0.297 581 F C 1.950 177.686 175.800 -0.107 0.000 1.114 581 F CA 0.814 58.754 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 -0.731 119.175 119.914 -0.013 0.000 3.406 582 V HA -0.102 4.019 4.120 0.001 0.000 0.263 582 V C 1.940 177.960 176.094 -0.123 0.000 1.172 582 V CA 0.908 63.167 62.300 -0.069 0.000 1.140 582 V CB -0.329 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 -0.373 120.744 121.223 -0.177 0.000 2.357 583 L HA 0.315 4.656 4.340 0.001 0.000 0.211 583 L C 0.731 177.505 176.870 -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 4.817 4.740 0.001 0.000 0.272 584 N C -0.690 174.857 175.510 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 39.842 38.487 -0.075 0.000 1.603 584 N HN 0.082 nan 8.380 nan 0.000 0.526 585 K N 1.271 121.736 120.400 0.109 0.000 2.478 585 K HA 0.329 4.650 4.320 0.001 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 0.001 0.000 0.258 586 K C -0.533 176.134 176.600 0.112 0.000 0.973 586 K CA -0.753 55.585 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 0.097 118.858 118.700 0.102 0.000 2.901 587 N HA -0.158 4.583 4.740 0.001 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 0.001 0.000 0.251 588 K C -0.079 176.573 176.600 0.088 0.000 1.014 588 K CA -0.467 55.893 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 -0.009 nan 8.250 nan 0.000 0.490 589 L N 1.221 122.490 121.223 0.078 0.000 2.326 589 L HA 0.285 4.626 4.340 0.001 0.000 0.278 589 L C -0.556 176.290 176.870 -0.041 0.000 1.092 589 L CA 0.691 55.550 54.840 0.031 0.000 0.810 589 L CB 1.307 43.390 42.059 0.041 0.000 1.153 589 L HN 0.544 nan 8.230 nan 0.000 0.439 590 T N 3.247 117.751 114.554 -0.082 0.000 2.903 590 T HA 0.208 4.559 4.350 0.001 0.000 0.299 590 T C 0.358 174.934 174.700 -0.206 0.000 1.093 590 T CA -0.213 61.821 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 1.023 120.685 119.800 -0.230 0.000 2.230 591 Q HA 0.009 4.349 4.340 0.001 0.000 0.202 591 Q C 1.961 177.744 176.000 -0.361 0.000 0.963 591 Q CA 1.547 57.115 55.803 -0.392 0.000 0.866 591 Q CB -0.148 28.393 28.738 -0.328 0.000 0.931 591 Q HN 0.604 nan 8.270 nan 0.000 0.452 592 S N 0.189 115.820 115.700 -0.116 0.000 2.423 592 S HA -0.070 4.401 4.470 0.001 0.000 0.231 592 S C 1.482 176.088 174.600 0.010 0.000 1.014 592 S CA 0.990 59.212 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 0.906 121.275 120.400 -0.052 0.000 2.155 593 K HA 0.091 4.412 4.320 0.001 0.000 0.203 593 K C 1.831 178.421 176.600 -0.016 0.000 1.052 593 K CA 0.912 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 3.955 4.170 0.001 0.000 0.243 594 I C 1.949 177.957 176.117 -0.182 0.000 1.093 594 I CA 1.248 62.362 61.300 -0.309 0.000 1.380 594 I CB -0.341 37.150 38.000 -0.848 0.000 1.067 594 I HN 0.274 nan 8.210 nan 0.000 0.413 595 W N 1.432 122.698 121.300 -0.056 0.000 2.325 595 W HA -0.281 4.380 4.660 0.001 0.000 0.299 595 W C 2.233 178.748 176.519 -0.005 0.000 1.215 595 W CA 0.929 58.259 57.345 -0.025 0.000 1.244 595 W CB -0.383 29.073 29.460 -0.006 0.000 1.140 595 W HN 0.209 nan 8.180 nan 0.000 0.523 596 D N -0.206 120.319 120.400 0.208 0.000 2.178 596 D HA -0.161 4.480 4.640 0.001 0.000 0.202 596 D C 1.934 178.295 176.300 0.102 0.000 0.974 596 D CA 1.137 55.223 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 -0.329 119.624 119.914 0.064 0.000 2.427 597 V HA -0.164 3.957 4.120 0.001 0.000 0.248 597 V C 2.373 178.436 176.094 -0.052 0.000 1.051 597 V CA 1.126 63.418 62.300 -0.012 0.000 1.048 597 V CB -0.009 31.765 31.823 -0.082 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 -0.016 0.000 2.548 598 V HA -0.125 3.995 4.120 0.001 0.000 0.249 598 V C 2.468 178.667 176.094 0.175 0.000 1.055 598 V CA 1.437 63.807 62.300 0.118 0.000 1.065 598 V CB -0.498 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 0.001 0.000 0.190 599 E C 2.178 178.821 176.600 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 0.001 0.000 0.196 600 K C 1.290 177.954 176.600 0.107 0.000 1.041 600 K CA 0.624 56.964 56.287 0.088 0.000 0.954 600 K CB 0.117 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 0.972 123.884 122.820 0.153 0.000 2.460 601 A HA 0.023 4.344 4.320 0.001 0.000 0.258 601 A C -0.196 177.475 177.584 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 0.397 0.000 1.031 601 A HN 0.075 nan 8.150 nan 0.000 0.512 602 D N 0.360 120.800 120.400 0.066 0.000 2.341 602 D HA 0.248 4.889 4.640 0.001 0.000 0.245 602 D C 1.335 177.638 176.300 0.004 0.000 1.106 602 D CA -0.189 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 0.147 120.712 120.570 -0.009 0.000 3.228 603 I HA 0.304 4.474 4.170 0.001 0.000 0.279 603 I C 1.255 177.369 176.117 -0.006 0.000 1.221 603 I CA -0.394 60.907 61.300 0.001 0.000 1.458 603 I CB -0.123 37.877 38.000 -0.000 0.000 1.105 603 I HN 0.202 nan 8.210 nan 0.000 0.445 604 G N 0.553 109.329 108.800 -0.040 0.000 2.370 604 G HA2 0.350 4.311 3.960 0.001 0.000 0.272 604 G HA3 0.350 4.311 3.960 0.001 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 1.358 119.976 118.600 0.031 0.000 3.336 605 c HA 0.366 4.937 4.570 0.001 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 -0.880 41.666 42.510 0.060 0.000 2.274 605 c HN 0.635 nan 8.230 nan 0.000 0.663 606 T N 1.662 116.291 114.554 0.124 0.000 2.887 606 T HA 0.319 4.669 4.350 0.001 0.000 0.288 606 T C -1.889 172.963 174.700 0.253 0.000 1.021 606 T CA -0.441 61.750 62.100 0.151 0.000 1.000 606 T CB 2.203 71.138 68.868 0.110 0.000 1.034 606 T HN -0.134 nan 8.240 nan 0.000 0.467 607 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 0.684 63.944 63.100 0.265 0.000 0.863 607 P CB 0.187 31.905 31.700 0.030 0.000 0.787 608 G N -2.970 105.916 108.800 0.145 0.000 2.698 608 G HA2 0.513 4.474 3.960 0.001 0.000 0.293 608 G HA3 0.513 4.474 3.960 0.001 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 -2.171 113.583 115.700 0.089 0.000 3.740 609 S HA 0.347 4.817 4.470 0.001 0.000 0.637 609 S C 0.326 175.017 174.600 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 0.001 0.000 0.295 610 G HA3 0.559 4.520 3.960 0.001 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 -0.069 0.000 2.097 611 K HA -0.037 4.284 4.320 0.001 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 0.001 0.000 0.275 612 D C 1.075 177.532 176.300 0.261 0.000 1.130 612 D CA -0.762 53.208 54.000 -0.050 0.000 1.031 612 D CB -0.025 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 -0.535 119.829 120.300 0.108 0.000 2.181 613 Y HA -0.135 4.415 4.550 0.001 0.000 0.284 613 Y C 1.820 177.855 175.900 0.226 0.000 1.179 613 Y CA 1.977 60.216 58.100 0.232 0.000 1.179 613 Y CB -0.577 37.913 38.460 0.050 0.000 0.973 613 Y HN 0.346 nan 8.280 nan 0.000 0.519 614 A N 0.581 122.888 122.820 -0.856 0.000 2.208 614 A HA 0.268 4.589 4.320 0.001 0.000 0.209 614 A C 2.181 179.658 177.584 -0.179 0.000 1.161 614 A CA 0.704 52.253 52.037 -0.815 0.000 0.782 614 A CB -1.064 17.406 19.000 -0.883 0.000 0.816 614 A HN 0.659 nan 8.150 nan 0.000 0.477 615 G N -0.653 108.128 108.800 -0.031 0.000 2.471 615 G HA2 0.038 3.998 3.960 0.001 0.000 0.211 615 G HA3 0.038 3.998 3.960 0.001 0.000 0.211 615 G C 1.404 176.366 174.900 0.103 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 0.638 120.620 119.914 0.114 0.000 2.311 616 V HA -0.300 3.821 4.120 0.001 0.000 0.259 616 V C 2.552 178.603 176.094 -0.072 0.000 1.086 616 V CA 2.197 64.507 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 0.369 nan 8.190 nan 0.000 0.452 617 F N -0.676 119.246 119.950 -0.046 0.000 2.234 617 F HA -0.080 4.448 4.527 0.001 0.000 0.296 617 F C 2.659 178.456 175.800 -0.006 0.000 1.089 617 F CA 1.675 59.653 58.000 -0.036 0.000 1.343 617 F CB -0.347 38.601 39.000 -0.086 0.000 1.040 617 F HN 0.104 nan 8.300 nan 0.000 0.498 618 S N -0.815 114.977 115.700 0.153 0.000 2.501 618 S HA -0.080 4.391 4.470 0.001 0.000 0.220 618 S C 1.596 176.243 174.600 0.078 0.000 0.997 618 S CA 0.715 58.977 58.200 0.102 0.000 0.919 618 S CB -0.293 62.952 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 4.817 4.640 0.001 0.000 0.199 619 D C 1.155 177.481 176.300 0.043 0.000 0.981 619 D CA 1.106 55.149 54.000 0.071 0.000 0.834 619 D CB -0.682 40.175 40.800 0.097 0.000 0.992 619 D HN 0.481 nan 8.370 nan 0.000 0.457 620 A N 0.216 123.046 122.820 0.017 0.000 2.406 620 A HA 0.452 4.773 4.320 0.001 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 0.405 109.210 108.800 0.009 0.000 2.852 621 G HA2 0.470 4.430 3.960 0.001 0.000 0.280 621 G HA3 0.470 4.430 3.960 0.001 0.000 0.280 621 G C -0.377 174.557 174.900 0.056 0.000 0.731 621 G CA 0.063 45.179 45.100 0.027 0.000 2.037 621 G HN 0.503 nan 8.290 nan 0.000 0.560 622 L N 0.710 121.989 121.223 0.092 0.000 2.469 622 L HA 0.624 4.964 4.340 0.001 0.000 0.256 622 L C -0.184 176.805 176.870 0.199 0.000 1.006 622 L CA -1.014 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 0.001 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 2.166 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 1.851 121.687 119.950 -0.191 0.000 2.500 624 F HA 0.567 5.095 4.527 0.001 0.000 0.349 624 F C -0.723 174.954 175.800 -0.203 0.000 1.127 624 F CA -0.245 57.534 58.000 -0.367 0.000 0.998 624 F CB 1.554 39.905 39.000 -1.083 0.000 1.237 624 F HN 0.712 nan 8.300 nan 0.000 0.439 625 T N 4.266 118.596 114.554 -0.372 0.000 2.809 625 T HA 0.467 4.818 4.350 0.001 0.000 0.284 625 T C -0.609 173.912 174.700 -0.298 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 1.469 117.104 115.700 -0.108 0.000 2.607 626 S HA 0.503 4.974 4.470 0.001 0.000 0.303 626 S C 1.600 176.243 174.600 0.071 0.000 1.086 626 S CA -0.330 57.853 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 0.613 nan 8.310 nan 0.000 0.507 627 S N 2.243 118.005 115.700 0.104 0.000 2.368 627 S HA -0.179 4.291 4.470 0.001 0.000 0.226 627 S C 1.659 176.316 174.600 0.094 0.000 1.044 627 S CA 1.749 60.028 58.200 0.131 0.000 1.062 627 S CB -1.513 61.806 63.200 0.198 0.000 0.931 627 S HN 0.765 nan 8.310 nan 0.000 0.440 628 S N 1.023 116.772 115.700 0.082 0.000 2.584 628 S HA 0.315 4.786 4.470 0.001 0.000 0.240 628 S C 1.569 176.208 174.600 0.064 0.000 0.975 628 S CA 0.648 58.885 58.200 0.061 0.000 0.949 628 S CB -0.775 62.453 63.200 0.046 0.000 0.761 628 S HN 1.179 nan 8.310 nan 0.000 0.536 629 G N 0.899 109.747 108.800 0.081 0.000 2.179 629 G HA2 -0.271 3.690 3.960 0.001 0.000 0.260 629 G HA3 -0.271 3.690 3.960 0.001 0.000 0.260 629 G C -0.028 174.934 174.900 0.104 0.000 0.977 629 G CA -0.194 44.951 45.100 0.076 0.000 0.641 629 G HN 0.521 nan 8.290 nan 0.000 0.533 630 Q N 1.614 121.504 119.800 0.150 0.000 2.815 630 Q HA 0.422 4.762 4.340 0.001 0.000 0.235 630 Q C 1.009 177.203 176.000 0.324 0.000 1.354 630 Q CA 0.332 56.274 55.803 0.231 0.000 0.953 630 Q CB 0.031 28.883 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 0.001 0.000 0.205 631 Q C -0.098 175.937 176.000 0.058 0.000 1.001 631 Q CA -0.974 54.914 55.803 0.142 0.000 1.019 631 Q CB 0.527 29.303 28.738 0.063 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 0.001 0.000 0.284 632 T C 0.140 174.827 174.700 -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 3.158 125.963 122.820 -0.025 0.000 2.550 633 A HA 0.091 4.411 4.320 0.001 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 -0.441 18.563 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 0.027 4.367 4.340 0.001 0.000 0.287 634 Q C 0.136 176.144 176.000 0.015 0.000 1.044 634 Q CA 0.496 56.289 55.803 -0.016 0.000 0.918 634 Q CB 0.358 29.051 28.738 -0.075 0.000 1.242 634 Q HN 0.752 nan 8.270 nan 0.000 0.405 635 R N 2.190 122.718 120.500 0.046 0.000 2.255 635 R HA 0.477 4.818 4.340 0.001 0.000 0.326 635 R C -0.626 175.765 176.300 0.153 0.000 0.986 635 R CA 0.253 56.401 56.100 0.080 0.000 0.847 635 R CB 0.574 30.919 30.300 0.074 0.000 1.111 635 R HN 0.620 nan 8.270 nan 0.000 0.452 636 A N 4.015 126.925 122.820 0.151 0.000 2.605 636 A HA 0.168 4.489 4.320 0.001 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 -0.102 120.140 120.200 0.070 0.000 2.176 637 E HA 0.631 4.982 4.350 0.001 0.000 0.267 637 E C 0.594 177.205 176.600 0.019 0.000 0.893 637 E CA -0.522 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 0.001 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 4.565 4.340 0.001 0.000 0.229 639 Q C -0.154 175.864 176.000 0.030 0.000 0.984 639 Q CA -0.455 55.362 55.803 0.024 0.000 0.911 639 Q CB 1.096 29.848 28.738 0.023 0.000 1.217 639 Q HN 0.196 nan 8.270 nan 0.000 0.501 640 c N 1.898 120.520 118.600 0.036 0.000 2.705 640 c HA 0.169 4.740 4.570 0.001 0.000 0.348 640 c C -1.823 172.292 174.090 0.042 0.000 1.386 640 c CA -0.834 55.520 56.329 0.041 0.000 2.361 640 c CB -0.875 41.662 42.510 0.046 0.000 2.486 640 c HN 0.653 nan 8.230 nan 0.000 0.728 641 P HA 0.050 nan 4.420 nan 0.000 0.257 641 P C -0.566 176.759 177.300 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 4.722 124.544 119.800 0.037 0.000 2.618 642 Q HA -0.081 4.259 4.340 0.001 0.000 0.344 642 Q C -1.629 174.394 176.000 0.038 0.000 1.073 642 Q CA -0.822 55.002 55.803 0.034 0.000 1.105 642 Q CB -0.638 28.118 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 -0.589 176.736 177.300 0.042 0.000 1.173 643 P CA 0.530 63.656 63.100 0.043 0.000 0.768 643 P CB 0.495 32.220 31.700 0.043 0.000 0.758 644 A N 3.314 126.160 122.820 0.044 0.000 2.545 644 A HA 0.618 4.938 4.320 0.001 0.000 0.277 644 A C 0.683 178.295 177.584 0.046 0.000 1.301 644 A CA 0.455 52.518 52.037 0.042 0.000 0.935 644 A CB -0.735 18.290 19.000 0.042 0.000 1.093 644 A HN 0.757 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 4.321 4.320 0.001 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