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 3g6j_1_C DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKSEKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.525 174.600 -0.125 0.000 1.055 1 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 2 P HA 0.072 nan 4.420 nan 0.000 0.256 2 P C -0.552 176.394 177.300 -0.589 0.000 1.173 2 P CA 0.190 63.073 63.100 -0.362 0.000 0.768 2 P CB -0.050 31.441 31.700 -0.347 0.000 0.758 3 M N 4.711 123.997 119.600 -0.523 0.000 2.363 3 M HA 0.373 4.852 4.480 -0.001 0.000 0.343 3 M C -1.397 174.490 176.300 -0.687 0.000 1.165 3 M CA -0.638 54.376 55.300 -0.477 0.000 1.046 3 M CB 0.956 33.444 32.600 -0.187 0.000 1.648 3 M HN 0.157 nan 8.290 nan 0.000 0.452 4 Y N 2.551 122.676 120.300 -0.292 0.000 2.328 4 Y HA 0.466 5.016 4.550 -0.001 0.000 0.333 4 Y C 0.045 175.676 175.900 -0.448 0.000 0.958 4 Y CA -0.733 56.962 58.100 -0.673 0.000 1.167 4 Y CB 1.555 39.171 38.460 -1.406 0.000 1.151 4 Y HN 0.689 nan 8.280 nan 0.000 0.470 5 S N 3.993 119.629 115.700 -0.107 0.000 2.537 5 S HA 0.896 5.366 4.470 -0.001 0.000 0.301 5 S C -0.846 173.777 174.600 0.038 0.000 1.092 5 S CA -0.634 57.492 58.200 -0.123 0.000 1.048 5 S CB 1.165 64.401 63.200 0.060 0.000 1.053 5 S HN 0.597 nan 8.310 nan 0.000 0.501 6 I N -0.429 120.080 120.570 -0.101 0.000 2.582 6 I HA 0.743 4.912 4.170 -0.001 0.000 0.292 6 I C -1.614 174.485 176.117 -0.030 0.000 1.066 6 I CA -1.026 60.305 61.300 0.053 0.000 1.053 6 I CB 1.460 39.537 38.000 0.127 0.000 1.241 6 I HN 0.528 nan 8.210 nan 0.000 0.421 7 I N 4.855 125.495 120.570 0.117 0.000 2.404 7 I HA 0.782 4.952 4.170 -0.001 0.000 0.293 7 I C 0.324 176.539 176.117 0.164 0.000 0.992 7 I CA 0.035 61.434 61.300 0.165 0.000 1.149 7 I CB 2.143 40.328 38.000 0.309 0.000 1.315 7 I HN 0.909 nan 8.210 nan 0.000 0.446 8 T N 3.089 117.734 114.554 0.152 0.000 2.883 8 T HA 0.703 5.052 4.350 -0.001 0.000 0.296 8 T C -3.014 171.773 174.700 0.145 0.000 1.117 8 T CA -2.481 59.712 62.100 0.154 0.000 1.006 8 T CB 2.136 71.107 68.868 0.172 0.000 1.191 8 T HN 0.108 nan 8.240 nan 0.000 0.508 9 P HA 0.265 nan 4.420 nan 0.000 0.269 9 P C 0.589 177.949 177.300 0.100 0.000 1.209 9 P CA -0.111 63.051 63.100 0.103 0.000 0.776 9 P CB 0.279 32.013 31.700 0.057 0.000 0.876 10 N N 1.119 119.880 118.700 0.102 0.000 2.060 10 N HA -0.149 4.591 4.740 -0.001 0.000 0.195 10 N C 0.177 175.728 175.510 0.068 0.000 1.028 10 N CA 0.959 54.063 53.050 0.090 0.000 0.861 10 N CB -0.189 38.351 38.487 0.089 0.000 1.029 10 N HN 0.411 nan 8.380 nan 0.000 0.428 11 I N 1.653 122.250 120.570 0.044 0.000 2.382 11 I HA 0.234 4.403 4.170 -0.001 0.000 0.285 11 I C -0.543 175.569 176.117 -0.007 0.000 1.007 11 I CA -0.451 60.855 61.300 0.010 0.000 1.142 11 I CB 1.702 39.696 38.000 -0.010 0.000 1.289 11 I HN 0.001 nan 8.210 nan 0.000 0.453 12 L N 5.711 126.934 121.223 0.001 0.000 2.456 12 L HA 0.485 4.825 4.340 -0.001 0.000 0.257 12 L C 0.078 176.910 176.870 -0.063 0.000 1.162 12 L CA -0.657 54.176 54.840 -0.012 0.000 0.808 12 L CB 0.773 42.869 42.059 0.061 0.000 1.136 12 L HN 0.550 nan 8.230 nan 0.000 0.466 13 R N 0.520 120.966 120.500 -0.090 0.000 2.803 13 R HA 0.605 4.944 4.340 -0.001 0.000 0.276 13 R C -0.951 175.302 176.300 -0.079 0.000 0.978 13 R CA -0.674 55.363 56.100 -0.105 0.000 0.939 13 R CB 1.509 31.698 30.300 -0.185 0.000 1.179 13 R HN 0.391 nan 8.270 nan 0.000 0.472 14 L N 2.101 123.283 121.223 -0.069 0.000 2.436 14 L HA 0.175 4.515 4.340 -0.001 0.000 0.265 14 L C 0.304 177.129 176.870 -0.076 0.000 1.168 14 L CA 0.025 54.805 54.840 -0.100 0.000 0.815 14 L CB 0.389 42.387 42.059 -0.101 0.000 1.109 14 L HN 0.737 nan 8.230 nan 0.000 0.462 15 E N 0.434 120.577 120.200 -0.095 0.000 2.294 15 E HA -0.223 4.126 4.350 -0.001 0.000 0.228 15 E C -0.685 175.866 176.600 -0.080 0.000 1.253 15 E CA 0.619 56.963 56.400 -0.092 0.000 0.716 15 E CB -1.252 28.373 29.700 -0.124 0.000 1.184 15 E HN 0.625 nan 8.360 nan 0.000 0.374 16 S N -0.924 114.739 115.700 -0.062 0.000 2.626 16 S HA 0.282 4.751 4.470 -0.001 0.000 0.275 16 S C -0.515 174.027 174.600 -0.097 0.000 1.175 16 S CA -1.102 57.069 58.200 -0.048 0.000 0.982 16 S CB 1.636 64.856 63.200 0.033 0.000 1.093 16 S HN 0.184 nan 8.310 nan 0.000 0.472 17 E N 2.346 122.483 120.200 -0.104 0.000 2.493 17 E HA 0.059 4.408 4.350 -0.001 0.000 0.255 17 E C 0.192 176.642 176.600 -0.251 0.000 0.999 17 E CA 0.481 56.776 56.400 -0.175 0.000 0.934 17 E CB 0.418 30.048 29.700 -0.116 0.000 0.940 17 E HN 0.513 nan 8.360 nan 0.000 0.473 18 E N 1.572 121.478 120.200 -0.490 0.000 2.285 18 E HA 0.419 4.768 4.350 -0.001 0.000 0.254 18 E C -0.428 175.840 176.600 -0.554 0.000 1.011 18 E CA -0.566 55.523 56.400 -0.519 0.000 0.873 18 E CB 1.837 31.157 29.700 -0.632 0.000 1.229 18 E HN 0.269 nan 8.360 nan 0.000 0.422 19 T N 1.077 115.440 114.554 -0.318 0.000 2.893 19 T HA 0.506 4.856 4.350 -0.001 0.000 0.291 19 T C -0.626 174.090 174.700 0.026 0.000 1.028 19 T CA -0.569 61.450 62.100 -0.136 0.000 0.995 19 T CB 1.080 69.917 68.868 -0.052 0.000 1.051 19 T HN 0.305 nan 8.240 nan 0.000 0.470 20 M N 3.822 123.512 119.600 0.149 0.000 2.085 20 M HA 0.564 5.043 4.480 -0.001 0.000 0.309 20 M C -1.468 174.920 176.300 0.147 0.000 0.947 20 M CA -0.635 54.786 55.300 0.203 0.000 0.918 20 M CB 0.807 33.579 32.600 0.287 0.000 1.504 20 M HN 0.311 nan 8.290 nan 0.000 0.420 21 V N 6.813 126.818 119.914 0.152 0.000 2.432 21 V HA 0.332 4.451 4.120 -0.001 0.000 0.271 21 V C -0.268 175.941 176.094 0.192 0.000 1.046 21 V CA -0.296 62.098 62.300 0.156 0.000 0.945 21 V CB 0.902 32.833 31.823 0.180 0.000 0.992 21 V HN 0.770 nan 8.190 nan 0.000 0.471 22 L N 5.903 127.240 121.223 0.190 0.000 2.341 22 L HA 0.684 5.023 4.340 -0.001 0.000 0.278 22 L C -0.214 176.817 176.870 0.269 0.000 1.005 22 L CA -0.413 54.600 54.840 0.288 0.000 0.818 22 L CB 1.652 43.856 42.059 0.242 0.000 1.259 22 L HN 0.581 nan 8.230 nan 0.000 0.418 23 E N 2.188 122.558 120.200 0.282 0.000 2.275 23 E HA 0.630 4.979 4.350 -0.001 0.000 0.270 23 E C -1.067 175.540 176.600 0.013 0.000 0.882 23 E CA -0.864 55.587 56.400 0.085 0.000 0.758 23 E CB 2.626 32.308 29.700 -0.029 0.000 1.195 23 E HN 0.635 nan 8.360 nan 0.000 0.419 24 A N 3.874 126.677 122.820 -0.028 0.000 2.412 24 A HA 0.288 4.608 4.320 -0.001 0.000 0.334 24 A C -0.604 176.826 177.584 -0.257 0.000 1.419 24 A CA -0.613 51.346 52.037 -0.131 0.000 0.930 24 A CB 0.006 19.037 19.000 0.052 0.000 1.149 24 A HN 0.575 nan 8.150 nan 0.000 0.515 25 H N 1.419 120.401 119.070 -0.146 0.000 2.652 25 H HA 0.092 4.647 4.556 -0.001 0.000 0.349 25 H C -0.340 174.890 175.328 -0.164 0.000 1.099 25 H CA 0.497 56.524 56.048 -0.035 0.000 1.417 25 H CB 0.846 30.636 29.762 0.048 0.000 1.457 25 H HN 0.735 nan 8.280 nan 0.000 0.568 26 D N 0.064 120.478 120.400 0.022 0.000 2.708 26 D HA -0.151 4.488 4.640 -0.001 0.000 0.236 26 D C -0.391 175.813 176.300 -0.159 0.000 1.146 26 D CA 0.928 54.896 54.000 -0.054 0.000 0.662 26 D CB -1.086 39.684 40.800 -0.050 0.000 1.059 26 D HN 0.706 nan 8.370 nan 0.000 0.428 27 A N 0.505 123.147 122.820 -0.297 0.000 2.331 27 A HA 0.577 4.896 4.320 -0.001 0.000 0.320 27 A C 0.125 177.525 177.584 -0.308 0.000 1.138 27 A CA -0.679 51.141 52.037 -0.362 0.000 0.790 27 A CB 1.437 20.145 19.000 -0.487 0.000 1.206 27 A HN -0.021 nan 8.150 nan 0.000 0.470 28 Q N 1.287 121.037 119.800 -0.083 0.000 2.331 28 Q HA 0.506 4.845 4.340 -0.001 0.000 0.257 28 Q C 0.609 176.671 176.000 0.102 0.000 0.957 28 Q CA 0.900 56.729 55.803 0.044 0.000 0.923 28 Q CB 1.299 30.060 28.738 0.037 0.000 1.212 28 Q HN 1.708 nan 8.270 nan 0.000 0.443 29 G N 3.678 112.606 108.800 0.213 0.000 2.828 29 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.463 29 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.463 29 G C -0.891 174.148 174.900 0.231 0.000 1.394 29 G CA -0.854 44.359 45.100 0.187 0.000 0.862 29 G HN 0.587 nan 8.290 nan 0.000 0.540 30 D N -0.846 119.643 120.400 0.149 0.000 2.472 30 D HA 0.378 5.017 4.640 -0.001 0.000 0.237 30 D C 0.521 176.906 176.300 0.141 0.000 1.141 30 D CA 1.040 55.121 54.000 0.136 0.000 0.875 30 D CB 1.620 42.467 40.800 0.079 0.000 1.192 30 D HN 1.224 nan 8.370 nan 0.000 0.450 31 V N 3.020 123.030 119.914 0.160 0.000 2.532 31 V HA 0.414 4.533 4.120 -0.001 0.000 0.294 31 V C -2.818 173.347 176.094 0.119 0.000 1.036 31 V CA -1.922 60.472 62.300 0.158 0.000 0.876 31 V CB 2.144 34.116 31.823 0.249 0.000 1.012 31 V HN 0.343 nan 8.190 nan 0.000 0.432 32 P HA 0.485 nan 4.420 nan 0.000 0.278 32 P C -1.100 176.158 177.300 -0.069 0.000 1.238 32 P CA -0.136 62.964 63.100 -0.000 0.000 0.794 32 P CB 1.493 33.187 31.700 -0.011 0.000 0.955 33 V N 2.212 122.046 119.914 -0.133 0.000 2.789 33 V HA 0.504 4.624 4.120 -0.001 0.000 0.311 33 V C -0.215 175.747 176.094 -0.219 0.000 1.073 33 V CA -0.398 61.723 62.300 -0.300 0.000 0.921 33 V CB 2.321 33.852 31.823 -0.486 0.000 1.009 33 V HN 0.459 nan 8.190 nan 0.000 0.426 34 T N 3.138 117.552 114.554 -0.234 0.000 2.934 34 T HA 0.454 4.803 4.350 -0.001 0.000 0.328 34 T C -0.320 174.272 174.700 -0.180 0.000 1.068 34 T CA -0.318 61.685 62.100 -0.161 0.000 1.018 34 T CB 1.232 70.034 68.868 -0.110 0.000 1.009 34 T HN 0.375 nan 8.240 nan 0.000 0.471 35 V N 3.119 122.930 119.914 -0.172 0.000 2.649 35 V HA 0.711 4.831 4.120 -0.001 0.000 0.292 35 V C 0.688 176.666 176.094 -0.192 0.000 1.055 35 V CA -0.275 61.916 62.300 -0.183 0.000 1.023 35 V CB 1.540 33.268 31.823 -0.158 0.000 0.992 35 V HN 0.902 nan 8.190 nan 0.000 0.480 36 T N 3.467 117.890 114.554 -0.218 0.000 3.041 36 T HA 0.585 4.934 4.350 -0.001 0.000 0.321 36 T C -1.362 173.141 174.700 -0.330 0.000 1.184 36 T CA -0.333 61.612 62.100 -0.258 0.000 1.050 36 T CB 1.473 70.261 68.868 -0.132 0.000 1.159 36 T HN 0.398 nan 8.240 nan 0.000 0.469 37 V N 5.447 125.080 119.914 -0.469 0.000 2.555 37 V HA 0.676 4.795 4.120 -0.001 0.000 0.302 37 V C -0.748 175.053 176.094 -0.487 0.000 1.038 37 V CA -0.741 61.336 62.300 -0.373 0.000 0.887 37 V CB 1.622 33.230 31.823 -0.358 0.000 0.991 37 V HN 1.020 nan 8.190 nan 0.000 0.434 38 H N 1.017 120.107 119.070 0.033 0.000 2.865 38 H HA 0.533 5.088 4.556 -0.001 0.000 0.372 38 H C -0.765 174.670 175.328 0.179 0.000 1.173 38 H CA -0.975 55.128 56.048 0.092 0.000 1.147 38 H CB 1.147 30.949 29.762 0.066 0.000 1.805 38 H HN 0.773 nan 8.280 nan 0.000 0.553 39 D N 0.476 121.064 120.400 0.313 0.000 2.344 39 D HA -0.022 4.617 4.640 -0.001 0.000 0.244 39 D C -0.392 176.063 176.300 0.258 0.000 1.134 39 D CA -0.396 53.765 54.000 0.268 0.000 0.930 39 D CB 0.966 41.772 40.800 0.010 0.000 1.175 39 D HN 0.425 nan 8.370 nan 0.000 0.437 40 F N 1.475 121.494 119.950 0.115 0.000 2.532 40 F HA 0.321 4.847 4.527 -0.001 0.000 0.313 40 F C -2.280 173.550 175.800 0.050 0.000 1.301 40 F CA -1.546 56.509 58.000 0.093 0.000 1.154 40 F CB 0.535 39.620 39.000 0.143 0.000 1.335 40 F HN 0.199 nan 8.300 nan 0.000 0.542 41 P HA 0.390 nan 4.420 nan 0.000 0.187 41 P C 0.342 177.431 177.300 -0.352 0.000 1.067 41 P CA 0.342 63.125 63.100 -0.529 0.000 0.882 41 P CB 0.128 31.655 31.700 -0.289 0.000 0.734 42 G N 0.360 109.049 108.800 -0.186 0.000 2.437 42 G HA2 0.474 4.434 3.960 -0.001 0.000 0.319 42 G HA3 0.474 4.434 3.960 -0.001 0.000 0.319 42 G C -0.867 173.999 174.900 -0.057 0.000 1.158 42 G CA -0.519 44.512 45.100 -0.115 0.000 0.899 42 G HN 0.021 nan 8.290 nan 0.000 0.502 43 K N 1.279 121.644 120.400 -0.057 0.000 2.316 43 K HA 0.282 4.602 4.320 -0.001 0.000 0.289 43 K C -0.090 176.534 176.600 0.041 0.000 1.070 43 K CA -0.187 56.074 56.287 -0.043 0.000 0.928 43 K CB 0.981 33.329 32.500 -0.252 0.000 1.039 43 K HN 0.299 nan 8.250 nan 0.000 0.480 44 K N 5.424 125.916 120.400 0.154 0.000 2.578 44 K HA 0.173 4.492 4.320 -0.001 0.000 0.250 44 K C -0.527 176.205 176.600 0.220 0.000 0.955 44 K CA -0.710 55.671 56.287 0.156 0.000 0.825 44 K CB 0.962 33.505 32.500 0.071 0.000 1.151 44 K HN 0.708 nan 8.250 nan 0.000 0.432 45 L N 3.339 124.684 121.223 0.204 0.000 2.601 45 L HA 0.046 4.385 4.340 -0.001 0.000 0.277 45 L C 0.807 177.667 176.870 -0.016 0.000 1.219 45 L CA -0.262 54.576 54.840 -0.003 0.000 0.915 45 L CB 0.143 42.195 42.059 -0.012 0.000 1.160 45 L HN 0.459 nan 8.230 nan 0.000 0.494 46 V N 2.120 121.988 119.914 -0.076 0.000 3.212 46 V HA 0.325 4.445 4.120 -0.001 0.000 0.244 46 V C 0.753 176.816 176.094 -0.052 0.000 1.151 46 V CA 0.058 62.360 62.300 0.004 0.000 1.119 46 V CB 0.282 32.163 31.823 0.097 0.000 0.838 46 V HN 0.769 nan 8.190 nan 0.000 0.470 47 L N 0.754 121.894 121.223 -0.140 0.000 2.487 47 L HA 0.439 4.778 4.340 -0.001 0.000 0.261 47 L C 0.870 177.622 176.870 -0.197 0.000 1.223 47 L CA 0.248 55.013 54.840 -0.125 0.000 0.883 47 L CB 1.646 43.663 42.059 -0.069 0.000 1.065 47 L HN 0.112 nan 8.230 nan 0.000 0.488 48 S N -0.030 115.567 115.700 -0.172 0.000 2.522 48 S HA 0.011 4.480 4.470 -0.001 0.000 0.227 48 S C 1.138 175.674 174.600 -0.105 0.000 0.986 48 S CA 0.839 58.940 58.200 -0.164 0.000 0.929 48 S CB 0.169 63.302 63.200 -0.110 0.000 0.769 48 S HN 0.675 nan 8.310 nan 0.000 0.529 49 S N 0.874 116.528 115.700 -0.077 0.000 2.650 49 S HA 0.172 4.642 4.470 -0.001 0.000 0.251 49 S C -0.704 173.866 174.600 -0.050 0.000 1.325 49 S CA 0.028 58.199 58.200 -0.048 0.000 0.967 49 S CB -0.112 63.073 63.200 -0.025 0.000 1.000 49 S HN 0.568 nan 8.310 nan 0.000 0.584 50 E N 0.019 120.204 120.200 -0.026 0.000 7.319 50 E HA -0.136 4.214 4.350 -0.001 0.000 0.251 50 E C -1.094 175.481 176.600 -0.042 0.000 0.944 50 E CA 0.626 57.016 56.400 -0.016 0.000 1.530 50 E CB -1.594 28.115 29.700 0.015 0.000 0.918 50 E HN 0.707 nan 8.360 nan 0.000 0.271 51 K N 0.095 120.473 120.400 -0.037 0.000 2.435 51 K HA 0.852 5.172 4.320 -0.001 0.000 0.251 51 K C -0.262 176.315 176.600 -0.038 0.000 0.954 51 K CA -0.910 55.345 56.287 -0.054 0.000 0.820 51 K CB 3.005 35.473 32.500 -0.053 0.000 1.292 51 K HN 0.284 nan 8.250 nan 0.000 0.436 52 T N -0.175 114.351 114.554 -0.048 0.000 2.762 52 T HA 0.523 4.872 4.350 -0.001 0.000 0.301 52 T C -1.770 172.918 174.700 -0.020 0.000 1.299 52 T CA -0.644 61.441 62.100 -0.025 0.000 1.005 52 T CB 1.712 70.572 68.868 -0.013 0.000 1.377 52 T HN 0.697 nan 8.240 nan 0.000 0.504 53 V N 1.485 121.401 119.914 0.004 0.000 2.540 53 V HA 0.698 4.818 4.120 -0.001 0.000 0.302 53 V C -0.577 175.549 176.094 0.052 0.000 1.035 53 V CA -0.954 61.363 62.300 0.028 0.000 0.873 53 V CB 1.351 33.190 31.823 0.026 0.000 0.992 53 V HN 0.803 nan 8.190 nan 0.000 0.428 54 L N 5.199 126.484 121.223 0.104 0.000 2.352 54 L HA 0.404 4.743 4.340 -0.001 0.000 0.272 54 L C 1.015 177.970 176.870 0.140 0.000 1.109 54 L CA -0.080 54.842 54.840 0.137 0.000 0.952 54 L CB 0.694 42.895 42.059 0.236 0.000 1.314 54 L HN 1.000 nan 8.230 nan 0.000 0.427 55 T N -1.205 113.365 114.554 0.026 0.000 2.882 55 T HA 0.272 4.621 4.350 -0.001 0.000 0.287 55 T C -1.771 172.772 174.700 -0.262 0.000 1.014 55 T CA -1.768 60.309 62.100 -0.038 0.000 1.049 55 T CB 1.406 70.253 68.868 -0.035 0.000 1.001 55 T HN 0.160 nan 8.240 nan 0.000 0.525 56 P HA 0.085 nan 4.420 nan 0.000 0.225 56 P C 1.294 178.423 177.300 -0.285 0.000 1.148 56 P CA 0.706 63.472 63.100 -0.556 0.000 0.779 56 P CB -0.254 31.302 31.700 -0.240 0.000 0.780 57 A N -0.381 122.338 122.820 -0.169 0.000 2.119 57 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 57 A C 1.526 179.047 177.584 -0.106 0.000 1.153 57 A CA 1.640 53.613 52.037 -0.105 0.000 0.692 57 A CB -1.301 17.661 19.000 -0.065 0.000 0.799 57 A HN 0.316 nan 8.150 nan 0.000 0.458 58 T N -3.047 111.425 114.554 -0.137 0.000 3.316 58 T HA 0.198 4.547 4.350 -0.001 0.000 0.253 58 T C 0.122 174.722 174.700 -0.167 0.000 0.995 58 T CA -0.398 61.631 62.100 -0.118 0.000 1.031 58 T CB -1.049 67.772 68.868 -0.080 0.000 1.125 58 T HN 0.387 nan 8.240 nan 0.000 0.539 59 N N 3.377 121.954 118.700 -0.206 0.000 3.046 59 N HA -0.255 4.484 4.740 -0.001 0.000 0.301 59 N C -0.328 175.045 175.510 -0.228 0.000 1.069 59 N CA 0.759 53.645 53.050 -0.273 0.000 0.855 59 N CB -0.529 37.868 38.487 -0.151 0.000 0.940 59 N HN 0.647 nan 8.380 nan 0.000 0.623 60 H N -2.037 116.986 119.070 -0.078 0.000 2.791 60 H HA -0.207 4.349 4.556 -0.001 0.000 0.302 60 H C 0.026 175.293 175.328 -0.102 0.000 1.198 60 H CA 1.116 57.125 56.048 -0.065 0.000 1.145 60 H CB -1.264 28.458 29.762 -0.067 0.000 1.385 60 H HN 0.599 nan 8.280 nan 0.000 0.409 61 M N -0.182 119.397 119.600 -0.035 0.000 2.591 61 M HA 0.608 5.087 4.480 -0.001 0.000 0.306 61 M C 0.286 176.589 176.300 0.004 0.000 1.190 61 M CA 0.005 55.287 55.300 -0.031 0.000 0.889 61 M CB 2.737 35.276 32.600 -0.103 0.000 1.728 61 M HN 0.365 nan 8.290 nan 0.000 0.458 62 G N 1.826 110.646 108.800 0.035 0.000 2.519 62 G HA2 0.387 4.346 3.960 -0.001 0.000 0.292 62 G HA3 0.387 4.346 3.960 -0.001 0.000 0.292 62 G C -2.333 172.598 174.900 0.051 0.000 1.507 62 G CA -0.848 44.273 45.100 0.034 0.000 0.806 62 G HN 0.843 nan 8.290 nan 0.000 0.523 63 N N -1.802 116.921 118.700 0.038 0.000 2.457 63 N HA 0.779 5.519 4.740 -0.001 0.000 0.290 63 N C -1.322 174.216 175.510 0.046 0.000 1.232 63 N CA -0.958 52.121 53.050 0.049 0.000 0.852 63 N CB 2.657 41.165 38.487 0.036 0.000 1.313 63 N HN 0.532 nan 8.380 nan 0.000 0.522 64 V N 0.068 120.023 119.914 0.069 0.000 2.610 64 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 64 V C -0.537 175.640 176.094 0.139 0.000 1.067 64 V CA -0.686 61.665 62.300 0.086 0.000 0.894 64 V CB 1.370 33.240 31.823 0.078 0.000 1.015 64 V HN 1.052 nan 8.190 nan 0.000 0.432 65 T N 2.598 117.203 114.554 0.086 0.000 2.928 65 T HA 0.915 5.265 4.350 -0.001 0.000 0.284 65 T C -0.695 174.073 174.700 0.114 0.000 1.008 65 T CA -0.425 61.682 62.100 0.010 0.000 1.057 65 T CB 1.676 70.515 68.868 -0.049 0.000 1.018 65 T HN 0.887 nan 8.240 nan 0.000 0.493 66 F N -1.616 118.320 119.950 -0.023 0.000 2.741 66 F HA 0.748 5.274 4.527 -0.001 0.000 0.313 66 F C -1.220 174.557 175.800 -0.038 0.000 1.153 66 F CA -1.133 56.847 58.000 -0.033 0.000 0.931 66 F CB 1.183 40.158 39.000 -0.041 0.000 1.335 66 F HN 0.566 nan 8.300 nan 0.000 0.460 67 T N 2.641 117.312 114.554 0.196 0.000 2.847 67 T HA 0.493 4.843 4.350 -0.001 0.000 0.291 67 T C -0.417 174.361 174.700 0.131 0.000 0.998 67 T CA -0.341 61.804 62.100 0.075 0.000 0.967 67 T CB 0.992 69.863 68.868 0.005 0.000 0.954 67 T HN 0.595 nan 8.240 nan 0.000 0.441 68 I N 6.407 127.042 120.570 0.108 0.000 2.483 68 I HA 0.185 4.354 4.170 -0.001 0.000 0.291 68 I C -1.949 174.087 176.117 -0.135 0.000 1.112 68 I CA -1.743 59.541 61.300 -0.026 0.000 1.350 68 I CB 0.469 38.414 38.000 -0.092 0.000 1.419 68 I HN 0.298 nan 8.210 nan 0.000 0.523 69 P HA 0.211 nan 4.420 nan 0.000 0.281 69 P C -0.716 176.501 177.300 -0.137 0.000 1.249 69 P CA -0.663 62.381 63.100 -0.094 0.000 0.810 69 P CB 0.987 32.672 31.700 -0.025 0.000 1.008 70 A N 2.617 125.393 122.820 -0.073 0.000 2.475 70 A HA 0.154 4.474 4.320 -0.001 0.000 0.293 70 A C 0.462 178.108 177.584 0.104 0.000 1.252 70 A CA 0.058 52.096 52.037 0.001 0.000 0.920 70 A CB -1.239 17.767 19.000 0.010 0.000 1.125 70 A HN 0.495 nan 8.150 nan 0.000 0.528 71 N N 1.326 120.179 118.700 0.255 0.000 2.643 71 N HA 0.297 5.036 4.740 -0.001 0.000 0.305 71 N C 1.202 176.823 175.510 0.185 0.000 1.283 71 N CA -0.615 52.578 53.050 0.239 0.000 0.946 71 N CB 0.878 39.564 38.487 0.332 0.000 1.149 71 N HN 0.546 nan 8.380 nan 0.000 0.600 72 R N 0.349 120.915 120.500 0.110 0.000 2.091 72 R HA -0.084 4.255 4.340 -0.001 0.000 0.238 72 R C 1.468 177.777 176.300 0.015 0.000 1.136 72 R CA 1.505 57.638 56.100 0.054 0.000 0.959 72 R CB 0.013 30.330 30.300 0.028 0.000 0.856 72 R HN 0.545 nan 8.270 nan 0.000 0.437 73 E N -0.449 119.724 120.200 -0.044 0.000 2.216 73 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 73 E C 1.489 177.914 176.600 -0.293 0.000 0.988 73 E CA 0.978 57.244 56.400 -0.224 0.000 0.834 73 E CB -0.049 29.412 29.700 -0.399 0.000 0.772 73 E HN 0.377 nan 8.360 nan 0.000 0.479 74 F N 0.833 120.799 119.950 0.027 0.000 2.765 74 F HA 0.148 4.675 4.527 -0.001 0.000 0.302 74 F C 1.213 177.026 175.800 0.021 0.000 1.111 74 F CA 0.271 58.287 58.000 0.025 0.000 1.359 74 F CB 0.327 39.342 39.000 0.026 0.000 1.097 74 F HN -0.262 nan 8.300 nan 0.000 0.577 75 K N 0.422 120.911 120.400 0.148 0.000 3.127 75 K HA 0.211 4.531 4.320 -0.001 0.000 0.236 75 K C 0.486 177.118 176.600 0.053 0.000 1.271 75 K CA 0.309 56.654 56.287 0.098 0.000 1.224 75 K CB 0.120 32.672 32.500 0.087 0.000 1.482 75 K HN 0.268 nan 8.250 nan 0.000 0.435 76 S N -1.704 114.019 115.700 0.039 0.000 4.738 76 S HA -0.064 4.405 4.470 -0.001 0.000 0.176 76 S C 0.178 174.782 174.600 0.005 0.000 1.108 76 S CA -0.617 57.590 58.200 0.011 0.000 1.277 76 S CB -0.083 63.112 63.200 -0.009 0.000 1.680 76 S HN 0.242 nan 8.310 nan 0.000 0.502 77 E N 2.525 122.722 120.200 -0.005 0.000 2.467 77 E HA 0.299 4.648 4.350 -0.001 0.000 0.321 77 E C -0.907 175.706 176.600 0.021 0.000 1.388 77 E CA 0.121 56.519 56.400 -0.002 0.000 1.508 77 E CB -0.194 29.491 29.700 -0.026 0.000 1.250 77 E HN 0.374 nan 8.360 nan 0.000 0.500 78 K N -0.322 120.089 120.400 0.018 0.000 2.221 78 K HA 0.568 4.887 4.320 -0.001 0.000 0.258 78 K C 0.701 177.307 176.600 0.010 0.000 0.944 78 K CA -0.296 56.001 56.287 0.017 0.000 0.823 78 K CB 1.966 34.474 32.500 0.013 0.000 1.113 78 K HN 0.254 nan 8.250 nan 0.000 0.431 79 G N 1.670 110.475 108.800 0.009 0.000 2.796 79 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.198 79 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.198 79 G C 0.387 175.299 174.900 0.020 0.000 1.062 79 G CA -0.562 44.543 45.100 0.008 0.000 0.752 79 G HN 0.423 nan 8.290 nan 0.000 0.487 80 R N 1.604 122.125 120.500 0.036 0.000 2.633 80 R HA 0.346 4.685 4.340 -0.001 0.000 0.348 80 R C 0.509 176.856 176.300 0.079 0.000 1.100 80 R CA -0.066 56.072 56.100 0.063 0.000 1.068 80 R CB -1.120 29.227 30.300 0.079 0.000 1.351 80 R HN 0.775 nan 8.270 nan 0.000 0.575 81 N N 1.195 119.907 118.700 0.021 0.000 5.004 81 N HA -0.209 4.530 4.740 -0.001 0.000 0.355 81 N C -1.116 174.364 175.510 -0.050 0.000 1.431 81 N CA 0.900 53.910 53.050 -0.067 0.000 2.808 81 N CB 0.025 38.408 38.487 -0.174 0.000 0.470 81 N HN 0.106 nan 8.380 nan 0.000 0.793 82 K N 0.491 120.800 120.400 -0.150 0.000 2.340 82 K HA 0.708 5.028 4.320 -0.001 0.000 0.244 82 K C -1.131 175.333 176.600 -0.227 0.000 0.973 82 K CA -0.499 55.789 56.287 0.002 0.000 0.828 82 K CB 1.462 34.057 32.500 0.159 0.000 1.226 82 K HN 0.247 nan 8.250 nan 0.000 0.437 83 F N 0.004 120.102 119.950 0.247 0.000 2.654 83 F HA 0.598 5.124 4.527 -0.001 0.000 0.334 83 F C -0.347 175.624 175.800 0.284 0.000 1.078 83 F CA -1.013 57.115 58.000 0.212 0.000 0.986 83 F CB 1.943 41.017 39.000 0.124 0.000 1.362 83 F HN 0.209 nan 8.300 nan 0.000 0.498 84 V N -2.095 118.058 119.914 0.398 0.000 3.012 84 V HA 0.637 4.756 4.120 -0.001 0.000 0.307 84 V C -0.904 175.310 176.094 0.200 0.000 1.166 84 V CA -0.761 61.734 62.300 0.325 0.000 0.974 84 V CB 1.265 33.242 31.823 0.255 0.000 1.040 84 V HN 0.686 nan 8.190 nan 0.000 0.428 85 T N 3.359 118.040 114.554 0.212 0.000 2.728 85 T HA 0.562 4.911 4.350 -0.001 0.000 0.296 85 T C -0.024 174.738 174.700 0.103 0.000 0.940 85 T CA -0.176 62.002 62.100 0.130 0.000 1.013 85 T CB 0.966 69.934 68.868 0.168 0.000 0.912 85 T HN 0.743 nan 8.240 nan 0.000 0.484 86 V N 4.552 124.487 119.914 0.034 0.000 2.546 86 V HA 0.459 4.578 4.120 -0.001 0.000 0.284 86 V C 0.169 176.258 176.094 -0.008 0.000 1.050 86 V CA -0.599 61.682 62.300 -0.032 0.000 0.981 86 V CB 1.332 33.134 31.823 -0.036 0.000 0.990 86 V HN 0.830 nan 8.190 nan 0.000 0.474 87 Q N 2.857 122.639 119.800 -0.032 0.000 2.269 87 Q HA 0.681 5.021 4.340 -0.001 0.000 0.263 87 Q C -1.158 174.804 176.000 -0.064 0.000 0.983 87 Q CA -0.551 55.247 55.803 -0.008 0.000 0.777 87 Q CB 1.962 30.734 28.738 0.056 0.000 1.273 87 Q HN 0.924 nan 8.270 nan 0.000 0.440 88 A N 2.758 125.537 122.820 -0.068 0.000 2.304 88 A HA 0.655 4.974 4.320 -0.001 0.000 0.323 88 A C -0.561 176.908 177.584 -0.192 0.000 1.195 88 A CA -0.422 51.494 52.037 -0.202 0.000 0.826 88 A CB 1.460 20.291 19.000 -0.281 0.000 1.184 88 A HN 0.629 nan 8.150 nan 0.000 0.496 89 T N 3.259 117.655 114.554 -0.263 0.000 2.929 89 T HA 0.339 4.688 4.350 -0.001 0.000 0.331 89 T C -0.673 173.852 174.700 -0.291 0.000 1.120 89 T CA 0.184 62.175 62.100 -0.182 0.000 0.973 89 T CB -0.684 68.117 68.868 -0.111 0.000 1.036 89 T HN 0.371 nan 8.240 nan 0.000 0.502 90 F N 3.533 123.331 119.950 -0.253 0.000 2.600 90 F HA 0.363 4.889 4.527 -0.001 0.000 0.345 90 F C 1.737 177.334 175.800 -0.338 0.000 1.271 90 F CA 0.307 58.079 58.000 -0.381 0.000 1.138 90 F CB -0.681 37.795 39.000 -0.873 0.000 1.449 90 F HN 0.871 nan 8.300 nan 0.000 0.645 91 G N 1.673 110.422 108.800 -0.085 0.000 4.430 91 G HA2 -0.476 3.483 3.960 -0.001 0.000 0.332 91 G HA3 -0.476 3.483 3.960 -0.001 0.000 0.332 91 G C 1.274 176.144 174.900 -0.051 0.000 1.338 91 G CA 1.061 46.131 45.100 -0.050 0.000 1.024 91 G HN 0.546 nan 8.290 nan 0.000 0.750 92 T N -0.078 114.447 114.554 -0.049 0.000 3.038 92 T HA 0.298 4.648 4.350 -0.001 0.000 0.244 92 T C 1.156 175.832 174.700 -0.040 0.000 1.016 92 T CA 1.471 63.552 62.100 -0.033 0.000 1.098 92 T CB -0.043 68.819 68.868 -0.010 0.000 0.954 92 T HN 0.651 nan 8.240 nan 0.000 0.469 93 Q N 1.620 121.375 119.800 -0.074 0.000 2.373 93 Q HA 0.413 4.752 4.340 -0.001 0.000 0.255 93 Q C -0.963 175.022 176.000 -0.024 0.000 0.980 93 Q CA -0.015 55.750 55.803 -0.062 0.000 0.882 93 Q CB 1.267 29.923 28.738 -0.137 0.000 1.249 93 Q HN 0.238 nan 8.270 nan 0.000 0.438 94 V N 5.387 125.313 119.914 0.020 0.000 2.443 94 V HA 0.594 4.713 4.120 -0.001 0.000 0.293 94 V C -1.336 174.801 176.094 0.072 0.000 1.021 94 V CA -0.607 61.719 62.300 0.044 0.000 0.848 94 V CB 1.770 33.599 31.823 0.010 0.000 0.998 94 V HN 0.660 nan 8.190 nan 0.000 0.424 95 V N 7.168 127.160 119.914 0.130 0.000 2.547 95 V HA 0.728 4.847 4.120 -0.001 0.000 0.299 95 V C -0.154 175.974 176.094 0.056 0.000 1.040 95 V CA -0.344 62.016 62.300 0.099 0.000 0.913 95 V CB 1.684 33.604 31.823 0.163 0.000 0.992 95 V HN 1.039 nan 8.190 nan 0.000 0.449 96 E N 2.735 122.945 120.200 0.018 0.000 2.392 96 E HA 0.753 5.102 4.350 -0.001 0.000 0.279 96 E C -1.539 175.051 176.600 -0.017 0.000 0.964 96 E CA -1.231 55.172 56.400 0.006 0.000 0.777 96 E CB 2.749 32.456 29.700 0.012 0.000 1.249 96 E HN 0.420 nan 8.360 nan 0.000 0.449 97 K N 0.973 121.362 120.400 -0.019 0.000 2.469 97 K HA 0.445 4.765 4.320 -0.001 0.000 0.254 97 K C -1.773 174.799 176.600 -0.047 0.000 0.939 97 K CA -0.785 55.479 56.287 -0.037 0.000 0.812 97 K CB 2.468 34.951 32.500 -0.027 0.000 1.301 97 K HN 0.409 nan 8.250 nan 0.000 0.433 98 V N 4.042 123.887 119.914 -0.114 0.000 2.406 98 V HA 0.412 4.532 4.120 -0.001 0.000 0.272 98 V C -0.622 175.435 176.094 -0.061 0.000 1.043 98 V CA -0.716 61.467 62.300 -0.195 0.000 0.915 98 V CB 1.230 32.716 31.823 -0.562 0.000 0.988 98 V HN 0.497 nan 8.190 nan 0.000 0.466 99 V N 6.091 126.048 119.914 0.071 0.000 2.495 99 V HA 0.419 4.538 4.120 -0.001 0.000 0.298 99 V C -0.059 176.185 176.094 0.250 0.000 1.031 99 V CA -0.804 61.585 62.300 0.149 0.000 0.871 99 V CB 1.797 33.686 31.823 0.109 0.000 0.988 99 V HN 0.733 nan 8.190 nan 0.000 0.432 100 L N 6.079 127.433 121.223 0.217 0.000 2.483 100 L HA 0.463 4.802 4.340 -0.001 0.000 0.275 100 L C -0.308 176.489 176.870 -0.122 0.000 1.220 100 L CA 0.807 55.563 54.840 -0.139 0.000 0.833 100 L CB 0.953 42.944 42.059 -0.113 0.000 1.102 100 L HN 0.462 nan 8.230 nan 0.000 0.490 101 V N 3.319 123.098 119.914 -0.224 0.000 2.709 101 V HA 0.554 4.674 4.120 -0.001 0.000 0.308 101 V C -0.248 175.779 176.094 -0.112 0.000 1.062 101 V CA -0.315 61.920 62.300 -0.107 0.000 0.901 101 V CB 1.749 33.546 31.823 -0.044 0.000 1.003 101 V HN 0.985 nan 8.190 nan 0.000 0.425 102 S N 4.653 120.305 115.700 -0.080 0.000 2.578 102 S HA 0.549 5.018 4.470 -0.001 0.000 0.283 102 S C -0.097 174.481 174.600 -0.036 0.000 1.195 102 S CA -0.704 57.460 58.200 -0.060 0.000 1.050 102 S CB 1.231 64.395 63.200 -0.059 0.000 1.012 102 S HN 0.464 nan 8.310 nan 0.000 0.511 103 L N 2.046 123.263 121.223 -0.011 0.000 2.888 103 L HA 0.283 4.622 4.340 -0.001 0.000 0.237 103 L C 0.522 177.415 176.870 0.038 0.000 1.288 103 L CA 0.437 55.284 54.840 0.013 0.000 1.110 103 L CB -1.859 40.217 42.059 0.027 0.000 1.441 103 L HN 0.780 nan 8.230 nan 0.000 0.474 104 Q N -0.981 118.852 119.800 0.056 0.000 2.261 104 Q HA 0.261 4.600 4.340 -0.001 0.000 0.252 104 Q C 0.789 176.876 176.000 0.144 0.000 0.915 104 Q CA -0.277 55.609 55.803 0.139 0.000 0.915 104 Q CB 1.780 30.653 28.738 0.224 0.000 1.204 104 Q HN 0.104 nan 8.270 nan 0.000 0.421 105 S N 0.709 116.427 115.700 0.031 0.000 2.404 105 S HA 0.197 4.666 4.470 -0.001 0.000 0.223 105 S C 0.654 174.984 174.600 -0.450 0.000 1.040 105 S CA 0.682 58.755 58.200 -0.210 0.000 0.957 105 S CB 0.340 63.237 63.200 -0.505 0.000 0.826 105 S HN 0.865 nan 8.310 nan 0.000 0.491 106 G N -0.656 107.821 108.800 -0.539 0.000 2.637 106 G HA2 0.469 4.428 3.960 -0.001 0.000 0.112 106 G HA3 0.469 4.428 3.960 -0.001 0.000 0.112 106 G C -2.066 172.444 174.900 -0.650 0.000 1.181 106 G CA -0.668 43.834 45.100 -0.997 0.000 1.150 106 G HN 0.174 nan 8.290 nan 0.000 0.561 107 Y N -0.308 119.857 120.300 -0.225 0.000 2.512 107 Y HA 0.768 5.317 4.550 -0.001 0.000 0.348 107 Y C -0.136 175.135 175.900 -1.049 0.000 0.990 107 Y CA -0.772 56.912 58.100 -0.694 0.000 1.033 107 Y CB 2.355 40.360 38.460 -0.758 0.000 1.259 107 Y HN 0.351 nan 8.280 nan 0.000 0.461 108 L N 3.713 123.874 121.223 -1.771 0.000 2.356 108 L HA 0.573 4.912 4.340 -0.001 0.000 0.277 108 L C -1.451 174.770 176.870 -1.082 0.000 0.996 108 L CA -0.591 53.546 54.840 -1.171 0.000 0.822 108 L CB 1.247 42.831 42.059 -0.791 0.000 1.256 108 L HN 0.444 nan 8.230 nan 0.000 0.413 109 F N 3.408 123.262 119.950 -0.159 0.000 2.508 109 F HA 0.579 5.105 4.527 -0.001 0.000 0.325 109 F C 0.056 175.953 175.800 0.162 0.000 1.090 109 F CA -0.799 57.203 58.000 0.005 0.000 0.945 109 F CB 1.738 40.733 39.000 -0.008 0.000 1.156 109 F HN 0.168 nan 8.300 nan 0.000 0.463 110 I N 2.607 123.388 120.570 0.352 0.000 2.420 110 I HA 0.261 4.430 4.170 -0.001 0.000 0.282 110 I C -0.486 175.796 176.117 0.275 0.000 1.019 110 I CA -0.494 60.969 61.300 0.272 0.000 1.130 110 I CB 1.432 39.557 38.000 0.208 0.000 1.262 110 I HN 0.563 nan 8.210 nan 0.000 0.454 111 Q N 5.179 125.159 119.800 0.301 0.000 2.235 111 Q HA 0.536 4.876 4.340 -0.001 0.000 0.250 111 Q C -0.689 175.447 176.000 0.226 0.000 0.909 111 Q CA -0.479 55.482 55.803 0.263 0.000 0.910 111 Q CB 1.619 30.556 28.738 0.331 0.000 1.223 111 Q HN 0.697 nan 8.270 nan 0.000 0.432 112 T N -0.202 114.477 114.554 0.208 0.000 2.861 112 T HA 0.156 4.505 4.350 -0.001 0.000 0.287 112 T C 0.792 175.619 174.700 0.211 0.000 1.003 112 T CA -0.527 61.702 62.100 0.215 0.000 0.977 112 T CB 1.278 70.261 68.868 0.192 0.000 0.996 112 T HN 0.766 nan 8.240 nan 0.000 0.448 113 D N 2.606 123.134 120.400 0.213 0.000 2.149 113 D HA -0.183 4.457 4.640 -0.001 0.000 0.194 113 D C 0.428 176.805 176.300 0.129 0.000 1.001 113 D CA 1.408 55.507 54.000 0.164 0.000 0.849 113 D CB 0.133 41.023 40.800 0.149 0.000 0.939 113 D HN 0.645 nan 8.370 nan 0.000 0.449 114 K N -1.422 119.030 120.400 0.086 0.000 2.331 114 K HA 0.350 4.669 4.320 -0.001 0.000 0.238 114 K C 1.009 177.587 176.600 -0.036 0.000 1.058 114 K CA -0.063 56.168 56.287 -0.094 0.000 0.871 114 K CB 1.603 33.825 32.500 -0.463 0.000 1.292 114 K HN 0.027 nan 8.250 nan 0.000 0.470 115 T N -2.282 112.256 114.554 -0.027 0.000 3.014 115 T HA 0.293 4.642 4.350 -0.001 0.000 0.250 115 T C 0.673 175.404 174.700 0.052 0.000 1.060 115 T CA -0.036 62.119 62.100 0.090 0.000 1.040 115 T CB 0.036 69.004 68.868 0.167 0.000 0.971 115 T HN 0.474 nan 8.240 nan 0.000 0.497 116 I N -0.044 120.412 120.570 -0.190 0.000 2.827 116 I HA 0.610 4.779 4.170 -0.001 0.000 0.298 116 I C -2.098 173.871 176.117 -0.246 0.000 1.235 116 I CA -1.596 59.657 61.300 -0.078 0.000 1.021 116 I CB 2.213 40.111 38.000 -0.170 0.000 1.259 116 I HN 0.071 nan 8.210 nan 0.000 0.427 117 Y N 2.797 123.278 120.300 0.302 0.000 2.524 117 Y HA 0.493 5.042 4.550 -0.001 0.000 0.347 117 Y C -0.022 176.006 175.900 0.214 0.000 1.005 117 Y CA -0.726 57.521 58.100 0.245 0.000 1.025 117 Y CB 2.350 40.874 38.460 0.106 0.000 1.275 117 Y HN 0.512 nan 8.280 nan 0.000 0.460 118 T N -0.031 114.614 114.554 0.152 0.000 2.909 118 T HA 0.447 4.796 4.350 -0.001 0.000 0.286 118 T C -2.881 171.788 174.700 -0.051 0.000 1.002 118 T CA -2.506 59.541 62.100 -0.088 0.000 1.074 118 T CB 1.263 69.908 68.868 -0.372 0.000 0.984 118 T HN 0.163 nan 8.240 nan 0.000 0.495 119 P HA 0.217 nan 4.420 nan 0.000 0.260 119 P C 1.207 178.439 177.300 -0.114 0.000 1.172 119 P CA 1.308 64.356 63.100 -0.086 0.000 0.760 119 P CB 0.102 31.773 31.700 -0.049 0.000 0.773 120 G N 2.076 110.783 108.800 -0.155 0.000 2.349 120 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.213 120 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.213 120 G C 0.371 175.170 174.900 -0.169 0.000 1.044 120 G CA 0.167 45.175 45.100 -0.153 0.000 0.633 120 G HN 0.790 nan 8.290 nan 0.000 0.506 121 S N 0.723 116.339 115.700 -0.139 0.000 2.585 121 S HA 0.582 5.052 4.470 -0.001 0.000 0.273 121 S C 0.216 174.704 174.600 -0.186 0.000 1.339 121 S CA 0.780 58.917 58.200 -0.104 0.000 1.028 121 S CB 1.602 64.803 63.200 0.001 0.000 0.906 121 S HN 0.629 nan 8.310 nan 0.000 0.528 122 T N 2.236 116.699 114.554 -0.152 0.000 2.832 122 T HA 0.359 4.708 4.350 -0.001 0.000 0.296 122 T C -0.237 174.333 174.700 -0.216 0.000 0.968 122 T CA -0.438 61.539 62.100 -0.205 0.000 1.107 122 T CB 0.583 69.376 68.868 -0.126 0.000 0.916 122 T HN 0.536 nan 8.240 nan 0.000 0.517 123 V N 5.988 125.678 119.914 -0.373 0.000 2.383 123 V HA 0.360 4.479 4.120 -0.001 0.000 0.275 123 V C 0.164 176.206 176.094 -0.087 0.000 1.036 123 V CA -0.621 61.348 62.300 -0.552 0.000 0.889 123 V CB 0.824 32.087 31.823 -0.934 0.000 0.985 123 V HN 0.668 nan 8.190 nan 0.000 0.459 124 L N 6.767 128.011 121.223 0.035 0.000 2.322 124 L HA 0.690 5.029 4.340 -0.001 0.000 0.279 124 L C -0.681 176.318 176.870 0.215 0.000 1.036 124 L CA -0.667 54.232 54.840 0.098 0.000 0.807 124 L CB 1.170 43.264 42.059 0.058 0.000 1.226 124 L HN 0.784 nan 8.230 nan 0.000 0.433 125 Y N 0.094 120.366 120.300 -0.047 0.000 2.552 125 Y HA 0.687 5.237 4.550 -0.001 0.000 0.337 125 Y C -1.092 174.758 175.900 -0.084 0.000 1.094 125 Y CA -1.332 56.743 58.100 -0.042 0.000 1.028 125 Y CB 1.429 39.863 38.460 -0.043 0.000 1.321 125 Y HN 0.401 nan 8.280 nan 0.000 0.456 126 R N 2.896 123.363 120.500 -0.055 0.000 2.637 126 R HA 0.703 5.043 4.340 -0.001 0.000 0.291 126 R C -1.446 174.694 176.300 -0.266 0.000 0.963 126 R CA -0.998 54.924 56.100 -0.296 0.000 0.901 126 R CB 2.532 32.545 30.300 -0.477 0.000 1.160 126 R HN 0.771 nan 8.270 nan 0.000 0.457 127 I N 3.227 123.600 120.570 -0.329 0.000 2.389 127 I HA 0.290 4.459 4.170 -0.001 0.000 0.288 127 I C -0.868 175.056 176.117 -0.322 0.000 0.999 127 I CA -0.582 60.595 61.300 -0.205 0.000 1.129 127 I CB 1.107 39.050 38.000 -0.096 0.000 1.288 127 I HN 0.373 nan 8.210 nan 0.000 0.444 128 F N 3.689 123.636 119.950 -0.005 0.000 2.411 128 F HA 0.329 4.856 4.527 -0.001 0.000 0.350 128 F C 0.813 176.572 175.800 -0.068 0.000 1.114 128 F CA -0.681 57.319 58.000 0.000 0.000 1.135 128 F CB 1.443 40.491 39.000 0.079 0.000 1.120 128 F HN 0.315 nan 8.300 nan 0.000 0.495 129 T N 1.560 116.182 114.554 0.113 0.000 2.874 129 T HA 0.673 5.022 4.350 -0.001 0.000 0.321 129 T C -0.593 174.190 174.700 0.138 0.000 1.075 129 T CA -0.678 61.469 62.100 0.078 0.000 0.966 129 T CB 0.301 69.227 68.868 0.097 0.000 1.001 129 T HN 0.536 nan 8.240 nan 0.000 0.476 130 V N 1.266 121.252 119.914 0.119 0.000 3.040 130 V HA 0.816 4.936 4.120 -0.001 0.000 0.312 130 V C -0.372 175.748 176.094 0.042 0.000 1.115 130 V CA -1.404 60.952 62.300 0.094 0.000 0.998 130 V CB 1.818 33.708 31.823 0.112 0.000 1.042 130 V HN 0.903 nan 8.190 nan 0.000 0.433 131 N N 0.313 119.010 118.700 -0.005 0.000 2.443 131 N HA 0.283 5.022 4.740 -0.001 0.000 0.294 131 N C 0.740 176.205 175.510 -0.075 0.000 1.289 131 N CA -0.172 52.796 53.050 -0.136 0.000 0.966 131 N CB -0.300 38.133 38.487 -0.091 0.000 1.122 131 N HN 0.739 nan 8.380 nan 0.000 0.569 132 H N -1.052 118.032 119.070 0.024 0.000 2.559 132 H HA 0.108 4.663 4.556 -0.001 0.000 0.273 132 H C 0.190 175.653 175.328 0.226 0.000 1.000 132 H CA 0.767 56.881 56.048 0.109 0.000 1.195 132 H CB 0.222 29.977 29.762 -0.011 0.000 1.368 132 H HN 0.562 nan 8.280 nan 0.000 0.592 133 K N 0.744 121.287 120.400 0.238 0.000 2.410 133 K HA 0.151 4.470 4.320 -0.001 0.000 0.200 133 K C 0.602 177.317 176.600 0.191 0.000 1.023 133 K CA -0.106 56.299 56.287 0.197 0.000 1.149 133 K CB 0.808 33.378 32.500 0.117 0.000 0.859 133 K HN 0.059 nan 8.250 nan 0.000 0.514 134 L N 0.422 121.774 121.223 0.215 0.000 4.429 134 L HA -0.271 4.068 4.340 -0.001 0.000 0.422 134 L C -0.298 176.630 176.870 0.098 0.000 1.149 134 L CA 0.425 55.356 54.840 0.152 0.000 0.972 134 L CB -1.625 40.482 42.059 0.080 0.000 2.059 134 L HN 0.279 nan 8.230 nan 0.000 0.870 135 L N 0.173 121.449 121.223 0.090 0.000 2.399 135 L HA 0.482 4.822 4.340 -0.001 0.000 0.265 135 L C -1.797 175.109 176.870 0.060 0.000 1.089 135 L CA -1.776 53.103 54.840 0.065 0.000 0.802 135 L CB 0.833 42.924 42.059 0.054 0.000 1.180 135 L HN -0.251 nan 8.230 nan 0.000 0.454 136 P HA 0.224 nan 4.420 nan 0.000 0.274 136 P C -1.167 176.160 177.300 0.044 0.000 1.237 136 P CA -0.214 62.925 63.100 0.065 0.000 0.793 136 P CB 1.464 33.204 31.700 0.067 0.000 0.977 137 V N 0.878 120.821 119.914 0.049 0.000 3.012 137 V HA 0.740 4.860 4.120 -0.001 0.000 0.307 137 V C -0.417 175.700 176.094 0.040 0.000 1.166 137 V CA -0.740 61.573 62.300 0.023 0.000 0.974 137 V CB 2.287 34.098 31.823 -0.021 0.000 1.040 137 V HN 0.658 nan 8.190 nan 0.000 0.428 138 G N 5.285 114.096 108.800 0.019 0.000 2.696 138 G HA2 0.627 4.586 3.960 -0.001 0.000 0.329 138 G HA3 0.627 4.586 3.960 -0.001 0.000 0.329 138 G C -0.295 174.619 174.900 0.024 0.000 0.973 138 G CA -0.449 44.666 45.100 0.025 0.000 1.257 138 G HN 0.701 nan 8.290 nan 0.000 0.456 139 R N 0.912 121.452 120.500 0.068 0.000 2.930 139 R HA 0.577 4.916 4.340 -0.001 0.000 0.257 139 R C -0.748 175.618 176.300 0.109 0.000 1.107 139 R CA -0.840 55.307 56.100 0.078 0.000 0.999 139 R CB 1.531 31.873 30.300 0.070 0.000 1.209 139 R HN 0.321 nan 8.270 nan 0.000 0.486 140 T N 1.456 116.073 114.554 0.105 0.000 2.767 140 T HA 0.373 4.723 4.350 -0.001 0.000 0.288 140 T C -0.204 174.550 174.700 0.090 0.000 0.963 140 T CA -0.466 61.676 62.100 0.070 0.000 1.019 140 T CB 1.128 70.021 68.868 0.041 0.000 0.923 140 T HN 0.131 nan 8.240 nan 0.000 0.468 141 V N 3.986 123.895 119.914 -0.010 0.000 2.815 141 V HA 0.551 4.670 4.120 -0.001 0.000 0.314 141 V C -0.258 175.703 176.094 -0.222 0.000 1.064 141 V CA -1.080 61.142 62.300 -0.129 0.000 0.952 141 V CB 1.940 33.642 31.823 -0.201 0.000 1.020 141 V HN 0.739 nan 8.190 nan 0.000 0.439 142 M N 3.463 122.787 119.600 -0.459 0.000 2.238 142 M HA 0.585 5.064 4.480 -0.001 0.000 0.350 142 M C -0.825 175.205 176.300 -0.450 0.000 1.138 142 M CA -0.128 54.830 55.300 -0.570 0.000 1.040 142 M CB 1.582 33.502 32.600 -1.135 0.000 1.639 142 M HN 0.412 nan 8.290 nan 0.000 0.451 143 V N 4.141 123.931 119.914 -0.207 0.000 2.531 143 V HA 0.599 4.719 4.120 -0.001 0.000 0.301 143 V C -1.097 174.974 176.094 -0.038 0.000 1.034 143 V CA -0.883 61.371 62.300 -0.076 0.000 0.865 143 V CB 2.003 33.838 31.823 0.020 0.000 0.995 143 V HN 0.871 nan 8.190 nan 0.000 0.424 144 N N 4.084 122.774 118.700 -0.016 0.000 2.519 144 N HA 0.574 5.314 4.740 -0.001 0.000 0.286 144 N C -0.872 174.593 175.510 -0.075 0.000 1.079 144 N CA -0.448 52.584 53.050 -0.030 0.000 0.878 144 N CB 1.823 40.325 38.487 0.026 0.000 1.375 144 N HN 0.582 nan 8.380 nan 0.000 0.514 145 I N 0.907 121.376 120.570 -0.168 0.000 2.529 145 I HA 0.150 4.319 4.170 -0.001 0.000 0.284 145 I C 0.420 176.449 176.117 -0.147 0.000 1.082 145 I CA 0.199 61.373 61.300 -0.210 0.000 1.406 145 I CB 0.773 38.454 38.000 -0.532 0.000 1.405 145 I HN 0.497 nan 8.210 nan 0.000 0.548 146 E N 6.183 126.335 120.200 -0.079 0.000 2.263 146 E HA 0.197 4.546 4.350 -0.001 0.000 0.268 146 E C -0.930 175.438 176.600 -0.387 0.000 0.884 146 E CA -0.850 55.445 56.400 -0.175 0.000 0.766 146 E CB 1.350 30.969 29.700 -0.135 0.000 1.196 146 E HN 0.679 nan 8.360 nan 0.000 0.416 147 N N 3.790 122.065 118.700 -0.709 0.000 2.327 147 N HA 0.177 4.916 4.740 -0.001 0.000 0.257 147 N C -2.006 172.951 175.510 -0.923 0.000 1.281 147 N CA -1.101 51.046 53.050 -1.505 0.000 0.942 147 N CB 0.015 37.693 38.487 -1.347 0.000 1.199 147 N HN 0.172 nan 8.380 nan 0.000 0.532 148 P HA -0.168 nan 4.420 nan 0.000 0.214 148 P C 1.174 178.296 177.300 -0.297 0.000 1.163 148 P CA 2.018 64.838 63.100 -0.467 0.000 0.883 148 P CB -0.100 31.403 31.700 -0.328 0.000 0.788 149 E N -0.559 119.485 120.200 -0.260 0.000 2.219 149 E HA -0.115 4.235 4.350 -0.001 0.000 0.198 149 E C 0.908 177.410 176.600 -0.164 0.000 0.998 149 E CA 1.303 57.601 56.400 -0.170 0.000 0.818 149 E CB -0.957 28.662 29.700 -0.135 0.000 0.741 149 E HN 0.259 nan 8.360 nan 0.000 0.477 150 G N 1.046 109.718 108.800 -0.213 0.000 2.189 150 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.113 150 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.113 150 G C -0.275 174.535 174.900 -0.149 0.000 1.038 150 G CA -0.190 44.804 45.100 -0.177 0.000 0.704 150 G HN 0.142 nan 8.290 nan 0.000 0.490 151 I N 0.977 121.443 120.570 -0.173 0.000 2.339 151 I HA 0.335 4.504 4.170 -0.001 0.000 0.290 151 I C -2.250 173.790 176.117 -0.128 0.000 0.994 151 I CA -2.895 58.331 61.300 -0.123 0.000 1.191 151 I CB 1.414 39.354 38.000 -0.099 0.000 1.343 151 I HN -0.148 nan 8.210 nan 0.000 0.458 152 P HA 0.021 nan 4.420 nan 0.000 0.269 152 P C 1.159 178.423 177.300 -0.059 0.000 1.263 152 P CA 0.042 63.095 63.100 -0.077 0.000 0.813 152 P CB 0.434 32.109 31.700 -0.041 0.000 0.868 153 V N 1.532 121.406 119.914 -0.067 0.000 2.649 153 V HA 0.107 4.227 4.120 -0.001 0.000 0.248 153 V C 0.749 176.834 176.094 -0.016 0.000 1.054 153 V CA 1.157 63.457 62.300 0.000 0.000 1.073 153 V CB -0.493 31.395 31.823 0.108 0.000 0.699 153 V HN 0.251 nan 8.190 nan 0.000 0.463 154 K N 0.595 120.913 120.400 -0.137 0.000 2.378 154 K HA 0.489 4.809 4.320 -0.001 0.000 0.252 154 K C -0.896 175.644 176.600 -0.101 0.000 0.931 154 K CA -0.538 55.670 56.287 -0.130 0.000 0.794 154 K CB 2.164 34.475 32.500 -0.315 0.000 1.181 154 K HN 0.492 nan 8.250 nan 0.000 0.425 155 Q N 1.434 121.213 119.800 -0.035 0.000 2.385 155 Q HA 0.440 4.780 4.340 -0.001 0.000 0.262 155 Q C -1.147 174.850 176.000 -0.006 0.000 1.050 155 Q CA -0.934 54.858 55.803 -0.018 0.000 0.903 155 Q CB 1.810 30.549 28.738 0.002 0.000 1.325 155 Q HN 0.578 nan 8.270 nan 0.000 0.485 156 D N -0.756 119.636 120.400 -0.013 0.000 2.807 156 D HA 0.257 4.896 4.640 -0.001 0.000 0.279 156 D C -1.750 174.524 176.300 -0.044 0.000 1.247 156 D CA -0.221 53.770 54.000 -0.014 0.000 0.749 156 D CB 1.881 42.682 40.800 0.002 0.000 1.264 156 D HN 0.334 nan 8.370 nan 0.000 0.421 157 S N 1.268 116.943 115.700 -0.041 0.000 2.536 157 S HA 0.519 4.989 4.470 -0.001 0.000 0.246 157 S C -1.647 172.928 174.600 -0.042 0.000 1.077 157 S CA -0.687 57.479 58.200 -0.057 0.000 1.091 157 S CB 0.127 63.302 63.200 -0.041 0.000 1.148 157 S HN 0.298 nan 8.310 nan 0.000 0.447 158 L N 2.233 123.425 121.223 -0.052 0.000 2.298 158 L HA 0.743 5.082 4.340 -0.001 0.000 0.268 158 L C 0.417 177.269 176.870 -0.030 0.000 1.010 158 L CA -0.720 54.094 54.840 -0.043 0.000 0.812 158 L CB 1.714 43.738 42.059 -0.058 0.000 1.331 158 L HN 0.675 nan 8.230 nan 0.000 0.450 159 S N -0.818 114.868 115.700 -0.023 0.000 2.500 159 S HA 0.366 4.835 4.470 -0.001 0.000 0.301 159 S C 0.211 174.804 174.600 -0.012 0.000 1.092 159 S CA -0.416 57.780 58.200 -0.007 0.000 1.030 159 S CB 1.255 64.454 63.200 -0.002 0.000 1.031 159 S HN 0.600 nan 8.310 nan 0.000 0.483 160 S N 3.225 118.928 115.700 0.004 0.000 2.602 160 S HA 0.261 4.730 4.470 -0.001 0.000 0.246 160 S C 0.147 174.751 174.600 0.007 0.000 1.009 160 S CA -0.450 57.749 58.200 -0.000 0.000 1.052 160 S CB -0.155 63.054 63.200 0.014 0.000 0.778 160 S HN 0.689 nan 8.310 nan 0.000 0.455 161 Q N 2.358 122.160 119.800 0.003 0.000 2.352 161 Q HA 0.304 4.643 4.340 -0.001 0.000 0.260 161 Q C 0.561 176.560 176.000 -0.000 0.000 0.976 161 Q CA 0.482 56.288 55.803 0.004 0.000 0.881 161 Q CB 0.062 28.801 28.738 0.002 0.000 1.235 161 Q HN 0.494 nan 8.270 nan 0.000 0.419 162 N N 2.177 120.879 118.700 0.003 0.000 2.678 162 N HA -0.277 4.462 4.740 -0.001 0.000 0.250 162 N C -0.262 175.248 175.510 -0.000 0.000 1.136 162 N CA 0.748 53.799 53.050 0.002 0.000 0.757 162 N CB -0.238 38.248 38.487 -0.001 0.000 1.135 162 N HN 0.552 nan 8.380 nan 0.000 0.565 163 Q N 0.680 120.480 119.800 0.001 0.000 2.198 163 Q HA 0.306 4.645 4.340 -0.001 0.000 0.209 163 Q C 0.637 176.639 176.000 0.004 0.000 0.848 163 Q CA -0.232 55.568 55.803 -0.006 0.000 0.974 163 Q CB 0.296 29.023 28.738 -0.017 0.000 1.115 163 Q HN 0.345 nan 8.270 nan 0.000 0.494 164 L N 0.112 121.345 121.223 0.017 0.000 3.858 164 L HA -0.294 4.046 4.340 -0.001 0.000 0.425 164 L C 0.823 177.724 176.870 0.052 0.000 1.177 164 L CA 1.418 56.277 54.840 0.032 0.000 0.943 164 L CB -2.468 39.609 42.059 0.029 0.000 1.861 164 L HN 0.622 nan 8.230 nan 0.000 0.985 165 G N -0.999 107.829 108.800 0.046 0.000 2.221 165 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.265 165 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.265 165 G C 0.073 175.012 174.900 0.064 0.000 1.041 165 G CA 0.281 45.423 45.100 0.069 0.000 0.807 165 G HN 0.438 nan 8.290 nan 0.000 0.502 166 V N 0.498 120.404 119.914 -0.014 0.000 2.482 166 V HA 0.537 4.657 4.120 -0.001 0.000 0.295 166 V C 0.281 176.272 176.094 -0.171 0.000 1.026 166 V CA -0.713 61.503 62.300 -0.140 0.000 0.856 166 V CB 1.910 33.662 31.823 -0.119 0.000 1.001 166 V HN 0.276 nan 8.190 nan 0.000 0.424 167 L N 7.953 129.036 121.223 -0.234 0.000 2.321 167 L HA 0.426 4.765 4.340 -0.001 0.000 0.272 167 L C -2.179 174.532 176.870 -0.266 0.000 1.050 167 L CA -1.491 53.228 54.840 -0.201 0.000 0.893 167 L CB 1.764 43.724 42.059 -0.165 0.000 1.272 167 L HN 0.423 nan 8.230 nan 0.000 0.435 168 P HA 0.302 nan 4.420 nan 0.000 0.275 168 P C -0.757 176.345 177.300 -0.330 0.000 1.227 168 P CA -0.028 62.907 63.100 -0.276 0.000 0.781 168 P CB 1.761 33.346 31.700 -0.191 0.000 0.906 169 L N 1.247 122.160 121.223 -0.517 0.000 2.630 169 L HA 0.623 4.962 4.340 -0.001 0.000 0.258 169 L C -0.174 176.295 176.870 -0.668 0.000 1.072 169 L CA -0.666 53.788 54.840 -0.643 0.000 0.885 169 L CB 2.263 43.729 42.059 -0.988 0.000 1.502 169 L HN 0.543 nan 8.230 nan 0.000 0.406 170 S N -1.063 114.432 115.700 -0.341 0.000 2.587 170 S HA 0.713 5.182 4.470 -0.001 0.000 0.269 170 S C -2.244 172.531 174.600 0.292 0.000 1.154 170 S CA -0.780 57.422 58.200 0.004 0.000 0.824 170 S CB 2.200 65.378 63.200 -0.037 0.000 1.118 170 S HN 0.699 nan 8.310 nan 0.000 0.462 171 W N 1.483 122.816 121.300 0.055 0.000 3.624 171 W HA 0.533 5.193 4.660 -0.001 0.000 0.312 171 W C -2.292 174.177 176.519 -0.084 0.000 1.203 171 W CA -0.349 57.003 57.345 0.012 0.000 1.225 171 W CB 1.182 30.675 29.460 0.056 0.000 1.321 171 W HN 0.700 nan 8.180 nan 0.000 0.506 172 D N 5.599 125.534 120.400 -0.775 0.000 2.312 172 D HA 0.279 4.918 4.640 -0.001 0.000 0.252 172 D C 0.301 175.719 176.300 -1.470 0.000 1.150 172 D CA 0.234 53.743 54.000 -0.820 0.000 0.870 172 D CB 1.217 41.736 40.800 -0.468 0.000 1.153 172 D HN 0.314 nan 8.370 nan 0.000 0.457 173 I N 4.744 124.622 120.570 -1.154 0.000 2.452 173 I HA 0.102 4.271 4.170 -0.001 0.000 0.287 173 I C -1.774 174.011 176.117 -0.554 0.000 1.079 173 I CA -1.602 59.070 61.300 -1.047 0.000 1.387 173 I CB 0.496 38.116 38.000 -0.634 0.000 1.404 173 I HN 0.073 nan 8.210 nan 0.000 0.522 174 P HA 0.036 nan 4.420 nan 0.000 0.272 174 P C 0.230 177.460 177.300 -0.117 0.000 1.223 174 P CA -0.157 62.837 63.100 -0.177 0.000 0.784 174 P CB 0.947 32.617 31.700 -0.051 0.000 0.923 175 E N 0.690 120.840 120.200 -0.083 0.000 2.110 175 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 175 E C 0.545 177.134 176.600 -0.018 0.000 0.988 175 E CA 1.008 57.374 56.400 -0.057 0.000 0.804 175 E CB -0.057 29.614 29.700 -0.049 0.000 0.745 175 E HN 0.464 nan 8.360 nan 0.000 0.458 176 L N 1.381 122.607 121.223 0.005 0.000 2.255 176 L HA 0.278 4.617 4.340 -0.001 0.000 0.289 176 L C -0.242 176.674 176.870 0.078 0.000 1.046 176 L CA -0.373 54.489 54.840 0.037 0.000 0.816 176 L CB 1.394 43.475 42.059 0.036 0.000 1.197 176 L HN -0.187 nan 8.230 nan 0.000 0.427 177 V N 3.056 123.034 119.914 0.108 0.000 3.264 177 V HA 0.333 4.452 4.120 -0.001 0.000 0.294 177 V C -1.057 175.173 176.094 0.227 0.000 1.429 177 V CA -0.908 61.515 62.300 0.204 0.000 1.053 177 V CB 2.884 34.852 31.823 0.243 0.000 1.128 177 V HN 0.650 nan 8.190 nan 0.000 0.452 178 N N 2.853 121.740 118.700 0.311 0.000 2.475 178 N HA 0.328 5.067 4.740 -0.001 0.000 0.267 178 N C -0.337 175.380 175.510 0.345 0.000 1.169 178 N CA -0.130 53.069 53.050 0.249 0.000 0.947 178 N CB 0.890 39.466 38.487 0.150 0.000 1.061 178 N HN 0.539 nan 8.380 nan 0.000 0.466 179 M N 1.753 121.488 119.600 0.225 0.000 2.219 179 M HA 0.332 4.811 4.480 -0.001 0.000 0.353 179 M C 0.995 177.423 176.300 0.213 0.000 1.304 179 M CA 0.355 55.789 55.300 0.222 0.000 1.115 179 M CB 0.367 33.051 32.600 0.140 0.000 1.664 179 M HN 0.738 nan 8.290 nan 0.000 0.459 180 G N 2.277 111.238 108.800 0.268 0.000 2.367 180 G HA2 0.155 4.114 3.960 -0.001 0.000 0.272 180 G HA3 0.155 4.114 3.960 -0.001 0.000 0.272 180 G C -1.782 173.253 174.900 0.224 0.000 1.271 180 G CA -0.912 44.293 45.100 0.174 0.000 0.893 180 G HN 0.408 nan 8.290 nan 0.000 0.485 181 Q N 0.186 120.033 119.800 0.078 0.000 2.390 181 Q HA 0.374 4.713 4.340 -0.001 0.000 0.249 181 Q C -1.136 174.816 176.000 -0.080 0.000 0.996 181 Q CA -0.097 55.725 55.803 0.031 0.000 0.899 181 Q CB 1.283 30.014 28.738 -0.012 0.000 1.216 181 Q HN 0.424 nan 8.270 nan 0.000 0.465 182 W N 2.126 123.136 121.300 -0.483 0.000 2.359 182 W HA 0.370 5.029 4.660 -0.001 0.000 0.344 182 W C 0.133 176.318 176.519 -0.556 0.000 1.170 182 W CA -0.377 56.586 57.345 -0.637 0.000 1.296 182 W CB 0.814 29.596 29.460 -1.129 0.000 1.197 182 W HN 0.250 nan 8.180 nan 0.000 0.618 183 K N 1.664 122.007 120.400 -0.095 0.000 2.340 183 K HA 0.642 4.962 4.320 -0.001 0.000 0.244 183 K C -0.943 175.725 176.600 0.112 0.000 0.973 183 K CA -0.590 55.708 56.287 0.019 0.000 0.828 183 K CB 1.888 34.375 32.500 -0.022 0.000 1.226 183 K HN 0.289 nan 8.250 nan 0.000 0.437 184 I N 2.732 123.379 120.570 0.127 0.000 2.595 184 I HA 0.277 4.446 4.170 -0.001 0.000 0.275 184 I C -0.576 175.575 176.117 0.057 0.000 1.092 184 I CA -0.573 60.753 61.300 0.044 0.000 1.145 184 I CB 0.795 38.767 38.000 -0.047 0.000 1.276 184 I HN 0.283 nan 8.210 nan 0.000 0.497 185 R N 4.064 124.597 120.500 0.055 0.000 2.265 185 R HA 0.770 5.110 4.340 -0.001 0.000 0.314 185 R C -0.267 176.109 176.300 0.127 0.000 1.053 185 R CA -0.306 55.854 56.100 0.100 0.000 0.931 185 R CB 1.889 32.240 30.300 0.086 0.000 1.024 185 R HN 0.566 nan 8.270 nan 0.000 0.457 186 A N 3.073 125.994 122.820 0.168 0.000 2.423 186 A HA 0.759 5.078 4.320 -0.001 0.000 0.304 186 A C -1.487 176.247 177.584 0.251 0.000 1.104 186 A CA -0.801 51.303 52.037 0.112 0.000 0.757 186 A CB 1.328 20.348 19.000 0.034 0.000 1.313 186 A HN 0.775 nan 8.150 nan 0.000 0.423 187 Y N -2.131 118.188 120.300 0.032 0.000 2.558 187 Y HA 0.638 5.188 4.550 -0.001 0.000 0.333 187 Y C -1.189 174.723 175.900 0.020 0.000 1.125 187 Y CA -1.459 56.671 58.100 0.051 0.000 1.039 187 Y CB 0.459 38.942 38.460 0.038 0.000 1.331 187 Y HN 0.615 nan 8.280 nan 0.000 0.456 188 Y N 2.523 122.946 120.300 0.204 0.000 2.610 188 Y HA -0.018 4.531 4.550 -0.001 0.000 0.332 188 Y C 1.905 177.882 175.900 0.128 0.000 1.201 188 Y CA 0.610 58.764 58.100 0.091 0.000 1.465 188 Y CB 0.946 39.458 38.460 0.087 0.000 1.283 188 Y HN 0.921 nan 8.280 nan 0.000 0.563 189 E N 2.134 122.467 120.200 0.222 0.000 2.130 189 E HA -0.310 4.040 4.350 -0.001 0.000 0.196 189 E C 0.748 177.470 176.600 0.202 0.000 0.998 189 E CA 1.547 58.048 56.400 0.168 0.000 0.806 189 E CB 0.065 29.823 29.700 0.097 0.000 0.738 189 E HN 0.731 nan 8.360 nan 0.000 0.459 190 N N -0.209 118.598 118.700 0.178 0.000 2.398 190 N HA 0.006 4.745 4.740 -0.001 0.000 0.188 190 N C -0.343 175.248 175.510 0.134 0.000 1.122 190 N CA 0.303 53.426 53.050 0.121 0.000 0.866 190 N CB 0.967 39.483 38.487 0.049 0.000 0.970 190 N HN -0.118 nan 8.380 nan 0.000 0.462 191 S N 0.811 116.637 115.700 0.211 0.000 2.235 191 S HA 0.263 4.732 4.470 -0.001 0.000 0.152 191 S C -1.971 172.740 174.600 0.184 0.000 1.649 191 S CA -0.808 57.498 58.200 0.177 0.000 1.277 191 S CB 1.818 65.134 63.200 0.194 0.000 1.299 191 S HN -0.019 nan 8.310 nan 0.000 0.388 192 P HA -0.206 nan 4.420 nan 0.000 0.217 192 P C 1.640 178.779 177.300 -0.268 0.000 1.148 192 P CA 1.165 64.178 63.100 -0.145 0.000 0.828 192 P CB 0.110 31.744 31.700 -0.110 0.000 0.783 193 Q N -0.697 119.033 119.800 -0.117 0.000 2.425 193 Q HA -0.028 4.311 4.340 -0.001 0.000 0.204 193 Q C 0.669 176.595 176.000 -0.122 0.000 0.933 193 Q CA 0.594 56.324 55.803 -0.122 0.000 0.939 193 Q CB -0.194 28.502 28.738 -0.070 0.000 1.044 193 Q HN 0.308 nan 8.270 nan 0.000 0.513 194 Q N 1.042 120.781 119.800 -0.102 0.000 2.400 194 Q HA 0.453 4.792 4.340 -0.001 0.000 0.255 194 Q C -1.716 174.123 176.000 -0.269 0.000 1.008 194 Q CA -0.346 55.338 55.803 -0.197 0.000 0.841 194 Q CB 1.603 30.259 28.738 -0.136 0.000 1.220 194 Q HN 0.028 nan 8.270 nan 0.000 0.474 195 V N 5.779 125.489 119.914 -0.340 0.000 2.378 195 V HA 0.439 4.558 4.120 -0.001 0.000 0.288 195 V C -0.807 175.121 176.094 -0.276 0.000 1.016 195 V CA -0.570 61.618 62.300 -0.186 0.000 0.840 195 V CB 0.690 32.461 31.823 -0.086 0.000 0.994 195 V HN 0.641 nan 8.190 nan 0.000 0.431 196 F N 2.397 122.391 119.950 0.074 0.000 2.394 196 F HA 0.692 5.219 4.527 -0.001 0.000 0.340 196 F C 0.829 176.674 175.800 0.076 0.000 1.105 196 F CA -0.122 57.919 58.000 0.068 0.000 1.124 196 F CB 1.652 40.670 39.000 0.029 0.000 1.145 196 F HN 0.403 nan 8.300 nan 0.000 0.505 197 S N 0.426 116.277 115.700 0.251 0.000 2.569 197 S HA 0.774 5.243 4.470 -0.001 0.000 0.280 197 S C -0.940 173.768 174.600 0.179 0.000 1.111 197 S CA -0.964 57.340 58.200 0.173 0.000 0.887 197 S CB 2.127 65.392 63.200 0.109 0.000 1.095 197 S HN 0.518 nan 8.310 nan 0.000 0.476 198 T N 1.761 116.416 114.554 0.168 0.000 2.881 198 T HA 0.423 4.773 4.350 -0.001 0.000 0.290 198 T C -0.843 173.982 174.700 0.209 0.000 1.000 198 T CA -0.740 61.471 62.100 0.186 0.000 0.978 198 T CB 1.558 70.549 68.868 0.206 0.000 0.997 198 T HN 0.556 nan 8.240 nan 0.000 0.443 199 E N 1.822 122.133 120.200 0.185 0.000 2.313 199 E HA 0.612 4.961 4.350 -0.001 0.000 0.272 199 E C -0.922 175.867 176.600 0.314 0.000 1.038 199 E CA -0.647 55.853 56.400 0.167 0.000 0.863 199 E CB 0.953 30.708 29.700 0.091 0.000 1.060 199 E HN 0.605 nan 8.360 nan 0.000 0.402 200 F N -0.904 119.167 119.950 0.202 0.000 2.596 200 F HA 0.406 4.932 4.527 -0.001 0.000 0.311 200 F C -0.704 175.260 175.800 0.274 0.000 1.116 200 F CA -1.151 56.994 58.000 0.242 0.000 0.957 200 F CB 1.028 40.224 39.000 0.326 0.000 1.250 200 F HN 0.271 nan 8.300 nan 0.000 0.444 201 E N 2.526 122.908 120.200 0.304 0.000 2.301 201 E HA 0.587 4.936 4.350 -0.001 0.000 0.275 201 E C -1.513 175.269 176.600 0.304 0.000 1.030 201 E CA -0.751 55.777 56.400 0.212 0.000 0.852 201 E CB 1.690 31.477 29.700 0.145 0.000 1.060 201 E HN 0.663 nan 8.360 nan 0.000 0.401 202 V N 4.834 124.887 119.914 0.232 0.000 2.495 202 V HA 0.509 4.628 4.120 -0.001 0.000 0.298 202 V C -0.329 175.894 176.094 0.215 0.000 1.031 202 V CA -0.520 61.907 62.300 0.212 0.000 0.871 202 V CB 1.564 33.403 31.823 0.027 0.000 0.988 202 V HN 0.697 nan 8.190 nan 0.000 0.432 203 K N 3.010 123.555 120.400 0.243 0.000 2.598 203 K HA 0.395 4.715 4.320 -0.001 0.000 0.271 203 K C -1.263 175.480 176.600 0.238 0.000 0.947 203 K CA -0.679 55.749 56.287 0.235 0.000 0.854 203 K CB 2.207 34.851 32.500 0.239 0.000 1.401 203 K HN 0.733 nan 8.250 nan 0.000 0.415 204 E N 2.894 123.174 120.200 0.133 0.000 2.194 204 E HA 0.259 4.608 4.350 -0.001 0.000 0.284 204 E C -1.191 175.466 176.600 0.096 0.000 1.035 204 E CA -0.278 56.130 56.400 0.013 0.000 0.836 204 E CB 0.557 30.259 29.700 0.003 0.000 1.070 204 E HN 0.423 nan 8.360 nan 0.000 0.401 205 Y N -0.460 119.839 120.300 -0.002 0.000 2.725 205 Y HA 0.618 5.167 4.550 -0.001 0.000 0.333 205 Y C -1.235 174.654 175.900 -0.019 0.000 1.242 205 Y CA -1.446 56.646 58.100 -0.013 0.000 1.059 205 Y CB 0.592 39.039 38.460 -0.021 0.000 1.306 205 Y HN 0.192 nan 8.280 nan 0.000 0.454 206 V N -0.205 119.836 119.914 0.212 0.000 2.914 206 V HA 0.697 4.816 4.120 -0.001 0.000 0.314 206 V C -0.906 175.314 176.094 0.210 0.000 1.084 206 V CA -1.204 61.184 62.300 0.147 0.000 0.963 206 V CB 1.703 33.561 31.823 0.058 0.000 1.025 206 V HN 0.787 nan 8.190 nan 0.000 0.432 207 L N 4.762 126.071 121.223 0.144 0.000 2.416 207 L HA 0.491 4.830 4.340 -0.001 0.000 0.272 207 L C -1.634 175.242 176.870 0.010 0.000 1.161 207 L CA -0.812 54.060 54.840 0.054 0.000 0.845 207 L CB -0.159 41.915 42.059 0.025 0.000 1.119 207 L HN 0.699 nan 8.230 nan 0.000 0.464 208 P HA 0.177 nan 4.420 nan 0.000 0.274 208 P C 0.134 177.424 177.300 -0.016 0.000 1.256 208 P CA -0.435 62.604 63.100 -0.103 0.000 0.795 208 P CB 0.691 32.209 31.700 -0.302 0.000 1.038 209 S N -0.484 115.278 115.700 0.104 0.000 2.501 209 S HA 0.150 4.620 4.470 -0.001 0.000 0.220 209 S C 0.561 175.386 174.600 0.375 0.000 0.997 209 S CA -0.161 58.219 58.200 0.300 0.000 0.919 209 S CB -0.874 62.614 63.200 0.481 0.000 0.778 209 S HN 0.565 nan 8.310 nan 0.000 0.523 210 F N 0.593 120.552 119.950 0.015 0.000 2.664 210 F HA 0.835 5.361 4.527 -0.001 0.000 0.317 210 F C -0.898 174.839 175.800 -0.105 0.000 1.108 210 F CA -1.303 56.628 58.000 -0.114 0.000 0.957 210 F CB 0.995 39.765 39.000 -0.383 0.000 1.365 210 F HN 0.139 nan 8.300 nan 0.000 0.475 211 E N 0.780 120.971 120.200 -0.015 0.000 2.263 211 E HA 0.769 5.118 4.350 -0.001 0.000 0.264 211 E C -1.989 174.626 176.600 0.025 0.000 0.923 211 E CA -1.147 55.203 56.400 -0.085 0.000 0.802 211 E CB 2.647 32.328 29.700 -0.032 0.000 1.228 211 E HN 0.562 nan 8.360 nan 0.000 0.417 212 V N 2.631 122.532 119.914 -0.022 0.000 2.709 212 V HA 0.440 4.559 4.120 -0.001 0.000 0.308 212 V C -0.671 175.419 176.094 -0.007 0.000 1.062 212 V CA -0.664 61.647 62.300 0.018 0.000 0.901 212 V CB 1.732 33.571 31.823 0.027 0.000 1.003 212 V HN 0.664 nan 8.190 nan 0.000 0.425 213 I N 5.025 125.593 120.570 -0.004 0.000 2.447 213 I HA 0.482 4.651 4.170 -0.001 0.000 0.287 213 I C -0.599 175.512 176.117 -0.010 0.000 1.023 213 I CA -0.947 60.349 61.300 -0.007 0.000 1.083 213 I CB 2.163 40.161 38.000 -0.003 0.000 1.245 213 I HN 0.486 nan 8.210 nan 0.000 0.434 214 V N 3.902 123.809 119.914 -0.012 0.000 2.313 214 V HA 0.622 4.742 4.120 -0.001 0.000 0.278 214 V C -0.416 175.678 176.094 -0.001 0.000 1.017 214 V CA -0.254 62.037 62.300 -0.015 0.000 0.823 214 V CB 1.186 32.990 31.823 -0.032 0.000 1.010 214 V HN 0.855 nan 8.190 nan 0.000 0.443 215 E N 5.895 126.097 120.200 0.004 0.000 2.246 215 E HA 0.644 4.993 4.350 -0.001 0.000 0.266 215 E C -3.133 173.475 176.600 0.014 0.000 0.880 215 E CA -2.169 54.237 56.400 0.011 0.000 0.762 215 E CB 2.960 32.665 29.700 0.008 0.000 1.180 215 E HN 0.490 nan 8.360 nan 0.000 0.416 216 P HA 0.037 nan 4.420 nan 0.000 0.279 216 P C 0.990 178.279 177.300 -0.018 0.000 1.252 216 P CA -0.281 62.825 63.100 0.011 0.000 0.811 216 P CB 1.311 33.020 31.700 0.015 0.000 1.035 217 T N -2.159 112.374 114.554 -0.033 0.000 2.833 217 T HA -0.048 4.302 4.350 -0.001 0.000 0.269 217 T C 0.606 175.254 174.700 -0.086 0.000 1.054 217 T CA 1.154 63.226 62.100 -0.047 0.000 1.135 217 T CB -0.253 68.589 68.868 -0.043 0.000 0.869 217 T HN 0.346 nan 8.240 nan 0.000 0.466 218 E N 0.544 120.647 120.200 -0.162 0.000 2.277 218 E HA 0.367 4.717 4.350 -0.001 0.000 0.266 218 E C -0.273 176.191 176.600 -0.225 0.000 0.901 218 E CA -0.695 55.534 56.400 -0.285 0.000 0.782 218 E CB 1.838 31.130 29.700 -0.680 0.000 1.228 218 E HN 0.260 nan 8.360 nan 0.000 0.424 219 K N 1.972 122.327 120.400 -0.075 0.000 2.790 219 K HA 0.159 4.478 4.320 -0.001 0.000 0.229 219 K C -0.128 176.612 176.600 0.232 0.000 1.040 219 K CA 0.158 56.497 56.287 0.087 0.000 1.211 219 K CB -0.652 31.931 32.500 0.139 0.000 1.002 219 K HN 0.308 nan 8.250 nan 0.000 0.479 220 F N -2.939 117.042 119.950 0.052 0.000 3.194 220 F HA 0.370 4.896 4.527 -0.001 0.000 0.327 220 F C -1.974 173.920 175.800 0.157 0.000 1.141 220 F CA -1.812 56.232 58.000 0.074 0.000 0.862 220 F CB 0.792 39.803 39.000 0.017 0.000 1.447 220 F HN -0.145 nan 8.300 nan 0.000 0.479 221 Y N 1.950 122.388 120.300 0.230 0.000 2.322 221 Y HA 0.473 5.022 4.550 -0.001 0.000 0.324 221 Y C -1.757 174.307 175.900 0.273 0.000 1.027 221 Y CA -1.818 56.345 58.100 0.106 0.000 1.179 221 Y CB 0.924 39.388 38.460 0.006 0.000 1.136 221 Y HN 0.753 nan 8.280 nan 0.000 0.449 222 Y N 8.256 128.346 120.300 -0.351 0.000 2.531 222 Y HA 0.202 4.751 4.550 -0.001 0.000 0.347 222 Y C 1.328 176.742 175.900 -0.810 0.000 1.024 222 Y CA -0.642 57.251 58.100 -0.345 0.000 1.306 222 Y CB 0.478 38.910 38.460 -0.046 0.000 1.149 222 Y HN 0.737 nan 8.280 nan 0.000 0.527 223 I N 2.601 122.569 120.570 -1.003 0.000 2.315 223 I HA -0.299 3.870 4.170 -0.001 0.000 0.251 223 I C 0.287 175.809 176.117 -0.992 0.000 1.125 223 I CA 1.446 62.156 61.300 -0.984 0.000 1.392 223 I CB -0.639 36.852 38.000 -0.849 0.000 1.065 223 I HN 0.467 nan 8.210 nan 0.000 0.424 224 Y N 1.683 121.326 120.300 -1.096 0.000 2.801 224 Y HA 0.322 4.872 4.550 -0.001 0.000 0.340 224 Y C 0.286 175.948 175.900 -0.396 0.000 1.088 224 Y CA -1.103 56.592 58.100 -0.676 0.000 1.444 224 Y CB -0.995 37.123 38.460 -0.570 0.000 1.251 224 Y HN 0.222 nan 8.280 nan 0.000 0.522 225 N N 1.118 119.676 118.700 -0.237 0.000 2.457 225 N HA 0.102 4.841 4.740 -0.001 0.000 0.250 225 N C 0.606 176.167 175.510 0.086 0.000 0.982 225 N CA -0.056 53.014 53.050 0.034 0.000 0.941 225 N CB 0.785 39.304 38.487 0.053 0.000 1.120 225 N HN 0.308 nan 8.380 nan 0.000 0.505 226 E N 2.180 122.431 120.200 0.085 0.000 2.150 226 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 226 E C 0.847 177.484 176.600 0.062 0.000 0.985 226 E CA 0.886 57.326 56.400 0.066 0.000 0.814 226 E CB 0.239 29.969 29.700 0.050 0.000 0.752 226 E HN 0.602 nan 8.360 nan 0.000 0.466 227 K N 0.237 120.680 120.400 0.072 0.000 2.211 227 K HA -0.076 4.244 4.320 -0.001 0.000 0.204 227 K C 1.021 177.641 176.600 0.033 0.000 1.047 227 K CA 0.645 56.960 56.287 0.047 0.000 0.935 227 K CB -0.072 32.456 32.500 0.047 0.000 0.728 227 K HN 0.221 nan 8.250 nan 0.000 0.452 228 G N 0.863 109.722 108.800 0.098 0.000 2.615 228 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 228 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 228 G C -1.351 173.500 174.900 -0.082 0.000 1.339 228 G CA -0.473 44.619 45.100 -0.013 0.000 0.884 228 G HN 0.138 nan 8.290 nan 0.000 0.559 229 L N 1.517 122.503 121.223 -0.395 0.000 2.264 229 L HA 0.620 4.959 4.340 -0.001 0.000 0.287 229 L C 0.408 177.158 176.870 -0.200 0.000 1.039 229 L CA -0.441 54.194 54.840 -0.342 0.000 0.829 229 L CB 0.625 42.350 42.059 -0.558 0.000 1.211 229 L HN 0.570 nan 8.230 nan 0.000 0.427 230 E N 4.031 124.182 120.200 -0.081 0.000 2.227 230 E HA 0.503 4.852 4.350 -0.001 0.000 0.282 230 E C -1.089 175.522 176.600 0.018 0.000 1.015 230 E CA -0.579 55.804 56.400 -0.027 0.000 0.823 230 E CB 2.097 31.784 29.700 -0.021 0.000 1.081 230 E HN 0.379 nan 8.360 nan 0.000 0.396 231 V N 2.546 122.501 119.914 0.067 0.000 2.789 231 V HA 0.308 4.427 4.120 -0.001 0.000 0.311 231 V C -0.271 175.847 176.094 0.040 0.000 1.073 231 V CA -0.766 61.579 62.300 0.076 0.000 0.921 231 V CB 2.395 34.308 31.823 0.150 0.000 1.009 231 V HN 0.673 nan 8.190 nan 0.000 0.426 232 T N 5.646 120.210 114.554 0.017 0.000 2.770 232 T HA 0.558 4.908 4.350 -0.001 0.000 0.283 232 T C -0.362 174.333 174.700 -0.008 0.000 0.988 232 T CA -0.276 61.825 62.100 0.002 0.000 0.957 232 T CB 0.681 69.549 68.868 -0.001 0.000 0.930 232 T HN 0.290 nan 8.240 nan 0.000 0.443 233 I N 3.935 124.494 120.570 -0.018 0.000 2.365 233 I HA 0.337 4.507 4.170 -0.001 0.000 0.291 233 I C 0.432 176.530 176.117 -0.031 0.000 1.004 233 I CA -0.467 60.816 61.300 -0.028 0.000 1.311 233 I CB 0.969 38.943 38.000 -0.042 0.000 1.401 233 I HN 0.586 nan 8.210 nan 0.000 0.491 234 T N 5.195 119.733 114.554 -0.025 0.000 2.930 234 T HA 0.648 4.997 4.350 -0.001 0.000 0.313 234 T C -0.096 174.588 174.700 -0.027 0.000 1.019 234 T CA -0.572 61.511 62.100 -0.029 0.000 1.004 234 T CB 1.480 70.338 68.868 -0.018 0.000 0.987 234 T HN 0.695 nan 8.240 nan 0.000 0.456 235 A N 3.602 126.390 122.820 -0.054 0.000 2.304 235 A HA 0.892 5.211 4.320 -0.001 0.000 0.323 235 A C -0.041 177.466 177.584 -0.129 0.000 1.195 235 A CA -0.856 51.152 52.037 -0.048 0.000 0.826 235 A CB 1.000 19.947 19.000 -0.090 0.000 1.184 235 A HN 0.758 nan 8.150 nan 0.000 0.496 236 R N 1.997 122.446 120.500 -0.085 0.000 2.548 236 R HA 0.487 4.827 4.340 -0.001 0.000 0.280 236 R C -1.616 174.610 176.300 -0.123 0.000 1.061 236 R CA -0.607 55.419 56.100 -0.123 0.000 0.915 236 R CB 0.973 31.250 30.300 -0.037 0.000 1.210 236 R HN 0.618 nan 8.270 nan 0.000 0.442 237 F N 4.058 123.908 119.950 -0.166 0.000 2.607 237 F HA 0.010 4.536 4.527 -0.001 0.000 0.374 237 F C 1.631 177.195 175.800 -0.392 0.000 1.104 237 F CA 0.274 58.051 58.000 -0.372 0.000 1.296 237 F CB 0.531 38.974 39.000 -0.927 0.000 1.085 237 F HN 0.530 nan 8.300 nan 0.000 0.584 238 L N 2.881 124.060 121.223 -0.072 0.000 2.353 238 L HA -0.251 4.088 4.340 -0.001 0.000 0.220 238 L C 1.636 178.524 176.870 0.030 0.000 1.133 238 L CA 0.972 55.807 54.840 -0.007 0.000 0.798 238 L CB -0.679 41.408 42.059 0.046 0.000 0.922 238 L HN 0.745 nan 8.230 nan 0.000 0.445 239 Y N -2.385 118.003 120.300 0.146 0.000 2.490 239 Y HA 0.482 5.032 4.550 -0.001 0.000 0.281 239 Y C 1.592 177.546 175.900 0.090 0.000 1.174 239 Y CA 0.057 58.209 58.100 0.087 0.000 1.295 239 Y CB -0.321 38.164 38.460 0.042 0.000 1.062 239 Y HN 0.019 nan 8.280 nan 0.000 0.522 240 G N -0.478 108.369 108.800 0.078 0.000 2.699 240 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.198 240 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.198 240 G C 0.133 175.097 174.900 0.106 0.000 1.033 240 G CA -0.634 44.531 45.100 0.108 0.000 0.728 240 G HN 0.067 nan 8.290 nan 0.000 0.484 241 K N 1.859 122.362 120.400 0.171 0.000 2.355 241 K HA 0.385 4.704 4.320 -0.001 0.000 0.270 241 K C 0.646 177.356 176.600 0.183 0.000 1.003 241 K CA -0.047 56.372 56.287 0.219 0.000 0.957 241 K CB 0.756 33.468 32.500 0.353 0.000 0.939 241 K HN 0.452 nan 8.250 nan 0.000 0.482 242 K N 0.592 121.064 120.400 0.120 0.000 2.319 242 K HA 0.173 4.492 4.320 -0.001 0.000 0.265 242 K C -0.028 176.568 176.600 -0.006 0.000 1.000 242 K CA -0.383 55.920 56.287 0.026 0.000 0.943 242 K CB 0.637 33.148 32.500 0.018 0.000 0.950 242 K HN 0.149 nan 8.250 nan 0.000 0.485 243 V N 2.512 122.308 119.914 -0.197 0.000 2.630 243 V HA 0.185 4.305 4.120 -0.001 0.000 0.305 243 V C -0.361 175.580 176.094 -0.255 0.000 1.046 243 V CA -0.653 61.402 62.300 -0.409 0.000 0.934 243 V CB 1.743 33.093 31.823 -0.789 0.000 1.003 243 V HN 0.676 nan 8.190 nan 0.000 0.451 244 E N 2.623 122.691 120.200 -0.221 0.000 2.176 244 E HA 0.725 5.074 4.350 -0.001 0.000 0.267 244 E C 0.113 176.467 176.600 -0.410 0.000 0.893 244 E CA -0.137 56.174 56.400 -0.148 0.000 0.761 244 E CB 2.269 32.018 29.700 0.081 0.000 1.133 244 E HN 0.912 nan 8.360 nan 0.000 0.409 245 G N 1.321 109.771 108.800 -0.584 0.000 2.474 245 G HA2 0.355 4.314 3.960 -0.001 0.000 0.234 245 G HA3 0.355 4.314 3.960 -0.001 0.000 0.234 245 G C -1.089 173.468 174.900 -0.571 0.000 1.204 245 G CA -0.327 44.226 45.100 -0.913 0.000 0.939 245 G HN 0.323 nan 8.290 nan 0.000 0.491 246 T N 0.111 114.425 114.554 -0.400 0.000 2.952 246 T HA 0.733 5.083 4.350 -0.001 0.000 0.305 246 T C -0.625 173.853 174.700 -0.371 0.000 1.064 246 T CA 0.369 62.273 62.100 -0.327 0.000 1.008 246 T CB 1.611 70.301 68.868 -0.298 0.000 1.078 246 T HN 1.436 nan 8.240 nan 0.000 0.459 247 A N 2.312 124.894 122.820 -0.397 0.000 2.365 247 A HA 0.879 5.198 4.320 -0.001 0.000 0.318 247 A C -1.357 175.944 177.584 -0.472 0.000 1.091 247 A CA -0.679 51.162 52.037 -0.327 0.000 0.763 247 A CB 0.705 19.610 19.000 -0.159 0.000 1.248 247 A HN 0.722 nan 8.150 nan 0.000 0.442 248 F N 2.209 122.140 119.950 -0.032 0.000 2.332 248 F HA 0.463 4.990 4.527 -0.001 0.000 0.368 248 F C 0.486 176.247 175.800 -0.065 0.000 1.110 248 F CA -0.675 57.304 58.000 -0.035 0.000 1.087 248 F CB 1.743 40.728 39.000 -0.024 0.000 1.235 248 F HN 0.458 nan 8.300 nan 0.000 0.470 249 V N 3.400 123.338 119.914 0.039 0.000 2.630 249 V HA 0.762 4.881 4.120 -0.001 0.000 0.305 249 V C -0.708 175.302 176.094 -0.140 0.000 1.046 249 V CA -0.741 61.497 62.300 -0.104 0.000 0.934 249 V CB 1.989 33.699 31.823 -0.189 0.000 1.003 249 V HN 0.760 nan 8.190 nan 0.000 0.451 250 I N 3.556 123.947 120.570 -0.298 0.000 2.752 250 I HA 0.656 4.825 4.170 -0.001 0.000 0.295 250 I C -1.494 174.362 176.117 -0.434 0.000 1.219 250 I CA -0.661 60.512 61.300 -0.212 0.000 1.030 250 I CB 2.183 40.148 38.000 -0.060 0.000 1.259 250 I HN 0.744 nan 8.210 nan 0.000 0.423 251 F N 4.056 123.918 119.950 -0.147 0.000 2.557 251 F HA 0.917 5.443 4.527 -0.001 0.000 0.336 251 F C 0.797 176.313 175.800 -0.473 0.000 1.058 251 F CA -0.359 57.468 58.000 -0.288 0.000 0.988 251 F CB 1.968 40.825 39.000 -0.239 0.000 1.275 251 F HN 0.447 nan 8.300 nan 0.000 0.488 252 G N 0.105 108.527 108.800 -0.630 0.000 2.649 252 G HA2 0.662 4.622 3.960 -0.001 0.000 0.290 252 G HA3 0.662 4.622 3.960 -0.001 0.000 0.290 252 G C -2.256 172.337 174.900 -0.512 0.000 1.426 252 G CA -0.717 43.899 45.100 -0.807 0.000 0.794 252 G HN 0.357 nan 8.290 nan 0.000 0.483 253 I N -0.019 120.481 120.570 -0.117 0.000 2.509 253 I HA 0.523 4.692 4.170 -0.001 0.000 0.293 253 I C -0.147 176.107 176.117 0.228 0.000 1.020 253 I CA -0.591 60.747 61.300 0.064 0.000 1.088 253 I CB 2.358 40.376 38.000 0.031 0.000 1.267 253 I HN 0.488 nan 8.210 nan 0.000 0.430 254 Q N 4.092 124.032 119.800 0.233 0.000 2.310 254 Q HA 0.419 4.759 4.340 -0.001 0.000 0.270 254 Q C -1.771 174.292 176.000 0.106 0.000 1.025 254 Q CA -0.591 55.323 55.803 0.184 0.000 0.772 254 Q CB 1.728 30.575 28.738 0.182 0.000 1.253 254 Q HN 0.571 nan 8.270 nan 0.000 0.450 255 D N 3.182 123.627 120.400 0.075 0.000 2.461 255 D HA 0.450 5.090 4.640 -0.001 0.000 0.240 255 D C 0.642 176.965 176.300 0.039 0.000 1.094 255 D CA 1.156 55.188 54.000 0.052 0.000 0.868 255 D CB 0.931 41.757 40.800 0.044 0.000 1.062 255 D HN 0.860 nan 8.370 nan 0.000 0.530 256 G N 4.280 113.101 108.800 0.034 0.000 2.687 256 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.303 256 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.303 256 G C 0.962 175.870 174.900 0.015 0.000 1.209 256 G CA 0.593 45.707 45.100 0.023 0.000 0.968 256 G HN 0.489 nan 8.290 nan 0.000 0.549 257 E N 1.006 121.212 120.200 0.010 0.000 2.251 257 E HA 0.210 4.559 4.350 -0.001 0.000 0.194 257 E C 1.479 178.081 176.600 0.002 0.000 0.964 257 E CA 0.576 56.976 56.400 -0.001 0.000 0.868 257 E CB 0.054 29.752 29.700 -0.002 0.000 0.828 257 E HN 0.621 nan 8.360 nan 0.000 0.481 258 Q N 1.702 121.512 119.800 0.016 0.000 2.348 258 Q HA -0.113 4.226 4.340 -0.001 0.000 0.331 258 Q C -0.518 175.509 176.000 0.044 0.000 1.099 258 Q CA 0.889 56.709 55.803 0.029 0.000 1.021 258 Q CB 0.407 29.166 28.738 0.035 0.000 1.166 258 Q HN 0.010 nan 8.270 nan 0.000 0.393 259 R N 4.670 125.203 120.500 0.056 0.000 2.850 259 R HA 0.316 4.655 4.340 -0.001 0.000 0.266 259 R C -1.005 175.384 176.300 0.149 0.000 1.782 259 R CA -0.547 55.619 56.100 0.110 0.000 1.310 259 R CB 0.803 31.105 30.300 0.002 0.000 1.337 259 R HN 0.568 nan 8.270 nan 0.000 0.546 260 I N 1.405 122.067 120.570 0.154 0.000 2.395 260 I HA 0.166 4.335 4.170 -0.001 0.000 0.289 260 I C 1.076 177.267 176.117 0.124 0.000 1.023 260 I CA 0.115 61.480 61.300 0.109 0.000 1.350 260 I CB 1.356 39.395 38.000 0.065 0.000 1.409 260 I HN 0.368 nan 8.210 nan 0.000 0.507 261 S N 6.026 121.786 115.700 0.100 0.000 2.632 261 S HA 0.555 5.024 4.470 -0.001 0.000 0.267 261 S C -0.128 174.481 174.600 0.014 0.000 1.276 261 S CA -0.516 57.724 58.200 0.068 0.000 0.998 261 S CB 0.600 63.844 63.200 0.074 0.000 0.953 261 S HN 0.466 nan 8.310 nan 0.000 0.547 262 L N 4.457 125.674 121.223 -0.011 0.000 2.445 262 L HA 0.324 4.663 4.340 -0.001 0.000 0.252 262 L C -1.859 175.019 176.870 0.013 0.000 1.105 262 L CA -1.680 53.156 54.840 -0.007 0.000 0.943 262 L CB 1.441 43.487 42.059 -0.021 0.000 1.277 262 L HN 0.517 nan 8.230 nan 0.000 0.465 263 P HA -0.245 nan 4.420 nan 0.000 0.217 263 P C 1.266 178.580 177.300 0.022 0.000 1.151 263 P CA 1.272 64.382 63.100 0.017 0.000 0.849 263 P CB 0.402 32.109 31.700 0.012 0.000 0.787 264 E N -0.415 119.795 120.200 0.016 0.000 2.358 264 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 264 E C 1.801 178.419 176.600 0.029 0.000 1.010 264 E CA 0.800 57.210 56.400 0.017 0.000 0.856 264 E CB -0.241 29.461 29.700 0.003 0.000 0.795 264 E HN 0.210 nan 8.360 nan 0.000 0.504 265 S N 0.246 115.973 115.700 0.045 0.000 2.447 265 S HA -0.127 4.343 4.470 -0.001 0.000 0.233 265 S C 0.929 175.635 174.600 0.177 0.000 1.006 265 S CA -0.111 58.154 58.200 0.107 0.000 0.957 265 S CB -0.346 62.958 63.200 0.174 0.000 0.773 265 S HN 0.290 nan 8.310 nan 0.000 0.507 266 L N 2.772 124.062 121.223 0.111 0.000 2.559 266 L HA 0.269 4.608 4.340 -0.001 0.000 0.274 266 L C -0.262 176.672 176.870 0.107 0.000 1.205 266 L CA 0.823 55.722 54.840 0.099 0.000 0.907 266 L CB -0.066 42.034 42.059 0.069 0.000 1.153 266 L HN 0.212 nan 8.230 nan 0.000 0.490 267 K N 5.152 125.621 120.400 0.116 0.000 2.477 267 K HA 0.472 4.791 4.320 -0.001 0.000 0.255 267 K C -1.065 175.585 176.600 0.084 0.000 0.952 267 K CA -0.989 55.356 56.287 0.096 0.000 0.826 267 K CB 2.335 34.886 32.500 0.085 0.000 1.331 267 K HN 0.476 nan 8.250 nan 0.000 0.437 268 R N 3.757 124.284 120.500 0.045 0.000 2.272 268 R HA 0.331 4.670 4.340 -0.001 0.000 0.323 268 R C -0.482 175.747 176.300 -0.119 0.000 1.002 268 R CA -0.387 55.662 56.100 -0.084 0.000 0.900 268 R CB 0.251 30.517 30.300 -0.057 0.000 1.151 268 R HN 0.709 nan 8.270 nan 0.000 0.507 269 I N 1.388 121.869 120.570 -0.149 0.000 2.607 269 I HA 0.705 4.874 4.170 -0.001 0.000 0.305 269 I C -2.609 173.421 176.117 -0.144 0.000 0.995 269 I CA -3.107 58.129 61.300 -0.107 0.000 1.148 269 I CB 2.123 40.083 38.000 -0.067 0.000 1.323 269 I HN 0.367 nan 8.210 nan 0.000 0.461 270 P HA 0.403 nan 4.420 nan 0.000 0.288 270 P C -0.944 176.304 177.300 -0.086 0.000 1.267 270 P CA -0.372 62.676 63.100 -0.086 0.000 0.815 270 P CB 1.264 32.944 31.700 -0.034 0.000 0.989 271 I N 2.714 123.216 120.570 -0.113 0.000 2.336 271 I HA 0.360 4.530 4.170 -0.001 0.000 0.292 271 I C 0.538 176.610 176.117 -0.074 0.000 0.991 271 I CA -0.263 60.969 61.300 -0.112 0.000 1.227 271 I CB 0.475 38.372 38.000 -0.171 0.000 1.366 271 I HN 0.372 nan 8.210 nan 0.000 0.466 272 E N 3.940 124.110 120.200 -0.050 0.000 2.278 272 E HA 0.185 4.534 4.350 -0.001 0.000 0.272 272 E C -0.900 175.686 176.600 -0.023 0.000 0.890 272 E CA -0.528 55.859 56.400 -0.020 0.000 0.770 272 E CB 1.725 31.422 29.700 -0.005 0.000 1.212 272 E HN 0.569 nan 8.360 nan 0.000 0.415 273 D N 2.136 122.527 120.400 -0.015 0.000 2.751 273 D HA -0.202 4.437 4.640 -0.001 0.000 0.233 273 D C 0.692 176.974 176.300 -0.029 0.000 1.149 273 D CA 1.852 55.845 54.000 -0.011 0.000 0.682 273 D CB -0.933 39.866 40.800 -0.002 0.000 1.068 273 D HN 0.947 nan 8.370 nan 0.000 0.429 274 G N -1.183 107.580 108.800 -0.062 0.000 2.179 274 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.257 274 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.257 274 G C 0.166 175.025 174.900 -0.067 0.000 1.010 274 G CA 0.512 45.559 45.100 -0.088 0.000 0.736 274 G HN 0.835 nan 8.290 nan 0.000 0.513 275 S N -1.138 114.528 115.700 -0.057 0.000 2.541 275 S HA 0.863 5.332 4.470 -0.001 0.000 0.280 275 S C 0.202 174.773 174.600 -0.047 0.000 1.112 275 S CA -0.152 58.022 58.200 -0.043 0.000 0.925 275 S CB 2.451 65.635 63.200 -0.027 0.000 1.067 275 S HN 1.479 nan 8.310 nan 0.000 0.479 276 G N 1.091 109.866 108.800 -0.042 0.000 2.612 276 G HA2 0.698 4.658 3.960 -0.001 0.000 0.298 276 G HA3 0.698 4.658 3.960 -0.001 0.000 0.298 276 G C -1.745 173.141 174.900 -0.023 0.000 1.336 276 G CA -0.787 44.288 45.100 -0.041 0.000 0.953 276 G HN 0.518 nan 8.290 nan 0.000 0.482 277 E N 0.060 120.250 120.200 -0.017 0.000 2.248 277 E HA 0.656 5.006 4.350 -0.001 0.000 0.267 277 E C -1.328 175.279 176.600 0.010 0.000 0.877 277 E CA -1.027 55.371 56.400 -0.002 0.000 0.759 277 E CB 2.772 32.470 29.700 -0.003 0.000 1.182 277 E HN 0.463 nan 8.360 nan 0.000 0.418 278 V N 1.728 121.664 119.914 0.036 0.000 3.147 278 V HA 0.461 4.580 4.120 -0.001 0.000 0.299 278 V C -1.676 174.475 176.094 0.094 0.000 1.302 278 V CA -0.647 61.697 62.300 0.073 0.000 1.015 278 V CB 2.473 34.358 31.823 0.105 0.000 1.086 278 V HN 0.498 nan 8.190 nan 0.000 0.437 279 V N 5.574 125.525 119.914 0.061 0.000 2.709 279 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 279 V C -0.716 175.243 176.094 -0.225 0.000 1.062 279 V CA -0.681 61.582 62.300 -0.063 0.000 0.901 279 V CB 1.739 33.520 31.823 -0.071 0.000 1.003 279 V HN 0.797 nan 8.190 nan 0.000 0.425 280 L N 5.313 126.163 121.223 -0.621 0.000 2.261 280 L HA 0.587 4.927 4.340 -0.001 0.000 0.289 280 L C 0.645 177.230 176.870 -0.475 0.000 1.059 280 L CA 0.401 54.742 54.840 -0.832 0.000 0.816 280 L CB 1.232 42.353 42.059 -1.564 0.000 1.191 280 L HN 0.838 nan 8.230 nan 0.000 0.431 281 S N 4.066 119.593 115.700 -0.289 0.000 2.576 281 S HA 0.239 4.709 4.470 -0.001 0.000 0.276 281 S C 1.181 175.680 174.600 -0.170 0.000 1.339 281 S CA -0.150 57.944 58.200 -0.177 0.000 1.039 281 S CB 0.898 64.035 63.200 -0.104 0.000 0.902 281 S HN 0.848 nan 8.310 nan 0.000 0.516 282 R N 1.760 122.206 120.500 -0.090 0.000 2.096 282 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 282 R C 2.306 178.580 176.300 -0.043 0.000 1.127 282 R CA 1.677 57.755 56.100 -0.038 0.000 0.968 282 R CB -0.319 30.008 30.300 0.045 0.000 0.861 282 R HN 0.867 nan 8.270 nan 0.000 0.440 283 K N 0.132 120.508 120.400 -0.041 0.000 2.001 283 K HA -0.161 4.158 4.320 -0.001 0.000 0.214 283 K C 1.798 178.369 176.600 -0.048 0.000 1.050 283 K CA 2.139 58.405 56.287 -0.034 0.000 0.934 283 K CB -0.205 32.278 32.500 -0.028 0.000 0.718 283 K HN 0.102 nan 8.250 nan 0.000 0.443 284 V N 1.881 121.753 119.914 -0.069 0.000 2.332 284 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 284 V C 2.417 178.462 176.094 -0.083 0.000 1.055 284 V CA 1.731 63.987 62.300 -0.073 0.000 1.038 284 V CB -0.594 31.174 31.823 -0.093 0.000 0.651 284 V HN 0.399 nan 8.190 nan 0.000 0.450 285 L N -0.299 120.854 121.223 -0.116 0.000 1.994 285 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 285 L C 2.188 179.024 176.870 -0.057 0.000 1.071 285 L CA 1.996 56.770 54.840 -0.110 0.000 0.745 285 L CB -0.581 41.389 42.059 -0.148 0.000 0.892 285 L HN 0.199 nan 8.230 nan 0.000 0.431 286 L N -0.822 120.377 121.223 -0.040 0.000 2.072 286 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 286 L C 2.062 178.921 176.870 -0.018 0.000 1.079 286 L CA 1.073 55.900 54.840 -0.022 0.000 0.752 286 L CB -0.672 41.379 42.059 -0.012 0.000 0.906 286 L HN 0.235 nan 8.230 nan 0.000 0.436 287 D N 0.051 120.438 120.400 -0.022 0.000 2.269 287 D HA -0.100 4.539 4.640 -0.001 0.000 0.208 287 D C 2.136 178.426 176.300 -0.016 0.000 0.963 287 D CA 1.131 55.122 54.000 -0.016 0.000 0.864 287 D CB -0.208 40.582 40.800 -0.016 0.000 0.936 287 D HN 0.286 nan 8.370 nan 0.000 0.505 288 G N 0.135 108.921 108.800 -0.024 0.000 2.422 288 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.218 288 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.218 288 G C 0.674 175.567 174.900 -0.012 0.000 1.140 288 G CA 0.296 45.384 45.100 -0.020 0.000 0.775 288 G HN 0.178 nan 8.290 nan 0.000 0.545 289 V N 0.199 120.106 119.914 -0.012 0.000 2.539 289 V HA 0.287 4.406 4.120 -0.001 0.000 0.292 289 V C 0.529 176.622 176.094 -0.003 0.000 1.045 289 V CA -0.513 61.784 62.300 -0.004 0.000 0.945 289 V CB 1.820 33.641 31.823 -0.003 0.000 0.993 289 V HN 0.086 nan 8.190 nan 0.000 0.464 290 Q N 2.002 121.803 119.800 0.001 0.000 2.282 290 Q HA 0.142 4.481 4.340 -0.001 0.000 0.205 290 Q C 1.197 177.198 176.000 0.002 0.000 0.915 290 Q CA 0.303 56.107 55.803 0.001 0.000 0.949 290 Q CB -0.454 28.286 28.738 0.003 0.000 1.035 290 Q HN 0.682 nan 8.270 nan 0.000 0.484 291 N N -0.104 118.597 118.700 0.002 0.000 2.322 291 N HA 0.091 4.831 4.740 -0.001 0.000 0.194 291 N C -2.159 173.352 175.510 0.002 0.000 1.126 291 N CA -1.476 51.576 53.050 0.003 0.000 0.845 291 N CB 0.018 38.507 38.487 0.003 0.000 0.976 291 N HN -0.018 nan 8.380 nan 0.000 0.475 292 P HA -0.172 nan 4.420 nan 0.000 0.050 292 P C -0.615 176.688 177.300 0.004 0.000 0.568 292 P CA 0.785 63.885 63.100 0.001 0.000 1.049 292 P CB -0.448 31.254 31.700 0.002 0.000 1.751 293 R N 1.796 122.297 120.500 0.002 0.000 2.687 293 R HA 0.347 4.686 4.340 -0.001 0.000 0.264 293 R C 1.374 177.671 176.300 -0.005 0.000 1.715 293 R CA -0.159 55.944 56.100 0.005 0.000 1.633 293 R CB 0.435 30.738 30.300 0.006 0.000 1.353 293 R HN 0.222 nan 8.270 nan 0.000 0.653 294 A N 1.613 124.429 122.820 -0.008 0.000 1.984 294 A HA -0.288 4.031 4.320 -0.001 0.000 0.224 294 A C 1.504 179.039 177.584 -0.082 0.000 1.256 294 A CA 2.109 54.115 52.037 -0.053 0.000 0.679 294 A CB -0.116 18.843 19.000 -0.069 0.000 0.829 294 A HN 0.645 nan 8.150 nan 0.000 0.483 295 E N 0.036 120.208 120.200 -0.047 0.000 2.338 295 E HA -0.073 4.277 4.350 -0.001 0.000 0.197 295 E C 1.442 178.022 176.600 -0.033 0.000 1.007 295 E CA 0.911 57.282 56.400 -0.048 0.000 0.849 295 E CB -0.219 29.483 29.700 0.002 0.000 0.774 295 E HN 0.639 nan 8.360 nan 0.000 0.506 296 D N 0.044 120.433 120.400 -0.020 0.000 2.144 296 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 296 D C 1.777 178.070 176.300 -0.010 0.000 0.984 296 D CA 0.752 54.746 54.000 -0.009 0.000 0.834 296 D CB -0.080 40.719 40.800 -0.002 0.000 0.955 296 D HN 0.254 nan 8.370 nan 0.000 0.465 297 L N 0.765 121.975 121.223 -0.021 0.000 2.275 297 L HA -0.042 4.297 4.340 -0.001 0.000 0.215 297 L C 0.802 177.665 176.870 -0.011 0.000 1.119 297 L CA 0.136 54.970 54.840 -0.010 0.000 0.790 297 L CB -0.302 41.751 42.059 -0.011 0.000 0.919 297 L HN -0.169 nan 8.230 nan 0.000 0.443 298 V N 0.931 120.820 119.914 -0.041 0.000 2.673 298 V HA 0.225 4.344 4.120 -0.001 0.000 0.303 298 V C 1.347 177.438 176.094 -0.005 0.000 1.046 298 V CA 1.162 63.440 62.300 -0.037 0.000 1.126 298 V CB 0.498 32.284 31.823 -0.061 0.000 0.934 298 V HN 0.628 nan 8.190 nan 0.000 0.487 299 G N 4.006 112.812 108.800 0.009 0.000 2.317 299 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.227 299 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.227 299 G C 0.354 175.276 174.900 0.035 0.000 1.042 299 G CA 0.104 45.216 45.100 0.020 0.000 0.623 299 G HN 0.599 nan 8.290 nan 0.000 0.509 300 K N 1.111 121.535 120.400 0.040 0.000 2.120 300 K HA 0.569 4.888 4.320 -0.001 0.000 0.245 300 K C 0.453 177.099 176.600 0.078 0.000 1.024 300 K CA 0.399 56.719 56.287 0.056 0.000 0.906 300 K CB 1.131 33.662 32.500 0.052 0.000 1.051 300 K HN 0.575 nan 8.250 nan 0.000 0.491 301 S N 0.472 116.230 115.700 0.096 0.000 2.568 301 S HA 0.536 5.006 4.470 -0.001 0.000 0.302 301 S C -0.315 174.371 174.600 0.143 0.000 1.082 301 S CA -1.061 57.212 58.200 0.121 0.000 1.009 301 S CB 0.857 64.130 63.200 0.121 0.000 1.069 301 S HN 0.412 nan 8.310 nan 0.000 0.500 302 L N 2.221 123.526 121.223 0.137 0.000 2.344 302 L HA 0.665 5.004 4.340 -0.001 0.000 0.272 302 L C -0.865 176.122 176.870 0.196 0.000 1.035 302 L CA -1.133 53.770 54.840 0.105 0.000 0.807 302 L CB 1.254 43.334 42.059 0.035 0.000 1.237 302 L HN 0.947 nan 8.230 nan 0.000 0.442 303 Y N -0.192 120.160 120.300 0.086 0.000 2.534 303 Y HA 0.783 5.333 4.550 -0.001 0.000 0.345 303 Y C -1.325 174.592 175.900 0.028 0.000 1.031 303 Y CA -1.256 56.875 58.100 0.053 0.000 1.022 303 Y CB 1.357 39.831 38.460 0.024 0.000 1.292 303 Y HN 0.137 nan 8.280 nan 0.000 0.459 304 V N 2.267 122.227 119.914 0.075 0.000 2.588 304 V HA 0.617 4.736 4.120 -0.001 0.000 0.304 304 V C -0.663 175.360 176.094 -0.118 0.000 1.042 304 V CA -0.689 61.475 62.300 -0.227 0.000 0.877 304 V CB 1.560 33.214 31.823 -0.281 0.000 0.996 304 V HN 0.857 nan 8.190 nan 0.000 0.425 305 S N 2.856 118.444 115.700 -0.187 0.000 2.552 305 S HA 0.821 5.290 4.470 -0.001 0.000 0.314 305 S C -0.316 174.215 174.600 -0.114 0.000 1.099 305 S CA -0.185 57.970 58.200 -0.076 0.000 1.070 305 S CB 1.123 64.331 63.200 0.013 0.000 0.998 305 S HN 1.180 nan 8.310 nan 0.000 0.474 306 A N 3.952 126.730 122.820 -0.071 0.000 2.318 306 A HA 0.745 5.064 4.320 -0.001 0.000 0.317 306 A C -0.291 177.299 177.584 0.011 0.000 1.159 306 A CA -0.576 51.435 52.037 -0.044 0.000 0.799 306 A CB 1.116 20.080 19.000 -0.060 0.000 1.194 306 A HN 0.633 nan 8.150 nan 0.000 0.479 307 T N 2.092 116.689 114.554 0.072 0.000 2.792 307 T HA 0.544 4.893 4.350 -0.001 0.000 0.280 307 T C -0.583 174.207 174.700 0.151 0.000 0.990 307 T CA -0.310 61.859 62.100 0.116 0.000 0.960 307 T CB 1.192 70.149 68.868 0.148 0.000 0.939 307 T HN 0.458 nan 8.240 nan 0.000 0.439 308 V N 4.978 124.967 119.914 0.125 0.000 2.448 308 V HA 0.546 4.665 4.120 -0.001 0.000 0.295 308 V C -0.296 175.887 176.094 0.148 0.000 1.025 308 V CA -0.855 61.498 62.300 0.088 0.000 0.859 308 V CB 1.581 33.461 31.823 0.095 0.000 0.988 308 V HN 0.805 nan 8.190 nan 0.000 0.431 309 I N 5.275 125.873 120.570 0.047 0.000 2.378 309 I HA 0.421 4.591 4.170 -0.001 0.000 0.291 309 I C -0.139 175.904 176.117 -0.122 0.000 0.992 309 I CA -0.538 60.795 61.300 0.056 0.000 1.154 309 I CB 1.747 39.818 38.000 0.117 0.000 1.315 309 I HN 0.384 nan 8.210 nan 0.000 0.448 310 L N 4.969 126.107 121.223 -0.141 0.000 2.464 310 L HA 0.173 4.513 4.340 -0.001 0.000 0.264 310 L C 1.223 178.002 176.870 -0.150 0.000 1.199 310 L CA -0.235 54.441 54.840 -0.273 0.000 0.818 310 L CB 0.254 42.171 42.059 -0.236 0.000 1.102 310 L HN 0.644 nan 8.230 nan 0.000 0.473 311 H N -0.368 118.675 119.070 -0.044 0.000 2.457 311 H HA -0.131 4.424 4.556 -0.001 0.000 0.294 311 H C 2.242 177.580 175.328 0.017 0.000 1.064 311 H CA 1.242 57.283 56.048 -0.011 0.000 1.330 311 H CB 0.237 29.990 29.762 -0.015 0.000 1.395 311 H HN 0.790 nan 8.280 nan 0.000 0.541 312 S N -0.647 115.133 115.700 0.133 0.000 2.442 312 S HA -0.070 4.400 4.470 -0.001 0.000 0.236 312 S C 2.166 176.822 174.600 0.093 0.000 1.007 312 S CA 0.866 59.131 58.200 0.107 0.000 0.965 312 S CB -0.269 62.998 63.200 0.111 0.000 0.773 312 S HN 0.712 nan 8.310 nan 0.000 0.504 313 G N 0.508 109.362 108.800 0.090 0.000 2.320 313 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.242 313 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.242 313 G C 0.958 175.913 174.900 0.092 0.000 1.033 313 G CA 0.428 45.580 45.100 0.086 0.000 0.620 313 G HN 0.831 nan 8.290 nan 0.000 0.517 314 S N 0.507 116.267 115.700 0.100 0.000 2.605 314 S HA 0.455 4.924 4.470 -0.001 0.000 0.217 314 S C -0.007 174.670 174.600 0.128 0.000 0.958 314 S CA 0.687 58.947 58.200 0.100 0.000 0.919 314 S CB 0.501 63.756 63.200 0.091 0.000 0.780 314 S HN 0.654 nan 8.310 nan 0.000 0.507 315 D N 0.943 121.443 120.400 0.165 0.000 2.837 315 D HA 0.518 5.157 4.640 -0.001 0.000 0.220 315 D C -0.921 175.553 176.300 0.290 0.000 1.236 315 D CA -0.463 53.673 54.000 0.228 0.000 0.838 315 D CB 1.545 42.547 40.800 0.337 0.000 1.647 315 D HN 0.177 nan 8.370 nan 0.000 0.486 316 M N 1.390 121.120 119.600 0.216 0.000 2.520 316 M HA 0.692 5.171 4.480 -0.001 0.000 0.280 316 M C -1.896 174.386 176.300 -0.029 0.000 1.232 316 M CA -0.987 54.443 55.300 0.217 0.000 0.892 316 M CB 2.285 34.978 32.600 0.155 0.000 1.728 316 M HN 0.155 nan 8.290 nan 0.000 0.475 317 V N 1.857 121.709 119.914 -0.103 0.000 2.760 317 V HA 0.537 4.656 4.120 -0.001 0.000 0.309 317 V C -1.387 174.659 176.094 -0.082 0.000 1.077 317 V CA -0.145 62.019 62.300 -0.226 0.000 0.910 317 V CB 2.570 34.076 31.823 -0.528 0.000 1.008 317 V HN 1.059 nan 8.190 nan 0.000 0.424 318 Q N 4.383 124.144 119.800 -0.065 0.000 2.257 318 Q HA 0.799 5.138 4.340 -0.001 0.000 0.255 318 Q C -0.301 175.671 176.000 -0.047 0.000 0.920 318 Q CA -0.324 55.461 55.803 -0.031 0.000 0.927 318 Q CB 2.114 30.841 28.738 -0.018 0.000 1.229 318 Q HN 1.094 nan 8.270 nan 0.000 0.433 319 A N 2.437 125.237 122.820 -0.032 0.000 2.469 319 A HA 0.703 5.023 4.320 -0.001 0.000 0.299 319 A C -1.216 176.354 177.584 -0.024 0.000 1.098 319 A CA -0.655 51.363 52.037 -0.033 0.000 0.737 319 A CB 1.921 20.901 19.000 -0.034 0.000 1.312 319 A HN 0.830 nan 8.150 nan 0.000 0.414 320 E N 0.374 120.564 120.200 -0.017 0.000 2.352 320 E HA 0.609 4.958 4.350 -0.001 0.000 0.280 320 E C -1.206 175.400 176.600 0.010 0.000 0.930 320 E CA -0.895 55.504 56.400 -0.002 0.000 0.765 320 E CB 1.627 31.335 29.700 0.014 0.000 1.219 320 E HN 0.556 nan 8.360 nan 0.000 0.434 321 R N 2.053 122.569 120.500 0.026 0.000 2.295 321 R HA 0.504 4.843 4.340 -0.001 0.000 0.324 321 R C -1.383 174.972 176.300 0.091 0.000 0.968 321 R CA -0.178 55.948 56.100 0.043 0.000 0.837 321 R CB 1.706 32.028 30.300 0.037 0.000 1.133 321 R HN 0.553 nan 8.270 nan 0.000 0.450 322 S N 1.774 117.520 115.700 0.078 0.000 2.747 322 S HA 0.629 5.099 4.470 -0.001 0.000 0.300 322 S C 0.030 174.691 174.600 0.102 0.000 1.121 322 S CA -0.278 57.985 58.200 0.105 0.000 0.995 322 S CB 1.647 64.859 63.200 0.021 0.000 1.113 322 S HN 0.945 nan 8.310 nan 0.000 0.547 323 G N 0.900 109.770 108.800 0.117 0.000 2.249 323 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.273 323 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.273 323 G C -0.110 174.856 174.900 0.111 0.000 1.036 323 G CA -0.149 45.012 45.100 0.100 0.000 0.824 323 G HN 0.606 nan 8.290 nan 0.000 0.504 324 I N 1.701 122.349 120.570 0.131 0.000 2.406 324 I HA 0.164 4.333 4.170 -0.001 0.000 0.293 324 I C -1.739 174.470 176.117 0.153 0.000 1.101 324 I CA -1.794 59.588 61.300 0.137 0.000 1.334 324 I CB 0.756 38.833 38.000 0.128 0.000 1.421 324 I HN -0.048 nan 8.210 nan 0.000 0.513 325 P HA 0.240 nan 4.420 nan 0.000 0.280 325 P C -0.387 177.023 177.300 0.183 0.000 1.244 325 P CA -0.164 63.023 63.100 0.145 0.000 0.784 325 P CB 0.680 32.449 31.700 0.113 0.000 0.913 326 I N 3.738 124.394 120.570 0.143 0.000 2.325 326 I HA 0.302 4.471 4.170 -0.001 0.000 0.291 326 I C 0.426 176.577 176.117 0.056 0.000 1.019 326 I CA -0.470 60.912 61.300 0.137 0.000 1.302 326 I CB 0.767 38.836 38.000 0.115 0.000 1.401 326 I HN 0.153 nan 8.210 nan 0.000 0.485 327 V N 1.716 121.654 119.914 0.040 0.000 3.049 327 V HA 0.480 4.600 4.120 -0.001 0.000 0.309 327 V C 0.417 176.522 176.094 0.018 0.000 1.148 327 V CA -0.478 61.820 62.300 -0.004 0.000 0.990 327 V CB 1.578 33.365 31.823 -0.060 0.000 1.039 327 V HN 0.768 nan 8.190 nan 0.000 0.430 328 T N -1.686 112.883 114.554 0.024 0.000 3.060 328 T HA 0.318 4.667 4.350 -0.001 0.000 0.249 328 T C 0.653 175.457 174.700 0.173 0.000 1.079 328 T CA 0.685 62.877 62.100 0.154 0.000 1.013 328 T CB 0.004 68.933 68.868 0.102 0.000 0.975 328 T HN 1.215 nan 8.240 nan 0.000 0.518 329 S N 1.681 117.371 115.700 -0.017 0.000 2.541 329 S HA 0.579 5.048 4.470 -0.001 0.000 0.280 329 S C -2.619 171.741 174.600 -0.401 0.000 1.112 329 S CA -1.455 56.656 58.200 -0.148 0.000 0.925 329 S CB 2.236 65.387 63.200 -0.082 0.000 1.067 329 S HN 0.018 nan 8.310 nan 0.000 0.479 330 P HA 0.240 nan 4.420 nan 0.000 0.257 330 P C -0.937 175.712 177.300 -1.084 0.000 1.325 330 P CA 0.199 62.598 63.100 -1.169 0.000 0.850 330 P CB -0.283 30.744 31.700 -1.122 0.000 1.324 331 Y N -0.969 119.134 120.300 -0.328 0.000 2.669 331 Y HA 0.651 5.200 4.550 -0.001 0.000 0.335 331 Y C 0.167 175.918 175.900 -0.248 0.000 1.116 331 Y CA -0.930 57.018 58.100 -0.253 0.000 1.081 331 Y CB 1.602 39.937 38.460 -0.209 0.000 1.297 331 Y HN -0.279 nan 8.280 nan 0.000 0.484 332 Q N 1.276 121.029 119.800 -0.079 0.000 2.313 332 Q HA 0.528 4.867 4.340 -0.001 0.000 0.255 332 Q C -1.999 173.712 176.000 -0.482 0.000 0.944 332 Q CA -0.276 55.365 55.803 -0.271 0.000 0.881 332 Q CB 1.892 30.503 28.738 -0.212 0.000 1.375 332 Q HN 0.675 nan 8.270 nan 0.000 0.422 333 I N 3.212 123.438 120.570 -0.574 0.000 2.385 333 I HA 0.386 4.556 4.170 -0.001 0.000 0.294 333 I C -0.686 174.871 176.117 -0.933 0.000 0.988 333 I CA -0.449 60.474 61.300 -0.629 0.000 1.265 333 I CB 1.102 38.812 38.000 -0.484 0.000 1.388 333 I HN 0.641 nan 8.210 nan 0.000 0.480 334 H N 4.945 123.743 119.070 -0.454 0.000 2.717 334 H HA 0.390 4.945 4.556 -0.001 0.000 0.366 334 H C -0.834 174.284 175.328 -0.350 0.000 1.132 334 H CA -0.483 55.365 56.048 -0.334 0.000 1.180 334 H CB 1.629 31.385 29.762 -0.011 0.000 1.678 334 H HN 0.405 nan 8.280 nan 0.000 0.537 335 F N 0.319 120.389 119.950 0.201 0.000 2.708 335 F HA 0.087 4.613 4.527 -0.001 0.000 0.300 335 F C 1.755 177.614 175.800 0.097 0.000 1.118 335 F CA -0.249 57.827 58.000 0.126 0.000 1.307 335 F CB -0.025 39.024 39.000 0.082 0.000 0.986 335 F HN 0.573 nan 8.300 nan 0.000 0.522 336 T N -3.500 111.191 114.554 0.228 0.000 3.085 336 T HA -0.050 4.300 4.350 -0.001 0.000 0.263 336 T C 1.534 176.215 174.700 -0.032 0.000 1.127 336 T CA 0.832 62.982 62.100 0.083 0.000 1.103 336 T CB -0.098 68.792 68.868 0.036 0.000 0.921 336 T HN 0.229 nan 8.240 nan 0.000 0.510 337 K N 0.859 121.269 120.400 0.017 0.000 2.358 337 K HA 0.179 4.499 4.320 -0.001 0.000 0.200 337 K C -0.096 176.530 176.600 0.043 0.000 1.030 337 K CA 0.031 56.287 56.287 -0.053 0.000 1.097 337 K CB 0.746 33.205 32.500 -0.068 0.000 0.862 337 K HN 0.264 nan 8.250 nan 0.000 0.534 338 T N 2.866 117.485 114.554 0.109 0.000 2.867 338 T HA 0.283 4.632 4.350 -0.001 0.000 0.282 338 T C -2.610 172.170 174.700 0.133 0.000 1.000 338 T CA -1.865 60.305 62.100 0.117 0.000 1.042 338 T CB 1.730 70.689 68.868 0.151 0.000 0.973 338 T HN -0.158 nan 8.240 nan 0.000 0.465 339 P HA 0.136 nan 4.420 nan 0.000 0.269 339 P C 0.480 177.925 177.300 0.243 0.000 1.217 339 P CA -0.325 62.918 63.100 0.238 0.000 0.783 339 P CB 0.535 32.435 31.700 0.334 0.000 0.898 340 K N 0.751 121.169 120.400 0.030 0.000 2.372 340 K HA 0.161 4.480 4.320 -0.001 0.000 0.200 340 K C -0.259 176.016 176.600 -0.541 0.000 1.022 340 K CA 0.271 56.385 56.287 -0.287 0.000 1.125 340 K CB 0.093 32.294 32.500 -0.498 0.000 0.855 340 K HN 0.506 nan 8.250 nan 0.000 0.524 341 Y N 0.317 120.699 120.300 0.137 0.000 2.536 341 Y HA 0.450 4.999 4.550 -0.001 0.000 0.347 341 Y C -0.058 175.919 175.900 0.128 0.000 1.000 341 Y CA -1.775 56.372 58.100 0.078 0.000 1.051 341 Y CB 1.392 39.904 38.460 0.087 0.000 1.259 341 Y HN -0.051 nan 8.280 nan 0.000 0.468 342 F N -1.262 118.691 119.950 0.004 0.000 2.613 342 F HA 0.843 5.370 4.527 -0.001 0.000 0.314 342 F C -1.330 174.494 175.800 0.040 0.000 1.075 342 F CA -1.643 56.336 58.000 -0.034 0.000 0.945 342 F CB 1.497 40.272 39.000 -0.375 0.000 1.310 342 F HN 0.090 nan 8.300 nan 0.000 0.467 343 K N 2.977 123.369 120.400 -0.013 0.000 2.257 343 K HA 0.407 4.726 4.320 -0.001 0.000 0.270 343 K C -2.726 173.707 176.600 -0.278 0.000 1.098 343 K CA -2.016 54.108 56.287 -0.272 0.000 0.943 343 K CB 0.624 32.874 32.500 -0.415 0.000 1.316 343 K HN 0.248 nan 8.250 nan 0.000 0.447 344 P HA -0.083 nan 4.420 nan 0.000 0.255 344 P C 0.705 177.944 177.300 -0.103 0.000 1.161 344 P CA 1.102 64.221 63.100 0.031 0.000 0.768 344 P CB 0.552 32.298 31.700 0.076 0.000 0.746 345 G N 2.286 111.067 108.800 -0.031 0.000 2.231 345 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.206 345 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.206 345 G C 0.034 174.856 174.900 -0.129 0.000 0.996 345 G CA -0.416 44.627 45.100 -0.095 0.000 0.645 345 G HN 0.451 nan 8.290 nan 0.000 0.498 346 M N 1.069 120.587 119.600 -0.136 0.000 2.578 346 M HA 0.470 4.950 4.480 -0.001 0.000 0.321 346 M C -2.614 173.645 176.300 -0.069 0.000 1.182 346 M CA -2.078 53.135 55.300 -0.144 0.000 0.965 346 M CB 1.942 34.381 32.600 -0.268 0.000 1.694 346 M HN -0.139 nan 8.290 nan 0.000 0.461 347 P HA 0.040 nan 4.420 nan 0.000 0.271 347 P C -1.048 176.283 177.300 0.050 0.000 1.226 347 P CA -0.092 62.998 63.100 -0.018 0.000 0.765 347 P CB 0.066 31.743 31.700 -0.038 0.000 0.835 348 F N 4.089 123.992 119.950 -0.079 0.000 2.434 348 F HA 0.171 4.697 4.527 -0.001 0.000 0.358 348 F C -0.062 175.721 175.800 -0.029 0.000 1.136 348 F CA -0.843 57.132 58.000 -0.042 0.000 1.157 348 F CB -0.149 38.789 39.000 -0.104 0.000 1.167 348 F HN 0.193 nan 8.300 nan 0.000 0.539 349 D N 7.082 127.258 120.400 -0.375 0.000 2.338 349 D HA 0.138 4.777 4.640 -0.001 0.000 0.255 349 D C -0.251 175.630 176.300 -0.699 0.000 1.237 349 D CA 0.189 53.961 54.000 -0.380 0.000 0.883 349 D CB 1.045 41.748 40.800 -0.161 0.000 1.087 349 D HN 0.481 nan 8.370 nan 0.000 0.485 350 L N 2.774 123.651 121.223 -0.577 0.000 2.326 350 L HA 0.268 4.608 4.340 -0.001 0.000 0.278 350 L C -0.075 176.705 176.870 -0.150 0.000 1.092 350 L CA -0.282 54.292 54.840 -0.444 0.000 0.810 350 L CB 0.775 42.693 42.059 -0.234 0.000 1.153 350 L HN 0.201 nan 8.230 nan 0.000 0.439 351 M N 5.657 125.237 119.600 -0.032 0.000 2.741 351 M HA 0.253 4.733 4.480 -0.001 0.000 0.283 351 M C -0.817 175.575 176.300 0.154 0.000 1.176 351 M CA -0.525 54.806 55.300 0.052 0.000 1.139 351 M CB 0.555 33.185 32.600 0.049 0.000 1.234 351 M HN 0.111 nan 8.290 nan 0.000 0.497 352 V N 3.265 123.262 119.914 0.138 0.000 2.450 352 V HA 0.023 4.142 4.120 -0.001 0.000 0.281 352 V C -0.143 176.041 176.094 0.150 0.000 1.019 352 V CA 0.021 62.394 62.300 0.122 0.000 1.062 352 V CB -0.182 31.674 31.823 0.056 0.000 0.979 352 V HN 0.497 nan 8.190 nan 0.000 0.477 353 F N 7.302 127.238 119.950 -0.023 0.000 2.334 353 F HA 0.554 5.081 4.527 -0.001 0.000 0.367 353 F C -0.093 175.717 175.800 0.017 0.000 1.115 353 F CA -1.014 56.998 58.000 0.019 0.000 1.116 353 F CB 0.957 39.991 39.000 0.058 0.000 1.230 353 F HN 0.243 nan 8.300 nan 0.000 0.484 354 V N 5.520 125.311 119.914 -0.206 0.000 2.407 354 V HA 0.503 4.622 4.120 -0.001 0.000 0.278 354 V C 0.229 176.075 176.094 -0.413 0.000 1.037 354 V CA -0.256 61.862 62.300 -0.304 0.000 0.900 354 V CB 1.284 32.992 31.823 -0.193 0.000 0.983 354 V HN 0.854 nan 8.190 nan 0.000 0.459 355 T N 1.690 116.033 114.554 -0.352 0.000 2.916 355 T HA 0.483 4.832 4.350 -0.001 0.000 0.292 355 T C -0.255 174.415 174.700 -0.050 0.000 1.055 355 T CA -0.959 60.996 62.100 -0.241 0.000 1.009 355 T CB 1.681 70.367 68.868 -0.303 0.000 1.118 355 T HN 0.462 nan 8.240 nan 0.000 0.497 356 N N 2.179 120.871 118.700 -0.015 0.000 2.326 356 N HA 0.216 4.955 4.740 -0.001 0.000 0.239 356 N C -1.729 173.741 175.510 -0.067 0.000 1.301 356 N CA -1.537 51.481 53.050 -0.054 0.000 0.909 356 N CB 0.504 38.994 38.487 0.006 0.000 1.156 356 N HN 0.464 nan 8.380 nan 0.000 0.462 357 P HA -0.143 nan 4.420 nan 0.000 0.218 357 P C 0.517 177.830 177.300 0.021 0.000 1.148 357 P CA 1.324 64.384 63.100 -0.068 0.000 0.822 357 P CB 0.134 31.781 31.700 -0.089 0.000 0.784 358 D N -1.953 118.478 120.400 0.052 0.000 2.183 358 D HA 0.012 4.651 4.640 -0.001 0.000 0.203 358 D C 1.579 177.910 176.300 0.052 0.000 0.969 358 D CA 1.610 55.649 54.000 0.065 0.000 0.842 358 D CB -0.845 40.002 40.800 0.079 0.000 0.957 358 D HN 0.246 nan 8.370 nan 0.000 0.484 359 G N -0.800 108.026 108.800 0.044 0.000 2.672 359 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.197 359 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.197 359 G C 0.318 175.258 174.900 0.067 0.000 0.995 359 G CA 0.085 45.211 45.100 0.043 0.000 0.754 359 G HN 0.669 nan 8.290 nan 0.000 0.505 360 S N 0.993 116.737 115.700 0.072 0.000 2.600 360 S HA 0.632 5.101 4.470 -0.001 0.000 0.265 360 S C -2.256 172.405 174.600 0.103 0.000 1.325 360 S CA -1.009 57.252 58.200 0.102 0.000 1.002 360 S CB 1.405 64.658 63.200 0.088 0.000 0.921 360 S HN 0.144 nan 8.310 nan 0.000 0.554 361 P HA 0.333 nan 4.420 nan 0.000 0.270 361 P C -1.190 176.195 177.300 0.143 0.000 1.223 361 P CA -0.224 62.987 63.100 0.186 0.000 0.785 361 P CB 0.301 32.142 31.700 0.235 0.000 0.923 362 A N 2.456 125.358 122.820 0.138 0.000 2.323 362 A HA 0.390 4.710 4.320 -0.001 0.000 0.305 362 A C -1.254 176.431 177.584 0.169 0.000 1.275 362 A CA -0.569 51.572 52.037 0.172 0.000 0.804 362 A CB -0.195 18.924 19.000 0.199 0.000 1.152 362 A HN 0.559 nan 8.150 nan 0.000 0.487 363 Y N 2.992 123.333 120.300 0.069 0.000 2.301 363 Y HA 0.452 5.002 4.550 -0.001 0.000 0.325 363 Y C 0.998 176.912 175.900 0.024 0.000 1.203 363 Y CA 0.033 58.159 58.100 0.043 0.000 1.255 363 Y CB 0.605 39.093 38.460 0.047 0.000 1.232 363 Y HN 0.766 nan 8.280 nan 0.000 0.501 364 R N 2.571 122.664 120.500 -0.679 0.000 3.267 364 R HA -0.128 4.212 4.340 -0.001 0.000 0.254 364 R C -1.781 174.355 176.300 -0.274 0.000 0.993 364 R CA 0.559 56.329 56.100 -0.551 0.000 0.670 364 R CB -2.464 27.482 30.300 -0.590 0.000 1.125 364 R HN 0.382 nan 8.270 nan 0.000 0.434 365 V N 1.611 121.376 119.914 -0.248 0.000 2.409 365 V HA 0.334 4.454 4.120 -0.001 0.000 0.291 365 V C -1.901 174.043 176.094 -0.250 0.000 1.020 365 V CA -1.882 60.237 62.300 -0.301 0.000 0.848 365 V CB 2.300 33.837 31.823 -0.475 0.000 0.990 365 V HN 0.031 nan 8.190 nan 0.000 0.430 366 P HA 0.262 nan 4.420 nan 0.000 0.276 366 P C -0.689 176.510 177.300 -0.169 0.000 1.243 366 P CA -0.024 62.978 63.100 -0.164 0.000 0.768 366 P CB 0.969 32.591 31.700 -0.130 0.000 0.856 367 V N 0.714 120.551 119.914 -0.129 0.000 2.715 367 V HA 0.984 5.103 4.120 -0.001 0.000 0.310 367 V C -0.561 175.493 176.094 -0.067 0.000 1.054 367 V CA -1.322 60.915 62.300 -0.106 0.000 0.928 367 V CB 1.588 33.355 31.823 -0.093 0.000 1.007 367 V HN 0.641 nan 8.190 nan 0.000 0.437 368 A N 3.079 125.869 122.820 -0.050 0.000 2.520 368 A HA 0.773 5.092 4.320 -0.001 0.000 0.298 368 A C -0.866 176.710 177.584 -0.013 0.000 1.051 368 A CA -0.646 51.372 52.037 -0.032 0.000 0.690 368 A CB 1.948 20.926 19.000 -0.038 0.000 1.281 368 A HN 1.326 nan 8.150 nan 0.000 0.402 369 V N 2.990 122.900 119.914 -0.007 0.000 2.439 369 V HA 0.134 4.253 4.120 -0.001 0.000 0.271 369 V C 0.810 176.902 176.094 -0.004 0.000 1.040 369 V CA 0.081 62.383 62.300 0.003 0.000 1.002 369 V CB 0.816 32.638 31.823 -0.001 0.000 1.000 369 V HN 0.927 nan 8.190 nan 0.000 0.477 370 Q N 3.039 122.839 119.800 0.000 0.000 2.364 370 Q HA 0.392 4.732 4.340 -0.001 0.000 0.267 370 Q C 1.242 177.238 176.000 -0.007 0.000 0.999 370 Q CA 0.948 56.748 55.803 -0.005 0.000 0.886 370 Q CB 0.808 29.545 28.738 -0.002 0.000 1.243 370 Q HN 1.081 nan 8.270 nan 0.000 0.415 371 G N 2.774 111.569 108.800 -0.009 0.000 2.234 371 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.235 371 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.235 371 G C -0.133 174.761 174.900 -0.010 0.000 0.997 371 G CA 0.031 45.126 45.100 -0.009 0.000 0.623 371 G HN 0.565 nan 8.290 nan 0.000 0.514 372 E N 1.340 121.534 120.200 -0.011 0.000 2.528 372 E HA 0.333 4.682 4.350 -0.001 0.000 0.277 372 E C -1.341 175.250 176.600 -0.014 0.000 0.980 372 E CA -0.495 55.898 56.400 -0.011 0.000 0.796 372 E CB 1.035 30.728 29.700 -0.010 0.000 1.427 372 E HN 0.300 nan 8.360 nan 0.000 0.394 373 D N 0.223 120.613 120.400 -0.015 0.000 2.362 373 D HA 0.208 4.847 4.640 -0.001 0.000 0.242 373 D C 0.775 177.063 176.300 -0.019 0.000 1.132 373 D CA 0.836 54.825 54.000 -0.019 0.000 0.907 373 D CB 0.799 41.588 40.800 -0.018 0.000 1.195 373 D HN 0.447 nan 8.370 nan 0.000 0.429 374 T N -1.153 113.387 114.554 -0.023 0.000 10.376 374 T HA -0.213 4.137 4.350 -0.001 0.000 0.366 374 T C 0.739 175.424 174.700 -0.024 0.000 1.790 374 T CA 0.943 63.029 62.100 -0.024 0.000 2.837 374 T CB -1.144 67.712 68.868 -0.020 0.000 2.485 374 T HN 0.282 nan 8.240 nan 0.000 0.947 375 V N 4.476 124.376 119.914 -0.022 0.000 2.106 375 V HA 0.318 4.437 4.120 -0.001 0.000 0.235 375 V C 0.528 176.606 176.094 -0.026 0.000 1.454 375 V CA 1.074 63.361 62.300 -0.023 0.000 1.458 375 V CB -1.011 30.800 31.823 -0.019 0.000 1.506 375 V HN 0.723 nan 8.190 nan 0.000 0.498 376 Q N 2.383 122.164 119.800 -0.031 0.000 2.648 376 Q HA 0.840 5.179 4.340 -0.001 0.000 0.300 376 Q C -0.989 174.986 176.000 -0.041 0.000 0.954 376 Q CA -0.860 54.921 55.803 -0.038 0.000 0.757 376 Q CB 2.534 31.247 28.738 -0.043 0.000 1.482 376 Q HN 0.408 nan 8.270 nan 0.000 0.437 377 S N -0.298 115.373 115.700 -0.050 0.000 2.567 377 S HA 0.565 5.034 4.470 -0.001 0.000 0.270 377 S C -1.045 173.512 174.600 -0.071 0.000 1.152 377 S CA -0.988 57.180 58.200 -0.052 0.000 0.835 377 S CB 0.714 63.890 63.200 -0.041 0.000 1.115 377 S HN 0.627 nan 8.310 nan 0.000 0.459 378 L N 1.370 122.546 121.223 -0.079 0.000 2.456 378 L HA 0.491 4.830 4.340 -0.001 0.000 0.257 378 L C 0.439 177.253 176.870 -0.093 0.000 1.162 378 L CA -0.560 54.213 54.840 -0.112 0.000 0.808 378 L CB 0.968 42.943 42.059 -0.140 0.000 1.136 378 L HN 0.783 nan 8.230 nan 0.000 0.466 379 T N 1.124 115.608 114.554 -0.116 0.000 2.856 379 T HA 0.236 4.585 4.350 -0.001 0.000 0.292 379 T C -0.022 174.672 174.700 -0.009 0.000 0.980 379 T CA -0.544 61.526 62.100 -0.050 0.000 1.091 379 T CB 1.182 70.022 68.868 -0.047 0.000 0.936 379 T HN 0.443 nan 8.240 nan 0.000 0.503 380 Q N 0.997 120.847 119.800 0.083 0.000 2.316 380 Q HA 0.345 4.684 4.340 -0.001 0.000 0.215 380 Q C 1.857 178.038 176.000 0.300 0.000 1.020 380 Q CA -0.464 55.450 55.803 0.184 0.000 0.970 380 Q CB 0.440 29.251 28.738 0.121 0.000 1.187 380 Q HN 0.885 nan 8.270 nan 0.000 0.546 381 G N 1.120 110.108 108.800 0.313 0.000 2.469 381 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.220 381 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.220 381 G C 0.798 175.785 174.900 0.145 0.000 1.136 381 G CA 1.346 46.551 45.100 0.176 0.000 0.759 381 G HN 0.820 nan 8.290 nan 0.000 0.562 382 D N -0.188 120.290 120.400 0.129 0.000 2.378 382 D HA 0.153 4.792 4.640 -0.001 0.000 0.227 382 D C 1.797 178.229 176.300 0.220 0.000 1.012 382 D CA 1.022 55.095 54.000 0.123 0.000 0.905 382 D CB -0.677 40.162 40.800 0.064 0.000 0.895 382 D HN 0.624 nan 8.370 nan 0.000 0.532 383 G N -0.830 108.125 108.800 0.258 0.000 2.176 383 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.253 383 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.253 383 G C 0.146 175.259 174.900 0.354 0.000 0.979 383 G CA 0.258 45.564 45.100 0.344 0.000 0.641 383 G HN 0.414 nan 8.290 nan 0.000 0.530 384 V N 0.659 120.722 119.914 0.248 0.000 2.617 384 V HA 0.855 4.974 4.120 -0.001 0.000 0.298 384 V C 0.525 176.678 176.094 0.099 0.000 1.048 384 V CA -0.022 62.390 62.300 0.187 0.000 0.964 384 V CB 1.667 33.560 31.823 0.117 0.000 1.004 384 V HN 1.412 nan 8.190 nan 0.000 0.466 385 A N 3.532 126.393 122.820 0.069 0.000 2.398 385 A HA 0.679 4.998 4.320 -0.001 0.000 0.301 385 A C -0.669 176.922 177.584 0.010 0.000 1.041 385 A CA -0.782 51.268 52.037 0.021 0.000 0.711 385 A CB 1.376 20.371 19.000 -0.009 0.000 1.240 385 A HN 0.765 nan 8.150 nan 0.000 0.420 386 K N 2.837 123.232 120.400 -0.008 0.000 2.253 386 K HA 0.620 4.939 4.320 -0.001 0.000 0.277 386 K C -1.462 175.114 176.600 -0.040 0.000 1.053 386 K CA -0.272 55.998 56.287 -0.028 0.000 0.892 386 K CB 0.370 32.852 32.500 -0.031 0.000 1.102 386 K HN 0.669 nan 8.250 nan 0.000 0.469 387 L N 4.578 125.767 121.223 -0.055 0.000 2.353 387 L HA 0.249 4.588 4.340 -0.001 0.000 0.270 387 L C -0.304 176.511 176.870 -0.093 0.000 1.003 387 L CA -0.793 54.013 54.840 -0.057 0.000 0.862 387 L CB 1.634 43.674 42.059 -0.032 0.000 1.221 387 L HN 0.662 nan 8.230 nan 0.000 0.430 388 S N 3.644 119.298 115.700 -0.077 0.000 2.499 388 S HA 0.696 5.166 4.470 -0.001 0.000 0.279 388 S C -0.375 174.195 174.600 -0.050 0.000 1.219 388 S CA -0.610 57.541 58.200 -0.082 0.000 1.062 388 S CB 1.406 64.570 63.200 -0.060 0.000 0.978 388 S HN 0.454 nan 8.310 nan 0.000 0.489 389 I N 2.962 123.514 120.570 -0.029 0.000 2.410 389 I HA 0.256 4.426 4.170 -0.001 0.000 0.286 389 I C -0.233 175.881 176.117 -0.005 0.000 1.009 389 I CA -0.841 60.457 61.300 -0.003 0.000 1.111 389 I CB 1.334 39.350 38.000 0.026 0.000 1.262 389 I HN 0.626 nan 8.210 nan 0.000 0.443 390 N N 4.392 123.073 118.700 -0.032 0.000 2.353 390 N HA 0.082 4.822 4.740 -0.001 0.000 0.248 390 N C 0.047 175.509 175.510 -0.080 0.000 1.240 390 N CA 0.504 53.513 53.050 -0.068 0.000 0.862 390 N CB 0.946 39.384 38.487 -0.082 0.000 1.086 390 N HN 0.700 nan 8.380 nan 0.000 0.453 391 T N -1.022 113.458 114.554 -0.123 0.000 2.864 391 T HA 0.485 4.834 4.350 -0.001 0.000 0.289 391 T C -0.602 173.980 174.700 -0.197 0.000 1.082 391 T CA -0.827 61.231 62.100 -0.070 0.000 1.009 391 T CB 2.056 70.922 68.868 -0.004 0.000 1.234 391 T HN 0.433 nan 8.240 nan 0.000 0.526 392 H N -0.371 118.732 119.070 0.056 0.000 2.834 392 H HA 0.345 4.900 4.556 -0.002 0.000 0.369 392 H C -2.003 173.386 175.328 0.102 0.000 1.174 392 H CA -1.981 54.103 56.048 0.060 0.000 1.165 392 H CB 1.954 31.741 29.762 0.042 0.000 1.820 392 H HN 0.373 nan 8.280 nan 0.000 0.558 393 P HA -0.165 nan 4.420 nan 0.000 0.216 393 P C 0.211 177.612 177.300 0.168 0.000 1.150 393 P CA 1.195 64.394 63.100 0.165 0.000 0.843 393 P CB -0.057 31.727 31.700 0.141 0.000 0.787 394 S N 0.930 116.728 115.700 0.163 0.000 2.810 394 S HA -0.121 4.348 4.470 -0.001 0.000 0.329 394 S C 0.804 175.493 174.600 0.149 0.000 1.231 394 S CA -0.000 58.275 58.200 0.125 0.000 1.042 394 S CB -0.043 63.209 63.200 0.087 0.000 0.756 394 S HN 0.156 nan 8.310 nan 0.000 0.504 395 Q N 0.978 120.841 119.800 0.105 0.000 2.265 395 Q HA 0.136 4.476 4.340 -0.001 0.000 0.217 395 Q C 0.253 176.318 176.000 0.108 0.000 0.916 395 Q CA 0.270 56.129 55.803 0.093 0.000 0.948 395 Q CB -0.250 28.516 28.738 0.047 0.000 1.020 395 Q HN 0.720 nan 8.270 nan 0.000 0.462 396 K N 2.161 122.640 120.400 0.132 0.000 2.276 396 K HA 0.225 4.545 4.320 -0.001 0.000 0.283 396 K C -2.376 174.315 176.600 0.150 0.000 1.044 396 K CA -1.699 54.648 56.287 0.100 0.000 0.944 396 K CB 0.741 33.276 32.500 0.057 0.000 1.012 396 K HN -0.101 nan 8.250 nan 0.000 0.472 397 P HA 0.006 nan 4.420 nan 0.000 0.269 397 P C -0.955 176.334 177.300 -0.019 0.000 1.215 397 P CA -0.031 63.122 63.100 0.088 0.000 0.780 397 P CB 0.487 32.209 31.700 0.037 0.000 0.898 398 L N 1.738 122.888 121.223 -0.121 0.000 2.301 398 L HA 0.242 4.581 4.340 -0.001 0.000 0.278 398 L C 0.360 177.124 176.870 -0.176 0.000 1.022 398 L CA -0.356 54.347 54.840 -0.230 0.000 0.854 398 L CB 1.003 42.762 42.059 -0.500 0.000 1.226 398 L HN 0.319 nan 8.230 nan 0.000 0.429 399 S N 4.522 120.153 115.700 -0.116 0.000 2.448 399 S HA 0.555 5.024 4.470 -0.001 0.000 0.279 399 S C -0.244 174.300 174.600 -0.094 0.000 1.195 399 S CA -0.275 57.867 58.200 -0.097 0.000 1.051 399 S CB -0.022 63.142 63.200 -0.060 0.000 0.948 399 S HN 0.358 nan 8.310 nan 0.000 0.493 400 I N 4.067 124.570 120.570 -0.112 0.000 2.447 400 I HA 0.290 4.460 4.170 -0.001 0.000 0.287 400 I C -0.200 175.886 176.117 -0.051 0.000 1.023 400 I CA -0.539 60.711 61.300 -0.083 0.000 1.083 400 I CB 2.324 40.272 38.000 -0.087 0.000 1.245 400 I HN 0.361 nan 8.210 nan 0.000 0.434 401 T N 5.559 120.117 114.554 0.006 0.000 2.771 401 T HA 0.531 4.880 4.350 -0.001 0.000 0.281 401 T C -0.136 174.615 174.700 0.086 0.000 0.982 401 T CA -0.450 61.688 62.100 0.063 0.000 0.978 401 T CB 1.741 70.631 68.868 0.037 0.000 0.930 401 T HN 0.181 nan 8.240 nan 0.000 0.447 402 V N 4.557 124.567 119.914 0.159 0.000 2.581 402 V HA 0.639 4.758 4.120 -0.001 0.000 0.303 402 V C 0.139 176.254 176.094 0.034 0.000 1.041 402 V CA -0.928 61.438 62.300 0.109 0.000 0.907 402 V CB 1.867 33.798 31.823 0.181 0.000 0.994 402 V HN 0.744 nan 8.190 nan 0.000 0.442 403 R N 0.934 121.429 120.500 -0.009 0.000 2.808 403 R HA 0.622 4.961 4.340 -0.001 0.000 0.272 403 R C -0.697 175.556 176.300 -0.077 0.000 0.995 403 R CA -0.758 55.317 56.100 -0.041 0.000 0.917 403 R CB 2.270 32.553 30.300 -0.028 0.000 1.217 403 R HN 0.830 nan 8.270 nan 0.000 0.471 404 T N -0.283 114.208 114.554 -0.105 0.000 2.780 404 T HA 0.288 4.637 4.350 -0.001 0.000 0.294 404 T C 0.152 174.785 174.700 -0.112 0.000 0.949 404 T CA -0.812 61.195 62.100 -0.155 0.000 1.074 404 T CB 0.910 69.632 68.868 -0.243 0.000 0.910 404 T HN 0.215 nan 8.240 nan 0.000 0.501 405 K N 2.915 123.249 120.400 -0.110 0.000 3.000 405 K HA 0.209 4.528 4.320 -0.001 0.000 0.239 405 K C 0.079 176.628 176.600 -0.086 0.000 1.269 405 K CA -0.576 55.663 56.287 -0.079 0.000 1.220 405 K CB 0.412 32.873 32.500 -0.065 0.000 1.645 405 K HN 0.417 nan 8.250 nan 0.000 0.423 406 K N 2.019 122.364 120.400 -0.091 0.000 2.297 406 K HA 0.126 4.446 4.320 -0.001 0.000 0.286 406 K C 0.461 177.037 176.600 -0.039 0.000 1.053 406 K CA 0.060 56.302 56.287 -0.076 0.000 0.940 406 K CB 0.753 33.219 32.500 -0.055 0.000 1.019 406 K HN 0.375 nan 8.250 nan 0.000 0.475 407 Q N 1.701 121.480 119.800 -0.035 0.000 2.651 407 Q HA -0.054 4.286 4.340 -0.001 0.000 0.224 407 Q C 0.047 176.040 176.000 -0.011 0.000 1.094 407 Q CA 0.453 56.243 55.803 -0.022 0.000 1.018 407 Q CB 0.300 29.025 28.738 -0.022 0.000 1.292 407 Q HN 0.555 nan 8.270 nan 0.000 0.588 408 E N -1.812 118.383 120.200 -0.008 0.000 3.496 408 E HA -0.248 4.102 4.350 -0.001 0.000 0.300 408 E C -1.190 175.403 176.600 -0.012 0.000 0.877 408 E CA 0.213 56.610 56.400 -0.005 0.000 1.050 408 E CB -1.125 28.577 29.700 0.004 0.000 1.532 408 E HN 0.175 nan 8.360 nan 0.000 0.447 409 L N 0.193 121.407 121.223 -0.015 0.000 2.409 409 L HA 0.408 4.747 4.340 -0.001 0.000 0.262 409 L C 0.258 177.116 176.870 -0.020 0.000 0.992 409 L CA -0.361 54.463 54.840 -0.027 0.000 0.817 409 L CB 1.944 43.993 42.059 -0.017 0.000 1.350 409 L HN 0.145 nan 8.230 nan 0.000 0.411 410 S N 0.268 115.957 115.700 -0.020 0.000 2.592 410 S HA 0.271 4.741 4.470 -0.001 0.000 0.271 410 S C 0.760 175.358 174.600 -0.003 0.000 1.326 410 S CA -0.493 57.704 58.200 -0.006 0.000 1.024 410 S CB 1.026 64.231 63.200 0.008 0.000 0.921 410 S HN 0.602 nan 8.310 nan 0.000 0.527 411 E N 1.654 121.852 120.200 -0.003 0.000 2.160 411 E HA -0.131 4.218 4.350 -0.001 0.000 0.195 411 E C 2.226 178.831 176.600 0.009 0.000 0.991 411 E CA 1.489 57.888 56.400 -0.002 0.000 0.810 411 E CB -0.889 28.808 29.700 -0.005 0.000 0.742 411 E HN 0.860 nan 8.360 nan 0.000 0.466 412 A N 1.005 123.838 122.820 0.021 0.000 2.070 412 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 412 A C 1.827 179.457 177.584 0.076 0.000 1.159 412 A CA 1.158 53.224 52.037 0.048 0.000 0.656 412 A CB -0.249 18.783 19.000 0.053 0.000 0.800 412 A HN 0.171 nan 8.150 nan 0.000 0.453 413 E N -0.421 119.810 120.200 0.051 0.000 2.474 413 E HA 0.012 4.361 4.350 -0.001 0.000 0.194 413 E C 0.127 176.726 176.600 -0.002 0.000 1.041 413 E CA -0.215 56.199 56.400 0.023 0.000 0.874 413 E CB 0.162 29.819 29.700 -0.073 0.000 0.914 413 E HN 0.583 nan 8.360 nan 0.000 0.498 414 Q N 0.280 120.083 119.800 0.005 0.000 2.382 414 Q HA 0.368 4.708 4.340 -0.001 0.000 0.229 414 Q C -0.179 175.817 176.000 -0.007 0.000 1.006 414 Q CA -0.122 55.682 55.803 0.002 0.000 0.916 414 Q CB 1.103 29.831 28.738 -0.018 0.000 1.235 414 Q HN 0.058 nan 8.270 nan 0.000 0.512 415 A N 0.870 123.678 122.820 -0.020 0.000 2.304 415 A HA 0.577 4.896 4.320 -0.001 0.000 0.301 415 A C -0.097 177.448 177.584 -0.064 0.000 1.132 415 A CA -0.184 51.824 52.037 -0.050 0.000 0.819 415 A CB 1.104 20.064 19.000 -0.066 0.000 1.094 415 A HN 0.568 nan 8.150 nan 0.000 0.492 416 T N 0.237 114.752 114.554 -0.065 0.000 2.909 416 T HA 0.704 5.053 4.350 -0.001 0.000 0.299 416 T C -0.953 173.717 174.700 -0.049 0.000 1.073 416 T CA -0.566 61.509 62.100 -0.042 0.000 0.999 416 T CB 1.055 69.916 68.868 -0.011 0.000 1.098 416 T HN 0.913 nan 8.240 nan 0.000 0.477 417 R N 1.160 121.665 120.500 0.008 0.000 2.629 417 R HA 0.624 4.963 4.340 -0.001 0.000 0.266 417 R C -1.720 174.765 176.300 0.308 0.000 1.051 417 R CA -0.488 55.660 56.100 0.080 0.000 0.895 417 R CB 2.198 32.403 30.300 -0.157 0.000 1.246 417 R HN 0.647 nan 8.270 nan 0.000 0.459 418 T N 4.250 118.994 114.554 0.317 0.000 2.881 418 T HA 0.639 4.989 4.350 -0.001 0.000 0.291 418 T C -0.786 173.973 174.700 0.099 0.000 0.990 418 T CA -0.691 61.519 62.100 0.184 0.000 0.976 418 T CB 0.399 69.312 68.868 0.075 0.000 0.970 418 T HN 0.585 nan 8.240 nan 0.000 0.438 419 M N 3.264 122.732 119.600 -0.218 0.000 2.724 419 M HA 0.679 5.158 4.480 -0.001 0.000 0.310 419 M C -0.765 175.389 176.300 -0.243 0.000 1.217 419 M CA -0.965 54.127 55.300 -0.346 0.000 0.894 419 M CB 2.089 34.150 32.600 -0.898 0.000 1.719 419 M HN 0.458 nan 8.290 nan 0.000 0.479 420 Q N 0.965 120.653 119.800 -0.187 0.000 2.342 420 Q HA 0.798 5.137 4.340 -0.001 0.000 0.267 420 Q C -1.889 173.998 176.000 -0.189 0.000 1.038 420 Q CA -0.782 54.928 55.803 -0.156 0.000 0.832 420 Q CB 2.408 31.088 28.738 -0.097 0.000 1.323 420 Q HN 0.957 nan 8.270 nan 0.000 0.448 421 A N 4.157 126.850 122.820 -0.211 0.000 2.350 421 A HA 0.721 5.040 4.320 -0.001 0.000 0.324 421 A C -1.331 176.254 177.584 0.002 0.000 1.118 421 A CA -0.634 51.257 52.037 -0.243 0.000 0.783 421 A CB 0.923 19.564 19.000 -0.597 0.000 1.236 421 A HN 0.754 nan 8.150 nan 0.000 0.457 422 L N 3.132 124.374 121.223 0.032 0.000 2.346 422 L HA 0.519 4.858 4.340 -0.001 0.000 0.274 422 L C -2.236 174.665 176.870 0.052 0.000 1.007 422 L CA -2.269 52.661 54.840 0.150 0.000 0.818 422 L CB 2.724 44.841 42.059 0.098 0.000 1.284 422 L HN 0.501 nan 8.230 nan 0.000 0.424 423 P HA -0.006 nan 4.420 nan 0.000 0.280 423 P C -1.146 176.018 177.300 -0.227 0.000 1.244 423 P CA -0.228 62.419 63.100 -0.755 0.000 0.784 423 P CB 0.476 31.865 31.700 -0.519 0.000 0.913 424 Y N 3.579 123.709 120.300 -0.283 0.000 2.697 424 Y HA 0.095 4.645 4.550 -0.001 0.000 0.349 424 Y C 0.629 176.503 175.900 -0.044 0.000 1.120 424 Y CA 0.181 58.221 58.100 -0.100 0.000 1.468 424 Y CB 0.040 38.508 38.460 0.013 0.000 1.182 424 Y HN 0.342 nan 8.280 nan 0.000 0.525 425 S N 4.593 120.084 115.700 -0.348 0.000 2.523 425 S HA 0.374 4.843 4.470 -0.001 0.000 0.275 425 S C 0.254 174.611 174.600 -0.406 0.000 1.281 425 S CA -0.344 57.701 58.200 -0.257 0.000 1.050 425 S CB 0.673 63.757 63.200 -0.194 0.000 0.937 425 S HN 0.801 nan 8.310 nan 0.000 0.492 426 T N 0.629 115.040 114.554 -0.238 0.000 2.824 426 T HA 0.506 4.855 4.350 -0.001 0.000 0.277 426 T C 0.132 174.741 174.700 -0.151 0.000 0.975 426 T CA -0.898 61.060 62.100 -0.238 0.000 0.966 426 T CB 0.421 69.109 68.868 -0.301 0.000 1.054 426 T HN 0.574 nan 8.240 nan 0.000 0.533 427 V N 1.487 121.339 119.914 -0.104 0.000 2.488 427 V HA 0.510 4.630 4.120 -0.001 0.000 0.277 427 V C 1.579 177.640 176.094 -0.055 0.000 1.046 427 V CA 0.296 62.561 62.300 -0.060 0.000 0.986 427 V CB -0.085 31.706 31.823 -0.054 0.000 0.989 427 V HN 1.401 nan 8.190 nan 0.000 0.475 428 G N 4.971 113.746 108.800 -0.041 0.000 2.283 428 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.280 428 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.280 428 G C 0.334 175.219 174.900 -0.025 0.000 1.029 428 G CA 0.270 45.352 45.100 -0.030 0.000 0.840 428 G HN 0.989 nan 8.290 nan 0.000 0.505 429 N N -1.448 117.232 118.700 -0.032 0.000 2.686 429 N HA -0.212 4.528 4.740 -0.001 0.000 0.261 429 N C 1.446 176.952 175.510 -0.006 0.000 1.001 429 N CA 1.574 54.613 53.050 -0.017 0.000 0.764 429 N CB -1.338 37.150 38.487 0.001 0.000 0.898 429 N HN 1.248 nan 8.380 nan 0.000 0.544 430 S N -1.239 114.445 115.700 -0.027 0.000 2.501 430 S HA 0.015 4.484 4.470 -0.001 0.000 0.220 430 S C 0.657 175.264 174.600 0.013 0.000 0.997 430 S CA 0.076 58.272 58.200 -0.008 0.000 0.919 430 S CB 0.272 63.457 63.200 -0.025 0.000 0.778 430 S HN 0.380 nan 8.310 nan 0.000 0.523 431 N N 2.234 120.922 118.700 -0.019 0.000 2.740 431 N HA -0.117 4.622 4.740 -0.001 0.000 0.248 431 N C -1.596 173.942 175.510 0.046 0.000 1.062 431 N CA 0.714 53.806 53.050 0.071 0.000 0.704 431 N CB -2.101 36.515 38.487 0.215 0.000 0.968 431 N HN 0.508 nan 8.380 nan 0.000 0.547 432 N N 0.645 119.230 118.700 -0.191 0.000 2.424 432 N HA 0.435 5.174 4.740 -0.001 0.000 0.271 432 N C -0.372 175.013 175.510 -0.208 0.000 0.985 432 N CA -0.080 52.953 53.050 -0.029 0.000 0.921 432 N CB 0.701 39.225 38.487 0.060 0.000 1.149 432 N HN 0.200 nan 8.380 nan 0.000 0.492 433 Y N 0.372 120.787 120.300 0.192 0.000 2.662 433 Y HA 0.624 5.174 4.550 -0.001 0.000 0.335 433 Y C -0.441 175.583 175.900 0.206 0.000 1.066 433 Y CA -1.297 56.867 58.100 0.107 0.000 1.116 433 Y CB 1.701 40.175 38.460 0.023 0.000 1.308 433 Y HN 0.235 nan 8.280 nan 0.000 0.502 434 L N 1.337 122.725 121.223 0.276 0.000 2.441 434 L HA 0.481 4.820 4.340 -0.001 0.000 0.270 434 L C -1.638 175.313 176.870 0.135 0.000 0.973 434 L CA -0.350 54.659 54.840 0.281 0.000 0.842 434 L CB 0.930 43.190 42.059 0.334 0.000 1.239 434 L HN 0.713 nan 8.230 nan 0.000 0.406 435 H N 4.409 123.482 119.070 0.004 0.000 2.458 435 H HA 0.696 5.251 4.556 -0.001 0.000 0.330 435 H C -1.375 173.864 175.328 -0.149 0.000 1.111 435 H CA -0.324 55.681 56.048 -0.072 0.000 1.245 435 H CB 1.313 31.043 29.762 -0.054 0.000 1.456 435 H HN 0.671 nan 8.280 nan 0.000 0.488 436 L N 4.160 124.933 121.223 -0.751 0.000 2.313 436 L HA 0.432 4.771 4.340 -0.001 0.000 0.283 436 L C -0.461 175.954 176.870 -0.757 0.000 1.013 436 L CA -0.654 53.775 54.840 -0.685 0.000 0.816 436 L CB 1.594 43.330 42.059 -0.538 0.000 1.236 436 L HN 0.657 nan 8.230 nan 0.000 0.419 437 S N 2.462 117.874 115.700 -0.479 0.000 2.513 437 S HA 0.857 5.326 4.470 -0.001 0.000 0.299 437 S C -0.610 173.863 174.600 -0.211 0.000 1.087 437 S CA -0.838 57.192 58.200 -0.283 0.000 1.012 437 S CB 2.554 65.676 63.200 -0.129 0.000 1.044 437 S HN 0.246 nan 8.310 nan 0.000 0.485 438 V N 2.766 122.587 119.914 -0.155 0.000 2.752 438 V HA 0.272 4.391 4.120 -0.001 0.000 0.302 438 V C -1.071 174.965 176.094 -0.095 0.000 1.133 438 V CA -0.731 61.490 62.300 -0.132 0.000 0.919 438 V CB 1.827 33.556 31.823 -0.157 0.000 1.026 438 V HN 0.830 nan 8.190 nan 0.000 0.429 439 L N 4.278 125.455 121.223 -0.078 0.000 2.490 439 L HA 0.386 4.725 4.340 -0.001 0.000 0.274 439 L C 0.551 177.381 176.870 -0.067 0.000 1.201 439 L CA 0.462 55.266 54.840 -0.061 0.000 0.869 439 L CB 0.046 42.075 42.059 -0.049 0.000 1.123 439 L HN 0.620 nan 8.230 nan 0.000 0.484 440 R N 2.068 122.536 120.500 -0.054 0.000 2.396 440 R HA 0.503 4.843 4.340 -0.001 0.000 0.292 440 R C -0.742 175.535 176.300 -0.038 0.000 1.240 440 R CA -0.179 55.888 56.100 -0.055 0.000 1.270 440 R CB 0.186 30.462 30.300 -0.039 0.000 1.108 440 R HN 0.852 nan 8.270 nan 0.000 0.573 441 T N -1.634 112.893 114.554 -0.045 0.000 2.696 441 T HA 0.362 4.711 4.350 -0.001 0.000 0.291 441 T C -0.503 174.172 174.700 -0.041 0.000 1.095 441 T CA -0.969 61.113 62.100 -0.030 0.000 1.026 441 T CB 0.770 69.625 68.868 -0.022 0.000 1.390 441 T HN 0.280 nan 8.240 nan 0.000 0.513 442 E N 1.189 121.371 120.200 -0.031 0.000 2.395 442 E HA 0.012 4.362 4.350 -0.001 0.000 0.237 442 E C -0.666 175.905 176.600 -0.048 0.000 1.254 442 E CA 0.197 56.576 56.400 -0.036 0.000 0.965 442 E CB -0.407 29.276 29.700 -0.028 0.000 1.068 442 E HN 0.415 nan 8.360 nan 0.000 0.471 443 L N 4.516 125.702 121.223 -0.061 0.000 2.257 443 L HA 0.257 4.596 4.340 -0.001 0.000 0.290 443 L C 0.194 177.022 176.870 -0.070 0.000 1.044 443 L CA -0.359 54.440 54.840 -0.069 0.000 0.810 443 L CB 0.352 42.366 42.059 -0.074 0.000 1.193 443 L HN 0.306 nan 8.230 nan 0.000 0.425 444 R N 3.994 124.451 120.500 -0.072 0.000 2.912 444 R HA 0.664 5.003 4.340 -0.001 0.000 0.262 444 R C -2.709 173.541 176.300 -0.083 0.000 1.057 444 R CA -2.301 53.758 56.100 -0.067 0.000 0.981 444 R CB 0.260 30.530 30.300 -0.050 0.000 1.201 444 R HN 0.314 nan 8.270 nan 0.000 0.484 445 P HA -0.016 nan 4.420 nan 0.000 0.268 445 P C 0.658 177.917 177.300 -0.069 0.000 1.208 445 P CA 1.121 64.179 63.100 -0.070 0.000 0.777 445 P CB 0.583 32.266 31.700 -0.029 0.000 0.875 446 G N 0.779 109.532 108.800 -0.080 0.000 2.812 446 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 446 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 446 G C 0.280 175.127 174.900 -0.088 0.000 1.275 446 G CA -0.084 44.976 45.100 -0.068 0.000 0.769 446 G HN 0.580 nan 8.290 nan 0.000 0.527 447 E N 0.975 121.119 120.200 -0.093 0.000 2.468 447 E HA 0.359 4.708 4.350 -0.001 0.000 0.263 447 E C 0.073 176.595 176.600 -0.129 0.000 1.192 447 E CA 1.116 57.458 56.400 -0.096 0.000 1.016 447 E CB 0.372 30.018 29.700 -0.090 0.000 0.980 447 E HN 0.307 nan 8.360 nan 0.000 0.467 448 T N 1.167 115.655 114.554 -0.109 0.000 2.812 448 T HA 0.415 4.764 4.350 -0.001 0.000 0.282 448 T C -1.284 173.352 174.700 -0.106 0.000 0.990 448 T CA -0.810 61.219 62.100 -0.119 0.000 0.960 448 T CB 0.604 69.422 68.868 -0.084 0.000 0.948 448 T HN 0.242 nan 8.240 nan 0.000 0.438 449 L N 5.294 126.443 121.223 -0.124 0.000 2.309 449 L HA 0.679 5.018 4.340 -0.001 0.000 0.282 449 L C -0.647 176.179 176.870 -0.073 0.000 1.036 449 L CA -0.342 54.445 54.840 -0.089 0.000 0.806 449 L CB 1.329 43.348 42.059 -0.068 0.000 1.220 449 L HN 0.565 nan 8.230 nan 0.000 0.429 450 N N 3.489 122.152 118.700 -0.063 0.000 2.422 450 N HA 0.427 5.166 4.740 -0.001 0.000 0.266 450 N C -1.229 174.235 175.510 -0.077 0.000 1.007 450 N CA -0.275 52.742 53.050 -0.055 0.000 0.941 450 N CB 1.764 40.225 38.487 -0.044 0.000 1.115 450 N HN 0.372 nan 8.380 nan 0.000 0.492 451 V N 3.007 122.871 119.914 -0.083 0.000 2.334 451 V HA 0.317 4.437 4.120 -0.001 0.000 0.281 451 V C -0.057 175.915 176.094 -0.203 0.000 1.016 451 V CA -1.017 61.176 62.300 -0.179 0.000 0.832 451 V CB 0.623 32.327 31.823 -0.199 0.000 0.999 451 V HN 0.538 nan 8.190 nan 0.000 0.439 452 N N 4.235 122.785 118.700 -0.251 0.000 2.472 452 N HA 0.384 5.123 4.740 -0.001 0.000 0.277 452 N C -0.938 174.365 175.510 -0.344 0.000 1.081 452 N CA -0.074 52.873 53.050 -0.171 0.000 0.973 452 N CB 1.482 39.901 38.487 -0.114 0.000 1.105 452 N HN 0.505 nan 8.380 nan 0.000 0.470 453 F N 2.043 121.888 119.950 -0.175 0.000 2.318 453 F HA 0.208 4.734 4.527 -0.001 0.000 0.356 453 F C 0.294 176.000 175.800 -0.157 0.000 1.109 453 F CA -0.918 56.907 58.000 -0.291 0.000 1.234 453 F CB 0.591 39.266 39.000 -0.541 0.000 1.545 453 F HN 0.272 nan 8.300 nan 0.000 0.534 454 L N 5.135 126.368 121.223 0.017 0.000 2.363 454 L HA 0.319 4.658 4.340 -0.001 0.000 0.286 454 L C -0.349 176.608 176.870 0.144 0.000 1.106 454 L CA -0.384 54.508 54.840 0.087 0.000 0.859 454 L CB -0.285 41.830 42.059 0.094 0.000 1.223 454 L HN 0.418 nan 8.230 nan 0.000 0.446 455 L N 5.699 127.033 121.223 0.185 0.000 2.461 455 L HA 0.285 4.624 4.340 -0.001 0.000 0.272 455 L C 0.484 177.463 176.870 0.182 0.000 1.197 455 L CA 0.667 55.641 54.840 0.224 0.000 0.836 455 L CB 0.327 42.491 42.059 0.176 0.000 1.105 455 L HN 0.829 nan 8.230 nan 0.000 0.477 456 R N 4.446 125.083 120.500 0.228 0.000 2.583 456 R HA 0.311 4.650 4.340 -0.001 0.000 0.329 456 R C -0.965 175.489 176.300 0.257 0.000 1.166 456 R CA -0.143 56.093 56.100 0.227 0.000 1.264 456 R CB 0.184 30.639 30.300 0.257 0.000 1.324 456 R HN 0.857 nan 8.270 nan 0.000 0.684 457 M N -2.156 117.554 119.600 0.183 0.000 2.852 457 M HA 0.657 5.136 4.480 -0.001 0.000 0.301 457 M C -1.388 174.979 176.300 0.111 0.000 1.229 457 M CA -0.418 54.980 55.300 0.163 0.000 0.832 457 M CB 1.771 34.468 32.600 0.163 0.000 1.726 457 M HN -0.177 nan 8.290 nan 0.000 0.497 458 D N -0.240 120.227 120.400 0.111 0.000 2.362 458 D HA 0.367 5.007 4.640 -0.001 0.000 0.247 458 D C 0.404 176.731 176.300 0.045 0.000 1.050 458 D CA -0.556 53.495 54.000 0.084 0.000 0.839 458 D CB 1.679 42.538 40.800 0.097 0.000 1.283 458 D HN 0.770 nan 8.370 nan 0.000 0.477 459 R N 1.987 122.492 120.500 0.008 0.000 2.386 459 R HA -0.389 3.950 4.340 -0.001 0.000 0.252 459 R C 1.442 177.680 176.300 -0.102 0.000 1.058 459 R CA 2.296 58.375 56.100 -0.035 0.000 0.938 459 R CB -1.067 29.213 30.300 -0.034 0.000 0.931 459 R HN 0.404 nan 8.270 nan 0.000 0.455 460 A N 0.323 123.025 122.820 -0.196 0.000 2.015 460 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 460 A C 1.264 178.472 177.584 -0.627 0.000 1.163 460 A CA 1.367 53.133 52.037 -0.453 0.000 0.646 460 A CB -0.362 18.255 19.000 -0.639 0.000 0.806 460 A HN 0.679 nan 8.150 nan 0.000 0.448 461 H N -1.559 117.499 119.070 -0.019 0.000 3.233 461 H HA 0.070 4.625 4.556 -0.001 0.000 0.263 461 H C 1.602 176.893 175.328 -0.062 0.000 1.168 461 H CA 0.747 56.774 56.048 -0.034 0.000 1.159 461 H CB 0.093 29.842 29.762 -0.021 0.000 1.593 461 H HN 0.799 nan 8.280 nan 0.000 0.580 462 E N 1.859 122.064 120.200 0.008 0.000 2.118 462 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 462 E C 2.180 178.732 176.600 -0.080 0.000 0.992 462 E CA 1.455 57.828 56.400 -0.047 0.000 0.804 462 E CB -0.256 29.423 29.700 -0.035 0.000 0.741 462 E HN 0.207 nan 8.360 nan 0.000 0.458 463 A N 0.817 123.600 122.820 -0.061 0.000 2.070 463 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 463 A C 2.119 179.657 177.584 -0.076 0.000 1.159 463 A CA 1.460 53.458 52.037 -0.065 0.000 0.656 463 A CB -0.524 18.446 19.000 -0.050 0.000 0.800 463 A HN 0.212 nan 8.150 nan 0.000 0.453 464 K N -0.489 119.872 120.400 -0.066 0.000 2.486 464 K HA 0.059 4.379 4.320 -0.001 0.000 0.194 464 K C -0.388 176.116 176.600 -0.159 0.000 1.033 464 K CA 0.085 56.329 56.287 -0.072 0.000 1.004 464 K CB -0.008 32.486 32.500 -0.010 0.000 0.798 464 K HN 0.324 nan 8.250 nan 0.000 0.495 465 I N 2.193 122.626 120.570 -0.228 0.000 2.301 465 I HA 0.112 4.281 4.170 -0.001 0.000 0.292 465 I C 0.801 176.685 176.117 -0.387 0.000 1.046 465 I CA 0.048 61.113 61.300 -0.391 0.000 1.282 465 I CB 1.198 38.871 38.000 -0.546 0.000 1.409 465 I HN -0.021 nan 8.210 nan 0.000 0.484 466 R N 5.426 125.660 120.500 -0.443 0.000 2.265 466 R HA 0.155 4.494 4.340 -0.001 0.000 0.194 466 R C -0.481 175.714 176.300 -0.175 0.000 0.931 466 R CA 0.401 56.351 56.100 -0.250 0.000 1.032 466 R CB -0.031 30.218 30.300 -0.086 0.000 0.980 466 R HN 0.701 nan 8.270 nan 0.000 0.497 467 Y N -3.362 116.762 120.300 -0.294 0.000 2.702 467 Y HA 0.511 5.061 4.550 -0.001 0.000 0.336 467 Y C -1.510 174.107 175.900 -0.471 0.000 1.203 467 Y CA -2.341 55.575 58.100 -0.307 0.000 1.072 467 Y CB 0.272 38.660 38.460 -0.119 0.000 1.327 467 Y HN -0.188 nan 8.280 nan 0.000 0.456 468 Y N 0.232 120.627 120.300 0.158 0.000 2.352 468 Y HA 0.633 5.182 4.550 -0.001 0.000 0.339 468 Y C -0.011 176.000 175.900 0.185 0.000 0.992 468 Y CA -1.137 57.052 58.100 0.147 0.000 1.100 468 Y CB 2.324 40.790 38.460 0.010 0.000 1.192 468 Y HN 0.650 nan 8.280 nan 0.000 0.458 469 T N 4.199 118.890 114.554 0.228 0.000 2.780 469 T HA 0.336 4.686 4.350 -0.001 0.000 0.294 469 T C -1.008 173.891 174.700 0.331 0.000 0.949 469 T CA -0.420 61.768 62.100 0.146 0.000 1.074 469 T CB -0.296 68.577 68.868 0.008 0.000 0.910 469 T HN 0.516 nan 8.240 nan 0.000 0.501 470 Y N 1.909 122.359 120.300 0.250 0.000 2.462 470 Y HA 0.811 5.361 4.550 -0.001 0.000 0.346 470 Y C -1.798 174.254 175.900 0.254 0.000 0.976 470 Y CA -1.846 56.432 58.100 0.295 0.000 1.044 470 Y CB 0.857 39.530 38.460 0.355 0.000 1.230 470 Y HN 0.329 nan 8.280 nan 0.000 0.455 471 L N 4.730 126.151 121.223 0.329 0.000 2.401 471 L HA 0.594 4.933 4.340 -0.001 0.000 0.266 471 L C -0.821 176.214 176.870 0.275 0.000 0.991 471 L CA -0.842 54.128 54.840 0.218 0.000 0.818 471 L CB 2.329 44.529 42.059 0.235 0.000 1.321 471 L HN 0.691 nan 8.230 nan 0.000 0.413 472 I N 3.139 123.837 120.570 0.213 0.000 2.411 472 I HA 0.405 4.575 4.170 -0.001 0.000 0.284 472 I C -0.670 175.524 176.117 0.129 0.000 1.012 472 I CA -0.417 61.017 61.300 0.222 0.000 1.119 472 I CB 1.512 39.617 38.000 0.174 0.000 1.261 472 I HN 0.430 nan 8.210 nan 0.000 0.448 473 M N 5.952 125.656 119.600 0.173 0.000 2.318 473 M HA 0.376 4.855 4.480 -0.001 0.000 0.347 473 M C -0.405 175.977 176.300 0.137 0.000 1.175 473 M CA 0.000 55.381 55.300 0.134 0.000 1.075 473 M CB 1.378 34.069 32.600 0.153 0.000 1.614 473 M HN 0.562 nan 8.290 nan 0.000 0.456 474 N N 2.306 121.056 118.700 0.083 0.000 2.493 474 N HA 0.145 4.884 4.740 -0.001 0.000 0.279 474 N C -1.017 174.551 175.510 0.098 0.000 1.082 474 N CA -0.122 52.973 53.050 0.076 0.000 0.963 474 N CB 1.599 40.050 38.487 -0.061 0.000 1.627 474 N HN 0.668 nan 8.380 nan 0.000 0.499 475 K N 2.128 122.619 120.400 0.152 0.000 3.088 475 K HA -0.200 4.119 4.320 -0.001 0.000 0.273 475 K C 0.594 177.301 176.600 0.177 0.000 1.111 475 K CA 1.042 57.455 56.287 0.209 0.000 0.803 475 K CB -1.664 30.985 32.500 0.249 0.000 1.226 475 K HN 1.062 nan 8.250 nan 0.000 0.485 476 G N 0.236 109.119 108.800 0.139 0.000 2.160 476 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.244 476 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.244 476 G C -0.141 174.789 174.900 0.050 0.000 1.022 476 G CA 0.739 45.895 45.100 0.094 0.000 0.741 476 G HN 0.648 nan 8.290 nan 0.000 0.508 477 R N -1.669 118.865 120.500 0.055 0.000 2.710 477 R HA 0.725 5.064 4.340 -0.001 0.000 0.270 477 R C -0.431 175.886 176.300 0.029 0.000 1.021 477 R CA -1.294 54.821 56.100 0.025 0.000 0.889 477 R CB 0.605 30.905 30.300 -0.001 0.000 1.243 477 R HN 0.130 nan 8.270 nan 0.000 0.464 478 L N 3.186 124.421 121.223 0.021 0.000 2.565 478 L HA 0.081 4.420 4.340 -0.001 0.000 0.275 478 L C 0.776 177.638 176.870 -0.012 0.000 1.137 478 L CA -0.266 54.589 54.840 0.026 0.000 0.915 478 L CB 0.582 42.664 42.059 0.039 0.000 1.232 478 L HN 0.656 nan 8.230 nan 0.000 0.473 479 L N 4.096 125.296 121.223 -0.039 0.000 2.049 479 L HA 0.076 4.415 4.340 -0.001 0.000 0.203 479 L C 0.734 177.560 176.870 -0.073 0.000 1.074 479 L CA 1.659 56.440 54.840 -0.099 0.000 0.749 479 L CB -0.096 41.821 42.059 -0.237 0.000 0.907 479 L HN 0.549 nan 8.230 nan 0.000 0.439 480 K N -0.930 119.444 120.400 -0.043 0.000 2.502 480 K HA 0.686 5.005 4.320 -0.001 0.000 0.257 480 K C -1.879 174.707 176.600 -0.022 0.000 0.938 480 K CA -0.306 55.971 56.287 -0.017 0.000 0.819 480 K CB 1.943 34.455 32.500 0.021 0.000 1.333 480 K HN 0.055 nan 8.250 nan 0.000 0.434 481 A N 1.993 124.764 122.820 -0.082 0.000 2.385 481 A HA 0.755 5.074 4.320 -0.001 0.000 0.290 481 A C -0.752 176.648 177.584 -0.307 0.000 1.094 481 A CA -0.213 51.726 52.037 -0.163 0.000 0.729 481 A CB 1.480 20.462 19.000 -0.031 0.000 1.194 481 A HN 0.805 nan 8.150 nan 0.000 0.442 482 G N 1.093 109.452 108.800 -0.735 0.000 3.022 482 G HA2 0.731 4.691 3.960 -0.001 0.000 0.284 482 G HA3 0.731 4.691 3.960 -0.001 0.000 0.284 482 G C -1.297 173.316 174.900 -0.478 0.000 1.375 482 G CA -0.715 43.983 45.100 -0.671 0.000 0.902 482 G HN 0.552 nan 8.290 nan 0.000 0.538 483 R N 0.095 120.573 120.500 -0.037 0.000 2.575 483 R HA 0.410 4.749 4.340 -0.001 0.000 0.293 483 R C -1.314 175.151 176.300 0.275 0.000 0.983 483 R CA -0.869 55.298 56.100 0.112 0.000 0.887 483 R CB 1.966 32.237 30.300 -0.049 0.000 1.184 483 R HN 0.521 nan 8.270 nan 0.000 0.445 484 Q N 2.824 122.764 119.800 0.233 0.000 2.465 484 Q HA 0.212 4.551 4.340 -0.001 0.000 0.237 484 Q C -0.344 175.681 176.000 0.041 0.000 1.051 484 Q CA -0.568 55.249 55.803 0.024 0.000 0.874 484 Q CB 0.811 29.309 28.738 -0.400 0.000 1.207 484 Q HN 0.490 nan 8.270 nan 0.000 0.508 485 V N 2.064 122.002 119.914 0.040 0.000 2.763 485 V HA 0.464 4.583 4.120 -0.001 0.000 0.306 485 V C 0.076 176.171 176.094 0.002 0.000 1.059 485 V CA -0.439 61.883 62.300 0.038 0.000 1.138 485 V CB 0.839 32.681 31.823 0.031 0.000 0.940 485 V HN 0.801 nan 8.190 nan 0.000 0.489 486 R N 2.022 122.499 120.500 -0.040 0.000 2.771 486 R HA 0.614 4.953 4.340 -0.001 0.000 0.274 486 R C -0.942 175.317 176.300 -0.070 0.000 0.987 486 R CA -0.682 55.377 56.100 -0.069 0.000 0.908 486 R CB 2.366 32.552 30.300 -0.191 0.000 1.213 486 R HN 0.975 nan 8.270 nan 0.000 0.468 487 E N 2.200 122.370 120.200 -0.050 0.000 2.336 487 E HA 0.367 4.717 4.350 -0.001 0.000 0.267 487 E C -2.574 173.997 176.600 -0.049 0.000 0.906 487 E CA -2.331 54.042 56.400 -0.045 0.000 0.781 487 E CB 2.265 31.952 29.700 -0.022 0.000 1.261 487 E HN 0.410 nan 8.360 nan 0.000 0.436 488 P HA -0.076 nan 4.420 nan 0.000 0.263 488 P C 0.642 177.925 177.300 -0.028 0.000 1.175 488 P CA 1.315 64.388 63.100 -0.046 0.000 0.761 488 P CB 0.246 31.922 31.700 -0.039 0.000 0.794 489 G N 2.078 110.864 108.800 -0.024 0.000 2.225 489 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 489 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 489 G C 0.203 175.105 174.900 0.004 0.000 0.988 489 G CA -0.311 44.784 45.100 -0.009 0.000 0.625 489 G HN 0.602 nan 8.290 nan 0.000 0.527 490 Q N 1.006 120.810 119.800 0.006 0.000 2.534 490 Q HA 0.253 4.592 4.340 -0.001 0.000 0.223 490 Q C 0.410 176.442 176.000 0.053 0.000 1.239 490 Q CA -0.305 55.515 55.803 0.029 0.000 0.936 490 Q CB 0.433 29.191 28.738 0.032 0.000 1.457 490 Q HN 0.332 nan 8.270 nan 0.000 0.547 491 D N 1.044 121.475 120.400 0.052 0.000 2.219 491 D HA -0.035 4.605 4.640 -0.001 0.000 0.205 491 D C 0.166 176.523 176.300 0.096 0.000 0.970 491 D CA 1.003 55.045 54.000 0.069 0.000 0.851 491 D CB 0.562 41.394 40.800 0.052 0.000 0.943 491 D HN 0.341 nan 8.370 nan 0.000 0.488 492 L N 0.607 121.882 121.223 0.087 0.000 2.476 492 L HA 0.324 4.663 4.340 -0.001 0.000 0.269 492 L C -1.496 175.432 176.870 0.098 0.000 0.965 492 L CA -0.731 54.164 54.840 0.093 0.000 0.845 492 L CB 2.048 44.144 42.059 0.061 0.000 1.259 492 L HN -0.242 nan 8.230 nan 0.000 0.403 493 V N 3.208 123.204 119.914 0.138 0.000 2.577 493 V HA 0.649 4.768 4.120 -0.001 0.000 0.303 493 V C -0.211 175.984 176.094 0.169 0.000 1.042 493 V CA -0.775 61.602 62.300 0.128 0.000 0.872 493 V CB 1.501 33.395 31.823 0.119 0.000 0.998 493 V HN 0.490 nan 8.190 nan 0.000 0.423 494 V N 3.014 122.991 119.914 0.105 0.000 2.607 494 V HA 0.749 4.868 4.120 -0.001 0.000 0.289 494 V C -0.213 175.942 176.094 0.100 0.000 1.053 494 V CA -0.503 61.854 62.300 0.096 0.000 0.996 494 V CB 1.317 33.161 31.823 0.035 0.000 0.995 494 V HN 1.046 nan 8.190 nan 0.000 0.476 495 L N 6.611 127.904 121.223 0.116 0.000 2.316 495 L HA 0.682 5.022 4.340 -0.001 0.000 0.280 495 L C -2.512 174.358 176.870 -0.001 0.000 1.006 495 L CA -2.225 52.648 54.840 0.054 0.000 0.836 495 L CB 1.702 43.820 42.059 0.098 0.000 1.221 495 L HN 0.601 nan 8.230 nan 0.000 0.418 496 P HA 0.131 nan 4.420 nan 0.000 0.266 496 P C -0.862 176.412 177.300 -0.043 0.000 1.586 496 P CA -0.365 62.718 63.100 -0.028 0.000 1.088 496 P CB 0.694 32.383 31.700 -0.019 0.000 1.584 497 L N 4.257 125.440 121.223 -0.067 0.000 2.260 497 L HA 0.292 4.632 4.340 -0.001 0.000 0.289 497 L C 0.294 177.059 176.870 -0.174 0.000 1.057 497 L CA -0.215 54.570 54.840 -0.092 0.000 0.811 497 L CB 0.654 42.664 42.059 -0.082 0.000 1.184 497 L HN 0.242 nan 8.230 nan 0.000 0.429 498 S N 5.928 121.528 115.700 -0.166 0.000 2.523 498 S HA 0.518 4.987 4.470 -0.001 0.000 0.275 498 S C -0.059 174.273 174.600 -0.447 0.000 1.281 498 S CA -0.808 57.263 58.200 -0.215 0.000 1.050 498 S CB 0.769 63.903 63.200 -0.110 0.000 0.937 498 S HN 0.452 nan 8.310 nan 0.000 0.492 499 I N 4.494 124.758 120.570 -0.510 0.000 2.291 499 I HA 0.227 4.396 4.170 -0.001 0.000 0.290 499 I C 1.280 177.161 176.117 -0.394 0.000 1.050 499 I CA -0.089 60.717 61.300 -0.823 0.000 1.245 499 I CB 0.073 37.717 38.000 -0.594 0.000 1.405 499 I HN 0.959 nan 8.210 nan 0.000 0.478 500 T N 1.499 115.936 114.554 -0.195 0.000 2.867 500 T HA 0.215 4.564 4.350 -0.001 0.000 0.286 500 T C 1.448 176.225 174.700 0.128 0.000 1.022 500 T CA 0.158 62.292 62.100 0.056 0.000 0.933 500 T CB 0.968 69.924 68.868 0.147 0.000 1.280 500 T HN 0.639 nan 8.240 nan 0.000 0.566 501 T N -2.163 112.450 114.554 0.097 0.000 3.035 501 T HA -0.002 4.348 4.350 -0.001 0.000 0.268 501 T C 0.995 175.751 174.700 0.093 0.000 1.109 501 T CA 0.996 63.145 62.100 0.082 0.000 1.119 501 T CB -0.721 68.189 68.868 0.071 0.000 0.900 501 T HN 0.595 nan 8.240 nan 0.000 0.503 502 D N 0.692 121.156 120.400 0.105 0.000 2.310 502 D HA 0.072 4.711 4.640 -0.001 0.000 0.212 502 D C 1.019 177.239 176.300 -0.134 0.000 0.965 502 D CA 0.593 54.585 54.000 -0.014 0.000 0.879 502 D CB -0.487 40.256 40.800 -0.095 0.000 0.921 502 D HN 0.526 nan 8.370 nan 0.000 0.510 503 F N 0.412 120.270 119.950 -0.153 0.000 2.710 503 F HA 0.173 4.699 4.527 -0.001 0.000 0.298 503 F C 1.058 176.773 175.800 -0.141 0.000 1.137 503 F CA -0.130 57.736 58.000 -0.223 0.000 1.444 503 F CB 0.000 38.739 39.000 -0.435 0.000 1.111 503 F HN -0.156 nan 8.300 nan 0.000 0.580 504 I N 3.156 123.701 120.570 -0.041 0.000 2.692 504 I HA -0.013 4.156 4.170 -0.001 0.000 0.284 504 I C -1.101 174.761 176.117 -0.425 0.000 1.159 504 I CA -1.277 59.847 61.300 -0.293 0.000 1.423 504 I CB 0.674 38.459 38.000 -0.359 0.000 1.380 504 I HN -0.151 nan 8.210 nan 0.000 0.580 505 P HA -0.008 nan 4.420 nan 0.000 0.230 505 P C -0.049 177.113 177.300 -0.231 0.000 1.168 505 P CA 0.644 63.369 63.100 -0.625 0.000 0.793 505 P CB 0.411 31.742 31.700 -0.615 0.000 0.851 506 S N -0.998 114.659 115.700 -0.072 0.000 2.636 506 S HA 0.680 5.149 4.470 -0.001 0.000 0.266 506 S C -1.343 173.334 174.600 0.127 0.000 1.147 506 S CA -0.838 57.331 58.200 -0.053 0.000 0.815 506 S CB 1.013 64.113 63.200 -0.165 0.000 1.119 506 S HN 0.101 nan 8.310 nan 0.000 0.470 507 F N -1.379 118.411 119.950 -0.267 0.000 2.713 507 F HA 0.836 5.362 4.527 -0.001 0.000 0.311 507 F C -1.238 174.495 175.800 -0.112 0.000 1.141 507 F CA -1.139 56.801 58.000 -0.099 0.000 0.939 507 F CB 1.186 40.188 39.000 0.002 0.000 1.325 507 F HN 0.765 nan 8.300 nan 0.000 0.453 508 R N 1.960 122.515 120.500 0.092 0.000 2.562 508 R HA 0.641 4.980 4.340 -0.001 0.000 0.298 508 R C -1.771 174.643 176.300 0.190 0.000 0.961 508 R CA -1.132 54.995 56.100 0.046 0.000 0.881 508 R CB 2.129 32.526 30.300 0.161 0.000 1.159 508 R HN 0.670 nan 8.270 nan 0.000 0.450 509 L N 4.823 126.114 121.223 0.113 0.000 2.276 509 L HA 0.429 4.769 4.340 -0.001 0.000 0.286 509 L C -1.024 175.912 176.870 0.110 0.000 1.024 509 L CA -0.516 54.445 54.840 0.202 0.000 0.826 509 L CB 1.574 43.742 42.059 0.181 0.000 1.211 509 L HN 0.354 nan 8.230 nan 0.000 0.422 510 V N 4.541 124.543 119.914 0.147 0.000 2.483 510 V HA 0.891 5.010 4.120 -0.001 0.000 0.295 510 V C 0.267 176.462 176.094 0.170 0.000 1.035 510 V CA -0.536 61.797 62.300 0.055 0.000 0.896 510 V CB 1.390 33.184 31.823 -0.048 0.000 0.986 510 V HN 0.948 nan 8.190 nan 0.000 0.447 511 A N 4.220 127.119 122.820 0.132 0.000 2.515 511 A HA 1.026 5.346 4.320 -0.001 0.000 0.296 511 A C -1.368 176.423 177.584 0.345 0.000 1.094 511 A CA -0.605 51.632 52.037 0.333 0.000 0.718 511 A CB 2.050 21.290 19.000 0.399 0.000 1.307 511 A HN 1.484 nan 8.150 nan 0.000 0.408 512 Y N -1.191 119.297 120.300 0.312 0.000 2.677 512 Y HA 0.708 5.257 4.550 -0.001 0.000 0.334 512 Y C -1.501 174.635 175.900 0.394 0.000 1.196 512 Y CA -1.396 56.842 58.100 0.230 0.000 1.059 512 Y CB 0.715 39.268 38.460 0.154 0.000 1.315 512 Y HN 1.318 nan 8.280 nan 0.000 0.455 513 Y N -0.714 119.717 120.300 0.218 0.000 2.609 513 Y HA 0.883 5.433 4.550 -0.001 0.000 0.342 513 Y C -1.281 174.653 175.900 0.056 0.000 1.058 513 Y CA -1.174 56.918 58.100 -0.014 0.000 1.055 513 Y CB 1.933 40.356 38.460 -0.062 0.000 1.292 513 Y HN 0.929 nan 8.280 nan 0.000 0.476 514 T N 3.379 118.015 114.554 0.138 0.000 2.993 514 T HA 0.715 5.065 4.350 -0.001 0.000 0.312 514 T C -1.591 173.098 174.700 -0.018 0.000 1.115 514 T CA -0.579 61.527 62.100 0.010 0.000 1.027 514 T CB 0.807 69.609 68.868 -0.110 0.000 1.116 514 T HN 1.162 nan 8.240 nan 0.000 0.464 515 L N 2.184 123.393 121.223 -0.024 0.000 2.765 515 L HA 0.777 5.116 4.340 -0.001 0.000 0.263 515 L C -1.815 175.005 176.870 -0.082 0.000 1.068 515 L CA -1.394 53.415 54.840 -0.052 0.000 0.903 515 L CB 1.798 43.838 42.059 -0.032 0.000 1.512 515 L HN 0.571 nan 8.230 nan 0.000 0.404 516 I N 0.865 121.378 120.570 -0.093 0.000 2.354 516 I HA 0.784 4.953 4.170 -0.001 0.000 0.292 516 I C 0.414 176.406 176.117 -0.210 0.000 0.989 516 I CA -0.170 61.058 61.300 -0.119 0.000 1.188 516 I CB 1.366 39.315 38.000 -0.084 0.000 1.342 516 I HN 0.892 nan 8.210 nan 0.000 0.457 517 G N 2.906 111.529 108.800 -0.295 0.000 2.871 517 G HA2 0.624 4.583 3.960 -0.001 0.000 0.282 517 G HA3 0.624 4.583 3.960 -0.001 0.000 0.282 517 G C 0.126 174.794 174.900 -0.386 0.000 1.212 517 G CA 0.098 44.810 45.100 -0.646 0.000 0.812 517 G HN 0.817 nan 8.290 nan 0.000 0.547 518 A N -0.788 121.815 122.820 -0.362 0.000 5.101 518 A HA -0.348 3.971 4.320 -0.001 0.000 0.360 518 A C 2.353 179.928 177.584 -0.014 0.000 1.612 518 A CA 4.059 56.057 52.037 -0.065 0.000 0.689 518 A CB -1.900 17.067 19.000 -0.056 0.000 1.522 518 A HN 2.119 nan 8.150 nan 0.000 0.416 519 S N -1.931 113.750 115.700 -0.031 0.000 2.431 519 S HA 0.428 4.898 4.470 -0.001 0.000 0.210 519 S C 1.313 175.897 174.600 -0.026 0.000 1.013 519 S CA 1.572 59.764 58.200 -0.013 0.000 0.920 519 S CB 0.326 63.520 63.200 -0.011 0.000 0.882 519 S HN 2.196 nan 8.310 nan 0.000 0.567 520 G N 1.413 110.189 108.800 -0.041 0.000 5.129 520 G HA2 0.245 4.204 3.960 -0.001 0.000 0.253 520 G HA3 0.245 4.204 3.960 -0.001 0.000 0.253 520 G C -0.597 174.266 174.900 -0.062 0.000 0.912 520 G CA -0.371 44.700 45.100 -0.048 0.000 0.729 520 G HN 0.319 nan 8.290 nan 0.000 0.373 521 Q N 0.746 120.500 119.800 -0.077 0.000 2.311 521 Q HA 0.172 4.511 4.340 -0.001 0.000 0.272 521 Q C 0.048 175.991 176.000 -0.095 0.000 1.012 521 Q CA -0.084 55.671 55.803 -0.079 0.000 0.891 521 Q CB 1.665 30.355 28.738 -0.080 0.000 1.201 521 Q HN 0.247 nan 8.270 nan 0.000 0.391 522 R N 2.698 123.145 120.500 -0.088 0.000 2.220 522 R HA 0.085 4.425 4.340 -0.001 0.000 0.340 522 R C -0.739 175.481 176.300 -0.134 0.000 1.076 522 R CA 0.116 56.154 56.100 -0.103 0.000 0.920 522 R CB 0.177 30.422 30.300 -0.090 0.000 1.062 522 R HN 0.527 nan 8.270 nan 0.000 0.469 523 E N 3.484 123.599 120.200 -0.142 0.000 2.133 523 E HA 0.347 4.697 4.350 -0.001 0.000 0.274 523 E C -1.230 175.231 176.600 -0.232 0.000 0.930 523 E CA -0.893 55.401 56.400 -0.176 0.000 0.770 523 E CB 1.278 30.910 29.700 -0.114 0.000 1.104 523 E HN 0.378 nan 8.360 nan 0.000 0.403 524 V N 5.237 124.903 119.914 -0.413 0.000 2.370 524 V HA 0.329 4.448 4.120 -0.001 0.000 0.283 524 V C -0.413 175.447 176.094 -0.391 0.000 1.023 524 V CA -0.750 61.268 62.300 -0.469 0.000 0.857 524 V CB 1.449 32.790 31.823 -0.803 0.000 0.985 524 V HN 0.484 nan 8.190 nan 0.000 0.443 525 V N 3.789 123.475 119.914 -0.379 0.000 2.448 525 V HA 0.947 5.066 4.120 -0.001 0.000 0.295 525 V C 0.178 176.169 176.094 -0.172 0.000 1.025 525 V CA -0.382 61.728 62.300 -0.317 0.000 0.859 525 V CB 1.400 32.794 31.823 -0.715 0.000 0.988 525 V HN 1.033 nan 8.190 nan 0.000 0.431 526 A N 3.316 126.168 122.820 0.053 0.000 2.556 526 A HA 0.915 5.235 4.320 -0.001 0.000 0.294 526 A C -1.587 175.961 177.584 -0.060 0.000 1.091 526 A CA -0.457 51.605 52.037 0.043 0.000 0.704 526 A CB 2.265 21.283 19.000 0.031 0.000 1.300 526 A HN 0.771 nan 8.150 nan 0.000 0.406 527 D N -0.650 119.694 120.400 -0.093 0.000 2.717 527 D HA 0.633 5.272 4.640 -0.001 0.000 0.223 527 D C -0.633 175.598 176.300 -0.114 0.000 1.240 527 D CA 0.472 54.399 54.000 -0.122 0.000 0.801 527 D CB 2.072 42.791 40.800 -0.135 0.000 1.556 527 D HN 0.867 nan 8.370 nan 0.000 0.462 528 S N 0.512 116.161 115.700 -0.086 0.000 2.667 528 S HA 0.883 5.353 4.470 -0.001 0.000 0.292 528 S C -1.310 173.268 174.600 -0.037 0.000 1.126 528 S CA -0.776 57.388 58.200 -0.060 0.000 0.881 528 S CB 1.905 65.081 63.200 -0.040 0.000 1.132 528 S HN 0.678 nan 8.310 nan 0.000 0.492 529 V N 0.983 120.878 119.914 -0.031 0.000 2.924 529 V HA 0.605 4.725 4.120 -0.001 0.000 0.300 529 V C -2.219 173.861 176.094 -0.022 0.000 1.227 529 V CA -0.668 61.618 62.300 -0.022 0.000 0.954 529 V CB 1.873 33.631 31.823 -0.109 0.000 1.055 529 V HN 1.072 nan 8.190 nan 0.000 0.429 530 W N 6.881 128.086 121.300 -0.160 0.000 2.361 530 W HA 0.734 5.393 4.660 -0.001 0.000 0.309 530 W C -1.167 175.162 176.519 -0.317 0.000 1.122 530 W CA -0.336 56.877 57.345 -0.220 0.000 1.208 530 W CB 1.503 30.891 29.460 -0.120 0.000 1.246 530 W HN 0.501 nan 8.180 nan 0.000 0.490 531 V N 6.976 126.142 119.914 -1.246 0.000 2.487 531 V HA 0.161 4.280 4.120 -0.001 0.000 0.298 531 V C -0.177 175.026 176.094 -1.484 0.000 1.028 531 V CA -0.907 60.647 62.300 -1.243 0.000 0.860 531 V CB 1.428 32.569 31.823 -1.138 0.000 0.991 531 V HN 0.475 nan 8.190 nan 0.000 0.427 532 D N 2.755 122.429 120.400 -1.211 0.000 2.302 532 D HA 0.434 5.074 4.640 -0.001 0.000 0.248 532 D C -0.557 175.538 176.300 -0.341 0.000 1.094 532 D CA 0.187 53.698 54.000 -0.816 0.000 0.897 532 D CB 2.000 42.516 40.800 -0.473 0.000 1.200 532 D HN 0.260 nan 8.370 nan 0.000 0.429 533 V N 2.867 122.662 119.914 -0.198 0.000 2.769 533 V HA 0.203 4.322 4.120 -0.001 0.000 0.312 533 V C 0.116 176.134 176.094 -0.126 0.000 1.058 533 V CA -0.997 61.244 62.300 -0.098 0.000 0.952 533 V CB 1.902 33.710 31.823 -0.026 0.000 1.019 533 V HN 0.449 nan 8.190 nan 0.000 0.445 534 K N 2.524 122.864 120.400 -0.100 0.000 2.402 534 K HA 0.096 4.416 4.320 -0.001 0.000 0.285 534 K C -0.492 176.035 176.600 -0.121 0.000 1.054 534 K CA 0.251 56.486 56.287 -0.088 0.000 1.001 534 K CB -0.396 32.069 32.500 -0.059 0.000 0.946 534 K HN 0.621 nan 8.250 nan 0.000 0.473 535 D N 2.198 122.516 120.400 -0.138 0.000 2.424 535 D HA 0.250 4.889 4.640 -0.001 0.000 0.244 535 D C -0.340 175.934 176.300 -0.044 0.000 1.134 535 D CA 0.616 54.484 54.000 -0.219 0.000 0.881 535 D CB 0.736 41.433 40.800 -0.172 0.000 1.191 535 D HN 0.647 nan 8.370 nan 0.000 0.445 536 S N 0.590 116.315 115.700 0.043 0.000 2.663 536 S HA 0.233 4.702 4.470 -0.001 0.000 0.264 536 S C -0.938 173.892 174.600 0.383 0.000 1.112 536 S CA -1.100 57.217 58.200 0.195 0.000 0.823 536 S CB 0.032 63.279 63.200 0.078 0.000 1.111 536 S HN 0.495 nan 8.310 nan 0.000 0.476 537 C N 1.945 121.395 119.300 0.250 0.000 2.662 537 C HA 0.374 4.834 4.460 -0.001 0.000 0.420 537 C C 2.434 177.543 174.990 0.199 0.000 1.314 537 C CA -0.061 59.087 59.018 0.218 0.000 1.963 537 C CB -0.008 27.784 27.740 0.086 0.000 2.686 537 C HN 0.665 nan 8.230 nan 0.000 0.609 538 V N 4.216 124.270 119.914 0.233 0.000 2.219 538 V HA -0.105 4.014 4.120 -0.001 0.000 0.248 538 V C 1.945 178.098 176.094 0.099 0.000 1.053 538 V CA 2.530 64.929 62.300 0.164 0.000 1.009 538 V CB -1.316 30.608 31.823 0.168 0.000 0.636 538 V HN 1.116 nan 8.190 nan 0.000 0.445 539 G N -0.689 108.159 108.800 0.079 0.000 2.803 539 G HA2 0.401 4.361 3.960 -0.001 0.000 0.177 539 G HA3 0.401 4.361 3.960 -0.001 0.000 0.177 539 G C -0.147 174.781 174.900 0.047 0.000 1.629 539 G CA 0.632 45.765 45.100 0.055 0.000 1.077 539 G HN 0.758 nan 8.290 nan 0.000 0.556 540 S N -2.167 113.553 115.700 0.034 0.000 2.588 540 S HA 0.632 5.102 4.470 -0.001 0.000 0.269 540 S C -1.537 173.071 174.600 0.015 0.000 1.157 540 S CA -0.678 57.538 58.200 0.026 0.000 0.824 540 S CB 2.072 65.288 63.200 0.026 0.000 1.126 540 S HN 1.260 nan 8.310 nan 0.000 0.464 541 L N 1.007 122.235 121.223 0.008 0.000 2.849 541 L HA 0.628 4.967 4.340 -0.001 0.000 0.256 541 L C -2.076 174.795 176.870 0.001 0.000 0.951 541 L CA -0.074 54.767 54.840 0.002 0.000 1.003 541 L CB 1.379 43.432 42.059 -0.010 0.000 1.408 541 L HN 0.753 nan 8.230 nan 0.000 0.463 542 V N 4.917 124.834 119.914 0.006 0.000 2.604 542 V HA 0.674 4.794 4.120 -0.001 0.000 0.305 542 V C -0.499 175.600 176.094 0.008 0.000 1.043 542 V CA -0.777 61.526 62.300 0.006 0.000 0.888 542 V CB 2.210 34.038 31.823 0.009 0.000 0.995 542 V HN 0.404 nan 8.190 nan 0.000 0.429 543 V N 5.468 125.387 119.914 0.008 0.000 2.398 543 V HA 0.651 4.770 4.120 -0.001 0.000 0.286 543 V C -0.082 176.020 176.094 0.013 0.000 1.026 543 V CA -0.513 61.793 62.300 0.011 0.000 0.868 543 V CB 1.568 33.399 31.823 0.014 0.000 0.982 543 V HN 1.064 nan 8.190 nan 0.000 0.443 544 K N 2.018 122.426 120.400 0.013 0.000 2.499 544 K HA 0.703 5.022 4.320 -0.001 0.000 0.277 544 K C -0.537 176.071 176.600 0.014 0.000 1.025 544 K CA -0.677 55.619 56.287 0.014 0.000 0.900 544 K CB 1.718 34.226 32.500 0.012 0.000 1.494 544 K HN 0.413 nan 8.250 nan 0.000 0.442 545 S N -0.870 114.839 115.700 0.014 0.000 2.564 545 S HA 0.279 4.749 4.470 -0.001 0.000 0.278 545 S C 0.787 175.394 174.600 0.011 0.000 1.333 545 S CA 0.162 58.370 58.200 0.013 0.000 1.048 545 S CB 0.418 63.627 63.200 0.014 0.000 0.900 545 S HN 0.730 nan 8.310 nan 0.000 0.505 546 G N 3.111 111.918 108.800 0.010 0.000 2.556 546 G HA2 0.104 4.063 3.960 -0.001 0.000 0.209 546 G HA3 0.104 4.063 3.960 -0.001 0.000 0.209 546 G C 0.666 175.570 174.900 0.008 0.000 1.159 546 G CA -0.003 45.102 45.100 0.009 0.000 0.828 546 G HN 0.689 nan 8.290 nan 0.000 0.553 547 Q N 0.714 120.519 119.800 0.008 0.000 2.700 547 Q HA 0.266 4.605 4.340 -0.001 0.000 0.191 547 Q C 0.974 176.978 176.000 0.008 0.000 1.134 547 Q CA 0.068 55.876 55.803 0.007 0.000 1.193 547 Q CB 0.348 29.090 28.738 0.007 0.000 1.250 547 Q HN 0.395 nan 8.270 nan 0.000 0.670 548 S N -0.251 115.453 115.700 0.007 0.000 2.558 548 S HA -0.076 4.393 4.470 -0.001 0.000 0.287 548 S C 0.630 175.236 174.600 0.009 0.000 1.321 548 S CA -0.111 58.093 58.200 0.007 0.000 1.048 548 S CB 0.698 63.901 63.200 0.006 0.000 0.844 548 S HN 0.524 nan 8.310 nan 0.000 0.512 549 E N 1.099 121.305 120.200 0.009 0.000 2.077 549 E HA 0.010 4.359 4.350 -0.001 0.000 0.193 549 E C -0.199 176.408 176.600 0.012 0.000 0.989 549 E CA 1.403 57.810 56.400 0.011 0.000 0.800 549 E CB 0.049 29.755 29.700 0.011 0.000 0.746 549 E HN 0.702 nan 8.360 nan 0.000 0.452 550 D N -0.936 119.471 120.400 0.011 0.000 2.446 550 D HA 0.304 4.943 4.640 -0.001 0.000 0.251 550 D C 0.187 176.493 176.300 0.010 0.000 1.137 550 D CA -0.069 53.938 54.000 0.012 0.000 0.890 550 D CB 1.077 41.884 40.800 0.012 0.000 1.071 550 D HN -0.044 nan 8.370 nan 0.000 0.528 551 R N 1.555 122.062 120.500 0.011 0.000 2.834 551 R HA 0.059 4.399 4.340 -0.001 0.000 0.129 551 R C -0.798 175.507 176.300 0.008 0.000 0.870 551 R CA 0.006 56.110 56.100 0.008 0.000 1.989 551 R CB 0.620 30.923 30.300 0.005 0.000 1.647 551 R HN 0.393 nan 8.270 nan 0.000 0.512 552 Q N 1.268 121.075 119.800 0.012 0.000 2.554 552 Q HA -0.062 4.278 4.340 -0.001 0.000 0.224 552 Q C -2.643 173.361 176.000 0.007 0.000 1.291 552 Q CA -0.258 55.553 55.803 0.014 0.000 0.526 552 Q CB -0.086 28.663 28.738 0.018 0.000 0.663 552 Q HN 0.203 nan 8.270 nan 0.000 0.319 553 P HA 0.316 nan 4.420 nan 0.000 0.274 553 P C -0.931 176.365 177.300 -0.006 0.000 1.260 553 P CA -0.601 62.500 63.100 0.002 0.000 0.793 553 P CB 0.642 32.346 31.700 0.007 0.000 1.048 554 V N 0.760 120.668 119.914 -0.010 0.000 2.864 554 V HA 0.381 4.500 4.120 -0.001 0.000 0.314 554 V C -2.260 173.824 176.094 -0.016 0.000 1.073 554 V CA -2.130 60.158 62.300 -0.020 0.000 0.956 554 V CB 1.620 33.430 31.823 -0.022 0.000 1.023 554 V HN 0.533 nan 8.190 nan 0.000 0.435 555 P HA 0.212 nan 4.420 nan 0.000 0.263 555 P C 0.837 178.129 177.300 -0.013 0.000 1.175 555 P CA 1.583 64.673 63.100 -0.016 0.000 0.761 555 P CB 0.405 32.091 31.700 -0.024 0.000 0.794 556 G N 1.279 110.074 108.800 -0.009 0.000 2.320 556 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.242 556 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.242 556 G C 0.407 175.303 174.900 -0.006 0.000 1.033 556 G CA 0.230 45.325 45.100 -0.008 0.000 0.620 556 G HN 0.727 nan 8.290 nan 0.000 0.517 557 Q N 0.995 120.792 119.800 -0.006 0.000 2.386 557 Q HA 0.308 4.647 4.340 -0.001 0.000 0.282 557 Q C 0.361 176.360 176.000 -0.001 0.000 1.050 557 Q CA 0.104 55.904 55.803 -0.004 0.000 0.918 557 Q CB 0.243 28.979 28.738 -0.004 0.000 1.266 557 Q HN 0.547 nan 8.270 nan 0.000 0.423 558 Q N 2.672 122.472 119.800 -0.001 0.000 2.352 558 Q HA 0.280 4.619 4.340 -0.001 0.000 0.260 558 Q C -0.386 175.616 176.000 0.002 0.000 0.976 558 Q CA 0.268 56.071 55.803 0.001 0.000 0.881 558 Q CB 0.908 29.646 28.738 0.000 0.000 1.235 558 Q HN 0.633 nan 8.270 nan 0.000 0.419 559 M N -0.140 119.462 119.600 0.004 0.000 2.575 559 M HA 0.518 4.997 4.480 -0.001 0.000 0.284 559 M C -1.266 175.038 176.300 0.006 0.000 1.253 559 M CA -0.728 54.575 55.300 0.006 0.000 0.861 559 M CB 2.400 35.005 32.600 0.008 0.000 1.733 559 M HN 0.230 nan 8.290 nan 0.000 0.462 560 T N 2.697 117.255 114.554 0.007 0.000 2.837 560 T HA 0.628 4.977 4.350 -0.001 0.000 0.285 560 T C -1.040 173.665 174.700 0.009 0.000 0.984 560 T CA -0.433 61.672 62.100 0.007 0.000 1.049 560 T CB 1.067 69.939 68.868 0.006 0.000 0.947 560 T HN 0.513 nan 8.240 nan 0.000 0.472 561 L N 3.827 125.055 121.223 0.009 0.000 2.298 561 L HA 0.425 4.765 4.340 -0.001 0.000 0.284 561 L C -0.046 176.830 176.870 0.009 0.000 1.013 561 L CA -0.260 54.586 54.840 0.011 0.000 0.824 561 L CB 0.992 43.058 42.059 0.012 0.000 1.221 561 L HN 0.462 nan 8.230 nan 0.000 0.418 562 K N 5.641 126.047 120.400 0.010 0.000 2.285 562 K HA 0.460 4.779 4.320 -0.001 0.000 0.286 562 K C -0.774 175.831 176.600 0.010 0.000 1.072 562 K CA -0.027 56.265 56.287 0.009 0.000 0.913 562 K CB 0.637 33.143 32.500 0.010 0.000 1.067 562 K HN 0.515 nan 8.250 nan 0.000 0.479 563 I N 4.044 124.619 120.570 0.008 0.000 2.337 563 I HA 0.127 4.297 4.170 -0.001 0.000 0.285 563 I C -0.224 175.898 176.117 0.008 0.000 1.041 563 I CA -0.444 60.860 61.300 0.008 0.000 1.199 563 I CB 1.065 39.069 38.000 0.006 0.000 1.370 563 I HN 0.452 nan 8.210 nan 0.000 0.470 564 E N 4.821 125.027 120.200 0.010 0.000 2.167 564 E HA 0.636 4.985 4.350 -0.001 0.000 0.284 564 E C 0.234 176.842 176.600 0.013 0.000 1.016 564 E CA -0.344 56.063 56.400 0.013 0.000 0.817 564 E CB 1.919 31.628 29.700 0.014 0.000 1.080 564 E HN 0.787 nan 8.360 nan 0.000 0.397 565 G N 2.556 111.366 108.800 0.016 0.000 2.634 565 G HA2 0.121 4.080 3.960 -0.001 0.000 0.309 565 G HA3 0.121 4.080 3.960 -0.001 0.000 0.309 565 G C -1.315 173.603 174.900 0.030 0.000 1.299 565 G CA -0.770 44.341 45.100 0.018 0.000 0.798 565 G HN 0.390 nan 8.290 nan 0.000 0.490 566 D N 0.245 120.665 120.400 0.033 0.000 2.341 566 D HA 0.285 4.924 4.640 -0.001 0.000 0.245 566 D C 0.056 176.398 176.300 0.069 0.000 1.106 566 D CA 0.187 54.222 54.000 0.058 0.000 0.905 566 D CB 1.396 42.229 40.800 0.054 0.000 1.202 566 D HN 0.408 nan 8.370 nan 0.000 0.426 567 H N -0.344 118.735 119.070 0.014 0.000 2.871 567 H HA 0.226 4.781 4.556 -0.001 0.000 0.355 567 H C 1.534 176.871 175.328 0.015 0.000 1.092 567 H CA 1.634 57.690 56.048 0.013 0.000 1.420 567 H CB 0.470 30.239 29.762 0.012 0.000 1.400 567 H HN 0.637 nan 8.280 nan 0.000 0.604 568 G N 2.130 110.746 108.800 -0.307 0.000 2.196 568 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.268 568 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.268 568 G C 0.416 175.292 174.900 -0.040 0.000 0.975 568 G CA 0.460 45.497 45.100 -0.106 0.000 0.648 568 G HN 0.952 nan 8.290 nan 0.000 0.538 569 A N -0.116 122.684 122.820 -0.032 0.000 2.425 569 A HA 0.684 5.003 4.320 -0.001 0.000 0.249 569 A C 0.698 178.276 177.584 -0.010 0.000 1.084 569 A CA 0.637 52.672 52.037 -0.003 0.000 0.781 569 A CB 0.310 19.315 19.000 0.007 0.000 1.019 569 A HN 0.869 nan 8.150 nan 0.000 0.490 570 R N 1.549 122.057 120.500 0.012 0.000 2.410 570 R HA 0.546 4.885 4.340 -0.001 0.000 0.288 570 R C -1.434 174.887 176.300 0.034 0.000 1.051 570 R CA -0.224 55.888 56.100 0.019 0.000 1.021 570 R CB 0.829 31.150 30.300 0.034 0.000 1.032 570 R HN 0.445 nan 8.270 nan 0.000 0.481 571 V N 5.765 125.697 119.914 0.030 0.000 2.483 571 V HA 0.310 4.429 4.120 -0.001 0.000 0.297 571 V C -0.571 175.554 176.094 0.052 0.000 1.027 571 V CA -0.874 61.450 62.300 0.040 0.000 0.855 571 V CB 1.596 33.431 31.823 0.020 0.000 0.995 571 V HN 0.666 nan 8.190 nan 0.000 0.424 572 V N 4.235 124.202 119.914 0.089 0.000 2.398 572 V HA 0.744 4.863 4.120 -0.001 0.000 0.286 572 V C -0.519 175.625 176.094 0.083 0.000 1.026 572 V CA -0.461 61.891 62.300 0.087 0.000 0.868 572 V CB 1.317 33.211 31.823 0.118 0.000 0.982 572 V HN 0.661 nan 8.190 nan 0.000 0.443 573 L N 4.836 126.092 121.223 0.056 0.000 2.313 573 L HA 0.925 5.264 4.340 -0.001 0.000 0.268 573 L C -0.456 176.446 176.870 0.053 0.000 1.010 573 L CA -1.039 53.831 54.840 0.050 0.000 0.814 573 L CB 2.162 44.241 42.059 0.034 0.000 1.304 573 L HN 0.680 nan 8.230 nan 0.000 0.441 574 V N 0.720 120.668 119.914 0.056 0.000 2.950 574 V HA 0.761 4.881 4.120 -0.001 0.000 0.295 574 V C -1.465 174.666 176.094 0.062 0.000 1.297 574 V CA -0.263 62.072 62.300 0.060 0.000 0.962 574 V CB 2.014 33.885 31.823 0.079 0.000 1.081 574 V HN 0.832 nan 8.190 nan 0.000 0.432 575 A N 5.750 128.601 122.820 0.050 0.000 2.304 575 A HA 0.924 5.243 4.320 -0.001 0.000 0.323 575 A C -1.062 176.545 177.584 0.038 0.000 1.195 575 A CA -0.518 51.547 52.037 0.047 0.000 0.826 575 A CB 1.676 20.695 19.000 0.031 0.000 1.184 575 A HN 1.362 nan 8.150 nan 0.000 0.496 576 V N 2.369 122.310 119.914 0.044 0.000 2.709 576 V HA 0.274 4.394 4.120 -0.001 0.000 0.308 576 V C -0.661 175.375 176.094 -0.097 0.000 1.062 576 V CA -0.860 61.422 62.300 -0.029 0.000 0.901 576 V CB 2.003 33.837 31.823 0.018 0.000 1.003 576 V HN 0.963 nan 8.190 nan 0.000 0.425 577 D N 3.181 123.481 120.400 -0.168 0.000 2.371 577 D HA 0.112 4.752 4.640 -0.001 0.000 0.256 577 D C 1.053 177.163 176.300 -0.316 0.000 1.193 577 D CA 0.147 54.052 54.000 -0.160 0.000 0.881 577 D CB 1.216 41.946 40.800 -0.118 0.000 1.143 577 D HN 0.494 nan 8.370 nan 0.000 0.473 578 K N 2.263 122.562 120.400 -0.169 0.000 2.360 578 K HA -0.083 4.236 4.320 -0.001 0.000 0.201 578 K C 1.788 178.278 176.600 -0.184 0.000 1.046 578 K CA 0.726 56.934 56.287 -0.132 0.000 0.945 578 K CB 0.056 32.608 32.500 0.088 0.000 0.750 578 K HN 0.542 nan 8.250 nan 0.000 0.464 579 G N 0.990 109.686 108.800 -0.173 0.000 2.450 579 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.220 579 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.220 579 G C 1.480 176.228 174.900 -0.254 0.000 1.130 579 G CA 0.540 45.543 45.100 -0.162 0.000 0.760 579 G HN 0.109 nan 8.290 nan 0.000 0.557 580 V N 0.486 120.147 119.914 -0.421 0.000 2.469 580 V HA -0.147 3.972 4.120 -0.001 0.000 0.251 580 V C 2.337 178.189 176.094 -0.402 0.000 1.064 580 V CA 1.440 63.439 62.300 -0.503 0.000 1.066 580 V CB -0.591 30.827 31.823 -0.675 0.000 0.667 580 V HN 0.353 nan 8.190 nan 0.000 0.461 581 F N -0.955 118.934 119.950 -0.103 0.000 2.743 581 F HA 0.107 4.633 4.527 -0.001 0.000 0.297 581 F C 2.092 177.833 175.800 -0.098 0.000 1.131 581 F CA -0.138 57.808 58.000 -0.090 0.000 1.426 581 F CB -1.205 37.760 39.000 -0.058 0.000 1.116 581 F HN -0.048 nan 8.300 nan 0.000 0.583 582 V N -0.280 119.636 119.914 0.003 0.000 2.490 582 V HA -0.237 3.882 4.120 -0.001 0.000 0.250 582 V C 2.217 178.254 176.094 -0.095 0.000 1.061 582 V CA 1.331 63.592 62.300 -0.064 0.000 1.064 582 V CB -0.481 31.259 31.823 -0.139 0.000 0.670 582 V HN 0.208 nan 8.190 nan 0.000 0.461 583 L N -0.546 120.597 121.223 -0.133 0.000 2.202 583 L HA 0.260 4.600 4.340 -0.001 0.000 0.205 583 L C 0.914 177.718 176.870 -0.110 0.000 1.083 583 L CA 1.219 55.955 54.840 -0.173 0.000 0.790 583 L CB -0.281 41.574 42.059 -0.340 0.000 0.942 583 L HN 0.435 nan 8.230 nan 0.000 0.452 584 N N -0.067 118.603 118.700 -0.050 0.000 2.697 584 N HA 0.080 4.820 4.740 -0.001 0.000 0.271 584 N C -0.952 174.625 175.510 0.112 0.000 1.149 584 N CA -0.109 52.946 53.050 0.009 0.000 0.939 584 N CB 1.078 39.555 38.487 -0.017 0.000 1.534 584 N HN 0.190 nan 8.380 nan 0.000 0.556 585 K N 1.791 122.234 120.400 0.071 0.000 3.010 585 K HA 0.391 4.710 4.320 -0.001 0.000 0.211 585 K C -0.484 176.102 176.600 -0.022 0.000 1.146 585 K CA -0.479 55.824 56.287 0.026 0.000 1.070 585 K CB 0.474 32.964 32.500 -0.017 0.000 0.908 585 K HN 0.199 nan 8.250 nan 0.000 0.463 586 K N 0.727 121.141 120.400 0.022 0.000 2.281 586 K HA 0.293 4.613 4.320 -0.001 0.000 0.242 586 K C -0.482 176.146 176.600 0.046 0.000 0.971 586 K CA -1.014 55.288 56.287 0.024 0.000 0.834 586 K CB 1.262 33.785 32.500 0.040 0.000 1.181 586 K HN 0.218 nan 8.250 nan 0.000 0.435 587 N N 0.342 119.069 118.700 0.046 0.000 2.753 587 N HA -0.186 4.553 4.740 -0.001 0.000 0.251 587 N C -1.201 174.346 175.510 0.062 0.000 1.097 587 N CA 0.871 53.965 53.050 0.073 0.000 0.786 587 N CB -0.803 37.759 38.487 0.124 0.000 1.137 587 N HN 0.400 nan 8.380 nan 0.000 0.566 588 K N 0.662 121.066 120.400 0.007 0.000 2.298 588 K HA 0.196 4.515 4.320 -0.001 0.000 0.280 588 K C 0.014 176.597 176.600 -0.029 0.000 1.032 588 K CA -0.666 55.609 56.287 -0.020 0.000 0.958 588 K CB 0.844 33.272 32.500 -0.120 0.000 0.978 588 K HN 0.034 nan 8.250 nan 0.000 0.472 589 L N 2.976 124.189 121.223 -0.017 0.000 2.410 589 L HA 0.116 4.455 4.340 -0.001 0.000 0.273 589 L C -0.501 176.295 176.870 -0.124 0.000 1.144 589 L CA 0.974 55.773 54.840 -0.069 0.000 0.863 589 L CB 0.597 42.630 42.059 -0.043 0.000 1.140 589 L HN 0.573 nan 8.230 nan 0.000 0.463 590 T N 3.346 117.799 114.554 -0.169 0.000 2.916 590 T HA 0.225 4.575 4.350 -0.001 0.000 0.292 590 T C 0.446 174.993 174.700 -0.255 0.000 1.055 590 T CA -0.293 61.705 62.100 -0.169 0.000 1.009 590 T CB 1.764 70.564 68.868 -0.113 0.000 1.118 590 T HN 0.566 nan 8.240 nan 0.000 0.497 591 Q N 1.569 121.234 119.800 -0.224 0.000 2.079 591 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 591 Q C 2.351 178.207 176.000 -0.240 0.000 0.974 591 Q CA 2.319 57.941 55.803 -0.302 0.000 0.840 591 Q CB -0.491 28.144 28.738 -0.172 0.000 0.898 591 Q HN 0.771 nan 8.270 nan 0.000 0.430 592 S N -0.202 115.464 115.700 -0.057 0.000 2.382 592 S HA -0.167 4.303 4.470 -0.001 0.000 0.228 592 S C 1.756 176.356 174.600 -0.000 0.000 1.027 592 S CA 1.185 59.421 58.200 0.060 0.000 0.991 592 S CB -0.335 62.900 63.200 0.059 0.000 0.823 592 S HN 0.370 nan 8.310 nan 0.000 0.469 593 K N 0.793 121.140 120.400 -0.089 0.000 2.209 593 K HA 0.104 4.423 4.320 -0.001 0.000 0.204 593 K C 2.009 178.497 176.600 -0.186 0.000 1.048 593 K CA 1.320 57.550 56.287 -0.095 0.000 0.940 593 K CB -0.393 32.045 32.500 -0.103 0.000 0.729 593 K HN 0.468 nan 8.250 nan 0.000 0.451 594 I N -0.670 119.657 120.570 -0.405 0.000 2.233 594 I HA -0.237 3.932 4.170 -0.001 0.000 0.243 594 I C 2.032 177.935 176.117 -0.357 0.000 1.093 594 I CA 1.373 62.277 61.300 -0.659 0.000 1.380 594 I CB -0.260 37.099 38.000 -1.070 0.000 1.067 594 I HN 0.273 nan 8.210 nan 0.000 0.413 595 W N 1.263 122.481 121.300 -0.137 0.000 2.355 595 W HA -0.252 4.407 4.660 -0.001 0.000 0.309 595 W C 2.310 178.823 176.519 -0.009 0.000 1.206 595 W CA 1.010 58.323 57.345 -0.053 0.000 1.284 595 W CB -0.506 28.939 29.460 -0.026 0.000 1.145 595 W HN 0.177 nan 8.180 nan 0.000 0.502 596 D N 0.074 120.609 120.400 0.226 0.000 2.191 596 D HA -0.228 4.411 4.640 -0.001 0.000 0.195 596 D C 1.901 178.286 176.300 0.142 0.000 1.003 596 D CA 1.844 55.935 54.000 0.151 0.000 0.867 596 D CB -0.177 40.681 40.800 0.096 0.000 0.926 596 D HN -0.075 nan 8.370 nan 0.000 0.450 597 V N -0.796 119.189 119.914 0.119 0.000 2.407 597 V HA -0.144 3.976 4.120 -0.001 0.000 0.245 597 V C 2.476 178.665 176.094 0.158 0.000 1.041 597 V CA 0.939 63.332 62.300 0.154 0.000 1.040 597 V CB -0.024 31.919 31.823 0.200 0.000 0.671 597 V HN 0.157 nan 8.190 nan 0.000 0.455 598 V N -0.021 119.952 119.914 0.098 0.000 2.324 598 V HA -0.264 3.856 4.120 -0.001 0.000 0.250 598 V C 2.573 178.834 176.094 0.278 0.000 1.060 598 V CA 2.076 64.478 62.300 0.169 0.000 1.042 598 V CB -0.569 31.438 31.823 0.307 0.000 0.650 598 V HN 0.589 nan 8.190 nan 0.000 0.450 599 E N -0.074 120.278 120.200 0.253 0.000 2.150 599 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 599 E C 2.222 178.928 176.600 0.177 0.000 0.985 599 E CA 0.967 57.497 56.400 0.215 0.000 0.814 599 E CB -0.165 29.649 29.700 0.189 0.000 0.752 599 E HN 0.607 nan 8.360 nan 0.000 0.466 600 K N 0.338 120.842 120.400 0.174 0.000 2.288 600 K HA 0.015 4.334 4.320 -0.001 0.000 0.201 600 K C 1.659 178.362 176.600 0.171 0.000 1.048 600 K CA 0.812 57.189 56.287 0.149 0.000 0.956 600 K CB 0.156 32.742 32.500 0.143 0.000 0.746 600 K HN -0.035 nan 8.250 nan 0.000 0.461 601 A N 1.307 124.270 122.820 0.239 0.000 2.337 601 A HA 0.010 4.329 4.320 -0.001 0.000 0.227 601 A C -0.171 177.531 177.584 0.197 0.000 1.259 601 A CA -0.176 52.011 52.037 0.251 0.000 0.870 601 A CB -0.137 19.118 19.000 0.425 0.000 0.927 601 A HN 0.129 nan 8.150 nan 0.000 0.497 602 D N 0.333 120.840 120.400 0.178 0.000 2.350 602 D HA 0.262 4.901 4.640 -0.001 0.000 0.249 602 D C 1.097 177.461 176.300 0.106 0.000 1.119 602 D CA -0.163 53.927 54.000 0.150 0.000 0.886 602 D CB 0.537 41.437 40.800 0.166 0.000 1.195 602 D HN 0.365 nan 8.370 nan 0.000 0.437 603 I N 0.568 121.192 120.570 0.091 0.000 3.858 603 I HA 0.438 4.608 4.170 -0.001 0.000 0.325 603 I C 0.533 176.699 176.117 0.081 0.000 1.403 603 I CA -0.586 60.757 61.300 0.072 0.000 1.169 603 I CB -0.017 38.014 38.000 0.053 0.000 1.077 603 I HN 0.184 nan 8.210 nan 0.000 0.403 604 G N -0.208 108.645 108.800 0.090 0.000 2.417 604 G HA2 0.502 4.462 3.960 -0.001 0.000 0.334 604 G HA3 0.502 4.462 3.960 -0.001 0.000 0.334 604 G C -0.112 174.819 174.900 0.051 0.000 1.150 604 G CA -0.374 44.777 45.100 0.086 0.000 0.923 604 G HN 0.377 nan 8.290 nan 0.000 0.485 605 c N -0.983 117.642 118.600 0.042 0.000 2.726 605 c HA 0.310 4.879 4.570 -0.001 0.000 0.380 605 c C 1.197 175.287 174.090 -0.000 0.000 1.691 605 c CA 0.209 56.550 56.329 0.019 0.000 2.388 605 c CB -0.119 42.418 42.510 0.045 0.000 2.227 605 c HN 0.619 nan 8.230 nan 0.000 0.647 606 T N 4.607 119.192 114.554 0.052 0.000 2.870 606 T HA 0.179 4.528 4.350 -0.001 0.000 0.300 606 T C -2.094 172.620 174.700 0.023 0.000 0.989 606 T CA 0.093 62.238 62.100 0.074 0.000 1.139 606 T CB 0.541 69.527 68.868 0.197 0.000 0.920 606 T HN 0.360 nan 8.240 nan 0.000 0.537 607 P HA 0.299 nan 4.420 nan 0.000 0.226 607 P C 0.177 177.548 177.300 0.118 0.000 1.758 607 P CA -0.030 63.029 63.100 -0.068 0.000 0.896 607 P CB -0.467 31.085 31.700 -0.247 0.000 1.784 608 G N -1.325 107.560 108.800 0.143 0.000 2.653 608 G HA2 0.242 4.201 3.960 -0.001 0.000 0.656 608 G HA3 0.242 4.201 3.960 -0.001 0.000 0.656 608 G C -0.646 174.375 174.900 0.202 0.000 1.419 608 G CA -0.226 44.966 45.100 0.154 0.000 0.862 608 G HN 0.287 nan 8.290 nan 0.000 0.639 609 S N -1.290 114.495 115.700 0.141 0.000 3.918 609 S HA 0.441 4.910 4.470 -0.001 0.000 0.653 609 S C 0.835 175.462 174.600 0.045 0.000 1.661 609 S CA 1.457 59.742 58.200 0.143 0.000 1.805 609 S CB -0.885 62.482 63.200 0.278 0.000 0.331 609 S HN 2.906 nan 8.310 nan 0.000 1.611 610 G N 0.255 108.942 108.800 -0.188 0.000 2.600 610 G HA2 0.560 4.519 3.960 -0.001 0.000 0.293 610 G HA3 0.560 4.519 3.960 -0.001 0.000 0.293 610 G C -0.031 174.295 174.900 -0.956 0.000 1.408 610 G CA 0.192 44.819 45.100 -0.788 0.000 0.782 610 G HN 0.974 nan 8.290 nan 0.000 0.482 611 K N -1.179 118.635 120.400 -0.977 0.000 2.365 611 K HA 0.197 4.516 4.320 -0.001 0.000 0.197 611 K C 0.157 176.460 176.600 -0.494 0.000 1.042 611 K CA 1.396 57.391 56.287 -0.488 0.000 0.987 611 K CB 0.030 32.389 32.500 -0.235 0.000 0.779 611 K HN 0.538 nan 8.250 nan 0.000 0.484 612 D N -0.926 119.149 120.400 -0.542 0.000 2.779 612 D HA -0.086 4.553 4.640 -0.001 0.000 0.331 612 D C 0.729 176.817 176.300 -0.353 0.000 1.331 612 D CA -0.723 52.807 54.000 -0.785 0.000 0.866 612 D CB -0.116 40.347 40.800 -0.562 0.000 1.409 612 D HN 0.002 nan 8.370 nan 0.000 0.486 613 Y N -0.338 119.843 120.300 -0.198 0.000 2.165 613 Y HA 0.061 4.610 4.550 -0.001 0.000 0.286 613 Y C 2.226 178.196 175.900 0.116 0.000 1.155 613 Y CA 2.031 60.169 58.100 0.064 0.000 1.164 613 Y CB -1.157 37.299 38.460 -0.007 0.000 0.978 613 Y HN 0.422 nan 8.280 nan 0.000 0.513 614 A N 1.456 123.810 122.820 -0.777 0.000 1.877 614 A HA -0.029 4.291 4.320 -0.001 0.000 0.216 614 A C 2.537 180.058 177.584 -0.105 0.000 1.186 614 A CA 1.769 53.547 52.037 -0.431 0.000 0.620 614 A CB -1.695 16.946 19.000 -0.598 0.000 0.822 614 A HN 0.647 nan 8.150 nan 0.000 0.443 615 G N -0.530 108.162 108.800 -0.179 0.000 2.440 615 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.218 615 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.218 615 G C 1.498 176.369 174.900 -0.048 0.000 1.154 615 G CA 1.256 46.281 45.100 -0.127 0.000 0.767 615 G HN 0.326 nan 8.290 nan 0.000 0.552 616 V N 0.234 120.139 119.914 -0.016 0.000 2.407 616 V HA -0.144 3.975 4.120 -0.001 0.000 0.248 616 V C 2.492 178.548 176.094 -0.065 0.000 1.055 616 V CA 1.660 63.936 62.300 -0.039 0.000 1.049 616 V CB -0.575 31.221 31.823 -0.046 0.000 0.662 616 V HN 0.358 nan 8.190 nan 0.000 0.455 617 F N 0.186 120.144 119.950 0.013 0.000 2.098 617 F HA -0.117 4.409 4.527 -0.001 0.000 0.294 617 F C 2.724 178.557 175.800 0.055 0.000 1.107 617 F CA 1.778 59.807 58.000 0.050 0.000 1.234 617 F CB -0.709 38.329 39.000 0.062 0.000 1.002 617 F HN -0.010 nan 8.300 nan 0.000 0.472 618 S N -0.140 115.694 115.700 0.224 0.000 2.356 618 S HA -0.190 4.280 4.470 -0.001 0.000 0.223 618 S C 1.556 176.220 174.600 0.107 0.000 1.032 618 S CA 1.568 59.851 58.200 0.139 0.000 1.005 618 S CB -0.412 62.839 63.200 0.085 0.000 0.867 618 S HN 0.308 nan 8.310 nan 0.000 0.449 619 D N 1.575 122.025 120.400 0.082 0.000 2.218 619 D HA 0.013 4.652 4.640 -0.001 0.000 0.204 619 D C 1.622 177.975 176.300 0.088 0.000 0.976 619 D CA 0.952 55.001 54.000 0.081 0.000 0.853 619 D CB -0.248 40.599 40.800 0.079 0.000 0.939 619 D HN 0.416 nan 8.370 nan 0.000 0.481 620 A N -0.344 122.530 122.820 0.090 0.000 2.251 620 A HA 0.443 4.762 4.320 -0.001 0.000 0.209 620 A C 1.525 179.184 177.584 0.125 0.000 1.187 620 A CA 0.736 52.833 52.037 0.101 0.000 0.823 620 A CB -0.186 18.855 19.000 0.068 0.000 0.846 620 A HN 0.196 nan 8.150 nan 0.000 0.486 621 G N -0.746 108.130 108.800 0.126 0.000 2.248 621 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.263 621 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.263 621 G C -0.305 174.686 174.900 0.151 0.000 1.082 621 G CA 0.377 45.552 45.100 0.124 0.000 0.863 621 G HN 0.503 nan 8.290 nan 0.000 0.495 622 L N 0.076 121.419 121.223 0.201 0.000 2.409 622 L HA 0.724 5.063 4.340 -0.001 0.000 0.262 622 L C 0.615 177.633 176.870 0.248 0.000 0.992 622 L CA -0.609 54.385 54.840 0.256 0.000 0.817 622 L CB 2.522 44.815 42.059 0.390 0.000 1.350 622 L HN 0.384 nan 8.230 nan 0.000 0.411 623 T N -0.840 113.823 114.554 0.182 0.000 2.799 623 T HA 0.549 4.898 4.350 -0.001 0.000 0.286 623 T C -0.843 173.890 174.700 0.054 0.000 0.973 623 T CA -0.374 61.789 62.100 0.106 0.000 1.035 623 T CB 1.105 70.014 68.868 0.068 0.000 0.932 623 T HN 0.296 nan 8.240 nan 0.000 0.469 624 F N 2.756 122.545 119.950 -0.269 0.000 2.495 624 F HA 0.667 5.194 4.527 -0.001 0.000 0.327 624 F C -0.607 175.052 175.800 -0.236 0.000 1.103 624 F CA -0.321 57.401 58.000 -0.463 0.000 0.949 624 F CB 2.104 40.423 39.000 -1.135 0.000 1.142 624 F HN 0.822 nan 8.300 nan 0.000 0.457 625 T N 3.008 117.063 114.554 -0.831 0.000 3.071 625 T HA 0.487 4.837 4.350 -0.001 0.000 0.311 625 T C -1.012 173.298 174.700 -0.651 0.000 1.042 625 T CA -0.931 60.865 62.100 -0.507 0.000 1.028 625 T CB 1.201 69.935 68.868 -0.223 0.000 1.068 625 T HN 0.653 nan 8.240 nan 0.000 0.451 626 S N 0.695 116.134 115.700 -0.436 0.000 2.600 626 S HA 0.601 5.070 4.470 -0.001 0.000 0.300 626 S C 1.267 175.799 174.600 -0.114 0.000 1.087 626 S CA -0.249 57.774 58.200 -0.296 0.000 0.965 626 S CB 1.757 64.832 63.200 -0.208 0.000 1.089 626 S HN 0.760 nan 8.310 nan 0.000 0.496 627 S N 0.976 116.638 115.700 -0.063 0.000 2.507 627 S HA -0.022 4.448 4.470 -0.001 0.000 0.235 627 S C 1.029 175.629 174.600 -0.000 0.000 0.988 627 S CA 0.662 58.870 58.200 0.013 0.000 0.944 627 S CB -0.703 62.577 63.200 0.133 0.000 0.762 627 S HN 0.680 nan 8.310 nan 0.000 0.526 628 S N 0.458 116.141 115.700 -0.029 0.000 2.557 628 S HA 0.538 5.007 4.470 -0.001 0.000 0.223 628 S C 1.400 175.991 174.600 -0.014 0.000 0.969 628 S CA 0.039 58.224 58.200 -0.024 0.000 0.927 628 S CB 0.306 63.481 63.200 -0.042 0.000 0.806 628 S HN 0.986 nan 8.310 nan 0.000 0.489 629 G N 1.207 109.999 108.800 -0.013 0.000 2.175 629 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 629 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 629 G C -0.199 174.722 174.900 0.034 0.000 0.982 629 G CA -0.498 44.603 45.100 0.002 0.000 0.641 629 G HN 0.471 nan 8.290 nan 0.000 0.527 630 Q N 1.024 120.858 119.800 0.057 0.000 2.293 630 Q HA 0.575 4.914 4.340 -0.001 0.000 0.263 630 Q C 0.466 176.608 176.000 0.237 0.000 1.002 630 Q CA 0.516 56.425 55.803 0.177 0.000 0.910 630 Q CB 0.736 29.539 28.738 0.108 0.000 1.185 630 Q HN 0.827 nan 8.270 nan 0.000 0.401 631 Q N -0.235 119.714 119.800 0.248 0.000 2.575 631 Q HA 0.608 4.947 4.340 -0.001 0.000 0.290 631 Q C -0.951 175.104 176.000 0.091 0.000 0.963 631 Q CA -1.120 54.780 55.803 0.162 0.000 0.783 631 Q CB 0.749 29.495 28.738 0.014 0.000 1.467 631 Q HN 0.521 nan 8.270 nan 0.000 0.402 632 T N -1.093 113.490 114.554 0.048 0.000 2.813 632 T HA 0.575 4.924 4.350 -0.001 0.000 0.297 632 T C 0.679 175.365 174.700 -0.023 0.000 1.036 632 T CA -0.148 61.948 62.100 -0.006 0.000 1.044 632 T CB 0.656 69.545 68.868 0.034 0.000 0.993 632 T HN 0.765 nan 8.240 nan 0.000 0.535 633 A N 1.504 124.301 122.820 -0.038 0.000 2.448 633 A HA 0.249 4.569 4.320 -0.001 0.000 0.239 633 A C 0.719 178.297 177.584 -0.010 0.000 1.080 633 A CA -0.455 51.564 52.037 -0.030 0.000 0.779 633 A CB -0.082 18.899 19.000 -0.033 0.000 1.026 633 A HN 0.812 nan 8.150 nan 0.000 0.499 634 Q N 0.553 120.343 119.800 -0.017 0.000 2.288 634 Q HA 0.159 4.498 4.340 -0.001 0.000 0.258 634 Q C -0.266 175.750 176.000 0.026 0.000 0.957 634 Q CA 0.077 55.873 55.803 -0.012 0.000 0.919 634 Q CB 0.594 29.297 28.738 -0.058 0.000 1.185 634 Q HN 0.672 nan 8.270 nan 0.000 0.408 635 R N 2.393 122.932 120.500 0.065 0.000 2.229 635 R HA 0.455 4.794 4.340 -0.001 0.000 0.328 635 R C -0.099 176.311 176.300 0.184 0.000 1.009 635 R CA 0.255 56.414 56.100 0.099 0.000 0.864 635 R CB 0.688 31.043 30.300 0.092 0.000 1.085 635 R HN 0.683 nan 8.270 nan 0.000 0.453 636 A N 3.764 126.697 122.820 0.187 0.000 2.192 636 A HA 0.107 4.427 4.320 -0.001 0.000 0.208 636 A C 0.316 178.009 177.584 0.181 0.000 1.220 636 A CA -0.014 52.213 52.037 0.317 0.000 0.900 636 A CB 0.265 19.439 19.000 0.289 0.000 0.937 636 A HN 0.671 nan 8.150 nan 0.000 0.487 637 E N -0.107 120.159 120.200 0.109 0.000 2.283 637 E HA 0.488 4.837 4.350 -0.001 0.000 0.278 637 E C 0.657 177.282 176.600 0.042 0.000 1.027 637 E CA -0.182 56.259 56.400 0.068 0.000 0.843 637 E CB 0.830 30.565 29.700 0.060 0.000 1.062 637 E HN 0.311 nan 8.360 nan 0.000 0.401 638 L N 2.136 123.371 121.223 0.020 0.000 2.179 638 L HA 0.008 4.347 4.340 -0.001 0.000 0.208 638 L C 0.945 177.829 176.870 0.022 0.000 1.096 638 L CA 0.561 55.405 54.840 0.006 0.000 0.779 638 L CB -0.075 41.978 42.059 -0.010 0.000 0.922 638 L HN 0.513 nan 8.230 nan 0.000 0.443 639 Q N -1.051 118.767 119.800 0.029 0.000 2.221 639 Q HA 0.261 4.601 4.340 -0.001 0.000 0.242 639 Q C -0.616 175.408 176.000 0.040 0.000 0.940 639 Q CA -0.302 55.523 55.803 0.035 0.000 0.896 639 Q CB 1.547 30.305 28.738 0.033 0.000 1.226 639 Q HN 0.133 nan 8.270 nan 0.000 0.463 640 c N 3.144 121.769 118.600 0.042 0.000 2.656 640 c HA 0.485 5.055 4.570 -0.001 0.000 0.391 640 c C -1.634 172.480 174.090 0.040 0.000 1.300 640 c CA -0.820 55.534 56.329 0.042 0.000 2.302 640 c CB -0.470 42.063 42.510 0.038 0.000 2.655 640 c HN 0.763 nan 8.230 nan 0.000 0.656 641 P HA 0.605 nan 4.420 nan 0.000 0.281 641 P C -1.101 176.221 177.300 0.037 0.000 1.281 641 P CA -0.211 62.913 63.100 0.040 0.000 0.811 641 P CB 0.752 32.478 31.700 0.044 0.000 1.154 642 Q N 0.000 119.821 119.800 0.035 0.000 2.315 642 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 642 Q CA 0.000 55.824 55.803 0.034 0.000 1.022 642 Q CB 0.000 28.758 28.738 0.033 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481