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 3fh8_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKVD 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.123 176.094 0.049 0.000 1.182 4 V CA 0.000 62.324 62.300 0.040 0.000 1.235 4 V CB 0.000 31.848 31.823 0.042 0.000 1.184 5 D N 3.438 123.861 120.400 0.038 0.000 2.393 5 D HA 0.238 4.878 4.640 -0.001 0.000 0.232 5 D C 1.430 177.767 176.300 0.062 0.000 1.192 5 D CA 0.468 54.496 54.000 0.046 0.000 0.882 5 D CB 1.829 42.643 40.800 0.023 0.000 1.038 5 D HN 0.778 nan 8.370 nan 0.000 0.499 6 T N -0.231 114.370 114.554 0.078 0.000 3.160 6 T HA -0.058 4.292 4.350 -0.001 0.000 0.257 6 T C 1.681 176.442 174.700 0.101 0.000 1.147 6 T CA 0.151 62.299 62.100 0.079 0.000 1.064 6 T CB -0.384 68.533 68.868 0.081 0.000 0.949 6 T HN 0.411 nan 8.240 nan 0.000 0.526 7 C N 1.334 120.714 119.300 0.133 0.000 2.696 7 C HA 0.491 4.950 4.460 -0.001 0.000 0.264 7 C C 1.326 176.379 174.990 0.105 0.000 1.288 7 C CA -0.614 58.501 59.018 0.161 0.000 1.717 7 C CB -1.080 26.805 27.740 0.243 0.000 1.893 7 C HN 0.616 nan 8.230 nan 0.000 0.577 8 S N -0.117 115.628 115.700 0.075 0.000 2.503 8 S HA 0.624 5.093 4.470 -0.001 0.000 0.301 8 S C 0.234 174.843 174.600 0.015 0.000 1.087 8 S CA -0.554 57.672 58.200 0.043 0.000 1.042 8 S CB 0.689 63.918 63.200 0.048 0.000 1.043 8 S HN 0.406 nan 8.310 nan 0.000 0.489 9 L N 3.006 124.227 121.223 -0.003 0.000 2.607 9 L HA 0.388 4.727 4.340 -0.001 0.000 0.228 9 L C 1.246 178.114 176.870 -0.004 0.000 1.123 9 L CA -0.184 54.650 54.840 -0.011 0.000 0.890 9 L CB -0.483 41.560 42.059 -0.026 0.000 1.103 9 L HN 0.673 nan 8.230 nan 0.000 0.468 10 A N -0.061 122.759 122.820 0.000 0.000 2.296 10 A HA 0.415 4.734 4.320 -0.001 0.000 0.264 10 A C 0.578 178.165 177.584 0.004 0.000 1.097 10 A CA -0.233 51.804 52.037 -0.000 0.000 0.811 10 A CB 0.312 19.311 19.000 -0.002 0.000 1.072 10 A HN 0.155 nan 8.150 nan 0.000 0.495 11 S N 2.423 118.125 115.700 0.004 0.000 2.552 11 S HA 0.270 4.740 4.470 -0.001 0.000 0.289 11 S C -1.962 172.641 174.600 0.005 0.000 1.304 11 S CA -0.392 57.811 58.200 0.005 0.000 1.063 11 S CB -0.104 63.099 63.200 0.006 0.000 0.848 11 S HN 0.633 nan 8.310 nan 0.000 0.499 12 P HA 0.242 nan 4.420 nan 0.000 0.276 12 P C 0.318 177.620 177.300 0.004 0.000 1.261 12 P CA -0.478 62.626 63.100 0.005 0.000 0.800 12 P CB 0.606 32.310 31.700 0.008 0.000 1.066 13 A N 0.980 123.800 122.820 0.001 0.000 2.070 13 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 13 A C 2.085 179.670 177.584 0.002 0.000 1.159 13 A CA 2.027 54.064 52.037 0.000 0.000 0.656 13 A CB -1.662 17.335 19.000 -0.004 0.000 0.800 13 A HN 0.653 nan 8.150 nan 0.000 0.453 14 S N -1.123 114.579 115.700 0.003 0.000 2.481 14 S HA 0.012 4.482 4.470 -0.001 0.000 0.231 14 S C 1.480 176.083 174.600 0.005 0.000 0.996 14 S CA 1.107 59.310 58.200 0.005 0.000 0.942 14 S CB -0.191 63.012 63.200 0.006 0.000 0.768 14 S HN 0.227 nan 8.310 nan 0.000 0.520 15 V N 0.960 120.877 119.914 0.005 0.000 2.521 15 V HA 0.238 4.358 4.120 -0.001 0.000 0.239 15 V C 1.191 177.289 176.094 0.006 0.000 1.053 15 V CA 0.770 63.074 62.300 0.006 0.000 1.073 15 V CB 0.020 31.847 31.823 0.007 0.000 0.746 15 V HN 0.915 nan 8.190 nan 0.000 0.476 16 C N -0.475 118.828 119.300 0.005 0.000 3.311 16 C HA 0.800 5.259 4.460 -0.001 0.000 0.325 16 C C -0.978 174.015 174.990 0.005 0.000 1.352 16 C CA -1.286 57.736 59.018 0.006 0.000 1.308 16 C CB 1.637 29.381 27.740 0.007 0.000 1.619 16 C HN 0.429 nan 8.230 nan 0.000 0.469 17 R N 0.765 121.269 120.500 0.007 0.000 2.538 17 R HA 0.605 4.945 4.340 -0.001 0.000 0.292 17 R C -0.908 175.399 176.300 0.012 0.000 1.008 17 R CA -0.316 55.788 56.100 0.007 0.000 0.896 17 R CB 2.226 32.530 30.300 0.006 0.000 1.187 17 R HN 0.848 nan 8.270 nan 0.000 0.440 18 T N 3.768 118.329 114.554 0.012 0.000 2.834 18 T HA 0.071 4.420 4.350 -0.001 0.000 0.298 18 T C 0.978 175.698 174.700 0.033 0.000 0.966 18 T CA -0.219 61.893 62.100 0.020 0.000 1.141 18 T CB 0.660 69.531 68.868 0.007 0.000 0.905 18 T HN 0.270 nan 8.240 nan 0.000 0.535 19 K N 1.648 122.081 120.400 0.056 0.000 2.308 19 K HA 0.152 4.472 4.320 -0.001 0.000 0.197 19 K C 0.492 177.179 176.600 0.146 0.000 1.049 19 K CA 0.593 56.925 56.287 0.074 0.000 0.991 19 K CB 0.190 32.726 32.500 0.060 0.000 0.836 19 K HN 0.753 nan 8.250 nan 0.000 0.500 20 H N -1.103 117.988 119.070 0.035 0.000 3.085 20 H HA 0.460 5.016 4.556 -0.001 0.000 0.356 20 H C -1.990 173.387 175.328 0.081 0.000 1.178 20 H CA -0.964 55.122 56.048 0.064 0.000 1.214 20 H CB 1.347 31.140 29.762 0.052 0.000 1.881 20 H HN -0.082 nan 8.280 nan 0.000 0.538 21 L N 4.347 125.364 121.223 -0.343 0.000 2.341 21 L HA 0.403 4.743 4.340 -0.001 0.000 0.278 21 L C -1.391 175.405 176.870 -0.123 0.000 1.005 21 L CA -0.322 54.429 54.840 -0.149 0.000 0.818 21 L CB 1.260 43.241 42.059 -0.131 0.000 1.259 21 L HN 0.822 nan 8.230 nan 0.000 0.418 22 H N 5.708 124.804 119.070 0.043 0.000 2.595 22 H HA 0.413 4.969 4.556 -0.001 0.000 0.313 22 H C -1.625 173.768 175.328 0.108 0.000 1.023 22 H CA -0.903 55.225 56.048 0.132 0.000 1.218 22 H CB 1.676 31.564 29.762 0.210 0.000 1.403 22 H HN 0.646 nan 8.280 nan 0.000 0.477 23 L N 6.400 127.537 121.223 -0.144 0.000 2.272 23 L HA 0.396 4.736 4.340 -0.001 0.000 0.289 23 L C -0.727 176.007 176.870 -0.228 0.000 1.032 23 L CA -0.350 54.417 54.840 -0.121 0.000 0.810 23 L CB 0.873 42.919 42.059 -0.021 0.000 1.205 23 L HN 0.616 nan 8.230 nan 0.000 0.422 24 R N 5.217 125.602 120.500 -0.191 0.000 2.360 24 R HA 0.677 5.016 4.340 -0.001 0.000 0.318 24 R C -1.035 175.227 176.300 -0.063 0.000 0.950 24 R CA -0.536 55.487 56.100 -0.128 0.000 0.837 24 R CB 1.134 31.353 30.300 -0.136 0.000 1.165 24 R HN 0.887 nan 8.270 nan 0.000 0.458 25 C N -0.887 118.397 119.300 -0.026 0.000 3.291 25 C HA 0.798 5.258 4.460 -0.001 0.000 0.316 25 C C -0.443 174.536 174.990 -0.018 0.000 1.391 25 C CA -0.980 58.006 59.018 -0.052 0.000 1.394 25 C CB 1.970 29.693 27.740 -0.028 0.000 1.744 25 C HN 0.660 nan 8.230 nan 0.000 0.461 26 S N 0.102 115.777 115.700 -0.041 0.000 2.521 26 S HA 0.730 5.200 4.470 -0.001 0.000 0.295 26 S C -1.096 173.501 174.600 -0.005 0.000 1.098 26 S CA -0.327 57.869 58.200 -0.006 0.000 0.999 26 S CB 1.335 64.527 63.200 -0.014 0.000 1.034 26 S HN 0.993 nan 8.310 nan 0.000 0.483 27 V N 4.702 124.626 119.914 0.017 0.000 2.348 27 V HA 0.367 4.486 4.120 -0.001 0.000 0.270 27 V C -0.264 175.827 176.094 -0.006 0.000 1.037 27 V CA -0.639 61.653 62.300 -0.015 0.000 0.872 27 V CB 1.215 32.973 31.823 -0.109 0.000 1.002 27 V HN 0.833 nan 8.190 nan 0.000 0.464 28 D N 3.924 124.316 120.400 -0.014 0.000 2.454 28 D HA 0.312 4.952 4.640 -0.001 0.000 0.225 28 D C 0.507 176.738 176.300 -0.115 0.000 1.081 28 D CA -0.418 53.568 54.000 -0.024 0.000 0.864 28 D CB 0.957 41.723 40.800 -0.056 0.000 1.040 28 D HN 0.340 nan 8.370 nan 0.000 0.517 29 F N 1.197 121.207 119.950 0.100 0.000 2.325 29 F HA -0.078 4.448 4.527 -0.001 0.000 0.299 29 F C 2.464 178.215 175.800 -0.081 0.000 1.090 29 F CA 0.725 58.775 58.000 0.084 0.000 1.392 29 F CB -0.036 39.087 39.000 0.204 0.000 1.053 29 F HN 0.309 nan 8.300 nan 0.000 0.521 30 T N -0.343 114.269 114.554 0.097 0.000 2.821 30 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 30 T C 1.894 176.537 174.700 -0.095 0.000 1.046 30 T CA 1.270 63.378 62.100 0.013 0.000 1.139 30 T CB -0.144 68.737 68.868 0.021 0.000 0.871 30 T HN 0.239 nan 8.240 nan 0.000 0.454 31 R N 0.016 120.414 120.500 -0.170 0.000 2.334 31 R HA 0.304 4.644 4.340 -0.001 0.000 0.212 31 R C 0.183 176.218 176.300 -0.442 0.000 0.897 31 R CA -0.182 55.778 56.100 -0.233 0.000 1.056 31 R CB 0.343 30.541 30.300 -0.170 0.000 1.046 31 R HN 0.190 nan 8.270 nan 0.000 0.513 32 R N 1.401 121.443 120.500 -0.764 0.000 3.333 32 R HA -0.136 4.204 4.340 -0.001 0.000 0.256 32 R C -0.685 174.903 176.300 -1.187 0.000 1.010 32 R CA 1.169 56.237 56.100 -1.719 0.000 0.680 32 R CB -2.212 27.223 30.300 -1.441 0.000 1.102 32 R HN 0.384 nan 8.270 nan 0.000 0.440 33 T N -2.535 111.647 114.554 -0.620 0.000 2.900 33 T HA 0.661 5.010 4.350 -0.001 0.000 0.295 33 T C -0.194 174.557 174.700 0.084 0.000 1.044 33 T CA -1.098 60.921 62.100 -0.134 0.000 0.995 33 T CB 2.566 71.357 68.868 -0.128 0.000 1.072 33 T HN 0.228 nan 8.240 nan 0.000 0.473 34 L N 2.056 123.371 121.223 0.154 0.000 2.296 34 L HA 0.709 5.049 4.340 -0.001 0.000 0.286 34 L C -0.818 176.006 176.870 -0.076 0.000 1.023 34 L CA -0.180 54.709 54.840 0.082 0.000 0.812 34 L CB 1.446 43.590 42.059 0.142 0.000 1.223 34 L HN 0.939 nan 8.230 nan 0.000 0.421 35 T N 3.681 118.123 114.554 -0.188 0.000 2.861 35 T HA 0.887 5.237 4.350 -0.001 0.000 0.287 35 T C -0.057 174.368 174.700 -0.458 0.000 1.003 35 T CA -0.197 61.687 62.100 -0.361 0.000 0.977 35 T CB 1.794 70.535 68.868 -0.211 0.000 0.996 35 T HN 0.966 nan 8.240 nan 0.000 0.448 36 G N 1.389 109.744 108.800 -0.741 0.000 2.360 36 G HA2 0.516 4.475 3.960 -0.001 0.000 0.276 36 G HA3 0.516 4.475 3.960 -0.001 0.000 0.276 36 G C -1.144 173.471 174.900 -0.474 0.000 1.256 36 G CA -0.242 44.555 45.100 -0.506 0.000 0.890 36 G HN 0.953 nan 8.290 nan 0.000 0.486 37 T N -2.058 112.415 114.554 -0.134 0.000 2.848 37 T HA 0.790 5.140 4.350 -0.001 0.000 0.285 37 T C -0.302 174.529 174.700 0.218 0.000 0.995 37 T CA 0.245 62.390 62.100 0.075 0.000 0.970 37 T CB 1.819 70.700 68.868 0.021 0.000 0.976 37 T HN 1.962 nan 8.240 nan 0.000 0.441 38 A N 2.380 125.374 122.820 0.289 0.000 2.267 38 A HA 0.793 5.113 4.320 -0.001 0.000 0.315 38 A C 0.363 177.990 177.584 0.070 0.000 1.297 38 A CA -0.896 51.214 52.037 0.122 0.000 0.865 38 A CB 0.034 19.019 19.000 -0.025 0.000 1.165 38 A HN 1.392 nan 8.150 nan 0.000 0.513 39 A N 3.815 126.684 122.820 0.083 0.000 2.294 39 A HA 0.612 4.932 4.320 -0.001 0.000 0.316 39 A C -0.332 177.317 177.584 0.108 0.000 1.359 39 A CA -0.280 51.822 52.037 0.108 0.000 0.956 39 A CB -0.228 18.874 19.000 0.170 0.000 1.155 39 A HN 0.802 nan 8.150 nan 0.000 0.544 40 L N 2.836 124.097 121.223 0.065 0.000 2.264 40 L HA 0.321 4.661 4.340 -0.001 0.000 0.289 40 L C 0.167 177.080 176.870 0.073 0.000 1.044 40 L CA -0.347 54.526 54.840 0.055 0.000 0.807 40 L CB 1.459 43.526 42.059 0.012 0.000 1.192 40 L HN 0.573 nan 8.230 nan 0.000 0.425 41 T N 3.239 117.857 114.554 0.106 0.000 2.727 41 T HA 0.347 4.697 4.350 -0.001 0.000 0.295 41 T C 0.078 174.814 174.700 0.060 0.000 0.915 41 T CA -0.263 61.889 62.100 0.087 0.000 1.066 41 T CB 0.824 69.759 68.868 0.111 0.000 0.891 41 T HN 0.204 nan 8.240 nan 0.000 0.516 42 V N 4.368 124.305 119.914 0.038 0.000 2.495 42 V HA 0.419 4.538 4.120 -0.001 0.000 0.298 42 V C -0.013 176.093 176.094 0.019 0.000 1.031 42 V CA -0.947 61.369 62.300 0.026 0.000 0.871 42 V CB 1.864 33.698 31.823 0.019 0.000 0.988 42 V HN 0.781 nan 8.190 nan 0.000 0.432 43 Q N 2.541 122.350 119.800 0.016 0.000 2.325 43 Q HA 0.428 4.768 4.340 -0.001 0.000 0.262 43 Q C -0.104 175.901 176.000 0.008 0.000 0.968 43 Q CA -0.202 55.607 55.803 0.010 0.000 0.877 43 Q CB 1.566 30.308 28.738 0.007 0.000 1.253 43 Q HN 0.807 nan 8.270 nan 0.000 0.448 44 S N 2.765 118.469 115.700 0.007 0.000 2.549 44 S HA 0.043 4.512 4.470 -0.001 0.000 0.283 44 S C 0.410 175.013 174.600 0.004 0.000 1.320 44 S CA -0.053 58.151 58.200 0.006 0.000 1.058 44 S CB 0.625 63.829 63.200 0.006 0.000 0.882 44 S HN 0.710 nan 8.310 nan 0.000 0.498 45 Q N 2.381 122.184 119.800 0.004 0.000 2.219 45 Q HA 0.332 4.671 4.340 -0.001 0.000 0.209 45 Q C -0.398 175.604 176.000 0.004 0.000 0.854 45 Q CA 0.306 56.111 55.803 0.003 0.000 0.960 45 Q CB 0.500 29.241 28.738 0.004 0.000 1.116 45 Q HN 0.722 nan 8.270 nan 0.000 0.500 46 E N 0.374 120.577 120.200 0.004 0.000 2.343 46 E HA 0.259 4.608 4.350 -0.001 0.000 0.270 46 E C -1.373 175.229 176.600 0.004 0.000 0.895 46 E CA -0.714 55.689 56.400 0.004 0.000 0.767 46 E CB 1.688 31.392 29.700 0.005 0.000 1.248 46 E HN -0.083 nan 8.360 nan 0.000 0.440 47 D N 0.710 121.112 120.400 0.004 0.000 2.372 47 D HA 0.025 4.665 4.640 -0.001 0.000 0.243 47 D C 0.107 176.410 176.300 0.004 0.000 1.121 47 D CA 0.436 54.438 54.000 0.004 0.000 0.898 47 D CB 0.391 41.193 40.800 0.003 0.000 1.202 47 D HN 0.473 nan 8.370 nan 0.000 0.428 48 N N 1.628 120.331 118.700 0.005 0.000 2.740 48 N HA -0.212 4.528 4.740 -0.001 0.000 0.248 48 N C -1.356 174.158 175.510 0.007 0.000 1.062 48 N CA 0.144 53.197 53.050 0.005 0.000 0.704 48 N CB -1.183 37.306 38.487 0.005 0.000 0.968 48 N HN 0.389 nan 8.380 nan 0.000 0.547 49 L N 0.682 121.909 121.223 0.007 0.000 2.361 49 L HA 0.309 4.649 4.340 -0.001 0.000 0.278 49 L C 1.289 178.165 176.870 0.010 0.000 1.113 49 L CA 0.517 55.362 54.840 0.009 0.000 0.849 49 L CB 0.570 42.634 42.059 0.009 0.000 1.155 49 L HN 0.261 nan 8.230 nan 0.000 0.452 50 R N 1.897 122.404 120.500 0.011 0.000 2.446 50 R HA 0.279 4.619 4.340 -0.001 0.000 0.254 50 R C -0.358 175.952 176.300 0.017 0.000 0.918 50 R CA 0.437 56.545 56.100 0.013 0.000 1.069 50 R CB 0.463 30.770 30.300 0.012 0.000 1.194 50 R HN 0.769 nan 8.270 nan 0.000 0.534 51 S N 0.451 116.161 115.700 0.017 0.000 2.570 51 S HA 0.654 5.124 4.470 -0.001 0.000 0.270 51 S C -0.963 173.648 174.600 0.018 0.000 1.149 51 S CA -1.036 57.176 58.200 0.021 0.000 0.837 51 S CB 1.920 65.133 63.200 0.021 0.000 1.124 51 S HN 0.123 nan 8.310 nan 0.000 0.465 52 L N -1.041 120.195 121.223 0.021 0.000 2.403 52 L HA 0.979 5.319 4.340 -0.001 0.000 0.253 52 L C -1.804 175.077 176.870 0.018 0.000 1.045 52 L CA -1.130 53.720 54.840 0.016 0.000 0.845 52 L CB 1.207 43.273 42.059 0.012 0.000 1.447 52 L HN 0.603 nan 8.230 nan 0.000 0.411 53 V N 1.863 121.784 119.914 0.012 0.000 2.656 53 V HA 0.583 4.703 4.120 -0.001 0.000 0.307 53 V C 0.002 176.096 176.094 0.000 0.000 1.051 53 V CA -0.392 61.914 62.300 0.010 0.000 0.893 53 V CB 2.001 33.830 31.823 0.009 0.000 0.999 53 V HN 0.619 nan 8.190 nan 0.000 0.426 54 L N 2.358 123.577 121.223 -0.006 0.000 2.319 54 L HA 0.635 4.975 4.340 -0.001 0.000 0.267 54 L C -0.427 176.429 176.870 -0.024 0.000 1.011 54 L CA -0.849 53.978 54.840 -0.022 0.000 0.818 54 L CB 2.007 44.042 42.059 -0.041 0.000 1.316 54 L HN 0.535 nan 8.230 nan 0.000 0.432 55 D N 1.062 121.443 120.400 -0.031 0.000 2.302 55 D HA 0.389 5.029 4.640 -0.001 0.000 0.248 55 D C -0.164 176.105 176.300 -0.051 0.000 1.094 55 D CA 0.296 54.276 54.000 -0.034 0.000 0.897 55 D CB 1.912 42.696 40.800 -0.026 0.000 1.200 55 D HN 0.627 nan 8.370 nan 0.000 0.429 56 T N -1.386 113.142 114.554 -0.042 0.000 2.868 56 T HA 0.583 4.933 4.350 -0.001 0.000 0.306 56 T C -0.808 173.875 174.700 -0.027 0.000 1.224 56 T CA -1.060 61.011 62.100 -0.048 0.000 1.012 56 T CB 2.623 71.468 68.868 -0.039 0.000 1.221 56 T HN 0.304 nan 8.240 nan 0.000 0.499 57 K N 1.065 121.455 120.400 -0.016 0.000 2.656 57 K HA 0.328 4.648 4.320 -0.001 0.000 0.253 57 K C -1.013 175.599 176.600 0.021 0.000 1.002 57 K CA -0.470 55.820 56.287 0.006 0.000 0.880 57 K CB 0.737 33.249 32.500 0.021 0.000 1.232 57 K HN 0.801 nan 8.250 nan 0.000 0.456 58 D N 2.740 123.154 120.400 0.023 0.000 2.751 58 D HA -0.212 4.427 4.640 -0.001 0.000 0.233 58 D C -0.492 175.833 176.300 0.042 0.000 1.149 58 D CA 1.068 55.086 54.000 0.031 0.000 0.682 58 D CB -0.697 40.123 40.800 0.033 0.000 1.068 58 D HN 0.438 nan 8.370 nan 0.000 0.429 59 L N 0.241 121.489 121.223 0.041 0.000 2.322 59 L HA 0.335 4.674 4.340 -0.001 0.000 0.279 59 L C 0.891 177.805 176.870 0.073 0.000 1.036 59 L CA -0.402 54.479 54.840 0.068 0.000 0.807 59 L CB 1.753 43.835 42.059 0.037 0.000 1.226 59 L HN -0.214 nan 8.230 nan 0.000 0.433 60 T N 3.915 118.525 114.554 0.093 0.000 2.744 60 T HA 0.463 4.812 4.350 -0.001 0.000 0.291 60 T C -0.037 174.722 174.700 0.097 0.000 0.957 60 T CA -0.360 61.788 62.100 0.080 0.000 1.002 60 T CB 0.839 69.740 68.868 0.053 0.000 0.919 60 T HN 0.151 nan 8.240 nan 0.000 0.468 61 I N 3.286 123.910 120.570 0.090 0.000 2.336 61 I HA 0.289 4.458 4.170 -0.001 0.000 0.292 61 I C 1.298 177.462 176.117 0.079 0.000 0.991 61 I CA -0.498 60.829 61.300 0.045 0.000 1.227 61 I CB 1.390 39.345 38.000 -0.075 0.000 1.366 61 I HN 0.801 nan 8.210 nan 0.000 0.466 62 E N 6.520 126.744 120.200 0.040 0.000 2.075 62 E HA 0.011 4.361 4.350 -0.001 0.000 0.190 62 E C 0.014 176.667 176.600 0.088 0.000 0.969 62 E CA 0.854 57.290 56.400 0.060 0.000 0.815 62 E CB 0.755 30.466 29.700 0.019 0.000 0.776 62 E HN 0.723 nan 8.360 nan 0.000 0.457 63 K N -1.396 119.007 120.400 0.006 0.000 2.615 63 K HA 0.453 4.773 4.320 -0.001 0.000 0.291 63 K C -1.518 175.017 176.600 -0.107 0.000 1.017 63 K CA -0.881 55.418 56.287 0.020 0.000 0.882 63 K CB 1.947 34.485 32.500 0.063 0.000 1.522 63 K HN -0.121 nan 8.250 nan 0.000 0.412 64 V N 1.263 121.140 119.914 -0.062 0.000 2.577 64 V HA 0.453 4.573 4.120 -0.001 0.000 0.303 64 V C -1.105 175.001 176.094 0.020 0.000 1.042 64 V CA -0.801 61.460 62.300 -0.065 0.000 0.872 64 V CB 1.766 33.521 31.823 -0.113 0.000 0.998 64 V HN 0.580 nan 8.190 nan 0.000 0.423 65 V N 6.366 126.290 119.914 0.018 0.000 2.487 65 V HA 0.599 4.718 4.120 -0.001 0.000 0.298 65 V C -0.432 175.680 176.094 0.030 0.000 1.028 65 V CA -0.355 61.964 62.300 0.031 0.000 0.860 65 V CB 1.861 33.702 31.823 0.030 0.000 0.991 65 V HN 0.714 nan 8.190 nan 0.000 0.427 66 I N 4.147 124.737 120.570 0.032 0.000 2.582 66 I HA 0.494 4.663 4.170 -0.001 0.000 0.292 66 I C -0.020 176.113 176.117 0.027 0.000 1.066 66 I CA -0.816 60.502 61.300 0.029 0.000 1.053 66 I CB 2.160 40.178 38.000 0.029 0.000 1.241 66 I HN 0.614 nan 8.210 nan 0.000 0.421 67 N N 4.334 123.048 118.700 0.024 0.000 2.721 67 N HA -0.203 4.536 4.740 -0.001 0.000 0.249 67 N C 0.907 176.429 175.510 0.020 0.000 1.072 67 N CA 1.368 54.430 53.050 0.020 0.000 0.710 67 N CB -1.079 37.419 38.487 0.018 0.000 0.993 67 N HN 1.205 nan 8.380 nan 0.000 0.547 68 G N -1.792 107.021 108.800 0.023 0.000 2.168 68 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.263 68 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.263 68 G C -0.205 174.709 174.900 0.023 0.000 0.977 68 G CA 0.790 45.904 45.100 0.022 0.000 0.659 68 G HN 0.501 nan 8.290 nan 0.000 0.533 69 Q N -0.061 119.755 119.800 0.026 0.000 2.413 69 Q HA 0.449 4.788 4.340 -0.001 0.000 0.276 69 Q C -0.164 175.858 176.000 0.037 0.000 1.099 69 Q CA -0.711 55.109 55.803 0.029 0.000 0.814 69 Q CB 1.493 30.247 28.738 0.026 0.000 1.379 69 Q HN 0.593 nan 8.270 nan 0.000 0.436 70 E N 0.895 121.121 120.200 0.043 0.000 2.373 70 E HA 0.283 4.632 4.350 -0.001 0.000 0.267 70 E C 0.027 176.668 176.600 0.069 0.000 1.032 70 E CA -0.244 56.193 56.400 0.062 0.000 0.889 70 E CB 0.970 30.711 29.700 0.069 0.000 0.984 70 E HN 0.383 nan 8.360 nan 0.000 0.425 71 V N -0.283 119.688 119.914 0.095 0.000 3.046 71 V HA 0.524 4.644 4.120 -0.001 0.000 0.316 71 V C -0.520 175.664 176.094 0.151 0.000 1.104 71 V CA -1.301 61.057 62.300 0.097 0.000 1.006 71 V CB 1.807 33.679 31.823 0.081 0.000 1.058 71 V HN 0.355 nan 8.190 nan 0.000 0.440 72 K N 2.195 122.656 120.400 0.102 0.000 2.298 72 K HA 0.581 4.901 4.320 -0.001 0.000 0.280 72 K C -0.727 175.965 176.600 0.154 0.000 1.032 72 K CA 0.240 56.567 56.287 0.068 0.000 0.958 72 K CB 0.492 32.997 32.500 0.008 0.000 0.978 72 K HN 0.906 nan 8.250 nan 0.000 0.472 73 Y N -1.270 119.035 120.300 0.009 0.000 2.625 73 Y HA 0.791 5.340 4.550 -0.001 0.000 0.338 73 Y C -1.397 174.507 175.900 0.006 0.000 1.123 73 Y CA -1.641 56.464 58.100 0.008 0.000 1.046 73 Y CB 1.379 39.845 38.460 0.010 0.000 1.299 73 Y HN 0.451 nan 8.280 nan 0.000 0.464 74 A N 2.718 125.578 122.820 0.067 0.000 2.427 74 A HA 0.681 5.000 4.320 -0.001 0.000 0.298 74 A C -1.924 175.720 177.584 0.099 0.000 1.036 74 A CA -0.799 51.230 52.037 -0.014 0.000 0.701 74 A CB 1.162 20.143 19.000 -0.033 0.000 1.250 74 A HN 0.825 nan 8.150 nan 0.000 0.412 75 L N 2.849 124.127 121.223 0.092 0.000 2.265 75 L HA 0.519 4.859 4.340 -0.001 0.000 0.288 75 L C 1.219 178.110 176.870 0.035 0.000 1.058 75 L CA -0.321 54.570 54.840 0.085 0.000 0.809 75 L CB 1.412 43.531 42.059 0.099 0.000 1.179 75 L HN 0.914 nan 8.230 nan 0.000 0.429 76 G N 2.135 110.950 108.800 0.025 0.000 2.621 76 G HA2 0.142 4.101 3.960 -0.001 0.000 0.271 76 G HA3 0.142 4.101 3.960 -0.001 0.000 0.271 76 G C -0.410 174.491 174.900 0.002 0.000 1.236 76 G CA -0.464 44.641 45.100 0.008 0.000 0.958 76 G HN 0.659 nan 8.290 nan 0.000 0.512 77 E N -0.625 119.573 120.200 -0.005 0.000 2.398 77 E HA 0.123 4.473 4.350 -0.001 0.000 0.263 77 E C 0.662 177.252 176.600 -0.017 0.000 1.046 77 E CA -0.445 55.950 56.400 -0.008 0.000 0.908 77 E CB 0.561 30.255 29.700 -0.010 0.000 0.963 77 E HN 0.391 nan 8.360 nan 0.000 0.431 78 R N 2.861 123.351 120.500 -0.016 0.000 2.570 78 R HA -0.039 4.301 4.340 -0.001 0.000 0.277 78 R C -0.356 175.916 176.300 -0.047 0.000 1.039 78 R CA 0.487 56.570 56.100 -0.028 0.000 1.065 78 R CB 0.440 30.729 30.300 -0.017 0.000 0.964 78 R HN 0.583 nan 8.270 nan 0.000 0.428 79 Q N 3.309 123.059 119.800 -0.083 0.000 2.842 79 Q HA 0.111 4.451 4.340 -0.001 0.000 0.323 79 Q C -0.002 175.877 176.000 -0.202 0.000 1.111 79 Q CA -0.223 55.505 55.803 -0.125 0.000 1.047 79 Q CB 1.187 29.840 28.738 -0.143 0.000 1.280 79 Q HN 0.974 nan 8.270 nan 0.000 0.475 80 S N 0.677 116.308 115.700 -0.115 0.000 3.938 80 S HA -0.368 4.102 4.470 -0.001 0.000 0.624 80 S C 1.015 175.553 174.600 -0.103 0.000 2.186 80 S CA 2.003 60.158 58.200 -0.074 0.000 4.144 80 S CB -1.085 62.095 63.200 -0.034 0.000 0.230 80 S HN 0.822 nan 8.310 nan 0.000 0.755 81 Y N 1.012 121.316 120.300 0.006 0.000 2.483 81 Y HA 0.260 4.810 4.550 -0.001 0.000 0.291 81 Y C 2.026 177.909 175.900 -0.028 0.000 1.143 81 Y CA 1.341 59.438 58.100 -0.005 0.000 1.289 81 Y CB -0.542 37.911 38.460 -0.013 0.000 0.983 81 Y HN 0.412 nan 8.280 nan 0.000 0.556 82 K N 0.951 121.012 120.400 -0.564 0.000 2.366 82 K HA 0.228 4.548 4.320 -0.001 0.000 0.198 82 K C 1.322 177.836 176.600 -0.143 0.000 1.044 82 K CA 0.524 56.622 56.287 -0.315 0.000 0.973 82 K CB -0.227 32.042 32.500 -0.385 0.000 0.767 82 K HN 0.619 nan 8.250 nan 0.000 0.475 83 G N 0.758 109.489 108.800 -0.116 0.000 2.542 83 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.235 83 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.235 83 G C -0.719 174.147 174.900 -0.056 0.000 1.286 83 G CA -0.459 44.607 45.100 -0.057 0.000 0.904 83 G HN 0.168 nan 8.290 nan 0.000 0.577 84 S N 2.896 118.577 115.700 -0.031 0.000 2.519 84 S HA 0.718 5.187 4.470 -0.001 0.000 0.309 84 S C -2.575 172.017 174.600 -0.013 0.000 1.100 84 S CA -0.646 57.542 58.200 -0.019 0.000 1.059 84 S CB 2.647 65.847 63.200 -0.001 0.000 1.008 84 S HN 0.730 nan 8.310 nan 0.000 0.478 85 P HA 0.214 nan 4.420 nan 0.000 0.275 85 P C -0.998 176.313 177.300 0.019 0.000 1.227 85 P CA -0.437 62.661 63.100 -0.002 0.000 0.781 85 P CB 0.540 32.237 31.700 -0.005 0.000 0.906 86 M N 2.519 122.132 119.600 0.023 0.000 2.078 86 M HA 0.263 4.742 4.480 -0.001 0.000 0.320 86 M C -0.258 176.077 176.300 0.057 0.000 0.969 86 M CA -0.503 54.830 55.300 0.055 0.000 0.929 86 M CB 0.957 33.575 32.600 0.031 0.000 1.504 86 M HN 0.301 nan 8.290 nan 0.000 0.419 87 E N 5.369 125.616 120.200 0.079 0.000 2.200 87 E HA 0.438 4.788 4.350 -0.001 0.000 0.283 87 E C -1.494 175.168 176.600 0.103 0.000 1.015 87 E CA -0.424 56.016 56.400 0.066 0.000 0.819 87 E CB 1.133 30.860 29.700 0.046 0.000 1.081 87 E HN 0.740 nan 8.360 nan 0.000 0.397 88 I N 3.003 123.621 120.570 0.080 0.000 2.404 88 I HA 0.167 4.336 4.170 -0.001 0.000 0.293 88 I C -0.325 175.834 176.117 0.069 0.000 0.992 88 I CA -0.635 60.724 61.300 0.098 0.000 1.149 88 I CB 2.070 40.108 38.000 0.063 0.000 1.315 88 I HN 0.369 nan 8.210 nan 0.000 0.446 89 S N 6.987 122.732 115.700 0.075 0.000 2.430 89 S HA 0.461 4.931 4.470 -0.001 0.000 0.289 89 S C -0.062 174.565 174.600 0.044 0.000 1.143 89 S CA -0.626 57.603 58.200 0.049 0.000 1.067 89 S CB 0.300 63.524 63.200 0.040 0.000 0.964 89 S HN 0.324 nan 8.310 nan 0.000 0.485 90 L N 5.657 126.900 121.223 0.033 0.000 2.380 90 L HA 0.228 4.567 4.340 -0.001 0.000 0.273 90 L C -0.896 175.989 176.870 0.025 0.000 1.138 90 L CA -1.500 53.357 54.840 0.029 0.000 0.832 90 L CB 0.323 42.396 42.059 0.022 0.000 1.124 90 L HN 0.437 nan 8.230 nan 0.000 0.454 91 P HA 0.027 nan 4.420 nan 0.000 0.222 91 P C 0.171 177.481 177.300 0.016 0.000 1.153 91 P CA 1.163 64.276 63.100 0.022 0.000 0.798 91 P CB 0.571 32.285 31.700 0.023 0.000 0.796 92 I N -0.546 120.033 120.570 0.015 0.000 2.533 92 I HA 0.418 4.588 4.170 -0.001 0.000 0.290 92 I C -0.072 176.052 176.117 0.011 0.000 1.056 92 I CA -1.572 59.735 61.300 0.012 0.000 1.057 92 I CB 2.168 40.175 38.000 0.011 0.000 1.240 92 I HN -0.201 nan 8.210 nan 0.000 0.423 93 A N 7.324 130.149 122.820 0.010 0.000 2.540 93 A HA 0.425 4.745 4.320 -0.001 0.000 0.239 93 A C -0.283 177.306 177.584 0.008 0.000 1.061 93 A CA 0.261 52.303 52.037 0.009 0.000 0.758 93 A CB 0.032 19.037 19.000 0.007 0.000 0.991 93 A HN 0.673 nan 8.150 nan 0.000 0.502 94 L N 2.704 123.932 121.223 0.008 0.000 2.322 94 L HA 0.416 4.755 4.340 -0.001 0.000 0.279 94 L C 0.927 177.800 176.870 0.005 0.000 1.036 94 L CA -0.548 54.297 54.840 0.007 0.000 0.807 94 L CB 1.733 43.797 42.059 0.008 0.000 1.226 94 L HN 0.893 nan 8.230 nan 0.000 0.433 95 S N 1.433 117.135 115.700 0.004 0.000 2.632 95 S HA 0.257 4.726 4.470 -0.001 0.000 0.267 95 S C -0.210 174.391 174.600 0.002 0.000 1.276 95 S CA -0.879 57.322 58.200 0.003 0.000 0.998 95 S CB 1.185 64.386 63.200 0.001 0.000 0.953 95 S HN 0.573 nan 8.310 nan 0.000 0.547 96 K N 0.861 121.262 120.400 0.002 0.000 2.484 96 K HA -0.015 4.305 4.320 -0.001 0.000 0.280 96 K C 0.050 176.650 176.600 -0.000 0.000 1.013 96 K CA 0.484 56.772 56.287 0.001 0.000 1.029 96 K CB -0.181 32.319 32.500 0.001 0.000 0.902 96 K HN 0.708 nan 8.250 nan 0.000 0.481 97 N N 1.088 119.788 118.700 -0.000 0.000 2.965 97 N HA -0.239 4.501 4.740 -0.001 0.000 0.232 97 N C -0.555 174.954 175.510 -0.002 0.000 0.913 97 N CA 0.996 54.045 53.050 -0.002 0.000 0.981 97 N CB -0.884 37.600 38.487 -0.005 0.000 1.077 97 N HN 0.785 nan 8.380 nan 0.000 0.589 98 Q N 1.241 121.041 119.800 -0.000 0.000 2.337 98 Q HA 0.156 4.496 4.340 -0.001 0.000 0.270 98 Q C -0.571 175.431 176.000 0.003 0.000 1.002 98 Q CA 0.557 56.360 55.803 0.001 0.000 0.888 98 Q CB 0.540 29.279 28.738 0.002 0.000 1.222 98 Q HN 0.170 nan 8.270 nan 0.000 0.400 99 E N 4.002 124.204 120.200 0.003 0.000 2.199 99 E HA 0.504 4.854 4.350 -0.001 0.000 0.269 99 E C -0.647 175.958 176.600 0.009 0.000 0.899 99 E CA -0.574 55.830 56.400 0.006 0.000 0.772 99 E CB 1.552 31.254 29.700 0.004 0.000 1.155 99 E HN 0.590 nan 8.360 nan 0.000 0.408 100 I N -2.008 118.571 120.570 0.015 0.000 3.145 100 I HA 0.630 4.800 4.170 -0.001 0.000 0.313 100 I C -1.003 175.130 176.117 0.026 0.000 1.122 100 I CA -1.295 60.015 61.300 0.018 0.000 0.987 100 I CB 1.876 39.886 38.000 0.017 0.000 1.236 100 I HN 0.144 nan 8.210 nan 0.000 0.453 101 V N 4.057 123.989 119.914 0.030 0.000 2.370 101 V HA 0.474 4.594 4.120 -0.001 0.000 0.283 101 V C -0.079 176.039 176.094 0.039 0.000 1.023 101 V CA -0.319 62.007 62.300 0.043 0.000 0.857 101 V CB 1.300 33.152 31.823 0.049 0.000 0.985 101 V HN 0.468 nan 8.190 nan 0.000 0.443 102 I N 4.149 124.742 120.570 0.039 0.000 2.355 102 I HA 0.416 4.585 4.170 -0.001 0.000 0.288 102 I C 0.118 176.254 176.117 0.031 0.000 0.999 102 I CA -0.251 61.066 61.300 0.028 0.000 1.163 102 I CB 1.545 39.554 38.000 0.015 0.000 1.316 102 I HN 0.641 nan 8.210 nan 0.000 0.454 103 E N 7.773 127.993 120.200 0.033 0.000 2.081 103 E HA 0.469 4.818 4.350 -0.001 0.000 0.276 103 E C -1.080 175.534 176.600 0.023 0.000 0.950 103 E CA -0.572 55.853 56.400 0.041 0.000 0.776 103 E CB 1.037 30.767 29.700 0.050 0.000 1.094 103 E HN 0.527 nan 8.360 nan 0.000 0.402 104 I N 3.340 123.930 120.570 0.033 0.000 2.339 104 I HA 0.175 4.344 4.170 -0.001 0.000 0.290 104 I C -0.148 176.047 176.117 0.129 0.000 0.994 104 I CA -0.570 60.742 61.300 0.020 0.000 1.191 104 I CB 1.898 39.881 38.000 -0.029 0.000 1.343 104 I HN 0.344 nan 8.210 nan 0.000 0.458 105 S N 6.921 122.658 115.700 0.061 0.000 2.452 105 S HA 0.634 5.104 4.470 -0.001 0.000 0.284 105 S C -0.519 174.134 174.600 0.089 0.000 1.171 105 S CA -0.451 57.774 58.200 0.041 0.000 1.064 105 S CB 0.304 63.494 63.200 -0.017 0.000 0.967 105 S HN 0.466 nan 8.310 nan 0.000 0.484 106 F N 0.484 120.400 119.950 -0.056 0.000 2.685 106 F HA 0.827 5.354 4.527 -0.001 0.000 0.315 106 F C -0.802 174.978 175.800 -0.032 0.000 1.126 106 F CA -1.197 56.773 58.000 -0.051 0.000 0.950 106 F CB 1.346 40.311 39.000 -0.058 0.000 1.360 106 F HN 0.440 nan 8.300 nan 0.000 0.469 107 E N 0.724 120.975 120.200 0.084 0.000 2.308 107 E HA 0.443 4.793 4.350 -0.001 0.000 0.275 107 E C -1.229 175.483 176.600 0.187 0.000 0.890 107 E CA -0.896 55.510 56.400 0.010 0.000 0.754 107 E CB 2.277 31.953 29.700 -0.040 0.000 1.207 107 E HN 0.938 nan 8.360 nan 0.000 0.426 108 T N 0.310 114.974 114.554 0.182 0.000 2.816 108 T HA 0.349 4.699 4.350 -0.001 0.000 0.282 108 T C 0.377 175.125 174.700 0.079 0.000 0.993 108 T CA -0.735 61.463 62.100 0.164 0.000 0.994 108 T CB 1.563 70.548 68.868 0.196 0.000 1.025 108 T HN 0.241 nan 8.240 nan 0.000 0.529 109 S N 0.961 116.701 115.700 0.067 0.000 2.585 109 S HA 0.395 4.864 4.470 -0.001 0.000 0.277 109 S C -1.661 172.947 174.600 0.013 0.000 1.241 109 S CA -1.786 56.426 58.200 0.020 0.000 1.041 109 S CB 0.575 63.787 63.200 0.021 0.000 0.987 109 S HN 0.565 nan 8.310 nan 0.000 0.512 110 P HA -0.027 nan 4.420 nan 0.000 0.218 110 P C 0.375 177.666 177.300 -0.015 0.000 1.146 110 P CA 1.032 64.045 63.100 -0.145 0.000 0.813 110 P CB 0.123 31.693 31.700 -0.217 0.000 0.778 111 K N -0.853 119.545 120.400 -0.004 0.000 2.444 111 K HA 0.101 4.421 4.320 -0.001 0.000 0.193 111 K C 0.500 177.110 176.600 0.017 0.000 1.024 111 K CA 0.001 56.291 56.287 0.005 0.000 1.077 111 K CB -0.821 31.677 32.500 -0.003 0.000 0.833 111 K HN -0.041 nan 8.250 nan 0.000 0.517 112 S N 1.023 116.753 115.700 0.050 0.000 2.784 112 S HA -0.090 4.379 4.470 -0.001 0.000 0.322 112 S C 1.315 175.899 174.600 -0.028 0.000 1.234 112 S CA 0.246 58.471 58.200 0.042 0.000 1.064 112 S CB 0.164 63.414 63.200 0.083 0.000 0.787 112 S HN 0.488 nan 8.310 nan 0.000 0.506 113 S N 4.511 120.197 115.700 -0.023 0.000 2.474 113 S HA -0.012 4.458 4.470 -0.001 0.000 0.235 113 S C 1.835 176.252 174.600 -0.305 0.000 0.997 113 S CA 0.525 58.644 58.200 -0.134 0.000 0.949 113 S CB -0.391 62.819 63.200 0.017 0.000 0.766 113 S HN 0.941 nan 8.310 nan 0.000 0.517 114 A N 0.939 123.682 122.820 -0.129 0.000 2.066 114 A HA 0.434 4.753 4.320 -0.001 0.000 0.218 114 A C 0.870 178.382 177.584 -0.119 0.000 1.157 114 A CA 0.342 52.325 52.037 -0.089 0.000 0.670 114 A CB -0.282 18.727 19.000 0.015 0.000 0.804 114 A HN 0.559 nan 8.150 nan 0.000 0.453 115 L N -0.792 120.308 121.223 -0.204 0.000 2.354 115 L HA 0.485 4.825 4.340 -0.001 0.000 0.269 115 L C -0.279 176.301 176.870 -0.482 0.000 1.005 115 L CA -0.554 54.086 54.840 -0.332 0.000 0.819 115 L CB 1.953 43.838 42.059 -0.290 0.000 1.311 115 L HN 0.271 nan 8.230 nan 0.000 0.423 116 Q N 1.446 120.813 119.800 -0.721 0.000 2.330 116 Q HA 0.347 4.687 4.340 -0.001 0.000 0.269 116 Q C -1.947 173.775 176.000 -0.463 0.000 1.022 116 Q CA -0.633 54.823 55.803 -0.579 0.000 0.796 116 Q CB 1.576 29.935 28.738 -0.633 0.000 1.271 116 Q HN 0.479 nan 8.270 nan 0.000 0.450 117 W N 5.135 126.357 121.300 -0.129 0.000 2.335 117 W HA 0.442 5.102 4.660 -0.001 0.000 0.307 117 W C -0.784 175.791 176.519 0.093 0.000 1.117 117 W CA -0.395 56.967 57.345 0.028 0.000 1.228 117 W CB 0.736 30.208 29.460 0.020 0.000 1.240 117 W HN 0.417 nan 8.180 nan 0.000 0.468 118 L N 3.954 125.401 121.223 0.374 0.000 2.317 118 L HA 0.512 4.851 4.340 -0.001 0.000 0.281 118 L C 0.969 178.003 176.870 0.274 0.000 1.024 118 L CA -0.952 54.058 54.840 0.283 0.000 0.810 118 L CB 1.267 43.476 42.059 0.250 0.000 1.240 118 L HN 0.422 nan 8.230 nan 0.000 0.427 119 T N -0.893 113.772 114.554 0.186 0.000 2.828 119 T HA 0.200 4.550 4.350 -0.001 0.000 0.290 119 T C -1.893 172.869 174.700 0.103 0.000 1.019 119 T CA -1.503 60.677 62.100 0.134 0.000 1.031 119 T CB 1.010 69.931 68.868 0.089 0.000 1.001 119 T HN 0.330 nan 8.240 nan 0.000 0.531 120 P HA -0.118 nan 4.420 nan 0.000 0.216 120 P C 1.498 178.820 177.300 0.038 0.000 1.150 120 P CA 1.020 64.145 63.100 0.042 0.000 0.843 120 P CB 0.046 31.746 31.700 0.000 0.000 0.787 121 E N -0.608 119.612 120.200 0.034 0.000 2.347 121 E HA -0.134 4.216 4.350 -0.001 0.000 0.196 121 E C 1.767 178.390 176.600 0.039 0.000 1.008 121 E CA 0.867 57.284 56.400 0.028 0.000 0.852 121 E CB -0.461 29.253 29.700 0.022 0.000 0.783 121 E HN 0.510 nan 8.360 nan 0.000 0.505 122 Q N 0.464 120.296 119.800 0.054 0.000 2.451 122 Q HA 0.004 4.344 4.340 -0.001 0.000 0.206 122 Q C 0.773 176.791 176.000 0.031 0.000 0.947 122 Q CA 0.510 56.348 55.803 0.059 0.000 0.937 122 Q CB 0.261 29.052 28.738 0.088 0.000 1.025 122 Q HN 0.212 nan 8.270 nan 0.000 0.511 123 T N -4.138 110.433 114.554 0.028 0.000 2.923 123 T HA 0.299 4.649 4.350 -0.001 0.000 0.281 123 T C 1.091 175.797 174.700 0.010 0.000 0.995 123 T CA -0.652 61.449 62.100 0.001 0.000 0.985 123 T CB 1.704 70.608 68.868 0.059 0.000 1.114 123 T HN -0.181 nan 8.240 nan 0.000 0.548 124 S N 0.424 116.129 115.700 0.008 0.000 2.368 124 S HA 0.078 4.548 4.470 -0.001 0.000 0.224 124 S C 2.227 176.846 174.600 0.032 0.000 1.029 124 S CA 1.082 59.294 58.200 0.020 0.000 0.988 124 S CB -0.862 62.351 63.200 0.022 0.000 0.838 124 S HN 0.951 nan 8.310 nan 0.000 0.462 125 G N 0.590 109.421 108.800 0.052 0.000 2.551 125 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.216 125 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.216 125 G C 0.487 175.397 174.900 0.017 0.000 1.137 125 G CA 0.404 45.533 45.100 0.049 0.000 0.798 125 G HN 0.280 nan 8.290 nan 0.000 0.536 126 K N -0.759 119.650 120.400 0.015 0.000 3.547 126 K HA -0.204 4.115 4.320 -0.001 0.000 0.309 126 K C 1.096 177.663 176.600 -0.054 0.000 1.324 126 K CA 1.743 58.025 56.287 -0.009 0.000 0.988 126 K CB -1.502 30.993 32.500 -0.009 0.000 1.261 126 K HN 0.613 nan 8.250 nan 0.000 0.444 127 E N -0.398 119.734 120.200 -0.113 0.000 2.290 127 E HA 0.065 4.414 4.350 -0.001 0.000 0.197 127 E C 0.357 176.709 176.600 -0.413 0.000 0.948 127 E CA 0.204 56.425 56.400 -0.298 0.000 0.895 127 E CB 0.281 29.711 29.700 -0.449 0.000 0.865 127 E HN 0.347 nan 8.360 nan 0.000 0.486 128 H N 0.417 119.482 119.070 -0.008 0.000 2.679 128 H HA 0.314 4.870 4.556 -0.001 0.000 0.367 128 H C -2.246 173.046 175.328 -0.058 0.000 1.162 128 H CA -2.301 53.714 56.048 -0.055 0.000 1.181 128 H CB 1.537 31.269 29.762 -0.050 0.000 1.693 128 H HN -0.006 nan 8.280 nan 0.000 0.538 129 P HA 0.166 nan 4.420 nan 0.000 0.289 129 P C -1.085 176.208 177.300 -0.012 0.000 1.299 129 P CA -0.190 62.863 63.100 -0.078 0.000 0.766 129 P CB 1.470 32.987 31.700 -0.306 0.000 1.226 130 Y N -0.981 119.369 120.300 0.083 0.000 2.521 130 Y HA 0.534 5.083 4.550 -0.001 0.000 0.332 130 Y C -1.753 174.345 175.900 0.330 0.000 1.121 130 Y CA -1.042 57.180 58.100 0.203 0.000 1.037 130 Y CB 1.517 40.071 38.460 0.155 0.000 1.330 130 Y HN 0.284 nan 8.280 nan 0.000 0.452 131 L N 7.311 128.685 121.223 0.251 0.000 2.408 131 L HA 0.807 5.147 4.340 -0.001 0.000 0.268 131 L C -1.935 174.931 176.870 -0.007 0.000 0.986 131 L CA -0.803 53.972 54.840 -0.109 0.000 0.820 131 L CB 1.437 43.143 42.059 -0.588 0.000 1.303 131 L HN 0.471 nan 8.230 nan 0.000 0.411 132 F N 1.865 121.794 119.950 -0.034 0.000 2.601 132 F HA 0.898 5.425 4.527 -0.001 0.000 0.309 132 F C -0.557 175.284 175.800 0.069 0.000 1.089 132 F CA -0.588 57.448 58.000 0.061 0.000 0.940 132 F CB 1.268 40.405 39.000 0.228 0.000 1.273 132 F HN 0.596 nan 8.300 nan 0.000 0.450 133 S N 2.140 118.040 115.700 0.333 0.000 2.690 133 S HA 0.720 5.190 4.470 -0.001 0.000 0.291 133 S C -1.036 173.809 174.600 0.408 0.000 1.138 133 S CA -0.561 57.761 58.200 0.203 0.000 1.013 133 S CB 1.884 65.113 63.200 0.048 0.000 1.053 133 S HN 0.933 nan 8.310 nan 0.000 0.539 134 Q N 0.526 120.481 119.800 0.259 0.000 2.444 134 Q HA 0.331 4.670 4.340 -0.001 0.000 0.239 134 Q C -0.806 175.260 176.000 0.110 0.000 0.853 134 Q CA -0.464 55.474 55.803 0.226 0.000 0.856 134 Q CB 1.098 30.074 28.738 0.397 0.000 1.413 134 Q HN 0.916 nan 8.270 nan 0.000 0.437 135 C N 1.536 120.871 119.300 0.059 0.000 2.590 135 C HA 0.176 4.636 4.460 -0.001 0.000 0.272 135 C C 1.227 176.261 174.990 0.074 0.000 1.338 135 C CA 0.082 59.155 59.018 0.093 0.000 1.746 135 C CB -0.000 27.767 27.740 0.045 0.000 2.020 135 C HN 0.665 nan 8.230 nan 0.000 0.531 136 Q N 0.536 120.325 119.800 -0.018 0.000 2.311 136 Q HA 0.327 4.666 4.340 -0.001 0.000 0.272 136 Q C 0.884 176.640 176.000 -0.407 0.000 1.012 136 Q CA 0.248 55.893 55.803 -0.262 0.000 0.891 136 Q CB 0.955 29.499 28.738 -0.324 0.000 1.201 136 Q HN 0.506 nan 8.270 nan 0.000 0.391 137 A N 4.977 127.357 122.820 -0.733 0.000 1.871 137 A HA 0.028 4.348 4.320 -0.001 0.000 0.211 137 A C 1.237 178.479 177.584 -0.570 0.000 1.207 137 A CA 0.954 52.253 52.037 -1.229 0.000 0.620 137 A CB -0.023 17.772 19.000 -2.009 0.000 0.860 137 A HN 0.832 nan 8.150 nan 0.000 0.450 138 I N -4.944 115.301 120.570 -0.541 0.000 3.176 138 I HA 0.425 4.594 4.170 -0.001 0.000 0.339 138 I C 0.130 176.018 176.117 -0.382 0.000 1.505 138 I CA -0.332 60.788 61.300 -0.300 0.000 0.969 138 I CB 0.137 38.021 38.000 -0.192 0.000 1.636 138 I HN 0.124 nan 8.210 nan 0.000 0.523 139 H N -0.314 118.725 119.070 -0.052 0.000 2.652 139 H HA 0.170 4.725 4.556 -0.001 0.000 0.274 139 H C 1.857 177.167 175.328 -0.030 0.000 1.021 139 H CA 0.110 56.139 56.048 -0.031 0.000 1.187 139 H CB 0.649 30.396 29.762 -0.026 0.000 1.505 139 H HN 0.671 nan 8.280 nan 0.000 0.530 140 C N 2.259 121.591 119.300 0.053 0.000 2.422 140 C HA -0.128 4.331 4.460 -0.001 0.000 0.279 140 C C 2.990 177.952 174.990 -0.046 0.000 1.305 140 C CA 1.067 60.081 59.018 -0.007 0.000 1.757 140 C CB -0.707 27.020 27.740 -0.021 0.000 1.962 140 C HN 0.632 nan 8.230 nan 0.000 0.499 141 R N 0.977 121.457 120.500 -0.033 0.000 2.241 141 R HA -0.009 4.331 4.340 -0.001 0.000 0.224 141 R C 1.730 178.002 176.300 -0.046 0.000 1.101 141 R CA 1.672 57.737 56.100 -0.057 0.000 0.995 141 R CB -0.584 29.692 30.300 -0.040 0.000 0.870 141 R HN 0.489 nan 8.270 nan 0.000 0.463 142 A N 0.655 123.476 122.820 0.002 0.000 2.251 142 A HA 0.240 4.559 4.320 -0.001 0.000 0.209 142 A C 1.704 179.293 177.584 0.007 0.000 1.187 142 A CA 0.099 52.151 52.037 0.023 0.000 0.823 142 A CB -0.051 18.997 19.000 0.081 0.000 0.846 142 A HN 0.336 nan 8.150 nan 0.000 0.486 143 I N -1.204 119.340 120.570 -0.044 0.000 3.300 143 I HA 0.210 4.379 4.170 -0.001 0.000 0.279 143 I C -0.068 175.911 176.117 -0.231 0.000 1.172 143 I CA 0.352 61.620 61.300 -0.053 0.000 1.431 143 I CB 0.511 38.472 38.000 -0.065 0.000 1.240 143 I HN 0.368 nan 8.210 nan 0.000 0.453 144 L N -2.924 118.075 121.223 -0.374 0.000 2.582 144 L HA 0.655 4.994 4.340 -0.001 0.000 0.257 144 L C -3.201 173.396 176.870 -0.455 0.000 0.974 144 L CA -1.953 52.440 54.840 -0.745 0.000 0.851 144 L CB 0.696 42.319 42.059 -0.728 0.000 1.424 144 L HN -0.287 nan 8.230 nan 0.000 0.412 145 P HA 0.414 nan 4.420 nan 0.000 0.271 145 P C -0.860 176.326 177.300 -0.189 0.000 1.220 145 P CA -0.247 62.703 63.100 -0.250 0.000 0.768 145 P CB 0.605 32.176 31.700 -0.215 0.000 0.848 146 C N 0.613 119.838 119.300 -0.124 0.000 3.292 146 C HA 0.361 4.820 4.460 -0.001 0.000 0.338 146 C C -0.817 174.143 174.990 -0.049 0.000 1.323 146 C CA -0.941 58.024 59.018 -0.088 0.000 1.232 146 C CB 0.807 28.487 27.740 -0.099 0.000 1.517 146 C HN 0.466 nan 8.230 nan 0.000 0.470 147 Q N 1.183 120.965 119.800 -0.031 0.000 2.431 147 Q HA 0.190 4.529 4.340 -0.001 0.000 0.234 147 Q C -0.553 175.450 176.000 0.005 0.000 1.203 147 Q CA 0.330 56.127 55.803 -0.011 0.000 0.902 147 Q CB 0.233 28.968 28.738 -0.006 0.000 1.455 147 Q HN 0.608 nan 8.270 nan 0.000 0.515 148 D N 2.425 122.834 120.400 0.016 0.000 2.619 148 D HA 0.046 4.685 4.640 -0.001 0.000 0.224 148 D C -0.953 175.410 176.300 0.105 0.000 1.133 148 D CA 0.225 54.257 54.000 0.053 0.000 1.017 148 D CB 0.174 40.995 40.800 0.034 0.000 1.077 148 D HN 0.298 nan 8.370 nan 0.000 0.503 149 T N 0.831 115.436 114.554 0.086 0.000 2.993 149 T HA 0.397 4.746 4.350 -0.001 0.000 0.312 149 T C -2.447 172.260 174.700 0.012 0.000 1.115 149 T CA -1.629 60.500 62.100 0.050 0.000 1.027 149 T CB 2.030 70.902 68.868 0.007 0.000 1.116 149 T HN -0.084 nan 8.240 nan 0.000 0.464 150 P HA 0.098 nan 4.420 nan 0.000 0.245 150 P C 1.093 178.335 177.300 -0.097 0.000 1.212 150 P CA 0.160 63.213 63.100 -0.079 0.000 0.774 150 P CB -0.089 31.411 31.700 -0.333 0.000 0.999 151 S N -1.673 113.970 115.700 -0.095 0.000 2.561 151 S HA 0.072 4.542 4.470 -0.001 0.000 0.225 151 S C 0.759 175.340 174.600 -0.032 0.000 0.977 151 S CA -0.024 58.137 58.200 -0.065 0.000 0.926 151 S CB -0.642 62.525 63.200 -0.055 0.000 0.769 151 S HN -0.067 nan 8.310 nan 0.000 0.533 152 V N 1.720 121.623 119.914 -0.019 0.000 2.540 152 V HA 0.491 4.611 4.120 -0.001 0.000 0.302 152 V C -0.493 175.600 176.094 -0.001 0.000 1.035 152 V CA -0.802 61.494 62.300 -0.006 0.000 0.873 152 V CB 1.923 33.745 31.823 -0.002 0.000 0.992 152 V HN 0.248 nan 8.190 nan 0.000 0.428 153 K N 5.357 125.762 120.400 0.007 0.000 2.324 153 K HA 0.850 5.170 4.320 -0.001 0.000 0.253 153 K C -1.299 175.317 176.600 0.027 0.000 0.932 153 K CA -0.691 55.606 56.287 0.018 0.000 0.799 153 K CB 2.541 35.061 32.500 0.035 0.000 1.154 153 K HN 0.637 nan 8.250 nan 0.000 0.425 154 L N -1.518 119.727 121.223 0.037 0.000 2.424 154 L HA 0.625 4.965 4.340 -0.001 0.000 0.258 154 L C -0.051 176.869 176.870 0.084 0.000 0.995 154 L CA -0.965 53.906 54.840 0.052 0.000 0.821 154 L CB 1.809 43.886 42.059 0.030 0.000 1.383 154 L HN 0.614 nan 8.230 nan 0.000 0.410 155 T N -1.232 113.389 114.554 0.111 0.000 2.847 155 T HA 0.679 5.029 4.350 -0.001 0.000 0.279 155 T C -0.613 174.092 174.700 0.008 0.000 0.984 155 T CA -0.287 61.891 62.100 0.129 0.000 0.988 155 T CB 1.157 70.155 68.868 0.218 0.000 1.040 155 T HN 0.888 nan 8.240 nan 0.000 0.528 156 Y N -1.539 118.671 120.300 -0.150 0.000 2.571 156 Y HA 0.704 5.253 4.550 -0.001 0.000 0.341 156 Y C -0.775 175.111 175.900 -0.023 0.000 1.076 156 Y CA -1.166 56.724 58.100 -0.349 0.000 1.029 156 Y CB 1.147 39.480 38.460 -0.211 0.000 1.308 156 Y HN 1.008 nan 8.280 nan 0.000 0.461 157 T N 0.287 114.979 114.554 0.230 0.000 2.907 157 T HA 0.976 5.325 4.350 -0.001 0.000 0.292 157 T C -0.788 174.225 174.700 0.521 0.000 1.043 157 T CA -0.371 61.951 62.100 0.370 0.000 1.003 157 T CB 1.702 70.817 68.868 0.411 0.000 1.084 157 T HN 1.614 nan 8.240 nan 0.000 0.483 158 A N 1.427 124.527 122.820 0.467 0.000 2.574 158 A HA 0.751 5.070 4.320 -0.001 0.000 0.297 158 A C -1.307 176.493 177.584 0.361 0.000 1.062 158 A CA -1.003 51.262 52.037 0.378 0.000 0.686 158 A CB 1.472 20.712 19.000 0.400 0.000 1.285 158 A HN 0.860 nan 8.150 nan 0.000 0.403 159 E N 0.689 121.022 120.200 0.222 0.000 2.218 159 E HA 0.536 4.886 4.350 -0.001 0.000 0.263 159 E C -1.483 175.220 176.600 0.171 0.000 0.879 159 E CA -0.725 55.788 56.400 0.189 0.000 0.762 159 E CB 2.457 32.234 29.700 0.128 0.000 1.166 159 E HN 0.334 nan 8.360 nan 0.000 0.415 160 V N 2.165 122.222 119.914 0.239 0.000 2.407 160 V HA 0.272 4.391 4.120 -0.001 0.000 0.291 160 V C -0.201 176.012 176.094 0.198 0.000 1.018 160 V CA -0.731 61.696 62.300 0.210 0.000 0.842 160 V CB 1.712 33.695 31.823 0.267 0.000 0.996 160 V HN 0.615 nan 8.190 nan 0.000 0.426 161 S N 4.535 120.310 115.700 0.124 0.000 2.475 161 S HA 0.743 5.213 4.470 -0.001 0.000 0.281 161 S C -0.439 174.244 174.600 0.139 0.000 1.198 161 S CA -0.387 57.882 58.200 0.115 0.000 1.063 161 S CB 0.874 64.113 63.200 0.064 0.000 0.972 161 S HN 1.061 nan 8.310 nan 0.000 0.486 162 V N 2.641 122.665 119.914 0.183 0.000 3.078 162 V HA 0.752 4.872 4.120 -0.001 0.000 0.311 162 V C -3.042 173.168 176.094 0.193 0.000 1.138 162 V CA -2.961 59.468 62.300 0.215 0.000 1.007 162 V CB 1.152 33.126 31.823 0.251 0.000 1.045 162 V HN 0.599 nan 8.190 nan 0.000 0.432 163 P HA 0.087 nan 4.420 nan 0.000 0.261 163 P C 0.602 177.970 177.300 0.112 0.000 1.173 163 P CA 0.202 63.389 63.100 0.144 0.000 0.760 163 P CB 0.331 32.115 31.700 0.141 0.000 0.783 164 K N 4.394 124.844 120.400 0.083 0.000 2.281 164 K HA -0.184 4.136 4.320 -0.001 0.000 0.203 164 K C 1.106 177.741 176.600 0.058 0.000 1.046 164 K CA 1.296 57.626 56.287 0.070 0.000 0.938 164 K CB -0.248 32.277 32.500 0.041 0.000 0.737 164 K HN 0.422 nan 8.250 nan 0.000 0.458 165 E N 1.499 121.706 120.200 0.013 0.000 2.427 165 E HA -0.024 4.326 4.350 -0.001 0.000 0.196 165 E C 0.643 177.152 176.600 -0.153 0.000 1.028 165 E CA 0.259 56.618 56.400 -0.069 0.000 0.864 165 E CB -0.150 29.484 29.700 -0.111 0.000 0.813 165 E HN 0.391 nan 8.360 nan 0.000 0.514 166 L N 0.596 121.778 121.223 -0.070 0.000 2.331 166 L HA 0.509 4.849 4.340 -0.001 0.000 0.268 166 L C -0.225 176.657 176.870 0.021 0.000 1.015 166 L CA -1.326 53.466 54.840 -0.081 0.000 0.807 166 L CB 1.927 43.940 42.059 -0.078 0.000 1.293 166 L HN -0.231 nan 8.230 nan 0.000 0.451 167 V N 0.328 120.169 119.914 -0.122 0.000 2.604 167 V HA 0.678 4.798 4.120 -0.001 0.000 0.305 167 V C -0.116 175.658 176.094 -0.533 0.000 1.043 167 V CA -0.626 61.447 62.300 -0.380 0.000 0.888 167 V CB 1.693 33.388 31.823 -0.214 0.000 0.995 167 V HN 0.841 nan 8.190 nan 0.000 0.429 168 A N 5.589 127.857 122.820 -0.919 0.000 2.312 168 A HA 0.955 5.275 4.320 -0.001 0.000 0.326 168 A C -0.913 176.458 177.584 -0.356 0.000 1.172 168 A CA -0.462 51.290 52.037 -0.475 0.000 0.821 168 A CB 0.766 19.679 19.000 -0.146 0.000 1.166 168 A HN 0.787 nan 8.150 nan 0.000 0.493 169 L N 1.746 122.757 121.223 -0.352 0.000 2.393 169 L HA 0.687 5.027 4.340 -0.001 0.000 0.260 169 L C -0.307 176.235 176.870 -0.547 0.000 1.002 169 L CA -0.357 54.254 54.840 -0.381 0.000 0.818 169 L CB 2.245 43.962 42.059 -0.571 0.000 1.369 169 L HN 0.739 nan 8.230 nan 0.000 0.412 170 M N 0.089 119.272 119.600 -0.696 0.000 2.704 170 M HA 0.314 4.794 4.480 -0.001 0.000 0.284 170 M C -0.170 176.013 176.300 -0.196 0.000 1.275 170 M CA -0.737 54.244 55.300 -0.531 0.000 0.811 170 M CB 2.475 34.554 32.600 -0.868 0.000 1.741 170 M HN 0.566 nan 8.290 nan 0.000 0.458 171 S N 0.502 116.160 115.700 -0.070 0.000 4.175 171 S HA 0.642 5.111 4.470 -0.001 0.000 0.193 171 S C -0.346 174.269 174.600 0.026 0.000 1.373 171 S CA -0.316 57.871 58.200 -0.023 0.000 0.908 171 S CB -0.995 62.164 63.200 -0.068 0.000 1.547 171 S HN 0.746 nan 8.310 nan 0.000 0.440 172 A N 2.169 124.991 122.820 0.003 0.000 2.544 172 A HA 0.581 4.900 4.320 -0.001 0.000 0.291 172 A C -1.046 176.606 177.584 0.113 0.000 1.055 172 A CA -0.954 51.079 52.037 -0.007 0.000 0.651 172 A CB 0.462 19.397 19.000 -0.108 0.000 1.296 172 A HN 0.396 nan 8.150 nan 0.000 0.431 173 I N 1.386 122.021 120.570 0.107 0.000 2.441 173 I HA 0.242 4.412 4.170 -0.001 0.000 0.287 173 I C 0.897 177.116 176.117 0.170 0.000 1.049 173 I CA 0.002 61.382 61.300 0.134 0.000 1.381 173 I CB 0.617 38.671 38.000 0.089 0.000 1.409 173 I HN 0.657 nan 8.210 nan 0.000 0.523 174 R N 3.782 124.380 120.500 0.164 0.000 2.489 174 R HA 0.022 4.362 4.340 -0.001 0.000 0.287 174 R C -0.121 176.163 176.300 -0.026 0.000 1.053 174 R CA 0.118 56.251 56.100 0.055 0.000 1.036 174 R CB 0.441 30.796 30.300 0.091 0.000 0.966 174 R HN 0.453 nan 8.270 nan 0.000 0.432 175 D N 1.685 121.995 120.400 -0.150 0.000 2.804 175 D HA 0.218 4.858 4.640 -0.001 0.000 0.308 175 D C -0.035 176.197 176.300 -0.112 0.000 1.371 175 D CA 0.455 54.400 54.000 -0.092 0.000 0.823 175 D CB 0.401 41.162 40.800 -0.064 0.000 1.126 175 D HN 0.776 nan 8.370 nan 0.000 0.467 176 G N 1.003 109.736 108.800 -0.112 0.000 2.661 176 G HA2 0.031 3.991 3.960 -0.001 0.000 0.685 176 G HA3 0.031 3.991 3.960 -0.001 0.000 0.685 176 G C -0.830 173.976 174.900 -0.156 0.000 1.298 176 G CA -0.385 44.658 45.100 -0.095 0.000 0.855 176 G HN 0.356 nan 8.290 nan 0.000 0.560 177 E N -1.782 118.314 120.200 -0.174 0.000 2.366 177 E HA 0.816 5.165 4.350 -0.001 0.000 0.278 177 E C -0.383 176.075 176.600 -0.236 0.000 0.923 177 E CA -0.443 55.760 56.400 -0.330 0.000 0.761 177 E CB 2.404 31.783 29.700 -0.534 0.000 1.231 177 E HN 1.521 nan 8.360 nan 0.000 0.443 178 T N -1.283 113.122 114.554 -0.248 0.000 2.853 178 T HA 0.531 4.880 4.350 -0.001 0.000 0.311 178 T C -2.952 171.662 174.700 -0.143 0.000 1.307 178 T CA -2.101 59.907 62.100 -0.152 0.000 1.019 178 T CB 1.274 70.084 68.868 -0.096 0.000 1.264 178 T HN 0.247 nan 8.240 nan 0.000 0.497 179 P HA 0.219 nan 4.420 nan 0.000 0.269 179 P C -0.666 176.606 177.300 -0.047 0.000 1.215 179 P CA -0.100 62.963 63.100 -0.062 0.000 0.780 179 P CB 0.290 31.967 31.700 -0.038 0.000 0.898 180 D N 3.206 123.589 120.400 -0.029 0.000 2.339 180 D HA 0.071 4.711 4.640 -0.001 0.000 0.256 180 D C -1.538 174.758 176.300 -0.007 0.000 1.214 180 D CA -1.946 52.046 54.000 -0.013 0.000 0.877 180 D CB 0.519 41.322 40.800 0.004 0.000 1.111 180 D HN 0.110 nan 8.370 nan 0.000 0.478 181 P HA -0.084 nan 4.420 nan 0.000 0.221 181 P C 0.534 177.834 177.300 0.000 0.000 1.145 181 P CA 0.946 64.043 63.100 -0.004 0.000 0.795 181 P CB 0.309 32.007 31.700 -0.003 0.000 0.775 182 E N -1.301 118.901 120.200 0.002 0.000 2.442 182 E HA -0.003 4.346 4.350 -0.001 0.000 0.195 182 E C 0.133 176.737 176.600 0.006 0.000 1.030 182 E CA 0.374 56.777 56.400 0.004 0.000 0.869 182 E CB 0.059 29.761 29.700 0.004 0.000 0.857 182 E HN 0.144 nan 8.360 nan 0.000 0.505 183 D N -0.584 119.821 120.400 0.008 0.000 2.369 183 D HA 0.037 4.677 4.640 -0.001 0.000 0.212 183 D C -2.371 173.937 176.300 0.013 0.000 1.326 183 D CA -1.483 52.524 54.000 0.013 0.000 0.933 183 D CB 1.384 42.196 40.800 0.019 0.000 1.516 183 D HN -0.226 nan 8.370 nan 0.000 0.557 184 P HA -0.032 nan 4.420 nan 0.000 0.242 184 P C 0.909 178.219 177.300 0.017 0.000 1.197 184 P CA 0.350 63.456 63.100 0.009 0.000 0.765 184 P CB 0.094 31.799 31.700 0.008 0.000 0.936 185 S N -1.500 114.215 115.700 0.025 0.000 2.603 185 S HA 0.129 4.599 4.470 -0.001 0.000 0.220 185 S C 0.827 175.454 174.600 0.045 0.000 0.967 185 S CA -0.373 57.848 58.200 0.036 0.000 0.920 185 S CB -0.354 62.871 63.200 0.041 0.000 0.773 185 S HN 0.088 nan 8.310 nan 0.000 0.529 186 R N -0.047 120.476 120.500 0.038 0.000 2.837 186 R HA 0.630 4.970 4.340 -0.001 0.000 0.271 186 R C -1.182 175.130 176.300 0.021 0.000 0.993 186 R CA -0.832 55.298 56.100 0.049 0.000 0.931 186 R CB 1.577 31.911 30.300 0.057 0.000 1.206 186 R HN 0.091 nan 8.270 nan 0.000 0.474 187 K N 1.124 121.540 120.400 0.027 0.000 2.328 187 K HA 0.520 4.840 4.320 -0.001 0.000 0.246 187 K C -0.758 175.813 176.600 -0.049 0.000 0.955 187 K CA -0.629 55.616 56.287 -0.070 0.000 0.817 187 K CB 2.013 34.408 32.500 -0.176 0.000 1.208 187 K HN 0.360 nan 8.250 nan 0.000 0.432 188 I N 3.035 123.525 120.570 -0.133 0.000 2.339 188 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 188 I C -0.957 175.037 176.117 -0.203 0.000 0.994 188 I CA -0.717 60.544 61.300 -0.065 0.000 1.191 188 I CB 0.626 38.607 38.000 -0.033 0.000 1.343 188 I HN 0.429 nan 8.210 nan 0.000 0.458 189 Y N 5.686 125.979 120.300 -0.013 0.000 2.342 189 Y HA 0.448 4.998 4.550 -0.001 0.000 0.334 189 Y C 0.099 175.822 175.900 -0.296 0.000 1.067 189 Y CA -0.489 57.517 58.100 -0.157 0.000 1.128 189 Y CB 1.421 39.849 38.460 -0.054 0.000 1.200 189 Y HN 0.393 nan 8.280 nan 0.000 0.464 190 K N 3.157 123.298 120.400 -0.431 0.000 2.208 190 K HA 0.713 5.032 4.320 -0.001 0.000 0.247 190 K C -1.705 174.412 176.600 -0.804 0.000 0.953 190 K CA -0.747 55.314 56.287 -0.375 0.000 0.837 190 K CB 1.727 34.141 32.500 -0.144 0.000 1.131 190 K HN 0.413 nan 8.250 nan 0.000 0.431 191 F N 1.288 121.297 119.950 0.098 0.000 2.619 191 F HA 0.514 5.041 4.527 -0.001 0.000 0.308 191 F C -0.707 175.093 175.800 -0.001 0.000 1.097 191 F CA -0.904 57.126 58.000 0.050 0.000 0.953 191 F CB 1.499 40.541 39.000 0.070 0.000 1.287 191 F HN 0.301 nan 8.300 nan 0.000 0.446 192 I N 2.335 122.966 120.570 0.101 0.000 2.534 192 I HA 0.481 4.651 4.170 -0.001 0.000 0.288 192 I C -1.586 174.443 176.117 -0.147 0.000 1.077 192 I CA -0.566 60.718 61.300 -0.027 0.000 1.051 192 I CB 1.686 39.693 38.000 0.011 0.000 1.234 192 I HN 0.636 nan 8.210 nan 0.000 0.425 193 Q N 7.055 126.648 119.800 -0.345 0.000 2.413 193 Q HA 0.292 4.631 4.340 -0.001 0.000 0.258 193 Q C -0.052 175.874 176.000 -0.124 0.000 1.037 193 Q CA -0.465 55.157 55.803 -0.302 0.000 0.764 193 Q CB 1.223 29.579 28.738 -0.637 0.000 1.217 193 Q HN 0.716 nan 8.270 nan 0.000 0.490 194 K N 1.725 122.090 120.400 -0.058 0.000 2.426 194 K HA 0.170 4.489 4.320 -0.001 0.000 0.193 194 K C -0.365 176.187 176.600 -0.079 0.000 1.028 194 K CA 0.054 56.312 56.287 -0.049 0.000 1.047 194 K CB 0.531 32.995 32.500 -0.060 0.000 0.821 194 K HN 0.298 nan 8.250 nan 0.000 0.513 195 V N 3.817 123.687 119.914 -0.074 0.000 2.407 195 V HA 0.249 4.369 4.120 -0.001 0.000 0.278 195 V C -2.392 173.713 176.094 0.018 0.000 1.037 195 V CA -2.384 59.836 62.300 -0.133 0.000 0.900 195 V CB 1.161 32.744 31.823 -0.400 0.000 0.983 195 V HN 0.145 nan 8.190 nan 0.000 0.459 196 P HA 0.278 nan 4.420 nan 0.000 0.267 196 P C -0.625 176.760 177.300 0.141 0.000 1.205 196 P CA 0.246 63.386 63.100 0.067 0.000 0.765 196 P CB 0.293 32.009 31.700 0.028 0.000 0.828 197 I N 0.720 121.361 120.570 0.118 0.000 2.828 197 I HA 0.695 4.865 4.170 -0.001 0.000 0.302 197 I C -2.777 173.325 176.117 -0.023 0.000 1.101 197 I CA -3.484 57.861 61.300 0.074 0.000 1.031 197 I CB 2.622 40.667 38.000 0.075 0.000 1.231 197 I HN 0.065 nan 8.210 nan 0.000 0.427 198 P HA 0.044 nan 4.420 nan 0.000 0.271 198 P C 0.853 178.032 177.300 -0.201 0.000 1.218 198 P CA -0.308 62.706 63.100 -0.143 0.000 0.780 198 P CB 1.086 32.681 31.700 -0.175 0.000 0.901 199 C N 1.060 120.318 119.300 -0.070 0.000 2.437 199 C HA -0.104 4.355 4.460 -0.001 0.000 0.283 199 C C 2.571 177.529 174.990 -0.053 0.000 1.424 199 C CA 0.335 59.307 59.018 -0.078 0.000 1.782 199 C CB -2.591 25.121 27.740 -0.046 0.000 1.833 199 C HN 0.636 nan 8.230 nan 0.000 0.532 200 Y N 0.940 121.261 120.300 0.035 0.000 2.574 200 Y HA 0.212 4.761 4.550 -0.001 0.000 0.294 200 Y C 1.835 177.715 175.900 -0.034 0.000 1.142 200 Y CA 0.634 58.761 58.100 0.044 0.000 1.314 200 Y CB -0.924 37.662 38.460 0.210 0.000 0.991 200 Y HN 0.273 nan 8.280 nan 0.000 0.555 201 L N 0.726 121.698 121.223 -0.419 0.000 2.558 201 L HA 0.171 4.511 4.340 -0.001 0.000 0.225 201 L C 0.489 177.224 176.870 -0.226 0.000 1.128 201 L CA -0.125 54.506 54.840 -0.348 0.000 0.868 201 L CB -0.138 41.654 42.059 -0.445 0.000 1.006 201 L HN 0.158 nan 8.230 nan 0.000 0.454 202 I N 0.948 121.386 120.570 -0.220 0.000 2.618 202 I HA 0.125 4.295 4.170 -0.001 0.000 0.284 202 I C 0.450 176.422 176.117 -0.241 0.000 1.146 202 I CA 0.258 61.385 61.300 -0.288 0.000 1.425 202 I CB 0.574 38.320 38.000 -0.423 0.000 1.383 202 I HN 0.030 nan 8.210 nan 0.000 0.562 203 A N 6.930 129.610 122.820 -0.233 0.000 2.549 203 A HA 0.852 5.171 4.320 -0.001 0.000 0.297 203 A C -1.627 175.879 177.584 -0.129 0.000 1.061 203 A CA -0.489 51.417 52.037 -0.218 0.000 0.690 203 A CB 1.748 20.469 19.000 -0.465 0.000 1.287 203 A HN 0.544 nan 8.150 nan 0.000 0.402 204 L N 1.717 122.924 121.223 -0.026 0.000 2.436 204 L HA 0.833 5.173 4.340 -0.001 0.000 0.268 204 L C -1.442 175.453 176.870 0.041 0.000 0.974 204 L CA -0.576 54.222 54.840 -0.069 0.000 0.826 204 L CB 1.963 43.940 42.059 -0.138 0.000 1.291 204 L HN 0.968 nan 8.230 nan 0.000 0.406 205 V N 5.660 125.522 119.914 -0.086 0.000 2.735 205 V HA 0.852 4.971 4.120 -0.001 0.000 0.310 205 V C -1.455 174.458 176.094 -0.303 0.000 1.061 205 V CA -0.352 61.833 62.300 -0.192 0.000 0.913 205 V CB 2.348 33.970 31.823 -0.335 0.000 1.005 205 V HN 0.590 nan 8.190 nan 0.000 0.428 206 V N 5.826 125.536 119.914 -0.339 0.000 2.577 206 V HA 1.022 5.141 4.120 -0.001 0.000 0.303 206 V C 0.352 176.209 176.094 -0.395 0.000 1.042 206 V CA 0.453 62.597 62.300 -0.260 0.000 0.872 206 V CB 1.126 32.940 31.823 -0.016 0.000 0.998 206 V HN 1.337 nan 8.190 nan 0.000 0.423 207 G N 2.726 111.292 108.800 -0.390 0.000 2.430 207 G HA2 0.596 4.556 3.960 -0.001 0.000 0.300 207 G HA3 0.596 4.556 3.960 -0.001 0.000 0.300 207 G C -0.931 173.873 174.900 -0.160 0.000 1.330 207 G CA -0.087 44.797 45.100 -0.359 0.000 0.813 207 G HN 1.076 nan 8.290 nan 0.000 0.487 208 A N 0.466 123.277 122.820 -0.016 0.000 2.990 208 A HA 0.619 4.938 4.320 -0.001 0.000 0.282 208 A C 0.182 177.825 177.584 0.099 0.000 1.688 208 A CA 0.019 52.066 52.037 0.016 0.000 1.391 208 A CB -1.023 18.040 19.000 0.104 0.000 1.112 208 A HN 0.522 nan 8.150 nan 0.000 0.588 209 L N 1.334 122.610 121.223 0.087 0.000 2.322 209 L HA 0.505 4.844 4.340 -0.001 0.000 0.279 209 L C 0.343 177.368 176.870 0.259 0.000 1.036 209 L CA -0.296 54.661 54.840 0.197 0.000 0.807 209 L CB 1.519 43.694 42.059 0.193 0.000 1.226 209 L HN 0.589 nan 8.230 nan 0.000 0.433 210 E N 0.961 121.297 120.200 0.227 0.000 2.359 210 E HA 0.578 4.928 4.350 -0.001 0.000 0.266 210 E C -1.218 175.310 176.600 -0.119 0.000 0.920 210 E CA -0.675 55.774 56.400 0.082 0.000 0.788 210 E CB 2.569 32.290 29.700 0.035 0.000 1.279 210 E HN 0.625 nan 8.360 nan 0.000 0.438 211 S N 1.125 116.570 115.700 -0.424 0.000 2.570 211 S HA 0.727 5.197 4.470 -0.001 0.000 0.286 211 S C -0.698 173.649 174.600 -0.421 0.000 1.099 211 S CA -0.982 56.739 58.200 -0.798 0.000 0.913 211 S CB 2.370 64.554 63.200 -1.693 0.000 1.085 211 S HN 0.559 nan 8.310 nan 0.000 0.480 212 R N 0.934 121.224 120.500 -0.350 0.000 2.564 212 R HA 0.377 4.717 4.340 -0.001 0.000 0.284 212 R C -1.188 175.023 176.300 -0.147 0.000 1.031 212 R CA -0.443 55.546 56.100 -0.185 0.000 0.904 212 R CB 1.782 32.026 30.300 -0.094 0.000 1.199 212 R HN 0.869 nan 8.270 nan 0.000 0.443 213 Q N 4.028 123.771 119.800 -0.096 0.000 2.313 213 Q HA 0.194 4.533 4.340 -0.001 0.000 0.266 213 Q C 0.455 176.452 176.000 -0.004 0.000 0.989 213 Q CA 0.163 55.940 55.803 -0.044 0.000 0.890 213 Q CB 0.787 29.512 28.738 -0.023 0.000 1.200 213 Q HN 0.760 nan 8.270 nan 0.000 0.396 214 I N 0.173 120.758 120.570 0.024 0.000 4.338 214 I HA 0.609 4.778 4.170 -0.001 0.000 0.329 214 I C 0.374 176.525 176.117 0.056 0.000 1.378 214 I CA -0.250 61.078 61.300 0.048 0.000 1.170 214 I CB 1.026 39.072 38.000 0.076 0.000 1.206 214 I HN 0.532 nan 8.210 nan 0.000 0.432 215 G N 1.334 110.168 108.800 0.056 0.000 2.548 215 G HA2 0.374 4.334 3.960 -0.001 0.000 0.301 215 G HA3 0.374 4.334 3.960 -0.001 0.000 0.301 215 G C -2.719 172.216 174.900 0.057 0.000 1.349 215 G CA -0.332 44.801 45.100 0.055 0.000 0.792 215 G HN -0.239 nan 8.290 nan 0.000 0.481 216 P HA -0.021 nan 4.420 nan 0.000 0.222 216 P C 0.819 178.164 177.300 0.076 0.000 1.147 216 P CA 0.891 64.025 63.100 0.058 0.000 0.790 216 P CB 0.191 31.922 31.700 0.052 0.000 0.780 217 R N -1.965 118.589 120.500 0.090 0.000 2.642 217 R HA 0.384 4.724 4.340 -0.001 0.000 0.435 217 R C -0.730 175.660 176.300 0.150 0.000 1.046 217 R CA -0.338 55.836 56.100 0.123 0.000 1.103 217 R CB -0.201 30.179 30.300 0.132 0.000 1.425 217 R HN -0.203 nan 8.270 nan 0.000 0.586 218 T N 1.578 116.209 114.554 0.129 0.000 3.011 218 T HA 0.404 4.754 4.350 -0.001 0.000 0.303 218 T C -1.285 173.467 174.700 0.088 0.000 0.997 218 T CA -0.573 61.612 62.100 0.142 0.000 1.007 218 T CB 1.823 70.799 68.868 0.179 0.000 1.017 218 T HN -0.044 nan 8.240 nan 0.000 0.443 219 L N 3.628 124.897 121.223 0.076 0.000 2.325 219 L HA 0.673 5.013 4.340 -0.001 0.000 0.278 219 L C 0.110 176.962 176.870 -0.029 0.000 1.023 219 L CA -0.933 53.875 54.840 -0.054 0.000 0.811 219 L CB 1.684 43.632 42.059 -0.184 0.000 1.249 219 L HN 0.583 nan 8.230 nan 0.000 0.431 220 V N -0.896 118.969 119.914 -0.081 0.000 2.509 220 V HA 0.593 4.712 4.120 -0.001 0.000 0.284 220 V C -1.107 174.895 176.094 -0.153 0.000 1.047 220 V CA -0.733 61.573 62.300 0.009 0.000 0.952 220 V CB 0.930 32.823 31.823 0.117 0.000 0.988 220 V HN 0.677 nan 8.190 nan 0.000 0.469 221 W N 3.108 124.415 121.300 0.010 0.000 2.632 221 W HA 0.806 5.465 4.660 -0.001 0.000 0.328 221 W C 0.241 176.753 176.519 -0.011 0.000 1.044 221 W CA 0.173 57.512 57.345 -0.010 0.000 1.225 221 W CB 2.155 31.583 29.460 -0.054 0.000 1.396 221 W HN 1.082 nan 8.180 nan 0.000 0.499 222 S N -0.013 115.831 115.700 0.240 0.000 2.655 222 S HA 0.405 4.874 4.470 -0.001 0.000 0.266 222 S C -0.956 173.746 174.600 0.169 0.000 1.149 222 S CA -1.303 56.998 58.200 0.169 0.000 0.818 222 S CB 1.232 64.501 63.200 0.115 0.000 1.130 222 S HN 0.476 nan 8.310 nan 0.000 0.476 223 E N 0.949 121.241 120.200 0.153 0.000 2.418 223 E HA 0.115 4.465 4.350 -0.001 0.000 0.261 223 E C 0.900 177.556 176.600 0.093 0.000 1.070 223 E CA -0.303 56.179 56.400 0.137 0.000 0.931 223 E CB 0.545 30.319 29.700 0.124 0.000 0.954 223 E HN 0.654 nan 8.360 nan 0.000 0.439 224 K N 2.184 122.634 120.400 0.084 0.000 2.089 224 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 224 K C 1.390 178.015 176.600 0.042 0.000 1.048 224 K CA 1.853 58.174 56.287 0.057 0.000 0.926 224 K CB 0.072 32.605 32.500 0.055 0.000 0.714 224 K HN 0.459 nan 8.250 nan 0.000 0.448 225 E N 0.083 120.309 120.200 0.043 0.000 2.418 225 E HA -0.171 4.178 4.350 -0.001 0.000 0.197 225 E C 1.126 177.740 176.600 0.025 0.000 1.026 225 E CA 0.935 57.353 56.400 0.029 0.000 0.862 225 E CB 0.030 29.745 29.700 0.025 0.000 0.799 225 E HN 0.405 nan 8.360 nan 0.000 0.518 226 Q N -0.083 119.737 119.800 0.034 0.000 2.247 226 Q HA 0.175 4.514 4.340 -0.001 0.000 0.211 226 Q C 1.917 177.939 176.000 0.038 0.000 0.861 226 Q CA 0.024 55.848 55.803 0.034 0.000 0.949 226 Q CB 0.782 29.547 28.738 0.045 0.000 1.115 226 Q HN 0.062 nan 8.270 nan 0.000 0.507 227 V N 0.659 120.594 119.914 0.034 0.000 2.295 227 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 227 V C 2.162 178.267 176.094 0.020 0.000 1.049 227 V CA 2.210 64.526 62.300 0.027 0.000 1.024 227 V CB -0.286 31.541 31.823 0.006 0.000 0.648 227 V HN 0.467 nan 8.190 nan 0.000 0.447 228 E N 0.329 120.535 120.200 0.011 0.000 2.051 228 E HA -0.290 4.060 4.350 -0.001 0.000 0.192 228 E C 2.344 178.953 176.600 0.015 0.000 0.991 228 E CA 1.650 58.056 56.400 0.010 0.000 0.799 228 E CB -0.102 29.596 29.700 -0.004 0.000 0.748 228 E HN 0.535 nan 8.360 nan 0.000 0.449 229 K N 0.006 120.404 120.400 -0.003 0.000 2.057 229 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 229 K C 2.232 178.802 176.600 -0.051 0.000 1.049 229 K CA 1.586 57.863 56.287 -0.018 0.000 0.931 229 K CB 0.008 32.491 32.500 -0.030 0.000 0.714 229 K HN 0.001 nan 8.250 nan 0.000 0.440 230 S N 0.486 116.159 115.700 -0.046 0.000 2.368 230 S HA -0.108 4.361 4.470 -0.001 0.000 0.224 230 S C 2.014 176.578 174.600 -0.059 0.000 1.029 230 S CA 1.046 59.186 58.200 -0.100 0.000 0.988 230 S CB -0.216 63.069 63.200 0.143 0.000 0.838 230 S HN 0.506 nan 8.310 nan 0.000 0.462 231 A N 0.581 123.425 122.820 0.040 0.000 1.908 231 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 231 A C 1.976 179.593 177.584 0.055 0.000 1.181 231 A CA 1.716 53.794 52.037 0.070 0.000 0.627 231 A CB -0.918 18.116 19.000 0.058 0.000 0.818 231 A HN 0.598 nan 8.150 nan 0.000 0.445 232 Y N 0.196 120.451 120.300 -0.074 0.000 2.184 232 Y HA -0.117 4.433 4.550 -0.001 0.000 0.290 232 Y C 2.350 178.172 175.900 -0.130 0.000 1.129 232 Y CA 2.155 60.210 58.100 -0.074 0.000 1.144 232 Y CB -0.278 38.139 38.460 -0.072 0.000 0.995 232 Y HN 0.385 nan 8.280 nan 0.000 0.513 233 E N -0.207 119.866 120.200 -0.212 0.000 2.118 233 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 233 E C 0.761 177.104 176.600 -0.428 0.000 0.992 233 E CA 1.575 57.693 56.400 -0.470 0.000 0.804 233 E CB -0.339 28.826 29.700 -0.892 0.000 0.741 233 E HN 0.457 nan 8.360 nan 0.000 0.458 234 F N -0.397 119.565 119.950 0.020 0.000 2.708 234 F HA 0.253 4.780 4.527 -0.001 0.000 0.300 234 F C 1.721 177.532 175.800 0.018 0.000 1.118 234 F CA 0.138 58.165 58.000 0.045 0.000 1.307 234 F CB -0.291 38.763 39.000 0.089 0.000 0.986 234 F HN -0.015 nan 8.300 nan 0.000 0.522 235 S N -0.664 115.061 115.700 0.043 0.000 2.474 235 S HA -0.173 4.297 4.470 -0.001 0.000 0.235 235 S C 1.352 175.972 174.600 0.032 0.000 0.997 235 S CA 1.028 59.233 58.200 0.007 0.000 0.949 235 S CB -0.451 62.682 63.200 -0.112 0.000 0.766 235 S HN 0.529 nan 8.310 nan 0.000 0.517 236 E N 0.886 121.119 120.200 0.056 0.000 2.511 236 E HA 0.026 4.376 4.350 -0.001 0.000 0.196 236 E C 1.440 178.084 176.600 0.073 0.000 1.066 236 E CA 0.629 57.065 56.400 0.059 0.000 0.871 236 E CB -0.302 29.449 29.700 0.085 0.000 0.863 236 E HN 0.548 nan 8.360 nan 0.000 0.520 237 T N 1.222 115.842 114.554 0.109 0.000 2.652 237 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 237 T C 1.812 176.530 174.700 0.030 0.000 1.039 237 T CA 1.734 63.893 62.100 0.099 0.000 1.153 237 T CB -0.144 68.832 68.868 0.181 0.000 0.863 237 T HN 0.179 nan 8.240 nan 0.000 0.428 238 E N 1.566 121.789 120.200 0.039 0.000 2.077 238 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 238 E C 2.350 178.945 176.600 -0.008 0.000 0.989 238 E CA 1.774 58.179 56.400 0.009 0.000 0.800 238 E CB -0.457 29.259 29.700 0.026 0.000 0.746 238 E HN 0.557 nan 8.360 nan 0.000 0.452 239 S N -0.344 115.354 115.700 -0.004 0.000 2.382 239 S HA -0.208 4.262 4.470 -0.001 0.000 0.228 239 S C 2.137 176.721 174.600 -0.028 0.000 1.027 239 S CA 1.512 59.700 58.200 -0.019 0.000 0.991 239 S CB -0.423 62.759 63.200 -0.030 0.000 0.823 239 S HN 0.314 nan 8.310 nan 0.000 0.469 240 M N 0.741 120.329 119.600 -0.020 0.000 2.175 240 M HA 0.080 4.560 4.480 -0.001 0.000 0.264 240 M C 2.239 178.515 176.300 -0.041 0.000 1.063 240 M CA 1.227 56.515 55.300 -0.021 0.000 1.119 240 M CB -0.589 32.016 32.600 0.008 0.000 1.377 240 M HN 0.304 nan 8.290 nan 0.000 0.415 241 L N 0.019 121.199 121.223 -0.072 0.000 2.046 241 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 241 L C 2.482 179.349 176.870 -0.004 0.000 1.077 241 L CA 1.404 56.199 54.840 -0.076 0.000 0.747 241 L CB -0.525 41.423 42.059 -0.184 0.000 0.896 241 L HN 0.258 nan 8.230 nan 0.000 0.432 242 K N 0.059 120.451 120.400 -0.014 0.000 2.057 242 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 242 K C 2.062 178.649 176.600 -0.021 0.000 1.049 242 K CA 1.352 57.639 56.287 0.001 0.000 0.931 242 K CB -0.212 32.287 32.500 -0.002 0.000 0.714 242 K HN 0.262 nan 8.250 nan 0.000 0.440 243 I N 1.000 121.546 120.570 -0.040 0.000 2.226 243 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 243 I C 2.514 178.561 176.117 -0.117 0.000 1.100 243 I CA 1.086 62.350 61.300 -0.060 0.000 1.374 243 I CB -0.364 37.608 38.000 -0.047 0.000 1.057 243 I HN 0.129 nan 8.210 nan 0.000 0.413 244 A N 0.402 123.137 122.820 -0.142 0.000 1.933 244 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 244 A C 2.210 179.427 177.584 -0.613 0.000 1.175 244 A CA 1.674 53.495 52.037 -0.360 0.000 0.628 244 A CB -0.580 18.273 19.000 -0.244 0.000 0.814 244 A HN 0.448 nan 8.150 nan 0.000 0.444 245 E N -0.630 119.437 120.200 -0.222 0.000 2.110 245 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 245 E C 1.710 178.242 176.600 -0.113 0.000 0.988 245 E CA 1.202 57.575 56.400 -0.045 0.000 0.804 245 E CB -0.190 29.608 29.700 0.163 0.000 0.745 245 E HN 0.689 nan 8.360 nan 0.000 0.458 246 D N 0.530 120.866 120.400 -0.107 0.000 2.117 246 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 246 D C 1.849 178.066 176.300 -0.138 0.000 0.987 246 D CA 0.951 54.898 54.000 -0.088 0.000 0.829 246 D CB 0.050 40.812 40.800 -0.063 0.000 0.961 246 D HN 0.092 nan 8.370 nan 0.000 0.460 247 L N -1.119 119.972 121.223 -0.219 0.000 2.131 247 L HA 0.189 4.528 4.340 -0.001 0.000 0.206 247 L C 2.358 179.049 176.870 -0.298 0.000 1.087 247 L CA 1.164 55.868 54.840 -0.227 0.000 0.767 247 L CB -0.219 41.711 42.059 -0.215 0.000 0.917 247 L HN 0.145 nan 8.230 nan 0.000 0.441 248 G N -1.217 107.250 108.800 -0.554 0.000 2.850 248 G HA2 0.451 4.411 3.960 -0.001 0.000 0.211 248 G HA3 0.451 4.411 3.960 -0.001 0.000 0.211 248 G C 0.689 175.397 174.900 -0.320 0.000 1.124 248 G CA 0.512 45.188 45.100 -0.707 0.000 0.769 248 G HN 0.505 nan 8.290 nan 0.000 0.535 249 G N -0.258 108.459 108.800 -0.138 0.000 2.631 249 G HA2 0.003 3.963 3.960 -0.001 0.000 0.504 249 G HA3 0.003 3.963 3.960 -0.001 0.000 0.504 249 G C -3.028 172.109 174.900 0.396 0.000 1.306 249 G CA -0.728 44.445 45.100 0.122 0.000 0.897 249 G HN 0.177 nan 8.290 nan 0.000 0.520 250 P HA 0.224 nan 4.420 nan 0.000 0.264 250 P C -0.454 177.112 177.300 0.443 0.000 1.183 250 P CA 0.207 63.500 63.100 0.322 0.000 0.763 250 P CB 0.183 31.977 31.700 0.156 0.000 0.807 251 Y N 4.099 124.591 120.300 0.319 0.000 2.480 251 Y HA 0.188 4.738 4.550 -0.001 0.000 0.341 251 Y C 1.199 177.085 175.900 -0.024 0.000 1.031 251 Y CA -0.035 58.128 58.100 0.104 0.000 1.295 251 Y CB 0.407 38.987 38.460 0.200 0.000 1.162 251 Y HN 0.198 nan 8.280 nan 0.000 0.523 252 V N 2.957 122.466 119.914 -0.675 0.000 3.647 252 V HA 0.061 4.180 4.120 -0.001 0.000 0.279 252 V C 0.534 176.175 176.094 -0.755 0.000 1.314 252 V CA 0.132 62.038 62.300 -0.657 0.000 1.125 252 V CB -0.741 30.659 31.823 -0.704 0.000 0.907 252 V HN 0.841 nan 8.190 nan 0.000 0.434 253 W N 1.213 122.072 121.300 -0.736 0.000 3.290 253 W HA 0.658 5.318 4.660 -0.001 0.000 0.287 253 W C 1.864 178.322 176.519 -0.103 0.000 1.288 253 W CA 0.664 57.747 57.345 -0.436 0.000 1.725 253 W CB 0.173 29.303 29.460 -0.550 0.000 1.103 253 W HN 0.499 nan 8.180 nan 0.000 0.670 254 G N 1.204 110.114 108.800 0.183 0.000 4.886 254 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.305 254 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.305 254 G C 0.433 175.577 174.900 0.407 0.000 1.483 254 G CA 0.389 45.642 45.100 0.255 0.000 1.029 254 G HN 0.369 nan 8.290 nan 0.000 0.746 255 Q N -0.310 119.712 119.800 0.370 0.000 2.227 255 Q HA 0.683 5.022 4.340 -0.001 0.000 0.245 255 Q C -0.949 175.325 176.000 0.456 0.000 0.926 255 Q CA -0.901 55.108 55.803 0.343 0.000 0.895 255 Q CB 1.779 30.660 28.738 0.239 0.000 1.230 255 Q HN 0.821 nan 8.270 nan 0.000 0.450 256 Y N 1.966 122.388 120.300 0.205 0.000 2.805 256 Y HA 0.328 4.877 4.550 -0.001 0.000 0.339 256 Y C -1.521 174.454 175.900 0.126 0.000 1.012 256 Y CA -0.843 57.340 58.100 0.139 0.000 1.262 256 Y CB 0.759 39.173 38.460 -0.075 0.000 1.100 256 Y HN 0.746 nan 8.280 nan 0.000 0.559 257 D N 3.852 124.142 120.400 -0.183 0.000 2.340 257 D HA 0.497 5.136 4.640 -0.001 0.000 0.251 257 D C -0.825 175.337 176.300 -0.230 0.000 1.080 257 D CA -0.078 53.895 54.000 -0.045 0.000 0.971 257 D CB 1.848 42.773 40.800 0.208 0.000 1.137 257 D HN 0.508 nan 8.370 nan 0.000 0.475 258 L N 1.222 122.435 121.223 -0.018 0.000 2.365 258 L HA 0.459 4.798 4.340 -0.001 0.000 0.273 258 L C -1.007 175.902 176.870 0.066 0.000 1.000 258 L CA -1.051 53.754 54.840 -0.059 0.000 0.819 258 L CB 1.845 43.857 42.059 -0.078 0.000 1.284 258 L HN 0.101 nan 8.230 nan 0.000 0.418 259 L N 4.190 125.381 121.223 -0.054 0.000 2.325 259 L HA 0.553 4.893 4.340 -0.001 0.000 0.281 259 L C -0.837 175.917 176.870 -0.193 0.000 1.004 259 L CA -0.303 54.463 54.840 -0.124 0.000 0.823 259 L CB 1.794 43.589 42.059 -0.439 0.000 1.236 259 L HN 0.264 nan 8.230 nan 0.000 0.415 260 V N 6.686 126.562 119.914 -0.064 0.000 2.348 260 V HA 0.322 4.442 4.120 -0.001 0.000 0.270 260 V C 0.534 176.544 176.094 -0.140 0.000 1.037 260 V CA -0.409 61.861 62.300 -0.050 0.000 0.872 260 V CB 0.720 32.621 31.823 0.130 0.000 1.002 260 V HN 0.674 nan 8.190 nan 0.000 0.464 261 L N 7.187 128.227 121.223 -0.304 0.000 2.479 261 L HA 0.420 4.760 4.340 -0.001 0.000 0.249 261 L C -1.932 174.772 176.870 -0.276 0.000 1.178 261 L CA -1.425 53.175 54.840 -0.401 0.000 0.811 261 L CB 0.339 41.928 42.059 -0.784 0.000 1.187 261 L HN 0.411 nan 8.230 nan 0.000 0.480 262 P HA 0.105 nan 4.420 nan 0.000 0.273 262 P C -2.237 175.014 177.300 -0.083 0.000 1.250 262 P CA -1.033 61.926 63.100 -0.235 0.000 0.793 262 P CB -0.049 31.457 31.700 -0.323 0.000 1.011 263 P HA -0.116 nan 4.420 nan 0.000 0.225 263 P C 1.087 178.430 177.300 0.072 0.000 1.148 263 P CA 1.332 64.456 63.100 0.040 0.000 0.779 263 P CB -0.351 31.375 31.700 0.042 0.000 0.780 264 S N -1.910 113.857 115.700 0.111 0.000 2.607 264 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 264 S C 0.558 175.271 174.600 0.188 0.000 0.969 264 S CA -0.405 57.896 58.200 0.168 0.000 0.927 264 S CB -1.334 62.019 63.200 0.256 0.000 0.772 264 S HN -0.032 nan 8.310 nan 0.000 0.533 265 F N 4.302 124.203 119.950 -0.082 0.000 2.602 265 F HA 0.278 4.805 4.527 -0.001 0.000 0.385 265 F C -2.095 173.567 175.800 -0.231 0.000 1.063 265 F CA -2.293 55.574 58.000 -0.221 0.000 1.233 265 F CB 0.787 39.568 39.000 -0.365 0.000 1.067 265 F HN 0.036 nan 8.300 nan 0.000 0.564 266 P HA 0.019 nan 4.420 nan 0.000 0.245 266 P C -1.372 175.039 177.300 -1.482 0.000 1.212 266 P CA 1.028 63.394 63.100 -1.223 0.000 0.774 266 P CB -0.001 30.768 31.700 -1.550 0.000 0.999 267 Y N -2.706 117.082 120.300 -0.853 0.000 2.605 267 Y HA 0.554 5.104 4.550 -0.001 0.000 0.343 267 Y C 1.950 177.758 175.900 -0.153 0.000 1.036 267 Y CA -0.946 56.872 58.100 -0.471 0.000 1.065 267 Y CB 0.221 38.419 38.460 -0.436 0.000 1.288 267 Y HN -0.328 nan 8.280 nan 0.000 0.481 268 G N 0.300 109.144 108.800 0.074 0.000 2.446 268 G HA2 0.275 4.235 3.960 -0.001 0.000 0.217 268 G HA3 0.275 4.235 3.960 -0.001 0.000 0.217 268 G C 0.400 175.456 174.900 0.260 0.000 1.168 268 G CA 0.986 46.145 45.100 0.097 0.000 0.771 268 G HN 1.011 nan 8.290 nan 0.000 0.551 269 G N -1.757 107.240 108.800 0.329 0.000 2.673 269 G HA2 0.516 4.475 3.960 -0.001 0.000 0.292 269 G HA3 0.516 4.475 3.960 -0.001 0.000 0.292 269 G C -1.710 173.426 174.900 0.394 0.000 1.450 269 G CA -0.630 44.708 45.100 0.397 0.000 0.837 269 G HN 0.300 nan 8.290 nan 0.000 0.505 270 M N 1.513 121.336 119.600 0.371 0.000 2.259 270 M HA 0.407 4.886 4.480 -0.001 0.000 0.304 270 M C 0.341 176.688 176.300 0.080 0.000 1.019 270 M CA -1.021 54.392 55.300 0.187 0.000 0.922 270 M CB 1.880 34.574 32.600 0.157 0.000 1.600 270 M HN 0.544 nan 8.290 nan 0.000 0.433 271 E N 2.414 122.636 120.200 0.037 0.000 2.424 271 E HA 0.065 4.415 4.350 -0.001 0.000 0.237 271 E C -1.077 175.445 176.600 -0.130 0.000 1.381 271 E CA -0.016 56.396 56.400 0.020 0.000 1.587 271 E CB -1.152 28.556 29.700 0.013 0.000 1.398 271 E HN 0.797 nan 8.360 nan 0.000 0.439 272 N N 3.615 122.195 118.700 -0.200 0.000 2.447 272 N HA 0.042 4.782 4.740 -0.001 0.000 0.263 272 N C -2.377 172.972 175.510 -0.268 0.000 1.226 272 N CA -0.819 52.055 53.050 -0.294 0.000 0.906 272 N CB 0.411 38.615 38.487 -0.472 0.000 1.060 272 N HN 0.222 nan 8.380 nan 0.000 0.468 273 P HA -0.031 nan 4.420 nan 0.000 0.268 273 P C 0.073 177.250 177.300 -0.204 0.000 1.204 273 P CA -0.083 62.730 63.100 -0.478 0.000 0.768 273 P CB 0.574 31.847 31.700 -0.712 0.000 0.842 274 C N 0.934 120.166 119.300 -0.113 0.000 5.467 274 C HA -0.198 4.261 4.460 -0.001 0.000 0.269 274 C C 0.458 175.416 174.990 -0.053 0.000 1.868 274 C CA 0.671 59.707 59.018 0.029 0.000 1.676 274 C CB -2.454 25.335 27.740 0.082 0.000 2.513 274 C HN 0.661 nan 8.230 nan 0.000 0.533 275 L N 1.081 122.235 121.223 -0.116 0.000 2.487 275 L HA 0.437 4.776 4.340 -0.001 0.000 0.261 275 L C 0.064 176.922 176.870 -0.019 0.000 1.223 275 L CA 0.416 55.211 54.840 -0.074 0.000 0.883 275 L CB 0.609 42.674 42.059 0.010 0.000 1.065 275 L HN 0.177 nan 8.230 nan 0.000 0.488 276 T N 3.377 117.829 114.554 -0.170 0.000 2.902 276 T HA 0.282 4.631 4.350 -0.001 0.000 0.301 276 T C -0.267 174.521 174.700 0.146 0.000 1.012 276 T CA 0.753 62.837 62.100 -0.028 0.000 1.151 276 T CB -0.064 68.767 68.868 -0.061 0.000 0.946 276 T HN 0.148 nan 8.240 nan 0.000 0.542 277 F N 3.529 123.378 119.950 -0.169 0.000 2.408 277 F HA 0.549 5.076 4.527 -0.001 0.000 0.344 277 F C 0.459 176.089 175.800 -0.284 0.000 1.112 277 F CA -1.413 56.388 58.000 -0.333 0.000 1.096 277 F CB 1.030 39.749 39.000 -0.470 0.000 1.129 277 F HN 0.288 nan 8.300 nan 0.000 0.486 278 V N -0.317 119.467 119.914 -0.216 0.000 3.007 278 V HA 0.639 4.759 4.120 -0.001 0.000 0.311 278 V C -0.247 175.825 176.094 -0.037 0.000 1.120 278 V CA -0.896 61.378 62.300 -0.044 0.000 0.980 278 V CB 1.385 33.165 31.823 -0.071 0.000 1.033 278 V HN 0.697 nan 8.190 nan 0.000 0.429 279 T N 3.368 118.051 114.554 0.215 0.000 2.901 279 T HA 0.360 4.710 4.350 -0.001 0.000 0.301 279 T C -1.119 173.678 174.700 0.161 0.000 1.012 279 T CA -0.661 61.570 62.100 0.219 0.000 1.135 279 T CB 1.123 70.116 68.868 0.208 0.000 0.936 279 T HN 0.853 nan 8.240 nan 0.000 0.539 280 P HA -0.012 nan 4.420 nan 0.000 0.234 280 P C 1.282 178.667 177.300 0.143 0.000 1.167 280 P CA 0.716 63.893 63.100 0.127 0.000 0.763 280 P CB -0.365 31.376 31.700 0.067 0.000 0.835 281 T N -3.067 111.585 114.554 0.163 0.000 3.098 281 T HA -0.011 4.338 4.350 -0.001 0.000 0.266 281 T C 1.696 176.519 174.700 0.205 0.000 1.145 281 T CA 0.430 62.644 62.100 0.190 0.000 1.092 281 T CB -1.114 67.933 68.868 0.298 0.000 0.908 281 T HN 0.080 nan 8.240 nan 0.000 0.526 282 L N -0.033 121.329 121.223 0.231 0.000 2.478 282 L HA 0.259 4.598 4.340 -0.001 0.000 0.223 282 L C 1.135 178.117 176.870 0.187 0.000 1.140 282 L CA 0.406 55.407 54.840 0.268 0.000 0.842 282 L CB -0.446 41.876 42.059 0.439 0.000 0.953 282 L HN 0.314 nan 8.230 nan 0.000 0.452 283 L N 0.850 122.147 121.223 0.123 0.000 2.437 283 L HA 0.120 4.460 4.340 -0.001 0.000 0.243 283 L C 1.677 178.561 176.870 0.023 0.000 1.346 283 L CA -0.439 54.413 54.840 0.021 0.000 1.233 283 L CB 0.010 42.076 42.059 0.013 0.000 1.436 283 L HN 0.099 nan 8.230 nan 0.000 0.416 284 A N 0.796 123.636 122.820 0.033 0.000 2.066 284 A HA 0.202 4.522 4.320 -0.001 0.000 0.218 284 A C 1.938 179.532 177.584 0.017 0.000 1.157 284 A CA 1.028 53.081 52.037 0.026 0.000 0.670 284 A CB -0.146 18.873 19.000 0.031 0.000 0.804 284 A HN 0.776 nan 8.150 nan 0.000 0.453 285 G N -0.244 108.572 108.800 0.028 0.000 2.213 285 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.236 285 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.236 285 G C 0.284 175.261 174.900 0.129 0.000 0.991 285 G CA 0.955 46.080 45.100 0.042 0.000 0.629 285 G HN 0.947 nan 8.290 nan 0.000 0.517 286 D N -0.407 120.064 120.400 0.117 0.000 2.556 286 D HA 0.235 4.874 4.640 -0.001 0.000 0.237 286 D C 0.990 177.343 176.300 0.087 0.000 1.296 286 D CA 0.379 54.459 54.000 0.133 0.000 0.807 286 D CB -0.413 40.417 40.800 0.050 0.000 1.084 286 D HN 0.494 nan 8.370 nan 0.000 0.510 287 K N -0.152 120.285 120.400 0.063 0.000 3.407 287 K HA -0.224 4.095 4.320 -0.001 0.000 0.312 287 K C 1.114 177.773 176.600 0.100 0.000 1.302 287 K CA 1.076 57.392 56.287 0.048 0.000 0.931 287 K CB -2.336 30.163 32.500 -0.001 0.000 1.257 287 K HN 0.339 nan 8.250 nan 0.000 0.454 288 S N 0.254 115.993 115.700 0.065 0.000 2.515 288 S HA -0.016 4.454 4.470 -0.001 0.000 0.231 288 S C 1.268 175.964 174.600 0.160 0.000 0.987 288 S CA 0.528 58.759 58.200 0.051 0.000 0.936 288 S CB -0.035 63.072 63.200 -0.154 0.000 0.766 288 S HN 0.408 nan 8.310 nan 0.000 0.528 289 L N 2.364 123.689 121.223 0.170 0.000 2.791 289 L HA 0.289 4.628 4.340 -0.001 0.000 0.239 289 L C 1.850 178.877 176.870 0.262 0.000 1.203 289 L CA 0.183 55.151 54.840 0.213 0.000 1.002 289 L CB -0.168 42.007 42.059 0.193 0.000 1.295 289 L HN 0.409 nan 8.230 nan 0.000 0.504 290 S N -0.766 115.103 115.700 0.281 0.000 2.515 290 S HA -0.143 4.326 4.470 -0.001 0.000 0.231 290 S C 1.749 176.516 174.600 0.278 0.000 0.987 290 S CA 0.686 59.069 58.200 0.306 0.000 0.936 290 S CB -0.455 62.929 63.200 0.306 0.000 0.766 290 S HN 0.663 nan 8.310 nan 0.000 0.528 291 N N 2.222 121.083 118.700 0.270 0.000 2.272 291 N HA -0.124 4.616 4.740 -0.001 0.000 0.185 291 N C 1.510 177.149 175.510 0.215 0.000 1.014 291 N CA 1.456 54.646 53.050 0.234 0.000 0.870 291 N CB -0.799 37.804 38.487 0.193 0.000 0.975 291 N HN 0.421 nan 8.380 nan 0.000 0.433 292 V N 1.628 121.661 119.914 0.199 0.000 2.407 292 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 292 V C 2.586 178.815 176.094 0.226 0.000 1.055 292 V CA 0.985 63.397 62.300 0.186 0.000 1.049 292 V CB -0.397 31.514 31.823 0.147 0.000 0.662 292 V HN 0.225 nan 8.190 nan 0.000 0.455 293 I N 0.786 121.473 120.570 0.195 0.000 2.252 293 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 293 I C 2.724 178.956 176.117 0.191 0.000 1.102 293 I CA 1.847 63.250 61.300 0.171 0.000 1.385 293 I CB -1.731 36.352 38.000 0.138 0.000 1.064 293 I HN 0.307 nan 8.210 nan 0.000 0.414 294 A N 0.124 123.061 122.820 0.193 0.000 1.940 294 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 294 A C 2.300 179.991 177.584 0.179 0.000 1.176 294 A CA 2.066 54.201 52.037 0.163 0.000 0.631 294 A CB -1.100 18.002 19.000 0.169 0.000 0.814 294 A HN 0.548 nan 8.150 nan 0.000 0.446 295 H N -0.300 118.848 119.070 0.130 0.000 2.293 295 H HA -0.100 4.456 4.556 -0.001 0.000 0.300 295 H C 2.028 177.452 175.328 0.161 0.000 1.082 295 H CA 1.910 58.029 56.048 0.118 0.000 1.308 295 H CB 0.103 29.952 29.762 0.146 0.000 1.375 295 H HN 0.375 nan 8.280 nan 0.000 0.495 296 E N 0.524 120.951 120.200 0.380 0.000 2.077 296 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 296 E C 2.570 179.372 176.600 0.337 0.000 0.989 296 E CA 1.047 57.692 56.400 0.408 0.000 0.800 296 E CB -0.325 29.608 29.700 0.388 0.000 0.746 296 E HN 0.604 nan 8.360 nan 0.000 0.452 297 I N 1.194 121.896 120.570 0.219 0.000 2.163 297 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 297 I C 2.294 178.593 176.117 0.304 0.000 1.085 297 I CA 1.216 62.560 61.300 0.072 0.000 1.347 297 I CB -0.252 37.693 38.000 -0.093 0.000 1.044 297 I HN -0.018 nan 8.210 nan 0.000 0.408 298 S N -0.648 115.193 115.700 0.235 0.000 2.400 298 S HA -0.218 4.251 4.470 -0.001 0.000 0.232 298 S C 1.898 176.699 174.600 0.336 0.000 1.025 298 S CA 1.009 59.377 58.200 0.279 0.000 0.993 298 S CB -0.506 62.723 63.200 0.049 0.000 0.808 298 S HN 0.430 nan 8.310 nan 0.000 0.478 299 H N 1.524 120.701 119.070 0.178 0.000 2.489 299 H HA 0.055 4.611 4.556 -0.001 0.000 0.293 299 H C 2.167 177.549 175.328 0.091 0.000 1.066 299 H CA 1.028 57.148 56.048 0.121 0.000 1.305 299 H CB -0.374 29.436 29.762 0.079 0.000 1.386 299 H HN 0.323 nan 8.280 nan 0.000 0.551 300 S N -0.431 115.386 115.700 0.194 0.000 2.465 300 S HA -0.151 4.318 4.470 -0.001 0.000 0.241 300 S C 1.620 176.096 174.600 -0.207 0.000 1.000 300 S CA 0.737 58.839 58.200 -0.164 0.000 0.964 300 S CB -0.007 63.030 63.200 -0.271 0.000 0.763 300 S HN 0.550 nan 8.310 nan 0.000 0.512 301 W N 1.088 122.509 121.300 0.200 0.000 3.103 301 W HA 0.144 4.803 4.660 -0.001 0.000 0.258 301 W C 0.687 177.255 176.519 0.081 0.000 1.001 301 W CA 0.334 57.755 57.345 0.125 0.000 1.940 301 W CB -1.089 28.427 29.460 0.094 0.000 1.116 301 W HN 0.151 nan 8.180 nan 0.000 0.600 302 T N -0.292 114.484 114.554 0.370 0.000 2.863 302 T HA 0.564 4.914 4.350 -0.001 0.000 0.299 302 T C 0.651 175.525 174.700 0.290 0.000 0.973 302 T CA 0.613 62.862 62.100 0.248 0.000 0.994 302 T CB 0.640 69.657 68.868 0.249 0.000 0.961 302 T HN 0.404 nan 8.240 nan 0.000 0.552 303 G N 4.206 113.135 108.800 0.215 0.000 3.435 303 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.197 303 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.197 303 G C 0.962 175.951 174.900 0.148 0.000 1.497 303 G CA -0.165 45.078 45.100 0.239 0.000 1.043 303 G HN 0.524 nan 8.290 nan 0.000 0.466 304 N N 0.555 119.316 118.700 0.101 0.000 2.395 304 N HA 0.297 5.036 4.740 -0.001 0.000 0.175 304 N C 2.124 177.751 175.510 0.196 0.000 1.029 304 N CA 0.956 54.022 53.050 0.026 0.000 0.897 304 N CB 0.110 38.445 38.487 -0.253 0.000 0.991 304 N HN 0.488 nan 8.380 nan 0.000 0.441 305 L N -0.309 120.989 121.223 0.124 0.000 2.356 305 L HA 0.220 4.560 4.340 -0.001 0.000 0.193 305 L C 0.044 176.838 176.870 -0.127 0.000 1.087 305 L CA 0.333 55.136 54.840 -0.063 0.000 0.817 305 L CB 0.273 42.214 42.059 -0.197 0.000 1.035 305 L HN -0.171 nan 8.230 nan 0.000 0.482 306 V N 0.613 120.467 119.914 -0.100 0.000 2.383 306 V HA 0.284 4.404 4.120 -0.001 0.000 0.275 306 V C -0.306 175.746 176.094 -0.071 0.000 1.036 306 V CA -0.195 62.016 62.300 -0.148 0.000 0.889 306 V CB 1.144 32.782 31.823 -0.308 0.000 0.985 306 V HN 0.197 nan 8.190 nan 0.000 0.459 307 T N 4.748 119.258 114.554 -0.074 0.000 2.861 307 T HA 0.330 4.680 4.350 -0.001 0.000 0.287 307 T C -0.007 174.641 174.700 -0.088 0.000 1.003 307 T CA -0.727 61.360 62.100 -0.021 0.000 0.977 307 T CB 0.982 69.859 68.868 0.016 0.000 0.996 307 T HN 0.862 nan 8.240 nan 0.000 0.448 308 N N 2.525 121.173 118.700 -0.087 0.000 2.412 308 N HA -0.005 4.734 4.740 -0.001 0.000 0.258 308 N C 0.889 176.273 175.510 -0.210 0.000 1.236 308 N CA -0.339 52.627 53.050 -0.139 0.000 0.882 308 N CB 1.330 39.769 38.487 -0.079 0.000 1.066 308 N HN 0.582 nan 8.380 nan 0.000 0.465 309 K N 1.073 121.375 120.400 -0.164 0.000 2.103 309 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 309 K C 0.621 177.117 176.600 -0.173 0.000 1.052 309 K CA 1.309 57.505 56.287 -0.152 0.000 0.945 309 K CB 0.094 32.517 32.500 -0.128 0.000 0.722 309 K HN 0.861 nan 8.250 nan 0.000 0.443 310 T N -5.048 109.441 114.554 -0.107 0.000 2.865 310 T HA 0.210 4.560 4.350 -0.001 0.000 0.294 310 T C 0.053 174.628 174.700 -0.208 0.000 1.119 310 T CA -0.931 61.058 62.100 -0.185 0.000 1.007 310 T CB 0.335 69.225 68.868 0.036 0.000 1.225 310 T HN 0.282 nan 8.240 nan 0.000 0.515 311 W N 0.222 121.538 121.300 0.027 0.000 2.699 311 W HA 0.108 4.767 4.660 -0.001 0.000 0.249 311 W C 1.327 177.850 176.519 0.006 0.000 1.280 311 W CA 0.007 57.335 57.345 -0.028 0.000 1.345 311 W CB -0.174 29.197 29.460 -0.149 0.000 1.128 311 W HN 0.713 nan 8.180 nan 0.000 0.642 312 D N -1.160 119.311 120.400 0.119 0.000 2.221 312 D HA -0.155 4.484 4.640 -0.001 0.000 0.204 312 D C 1.341 177.562 176.300 -0.132 0.000 0.982 312 D CA 1.307 55.273 54.000 -0.056 0.000 0.857 312 D CB -0.365 40.293 40.800 -0.237 0.000 0.934 312 D HN 0.332 nan 8.370 nan 0.000 0.475 313 H N -0.968 118.240 119.070 0.230 0.000 2.487 313 H HA 0.066 4.621 4.556 -0.001 0.000 0.290 313 H C 1.109 176.521 175.328 0.140 0.000 1.081 313 H CA -0.388 55.779 56.048 0.198 0.000 1.116 313 H CB -0.223 29.576 29.762 0.062 0.000 1.560 313 H HN 0.069 nan 8.280 nan 0.000 0.548 314 F N 2.329 122.383 119.950 0.173 0.000 2.192 314 F HA -0.261 4.266 4.527 -0.001 0.000 0.301 314 F C 2.353 178.217 175.800 0.107 0.000 1.079 314 F CA 1.205 59.309 58.000 0.173 0.000 1.303 314 F CB -0.298 38.854 39.000 0.254 0.000 1.024 314 F HN 0.387 nan 8.300 nan 0.000 0.494 315 W N 0.853 122.154 121.300 0.001 0.000 2.364 315 W HA -0.221 4.438 4.660 -0.001 0.000 0.281 315 W C 1.555 178.008 176.519 -0.110 0.000 1.219 315 W CA 1.128 58.389 57.345 -0.140 0.000 1.220 315 W CB -1.478 27.948 29.460 -0.057 0.000 1.127 315 W HN 0.140 nan 8.180 nan 0.000 0.556 316 L N 1.503 122.083 121.223 -1.071 0.000 2.012 316 L HA -0.297 4.043 4.340 -0.001 0.000 0.210 316 L C 2.564 179.276 176.870 -0.264 0.000 1.073 316 L CA 2.061 56.361 54.840 -0.900 0.000 0.748 316 L CB -1.214 40.448 42.059 -0.662 0.000 0.891 316 L HN -0.017 nan 8.230 nan 0.000 0.431 317 N N -0.390 118.193 118.700 -0.195 0.000 2.043 317 N HA -0.172 4.567 4.740 -0.001 0.000 0.193 317 N C 1.851 177.318 175.510 -0.073 0.000 1.037 317 N CA 1.265 54.294 53.050 -0.034 0.000 0.851 317 N CB -0.131 38.380 38.487 0.041 0.000 1.027 317 N HN 0.271 nan 8.380 nan 0.000 0.422 318 E N -0.378 119.616 120.200 -0.343 0.000 2.086 318 E HA 0.080 4.430 4.350 -0.001 0.000 0.190 318 E C 2.099 178.653 176.600 -0.077 0.000 0.975 318 E CA 0.773 56.946 56.400 -0.379 0.000 0.813 318 E CB -0.779 28.291 29.700 -1.050 0.000 0.768 318 E HN 0.387 nan 8.360 nan 0.000 0.457 319 G N 0.853 109.665 108.800 0.019 0.000 2.446 319 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 319 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 319 G C 1.272 176.265 174.900 0.156 0.000 1.168 319 G CA 1.149 46.355 45.100 0.176 0.000 0.771 319 G HN 0.325 nan 8.290 nan 0.000 0.551 320 H N -0.236 118.896 119.070 0.103 0.000 2.389 320 H HA 0.045 4.601 4.556 -0.001 0.000 0.299 320 H C 2.906 178.356 175.328 0.203 0.000 1.081 320 H CA 1.644 57.801 56.048 0.182 0.000 1.345 320 H CB -0.083 29.745 29.762 0.111 0.000 1.393 320 H HN 0.278 nan 8.280 nan 0.000 0.520 321 T N -0.211 114.423 114.554 0.134 0.000 2.777 321 T HA -0.114 4.236 4.350 -0.001 0.000 0.266 321 T C 2.258 176.952 174.700 -0.009 0.000 1.040 321 T CA 1.225 63.251 62.100 -0.123 0.000 1.141 321 T CB -0.339 68.094 68.868 -0.726 0.000 0.868 321 T HN 0.096 nan 8.240 nan 0.000 0.444 322 V N 0.469 120.485 119.914 0.170 0.000 2.407 322 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 322 V C 1.996 178.276 176.094 0.310 0.000 1.055 322 V CA 1.439 63.899 62.300 0.266 0.000 1.049 322 V CB -0.720 31.282 31.823 0.299 0.000 0.662 322 V HN 0.495 nan 8.190 nan 0.000 0.455 323 Y N 0.417 120.955 120.300 0.396 0.000 2.145 323 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 323 Y C 2.210 178.328 175.900 0.363 0.000 1.145 323 Y CA 1.683 60.071 58.100 0.480 0.000 1.148 323 Y CB -0.137 38.562 38.460 0.398 0.000 0.981 323 Y HN 0.133 nan 8.280 nan 0.000 0.507 324 L N -0.021 121.406 121.223 0.340 0.000 2.056 324 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 324 L C 2.549 179.490 176.870 0.119 0.000 1.078 324 L CA 1.755 56.723 54.840 0.213 0.000 0.749 324 L CB -0.716 41.446 42.059 0.172 0.000 0.901 324 L HN 0.307 nan 8.230 nan 0.000 0.433 325 E N 0.860 121.119 120.200 0.099 0.000 2.065 325 E HA -0.292 4.057 4.350 -0.001 0.000 0.201 325 E C 2.293 178.928 176.600 0.058 0.000 1.016 325 E CA 1.681 58.137 56.400 0.093 0.000 0.818 325 E CB 0.016 29.799 29.700 0.139 0.000 0.749 325 E HN 0.398 nan 8.360 nan 0.000 0.453 326 R N -0.917 119.567 120.500 -0.026 0.000 2.148 326 R HA -0.056 4.284 4.340 -0.001 0.000 0.223 326 R C 2.507 178.739 176.300 -0.113 0.000 1.088 326 R CA 0.951 56.978 56.100 -0.123 0.000 0.985 326 R CB -0.213 29.913 30.300 -0.291 0.000 0.880 326 R HN 0.364 nan 8.270 nan 0.000 0.451 327 H N 0.542 119.574 119.070 -0.064 0.000 2.389 327 H HA -0.018 4.537 4.556 -0.001 0.000 0.299 327 H C 2.127 177.461 175.328 0.011 0.000 1.081 327 H CA 1.245 57.269 56.048 -0.040 0.000 1.345 327 H CB 0.070 29.782 29.762 -0.082 0.000 1.393 327 H HN 0.161 nan 8.280 nan 0.000 0.520 328 I N -0.211 120.439 120.570 0.133 0.000 2.179 328 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 328 I C 2.592 178.772 176.117 0.105 0.000 1.088 328 I CA 0.903 62.255 61.300 0.087 0.000 1.357 328 I CB -0.235 37.808 38.000 0.072 0.000 1.051 328 I HN 0.203 nan 8.210 nan 0.000 0.409 329 C N 0.829 120.236 119.300 0.179 0.000 2.435 329 C HA -0.055 4.405 4.460 -0.001 0.000 0.279 329 C C 2.936 178.152 174.990 0.377 0.000 1.321 329 C CA 0.903 60.133 59.018 0.352 0.000 1.752 329 C CB -1.701 26.291 27.740 0.419 0.000 1.959 329 C HN 0.675 nan 8.230 nan 0.000 0.500 330 G N 0.122 109.066 108.800 0.240 0.000 2.408 330 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.217 330 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.217 330 G C 1.861 176.855 174.900 0.157 0.000 1.150 330 G CA 0.309 45.547 45.100 0.230 0.000 0.776 330 G HN 0.455 nan 8.290 nan 0.000 0.542 331 R N -0.135 120.424 120.500 0.099 0.000 2.075 331 R HA 0.101 4.441 4.340 -0.001 0.000 0.232 331 R C 2.639 178.889 176.300 -0.083 0.000 1.126 331 R CA 0.640 56.755 56.100 0.026 0.000 0.963 331 R CB -0.654 29.654 30.300 0.014 0.000 0.858 331 R HN 0.379 nan 8.270 nan 0.000 0.435 332 L N -0.834 120.262 121.223 -0.212 0.000 2.072 332 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 332 L C 1.303 177.731 176.870 -0.737 0.000 1.079 332 L CA 1.310 55.790 54.840 -0.600 0.000 0.752 332 L CB -0.117 41.325 42.059 -1.027 0.000 0.906 332 L HN 0.084 nan 8.230 nan 0.000 0.436 333 F N -1.009 118.955 119.950 0.023 0.000 2.746 333 F HA 0.484 5.011 4.527 -0.001 0.000 0.320 333 F C 0.941 176.748 175.800 0.012 0.000 1.097 333 F CA -0.036 57.922 58.000 -0.070 0.000 1.195 333 F CB 0.390 39.191 39.000 -0.333 0.000 1.056 333 F HN 0.001 nan 8.300 nan 0.000 0.562 334 G N 0.941 109.869 108.800 0.213 0.000 2.587 334 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.686 334 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.686 334 G C 0.079 175.125 174.900 0.244 0.000 1.236 334 G CA -0.314 44.898 45.100 0.186 0.000 0.820 334 G HN 0.080 nan 8.290 nan 0.000 0.645 335 E N 0.215 120.528 120.200 0.190 0.000 2.150 335 E HA -0.014 4.336 4.350 -0.001 0.000 0.193 335 E C 2.281 179.016 176.600 0.225 0.000 0.985 335 E CA 2.059 58.585 56.400 0.210 0.000 0.814 335 E CB -0.104 29.689 29.700 0.154 0.000 0.752 335 E HN 0.594 nan 8.360 nan 0.000 0.466 336 K N -0.735 119.769 120.400 0.174 0.000 2.147 336 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 336 K C 1.887 178.672 176.600 0.310 0.000 1.049 336 K CA 1.188 57.587 56.287 0.187 0.000 0.936 336 K CB -0.279 32.303 32.500 0.136 0.000 0.722 336 K HN 0.166 nan 8.250 nan 0.000 0.446 337 F N 2.002 122.037 119.950 0.143 0.000 2.163 337 F HA -0.070 4.457 4.527 -0.001 0.000 0.297 337 F C 2.421 178.341 175.800 0.201 0.000 1.094 337 F CA 1.087 59.166 58.000 0.133 0.000 1.290 337 F CB -0.123 38.919 39.000 0.070 0.000 1.017 337 F HN -0.156 nan 8.300 nan 0.000 0.483 338 R N -0.641 119.963 120.500 0.173 0.000 2.083 338 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 338 R C 2.434 178.743 176.300 0.015 0.000 1.137 338 R CA 2.082 58.195 56.100 0.022 0.000 0.951 338 R CB -0.700 29.648 30.300 0.081 0.000 0.851 338 R HN 0.424 nan 8.270 nan 0.000 0.434 339 H N -1.157 117.963 119.070 0.083 0.000 2.353 339 H HA -0.181 4.375 4.556 -0.001 0.000 0.300 339 H C 2.002 177.410 175.328 0.133 0.000 1.090 339 H CA 1.714 57.865 56.048 0.172 0.000 1.327 339 H CB -0.234 29.685 29.762 0.262 0.000 1.383 339 H HN 0.262 nan 8.280 nan 0.000 0.508 340 F N 2.235 122.223 119.950 0.063 0.000 2.095 340 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 340 F C 1.899 177.585 175.800 -0.191 0.000 1.104 340 F CA 1.878 59.848 58.000 -0.050 0.000 1.232 340 F CB -0.360 38.609 39.000 -0.053 0.000 0.987 340 F HN 0.055 nan 8.300 nan 0.000 0.475 341 N N 0.055 118.591 118.700 -0.274 0.000 2.216 341 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 341 N C 1.971 177.241 175.510 -0.401 0.000 1.017 341 N CA 0.913 53.716 53.050 -0.411 0.000 0.861 341 N CB -0.355 37.857 38.487 -0.457 0.000 0.986 341 N HN 0.389 nan 8.380 nan 0.000 0.428 342 A N 0.927 123.541 122.820 -0.343 0.000 1.902 342 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 342 A C 2.089 179.610 177.584 -0.106 0.000 1.181 342 A CA 1.034 52.908 52.037 -0.272 0.000 0.623 342 A CB -0.616 18.232 19.000 -0.254 0.000 0.818 342 A HN 0.253 nan 8.150 nan 0.000 0.443 343 L N 0.031 121.103 121.223 -0.252 0.000 2.109 343 L HA 0.076 4.416 4.340 -0.001 0.000 0.207 343 L C 2.375 179.030 176.870 -0.357 0.000 1.086 343 L CA 2.074 56.564 54.840 -0.583 0.000 0.760 343 L CB -1.100 40.656 42.059 -0.506 0.000 0.910 343 L HN 0.294 nan 8.230 nan 0.000 0.437 344 G N -0.755 107.804 108.800 -0.401 0.000 2.469 344 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 344 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 344 G C 1.531 176.316 174.900 -0.192 0.000 1.150 344 G CA 0.660 45.559 45.100 -0.336 0.000 0.763 344 G HN 0.582 nan 8.290 nan 0.000 0.561 345 G N -0.213 108.477 108.800 -0.183 0.000 2.422 345 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 345 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 345 G C 1.597 176.506 174.900 0.016 0.000 1.146 345 G CA 0.883 45.918 45.100 -0.107 0.000 0.769 345 G HN 0.446 nan 8.290 nan 0.000 0.547 346 W N 2.012 123.247 121.300 -0.109 0.000 2.358 346 W HA -0.087 4.573 4.660 -0.001 0.000 0.303 346 W C 2.239 178.704 176.519 -0.090 0.000 1.208 346 W CA 1.564 58.873 57.345 -0.061 0.000 1.274 346 W CB -0.511 28.865 29.460 -0.140 0.000 1.138 346 W HN 0.224 nan 8.180 nan 0.000 0.515 347 G N 0.638 109.463 108.800 0.042 0.000 2.440 347 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 347 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 347 G C 1.369 176.202 174.900 -0.113 0.000 1.154 347 G CA 1.006 46.081 45.100 -0.040 0.000 0.767 347 G HN 0.216 nan 8.290 nan 0.000 0.552 348 E N 0.027 120.161 120.200 -0.110 0.000 2.106 348 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 348 E C 2.480 178.994 176.600 -0.144 0.000 0.984 348 E CA 0.496 56.829 56.400 -0.112 0.000 0.806 348 E CB -0.368 29.271 29.700 -0.101 0.000 0.750 348 E HN 0.401 nan 8.360 nan 0.000 0.458 349 L N 1.591 122.699 121.223 -0.192 0.000 2.046 349 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 349 L C 2.209 178.897 176.870 -0.303 0.000 1.077 349 L CA 1.770 56.458 54.840 -0.253 0.000 0.747 349 L CB -0.496 41.344 42.059 -0.365 0.000 0.896 349 L HN 0.045 nan 8.230 nan 0.000 0.432 350 Q N -0.558 119.014 119.800 -0.380 0.000 2.077 350 Q HA -0.245 4.095 4.340 -0.001 0.000 0.206 350 Q C 1.985 177.885 176.000 -0.167 0.000 0.989 350 Q CA 1.923 57.561 55.803 -0.276 0.000 0.853 350 Q CB -0.335 28.284 28.738 -0.198 0.000 0.907 350 Q HN 0.574 nan 8.270 nan 0.000 0.418 351 N N 0.013 118.625 118.700 -0.146 0.000 2.084 351 N HA -0.107 4.633 4.740 -0.001 0.000 0.190 351 N C 1.845 177.272 175.510 -0.138 0.000 1.030 351 N CA 1.492 54.468 53.050 -0.124 0.000 0.849 351 N CB -0.398 38.024 38.487 -0.107 0.000 1.012 351 N HN 0.075 nan 8.380 nan 0.000 0.423 352 S N 0.201 115.820 115.700 -0.135 0.000 2.368 352 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 352 S C 2.231 176.796 174.600 -0.059 0.000 1.029 352 S CA 0.652 58.769 58.200 -0.137 0.000 0.988 352 S CB -0.280 62.891 63.200 -0.049 0.000 0.838 352 S HN 0.084 nan 8.310 nan 0.000 0.462 353 V N 1.949 121.845 119.914 -0.029 0.000 2.343 353 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 353 V C 2.420 178.510 176.094 -0.007 0.000 1.051 353 V CA 1.586 63.895 62.300 0.015 0.000 1.036 353 V CB -0.474 31.309 31.823 -0.068 0.000 0.654 353 V HN 0.409 nan 8.190 nan 0.000 0.451 354 K N -0.402 119.960 120.400 -0.063 0.000 2.097 354 K HA -0.157 4.162 4.320 -0.001 0.000 0.205 354 K C 2.224 178.775 176.600 -0.080 0.000 1.050 354 K CA 1.754 58.004 56.287 -0.063 0.000 0.938 354 K CB -0.189 32.267 32.500 -0.074 0.000 0.718 354 K HN 0.492 nan 8.250 nan 0.000 0.442 355 T N 0.547 115.010 114.554 -0.150 0.000 2.708 355 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 355 T C 1.470 176.027 174.700 -0.237 0.000 1.037 355 T CA 1.362 63.317 62.100 -0.242 0.000 1.146 355 T CB -0.235 68.395 68.868 -0.397 0.000 0.865 355 T HN 0.116 nan 8.240 nan 0.000 0.435 356 F N 1.233 121.105 119.950 -0.129 0.000 2.293 356 F HA 0.343 4.869 4.527 -0.001 0.000 0.297 356 F C 1.763 177.494 175.800 -0.114 0.000 1.089 356 F CA 0.561 58.416 58.000 -0.241 0.000 1.377 356 F CB -0.587 38.217 39.000 -0.328 0.000 1.051 356 F HN 0.366 nan 8.300 nan 0.000 0.511 357 G N 0.395 109.274 108.800 0.131 0.000 2.770 357 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.686 357 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.686 357 G C 0.493 175.455 174.900 0.102 0.000 1.180 357 G CA -0.189 44.971 45.100 0.099 0.000 0.767 357 G HN 0.383 nan 8.290 nan 0.000 0.646 358 E N -0.482 119.745 120.200 0.045 0.000 2.418 358 E HA -0.087 4.262 4.350 -0.001 0.000 0.197 358 E C 1.718 178.328 176.600 0.016 0.000 1.026 358 E CA 1.609 58.020 56.400 0.018 0.000 0.862 358 E CB -0.074 29.620 29.700 -0.010 0.000 0.799 358 E HN 0.942 nan 8.360 nan 0.000 0.518 359 T N -2.595 111.975 114.554 0.027 0.000 3.069 359 T HA 0.044 4.394 4.350 -0.001 0.000 0.252 359 T C 0.246 174.941 174.700 -0.007 0.000 1.053 359 T CA -0.419 61.681 62.100 0.000 0.000 0.964 359 T CB -0.426 68.431 68.868 -0.018 0.000 1.005 359 T HN 0.262 nan 8.240 nan 0.000 0.532 360 H N 3.021 122.050 119.070 -0.069 0.000 2.764 360 H HA 0.238 4.794 4.556 -0.001 0.000 0.341 360 H C -1.393 173.825 175.328 -0.184 0.000 1.072 360 H CA -1.513 54.445 56.048 -0.149 0.000 1.444 360 H CB 1.321 31.003 29.762 -0.133 0.000 1.458 360 H HN -0.077 nan 8.280 nan 0.000 0.572 361 P HA -0.178 nan 4.420 nan 0.000 0.222 361 P C 0.644 178.018 177.300 0.124 0.000 1.147 361 P CA 0.979 64.010 63.100 -0.115 0.000 0.790 361 P CB 0.134 31.714 31.700 -0.199 0.000 0.780 362 F N 0.529 120.488 119.950 0.015 0.000 2.802 362 F HA 0.018 4.544 4.527 -0.001 0.000 0.300 362 F C 1.985 177.594 175.800 -0.319 0.000 1.168 362 F CA 0.825 58.650 58.000 -0.290 0.000 1.433 362 F CB -1.911 36.578 39.000 -0.851 0.000 1.115 362 F HN 0.063 nan 8.300 nan 0.000 0.582 363 T N -3.281 111.275 114.554 0.002 0.000 3.086 363 T HA 0.111 4.461 4.350 -0.001 0.000 0.250 363 T C 0.716 175.426 174.700 0.016 0.000 1.074 363 T CA -0.240 61.876 62.100 0.026 0.000 0.988 363 T CB -0.127 68.773 68.868 0.054 0.000 0.988 363 T HN -0.023 nan 8.240 nan 0.000 0.530 364 K N 0.545 120.966 120.400 0.035 0.000 2.258 364 K HA 0.324 4.643 4.320 -0.001 0.000 0.264 364 K C 0.806 177.411 176.600 0.010 0.000 1.007 364 K CA -0.558 55.745 56.287 0.025 0.000 0.941 364 K CB 1.069 33.613 32.500 0.073 0.000 0.966 364 K HN -0.041 nan 8.250 nan 0.000 0.480 365 L N 2.728 123.911 121.223 -0.067 0.000 2.023 365 L HA -0.035 4.305 4.340 -0.001 0.000 0.205 365 L C 0.233 177.060 176.870 -0.073 0.000 1.073 365 L CA 1.526 56.268 54.840 -0.163 0.000 0.745 365 L CB 0.383 42.181 42.059 -0.435 0.000 0.900 365 L HN 0.309 nan 8.230 nan 0.000 0.435 366 V N 1.922 121.811 119.914 -0.041 0.000 2.364 366 V HA 0.328 4.447 4.120 -0.001 0.000 0.272 366 V C 0.066 176.249 176.094 0.149 0.000 1.036 366 V CA -0.496 61.883 62.300 0.131 0.000 0.880 366 V CB 0.830 32.795 31.823 0.235 0.000 0.991 366 V HN 0.136 nan 8.190 nan 0.000 0.460 367 V N 1.440 121.425 119.914 0.119 0.000 2.966 367 V HA 0.711 4.830 4.120 -0.001 0.000 0.317 367 V C -0.442 175.702 176.094 0.084 0.000 1.070 367 V CA -0.693 61.674 62.300 0.112 0.000 1.008 367 V CB 2.071 33.954 31.823 0.100 0.000 1.070 367 V HN 0.743 nan 8.190 nan 0.000 0.457 368 D N 1.801 122.259 120.400 0.097 0.000 2.453 368 D HA 0.382 5.022 4.640 -0.001 0.000 0.238 368 D C 0.227 176.582 176.300 0.092 0.000 1.088 368 D CA -0.276 53.772 54.000 0.080 0.000 0.854 368 D CB 1.202 42.046 40.800 0.072 0.000 1.076 368 D HN 0.624 nan 8.370 nan 0.000 0.533 369 L N 2.673 123.943 121.223 0.078 0.000 2.653 369 L HA 0.145 4.485 4.340 -0.001 0.000 0.232 369 L C 0.677 177.609 176.870 0.102 0.000 1.169 369 L CA -0.010 54.873 54.840 0.071 0.000 0.951 369 L CB -0.106 41.982 42.059 0.048 0.000 1.181 369 L HN 0.264 nan 8.230 nan 0.000 0.460 370 T N 1.091 115.705 114.554 0.100 0.000 2.831 370 T HA -0.052 4.298 4.350 -0.001 0.000 0.291 370 T C 0.448 175.225 174.700 0.129 0.000 0.981 370 T CA 0.182 62.344 62.100 0.105 0.000 1.174 370 T CB 0.078 68.992 68.868 0.076 0.000 0.929 370 T HN 0.321 nan 8.240 nan 0.000 0.532 371 D N 0.697 121.204 120.400 0.177 0.000 3.012 371 D HA -0.146 4.494 4.640 -0.001 0.000 0.222 371 D C -0.241 176.202 176.300 0.238 0.000 1.167 371 D CA 0.739 54.878 54.000 0.230 0.000 0.854 371 D CB -0.767 40.117 40.800 0.140 0.000 1.107 371 D HN 0.399 nan 8.370 nan 0.000 0.421 372 I N 0.948 121.614 120.570 0.161 0.000 2.406 372 I HA 0.160 4.330 4.170 -0.001 0.000 0.290 372 I C 0.606 176.471 176.117 -0.419 0.000 0.999 372 I CA -0.798 60.485 61.300 -0.028 0.000 1.124 372 I CB 1.708 39.729 38.000 0.034 0.000 1.289 372 I HN -0.208 nan 8.210 nan 0.000 0.441 373 D N 9.007 128.907 120.400 -0.833 0.000 2.382 373 D HA 0.111 4.751 4.640 -0.001 0.000 0.259 373 D C -1.668 174.306 176.300 -0.543 0.000 1.224 373 D CA -1.642 51.670 54.000 -1.145 0.000 0.894 373 D CB 1.638 41.929 40.800 -0.848 0.000 1.127 373 D HN 0.194 nan 8.370 nan 0.000 0.487 374 P HA -0.137 nan 4.420 nan 0.000 0.217 374 P C 0.674 177.777 177.300 -0.328 0.000 1.148 374 P CA 0.901 63.759 63.100 -0.402 0.000 0.828 374 P CB 0.299 31.693 31.700 -0.509 0.000 0.783 375 D N -1.286 118.953 120.400 -0.268 0.000 2.264 375 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 375 D C 1.816 178.079 176.300 -0.061 0.000 0.966 375 D CA 0.826 54.748 54.000 -0.129 0.000 0.864 375 D CB -0.256 40.515 40.800 -0.049 0.000 0.933 375 D HN 0.065 nan 8.370 nan 0.000 0.499 376 V N 0.849 120.690 119.914 -0.122 0.000 2.788 376 V HA -0.053 4.067 4.120 -0.001 0.000 0.251 376 V C 2.351 178.382 176.094 -0.106 0.000 1.068 376 V CA 1.375 63.653 62.300 -0.036 0.000 1.090 376 V CB -0.212 31.612 31.823 0.001 0.000 0.710 376 V HN 0.148 nan 8.190 nan 0.000 0.467 377 A N -1.254 121.296 122.820 -0.450 0.000 2.021 377 A HA -0.007 4.312 4.320 -0.001 0.000 0.216 377 A C 1.148 178.566 177.584 -0.277 0.000 1.163 377 A CA 0.101 51.587 52.037 -0.919 0.000 0.676 377 A CB -0.420 17.899 19.000 -1.136 0.000 0.818 377 A HN 0.516 nan 8.150 nan 0.000 0.453 378 Y N 2.125 122.313 120.300 -0.187 0.000 2.717 378 Y HA 0.293 4.843 4.550 -0.001 0.000 0.330 378 Y C 0.656 176.639 175.900 0.139 0.000 1.217 378 Y CA 0.575 58.661 58.100 -0.023 0.000 1.506 378 Y CB 0.309 38.736 38.460 -0.055 0.000 1.268 378 Y HN 0.417 nan 8.280 nan 0.000 0.561 379 S N 1.409 116.832 115.700 -0.462 0.000 2.683 379 S HA 0.245 4.714 4.470 -0.001 0.000 0.269 379 S C 0.030 174.484 174.600 -0.244 0.000 1.165 379 S CA -0.355 57.688 58.200 -0.261 0.000 0.840 379 S CB 0.732 64.065 63.200 0.223 0.000 1.169 379 S HN 0.463 nan 8.310 nan 0.000 0.490 380 S N 0.315 115.934 115.700 -0.134 0.000 2.555 380 S HA 0.018 4.487 4.470 -0.001 0.000 0.230 380 S C 1.769 176.449 174.600 0.133 0.000 0.978 380 S CA 0.807 58.971 58.200 -0.060 0.000 0.934 380 S CB -0.554 62.570 63.200 -0.127 0.000 0.766 380 S HN 0.556 nan 8.310 nan 0.000 0.533 381 V N 3.291 123.291 119.914 0.143 0.000 2.255 381 V HA -0.141 3.978 4.120 -0.001 0.000 0.247 381 V C -0.341 175.855 176.094 0.170 0.000 1.051 381 V CA 1.818 64.201 62.300 0.138 0.000 1.018 381 V CB -1.654 30.250 31.823 0.135 0.000 0.641 381 V HN 0.367 nan 8.190 nan 0.000 0.445 382 P HA -0.164 nan 4.420 nan 0.000 0.218 382 P C 1.264 178.642 177.300 0.129 0.000 1.149 382 P CA 1.681 64.885 63.100 0.174 0.000 0.817 382 P CB -0.111 31.684 31.700 0.158 0.000 0.785 383 Y N 0.860 121.212 120.300 0.086 0.000 2.133 383 Y HA -0.128 4.422 4.550 -0.001 0.000 0.287 383 Y C 2.707 178.709 175.900 0.170 0.000 1.134 383 Y CA 1.460 59.626 58.100 0.110 0.000 1.133 383 Y CB -0.865 37.630 38.460 0.058 0.000 0.987 383 Y HN -0.058 nan 8.280 nan 0.000 0.502 384 E N -0.223 120.159 120.200 0.303 0.000 2.166 384 E HA -0.066 4.283 4.350 -0.001 0.000 0.192 384 E C 1.986 178.750 176.600 0.273 0.000 0.967 384 E CA 0.394 56.951 56.400 0.262 0.000 0.840 384 E CB -0.147 29.624 29.700 0.118 0.000 0.795 384 E HN 0.377 nan 8.360 nan 0.000 0.470 385 K N 0.823 121.328 120.400 0.175 0.000 2.097 385 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 385 K C 2.073 178.791 176.600 0.197 0.000 1.050 385 K CA 1.284 57.667 56.287 0.160 0.000 0.938 385 K CB -0.216 32.312 32.500 0.045 0.000 0.718 385 K HN 0.107 nan 8.250 nan 0.000 0.442 386 G N 0.717 109.632 108.800 0.193 0.000 2.421 386 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.216 386 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.216 386 G C 1.318 176.365 174.900 0.245 0.000 1.171 386 G CA 0.697 45.942 45.100 0.242 0.000 0.775 386 G HN 0.405 nan 8.290 nan 0.000 0.543 387 F N 2.498 122.565 119.950 0.196 0.000 2.102 387 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 387 F C 2.790 178.740 175.800 0.251 0.000 1.105 387 F CA 1.497 59.626 58.000 0.214 0.000 1.239 387 F CB -0.332 38.787 39.000 0.197 0.000 0.991 387 F HN 0.229 nan 8.300 nan 0.000 0.474 388 A N 0.532 123.551 122.820 0.331 0.000 1.908 388 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 388 A C 2.123 179.780 177.584 0.122 0.000 1.181 388 A CA 1.833 54.102 52.037 0.387 0.000 0.627 388 A CB -1.328 18.106 19.000 0.723 0.000 0.818 388 A HN 0.529 nan 8.150 nan 0.000 0.445 389 L N -0.146 121.039 121.223 -0.064 0.000 2.017 389 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 389 L C 2.288 178.901 176.870 -0.429 0.000 1.073 389 L CA 1.781 56.247 54.840 -0.623 0.000 0.745 389 L CB -0.597 41.139 42.059 -0.539 0.000 0.894 389 L HN 0.422 nan 8.230 nan 0.000 0.432 390 L N -2.020 119.017 121.223 -0.309 0.000 2.093 390 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 390 L C 2.460 178.946 176.870 -0.639 0.000 1.085 390 L CA 1.108 55.677 54.840 -0.452 0.000 0.755 390 L CB -0.726 41.095 42.059 -0.397 0.000 0.904 390 L HN 0.256 nan 8.230 nan 0.000 0.435 391 F N 0.103 119.659 119.950 -0.657 0.000 2.134 391 F HA -0.275 4.251 4.527 -0.001 0.000 0.299 391 F C 2.609 178.153 175.800 -0.427 0.000 1.097 391 F CA 1.268 58.943 58.000 -0.541 0.000 1.264 391 F CB -0.620 37.967 39.000 -0.688 0.000 1.001 391 F HN 0.037 nan 8.300 nan 0.000 0.479 392 Y N 0.571 120.588 120.300 -0.472 0.000 2.128 392 Y HA -0.235 4.315 4.550 -0.001 0.000 0.284 392 Y C 2.081 177.631 175.900 -0.584 0.000 1.154 392 Y CA 1.979 59.776 58.100 -0.506 0.000 1.149 392 Y CB -0.848 37.362 38.460 -0.417 0.000 0.976 392 Y HN 0.104 nan 8.280 nan 0.000 0.505 393 L N 0.381 121.091 121.223 -0.856 0.000 2.046 393 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 393 L C 2.648 178.937 176.870 -0.968 0.000 1.077 393 L CA 1.929 56.197 54.840 -0.955 0.000 0.747 393 L CB -0.763 40.850 42.059 -0.743 0.000 0.896 393 L HN 0.343 nan 8.230 nan 0.000 0.432 394 E N 0.246 119.776 120.200 -1.117 0.000 2.070 394 E HA -0.311 4.038 4.350 -0.001 0.000 0.197 394 E C 2.122 178.456 176.600 -0.443 0.000 1.004 394 E CA 1.769 57.744 56.400 -0.708 0.000 0.805 394 E CB -0.030 29.445 29.700 -0.374 0.000 0.744 394 E HN 0.573 nan 8.360 nan 0.000 0.451 395 Q N -0.187 119.289 119.800 -0.539 0.000 2.123 395 Q HA -0.113 4.227 4.340 -0.001 0.000 0.199 395 Q C 2.315 178.083 176.000 -0.387 0.000 0.966 395 Q CA 0.835 56.378 55.803 -0.433 0.000 0.845 395 Q CB -0.012 28.425 28.738 -0.503 0.000 0.907 395 Q HN 0.268 nan 8.270 nan 0.000 0.439 396 L N 0.217 121.125 121.223 -0.524 0.000 2.093 396 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 396 L C 1.598 178.232 176.870 -0.393 0.000 1.085 396 L CA 1.604 56.147 54.840 -0.495 0.000 0.755 396 L CB 0.033 41.650 42.059 -0.736 0.000 0.904 396 L HN 0.155 nan 8.230 nan 0.000 0.435 397 L N -1.323 119.646 121.223 -0.425 0.000 2.607 397 L HA 0.353 4.692 4.340 -0.001 0.000 0.228 397 L C 1.178 177.948 176.870 -0.167 0.000 1.123 397 L CA 0.539 55.146 54.840 -0.388 0.000 0.890 397 L CB -0.029 41.609 42.059 -0.701 0.000 1.103 397 L HN 0.447 nan 8.230 nan 0.000 0.468 398 G N -0.946 107.778 108.800 -0.126 0.000 2.183 398 G HA2 0.094 4.054 3.960 -0.001 0.000 0.168 398 G HA3 0.094 4.054 3.960 -0.001 0.000 0.168 398 G C 0.433 175.344 174.900 0.018 0.000 1.008 398 G CA -0.343 44.736 45.100 -0.035 0.000 0.677 398 G HN 0.731 nan 8.290 nan 0.000 0.498 399 G N -0.811 107.998 108.800 0.015 0.000 2.462 399 G HA2 0.389 4.348 3.960 -0.001 0.000 0.685 399 G HA3 0.389 4.348 3.960 -0.001 0.000 0.685 399 G C -1.194 173.825 174.900 0.199 0.000 1.295 399 G CA 0.268 45.411 45.100 0.072 0.000 0.941 399 G HN 0.545 nan 8.290 nan 0.000 0.554 400 P HA -0.059 nan 4.420 nan 0.000 0.217 400 P C 1.536 179.018 177.300 0.303 0.000 1.150 400 P CA 2.097 65.433 63.100 0.392 0.000 0.832 400 P CB -0.084 31.888 31.700 0.452 0.000 0.787 401 E N 0.245 120.570 120.200 0.208 0.000 2.072 401 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 401 E C 2.191 178.908 176.600 0.195 0.000 0.985 401 E CA 0.792 57.284 56.400 0.154 0.000 0.801 401 E CB -1.104 28.662 29.700 0.110 0.000 0.750 401 E HN 0.176 nan 8.360 nan 0.000 0.452 402 I N 0.191 120.905 120.570 0.239 0.000 2.179 402 I HA -0.225 3.945 4.170 -0.001 0.000 0.242 402 I C 2.323 178.697 176.117 0.428 0.000 1.088 402 I CA 1.230 62.717 61.300 0.311 0.000 1.357 402 I CB -0.231 37.956 38.000 0.312 0.000 1.051 402 I HN 0.083 nan 8.210 nan 0.000 0.409 403 F N 0.935 121.069 119.950 0.306 0.000 2.259 403 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 403 F C 2.171 178.183 175.800 0.353 0.000 1.088 403 F CA 1.280 59.499 58.000 0.366 0.000 1.358 403 F CB -0.118 39.040 39.000 0.264 0.000 1.040 403 F HN -0.103 nan 8.300 nan 0.000 0.505 404 L N -0.651 120.773 121.223 0.334 0.000 2.131 404 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 404 L C 2.712 179.598 176.870 0.027 0.000 1.092 404 L CA 1.223 56.155 54.840 0.152 0.000 0.759 404 L CB -1.361 40.712 42.059 0.023 0.000 0.903 404 L HN 0.278 nan 8.230 nan 0.000 0.435 405 G N -0.206 108.630 108.800 0.061 0.000 2.418 405 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.217 405 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.217 405 G C 1.457 176.226 174.900 -0.218 0.000 1.158 405 G CA 0.706 45.823 45.100 0.030 0.000 0.771 405 G HN 0.350 nan 8.290 nan 0.000 0.545 406 F N 1.015 120.601 119.950 -0.607 0.000 2.102 406 F HA 0.038 4.565 4.527 -0.001 0.000 0.298 406 F C 2.305 177.799 175.800 -0.510 0.000 1.105 406 F CA 1.352 58.671 58.000 -1.135 0.000 1.239 406 F CB -0.410 37.926 39.000 -1.105 0.000 0.991 406 F HN 0.097 nan 8.300 nan 0.000 0.474 407 L N 0.627 121.536 121.223 -0.524 0.000 2.042 407 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 407 L C 2.662 179.411 176.870 -0.201 0.000 1.076 407 L CA 2.033 56.684 54.840 -0.315 0.000 0.749 407 L CB -0.603 41.485 42.059 0.049 0.000 0.893 407 L HN 0.221 nan 8.230 nan 0.000 0.432 408 K N -0.629 119.663 120.400 -0.181 0.000 2.057 408 K HA -0.165 4.155 4.320 -0.001 0.000 0.206 408 K C 1.966 178.478 176.600 -0.146 0.000 1.050 408 K CA 1.199 57.408 56.287 -0.130 0.000 0.935 408 K CB -0.135 32.309 32.500 -0.094 0.000 0.715 408 K HN 0.399 nan 8.250 nan 0.000 0.439 409 A N 0.365 123.076 122.820 -0.182 0.000 1.930 409 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 409 A C 2.021 179.481 177.584 -0.206 0.000 1.175 409 A CA 1.286 53.269 52.037 -0.090 0.000 0.627 409 A CB -0.817 18.227 19.000 0.072 0.000 0.815 409 A HN 0.601 nan 8.150 nan 0.000 0.443 410 Y N 0.671 120.697 120.300 -0.457 0.000 2.145 410 Y HA -0.185 4.365 4.550 -0.001 0.000 0.286 410 Y C 2.241 177.917 175.900 -0.373 0.000 1.145 410 Y CA 2.007 59.770 58.100 -0.562 0.000 1.148 410 Y CB -0.504 37.552 38.460 -0.672 0.000 0.981 410 Y HN 0.047 nan 8.280 nan 0.000 0.507 411 V N 0.918 120.617 119.914 -0.358 0.000 2.295 411 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 411 V C 2.228 178.140 176.094 -0.304 0.000 1.049 411 V CA 2.339 64.451 62.300 -0.314 0.000 1.024 411 V CB -0.666 31.125 31.823 -0.053 0.000 0.648 411 V HN 0.443 nan 8.190 nan 0.000 0.447 412 E N -0.042 120.002 120.200 -0.260 0.000 2.058 412 E HA -0.306 4.044 4.350 -0.001 0.000 0.194 412 E C 2.225 178.612 176.600 -0.355 0.000 0.997 412 E CA 1.654 57.913 56.400 -0.236 0.000 0.801 412 E CB -0.191 29.412 29.700 -0.162 0.000 0.746 412 E HN 0.421 nan 8.360 nan 0.000 0.450 413 K N 0.307 120.355 120.400 -0.586 0.000 2.063 413 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 413 K C 0.937 177.025 176.600 -0.853 0.000 1.048 413 K CA 1.379 57.131 56.287 -0.891 0.000 0.928 413 K CB -0.073 31.424 32.500 -1.671 0.000 0.713 413 K HN 0.045 nan 8.250 nan 0.000 0.442 414 F N 0.503 120.163 119.950 -0.482 0.000 2.668 414 F HA 0.383 4.909 4.527 -0.001 0.000 0.301 414 F C 0.138 175.727 175.800 -0.351 0.000 1.106 414 F CA -0.546 57.211 58.000 -0.406 0.000 1.289 414 F CB 0.040 38.732 39.000 -0.513 0.000 1.006 414 F HN -0.266 nan 8.300 nan 0.000 0.535 415 S N 0.136 115.689 115.700 -0.245 0.000 2.552 415 S HA 0.014 4.483 4.470 -0.001 0.000 0.289 415 S C 0.071 174.492 174.600 -0.299 0.000 1.304 415 S CA 0.285 58.231 58.200 -0.423 0.000 1.063 415 S CB -0.324 62.524 63.200 -0.587 0.000 0.848 415 S HN 0.529 nan 8.310 nan 0.000 0.499 416 Y N -0.700 119.557 120.300 -0.073 0.000 4.841 416 Y HA -0.271 4.279 4.550 -0.001 0.000 0.242 416 Y C 0.453 176.328 175.900 -0.043 0.000 1.002 416 Y CA 0.652 58.712 58.100 -0.066 0.000 2.011 416 Y CB -1.909 36.494 38.460 -0.095 0.000 1.554 416 Y HN 0.477 nan 8.280 nan 0.000 0.618 417 K N 0.060 120.481 120.400 0.036 0.000 2.306 417 K HA 0.800 5.120 4.320 -0.001 0.000 0.236 417 K C -0.315 176.265 176.600 -0.033 0.000 1.013 417 K CA -0.922 55.380 56.287 0.025 0.000 0.857 417 K CB 2.054 34.595 32.500 0.068 0.000 1.214 417 K HN -0.105 nan 8.250 nan 0.000 0.449 418 S N 1.358 117.025 115.700 -0.054 0.000 2.519 418 S HA 0.572 5.042 4.470 -0.001 0.000 0.309 418 S C -0.534 173.974 174.600 -0.154 0.000 1.100 418 S CA -0.848 57.292 58.200 -0.101 0.000 1.059 418 S CB 0.543 63.694 63.200 -0.080 0.000 1.008 418 S HN 0.573 nan 8.310 nan 0.000 0.478 419 I N -0.064 120.371 120.570 -0.226 0.000 3.074 419 I HA 0.828 4.997 4.170 -0.001 0.000 0.310 419 I C -0.139 175.795 176.117 -0.306 0.000 1.153 419 I CA -0.880 60.232 61.300 -0.312 0.000 0.993 419 I CB 2.250 39.902 38.000 -0.581 0.000 1.237 419 I HN 0.575 nan 8.210 nan 0.000 0.443 420 T N -1.061 113.292 114.554 -0.335 0.000 2.937 420 T HA 0.353 4.703 4.350 -0.001 0.000 0.283 420 T C 0.852 175.404 174.700 -0.247 0.000 1.012 420 T CA -0.132 61.643 62.100 -0.541 0.000 0.997 420 T CB 1.434 69.983 68.868 -0.531 0.000 1.136 420 T HN 0.692 nan 8.240 nan 0.000 0.551 421 T N 0.867 115.334 114.554 -0.145 0.000 2.759 421 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 421 T C 1.407 176.336 174.700 0.381 0.000 1.042 421 T CA 1.588 63.903 62.100 0.358 0.000 1.140 421 T CB -0.555 68.725 68.868 0.687 0.000 0.864 421 T HN 0.642 nan 8.240 nan 0.000 0.455 422 D N 1.042 121.570 120.400 0.212 0.000 2.178 422 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 422 D C 1.938 178.325 176.300 0.145 0.000 0.974 422 D CA 0.808 54.911 54.000 0.172 0.000 0.841 422 D CB -0.293 40.577 40.800 0.116 0.000 0.953 422 D HN 0.352 nan 8.370 nan 0.000 0.478 423 D N -0.241 120.211 120.400 0.087 0.000 2.117 423 D HA -0.150 4.489 4.640 -0.001 0.000 0.197 423 D C 1.901 178.334 176.300 0.221 0.000 0.987 423 D CA 0.574 54.616 54.000 0.070 0.000 0.829 423 D CB -0.468 40.213 40.800 -0.198 0.000 0.961 423 D HN 0.359 nan 8.370 nan 0.000 0.460 424 W N 2.384 123.721 121.300 0.061 0.000 2.355 424 W HA -0.164 4.496 4.660 -0.001 0.000 0.309 424 W C 2.324 179.060 176.519 0.363 0.000 1.206 424 W CA 1.655 59.159 57.345 0.265 0.000 1.284 424 W CB -0.112 29.454 29.460 0.178 0.000 1.145 424 W HN -0.164 nan 8.180 nan 0.000 0.502 425 K N 0.163 120.696 120.400 0.222 0.000 2.057 425 K HA -0.236 4.084 4.320 -0.001 0.000 0.207 425 K C 1.902 178.458 176.600 -0.074 0.000 1.049 425 K CA 1.909 58.085 56.287 -0.185 0.000 0.931 425 K CB -0.651 31.805 32.500 -0.075 0.000 0.714 425 K HN 0.046 nan 8.250 nan 0.000 0.440 426 D N -0.061 120.373 120.400 0.057 0.000 2.104 426 D HA -0.186 4.454 4.640 -0.001 0.000 0.194 426 D C 1.706 178.128 176.300 0.204 0.000 0.994 426 D CA 1.000 55.062 54.000 0.102 0.000 0.830 426 D CB -0.083 40.806 40.800 0.147 0.000 0.959 426 D HN 0.184 nan 8.370 nan 0.000 0.452 427 F N 0.968 121.022 119.950 0.172 0.000 2.186 427 F HA -0.108 4.418 4.527 -0.001 0.000 0.299 427 F C 2.155 178.082 175.800 0.212 0.000 1.090 427 F CA 0.557 58.698 58.000 0.235 0.000 1.307 427 F CB -0.477 38.774 39.000 0.418 0.000 1.019 427 F HN -0.079 nan 8.300 nan 0.000 0.489 428 L N -0.421 120.789 121.223 -0.022 0.000 2.013 428 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 428 L C 2.099 178.890 176.870 -0.132 0.000 1.073 428 L CA 2.009 56.671 54.840 -0.297 0.000 0.753 428 L CB -1.179 40.460 42.059 -0.700 0.000 0.890 428 L HN 0.193 nan 8.230 nan 0.000 0.432 429 Y N -1.120 119.080 120.300 -0.166 0.000 2.242 429 Y HA -0.221 4.328 4.550 -0.001 0.000 0.291 429 Y C 3.018 178.869 175.900 -0.081 0.000 1.137 429 Y CA 1.793 59.843 58.100 -0.083 0.000 1.181 429 Y CB -0.625 37.781 38.460 -0.091 0.000 0.989 429 Y HN 0.335 nan 8.280 nan 0.000 0.527 430 S N -0.954 114.752 115.700 0.010 0.000 2.348 430 S HA -0.283 4.187 4.470 -0.001 0.000 0.221 430 S C 2.028 176.498 174.600 -0.217 0.000 1.033 430 S CA 1.408 59.558 58.200 -0.083 0.000 1.010 430 S CB -0.770 62.388 63.200 -0.069 0.000 0.891 430 S HN 0.551 nan 8.310 nan 0.000 0.442 431 Y N 0.580 120.551 120.300 -0.548 0.000 2.181 431 Y HA -0.004 4.546 4.550 -0.001 0.000 0.288 431 Y C 0.867 176.415 175.900 -0.587 0.000 1.146 431 Y CA 1.638 59.346 58.100 -0.654 0.000 1.164 431 Y CB -0.193 37.762 38.460 -0.842 0.000 0.982 431 Y HN 0.327 nan 8.280 nan 0.000 0.515 432 F N 1.693 121.558 119.950 -0.142 0.000 2.916 432 F HA 0.194 4.721 4.527 -0.001 0.000 0.294 432 F C 1.637 177.324 175.800 -0.188 0.000 1.189 432 F CA -0.555 57.340 58.000 -0.175 0.000 1.369 432 F CB -0.418 38.467 39.000 -0.193 0.000 0.961 432 F HN 0.063 nan 8.300 nan 0.000 0.508 433 K N -0.975 119.389 120.400 -0.060 0.000 2.113 433 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 433 K C 0.544 177.132 176.600 -0.020 0.000 1.047 433 K CA 1.960 58.228 56.287 -0.032 0.000 0.928 433 K CB -0.209 32.260 32.500 -0.053 0.000 0.716 433 K HN 0.116 nan 8.250 nan 0.000 0.446 434 D N 1.085 121.466 120.400 -0.031 0.000 2.363 434 D HA 0.003 4.643 4.640 -0.001 0.000 0.220 434 D C 0.452 176.746 176.300 -0.010 0.000 0.994 434 D CA 0.835 54.822 54.000 -0.021 0.000 0.890 434 D CB 0.298 41.078 40.800 -0.034 0.000 0.906 434 D HN 0.341 nan 8.370 nan 0.000 0.530 435 K N 0.211 120.609 120.400 -0.003 0.000 2.646 435 K HA 0.133 4.452 4.320 -0.001 0.000 0.206 435 K C 1.197 177.739 176.600 -0.097 0.000 1.069 435 K CA -0.096 56.163 56.287 -0.047 0.000 1.067 435 K CB 1.499 33.962 32.500 -0.063 0.000 0.807 435 K HN -0.158 nan 8.250 nan 0.000 0.482 436 V N 1.172 121.049 119.914 -0.063 0.000 2.490 436 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 436 V C 1.185 177.270 176.094 -0.015 0.000 1.061 436 V CA 2.100 64.363 62.300 -0.062 0.000 1.064 436 V CB -0.021 31.837 31.823 0.058 0.000 0.670 436 V HN 0.358 nan 8.190 nan 0.000 0.461 437 D N -0.365 120.029 120.400 -0.009 0.000 2.144 437 D HA -0.112 4.528 4.640 -0.001 0.000 0.200 437 D C 2.158 178.445 176.300 -0.022 0.000 0.978 437 D CA 1.513 55.517 54.000 0.006 0.000 0.833 437 D CB -0.225 40.575 40.800 0.000 0.000 0.961 437 D HN 0.439 nan 8.370 nan 0.000 0.470 438 V N 1.065 120.932 119.914 -0.078 0.000 2.358 438 V HA -0.177 3.943 4.120 -0.001 0.000 0.246 438 V C 2.626 178.633 176.094 -0.146 0.000 1.047 438 V CA 0.974 63.197 62.300 -0.128 0.000 1.035 438 V CB -0.392 31.319 31.823 -0.188 0.000 0.658 438 V HN 0.188 nan 8.190 nan 0.000 0.452 439 L N 0.105 121.225 121.223 -0.171 0.000 2.079 439 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 439 L C 2.096 179.078 176.870 0.187 0.000 1.081 439 L CA 1.974 56.738 54.840 -0.127 0.000 0.752 439 L CB -0.758 40.984 42.059 -0.528 0.000 0.896 439 L HN 0.452 nan 8.230 nan 0.000 0.433 440 N N -0.728 118.091 118.700 0.198 0.000 2.512 440 N HA -0.152 4.587 4.740 -0.001 0.000 0.183 440 N C 1.596 177.207 175.510 0.168 0.000 1.073 440 N CA 0.278 53.506 53.050 0.296 0.000 0.911 440 N CB 0.065 38.695 38.487 0.237 0.000 0.964 440 N HN 0.446 nan 8.380 nan 0.000 0.447 441 Q N 0.233 120.070 119.800 0.063 0.000 2.378 441 Q HA 0.044 4.384 4.340 -0.001 0.000 0.205 441 Q C 0.059 176.056 176.000 -0.006 0.000 0.954 441 Q CA 0.313 56.130 55.803 0.023 0.000 0.901 441 Q CB 0.432 29.163 28.738 -0.012 0.000 0.981 441 Q HN 0.137 nan 8.270 nan 0.000 0.483 442 V N 2.397 122.242 119.914 -0.115 0.000 2.572 442 V HA -0.050 4.070 4.120 -0.001 0.000 0.291 442 V C 0.221 176.139 176.094 -0.293 0.000 1.039 442 V CA -0.068 62.038 62.300 -0.322 0.000 1.055 442 V CB 0.952 32.160 31.823 -1.025 0.000 0.969 442 V HN 0.130 nan 8.190 nan 0.000 0.482 443 D N 3.988 124.352 120.400 -0.060 0.000 2.508 443 D HA 0.077 4.717 4.640 -0.001 0.000 0.224 443 D C 0.708 177.096 176.300 0.146 0.000 1.171 443 D CA -0.102 53.934 54.000 0.060 0.000 1.006 443 D CB 0.043 40.876 40.800 0.056 0.000 1.073 443 D HN 0.574 nan 8.370 nan 0.000 0.513 444 W N 2.049 123.509 121.300 0.267 0.000 2.358 444 W HA -0.177 4.482 4.660 -0.001 0.000 0.303 444 W C 2.255 178.898 176.519 0.206 0.000 1.208 444 W CA 0.656 58.150 57.345 0.248 0.000 1.274 444 W CB -0.312 29.287 29.460 0.232 0.000 1.138 444 W HN 0.351 nan 8.180 nan 0.000 0.515 445 N N 0.439 119.398 118.700 0.431 0.000 2.166 445 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 445 N C 1.688 177.343 175.510 0.242 0.000 1.019 445 N CA 2.191 55.472 53.050 0.386 0.000 0.856 445 N CB -0.499 38.166 38.487 0.298 0.000 0.993 445 N HN 0.050 nan 8.380 nan 0.000 0.426 446 A N -0.497 122.408 122.820 0.141 0.000 1.855 446 A HA -0.068 4.252 4.320 -0.001 0.000 0.215 446 A C 2.053 179.601 177.584 -0.061 0.000 1.191 446 A CA 1.210 53.244 52.037 -0.004 0.000 0.613 446 A CB -1.342 17.593 19.000 -0.108 0.000 0.829 446 A HN 0.559 nan 8.150 nan 0.000 0.442 447 W N 0.040 121.286 121.300 -0.090 0.000 2.338 447 W HA -0.092 4.567 4.660 -0.001 0.000 0.304 447 W C 2.099 178.474 176.519 -0.240 0.000 1.212 447 W CA 1.415 58.663 57.345 -0.161 0.000 1.264 447 W CB -0.223 29.134 29.460 -0.173 0.000 1.142 447 W HN 0.223 nan 8.180 nan 0.000 0.512 448 L N -2.495 118.701 121.223 -0.045 0.000 2.202 448 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 448 L C 1.166 177.702 176.870 -0.557 0.000 1.083 448 L CA 0.891 55.440 54.840 -0.485 0.000 0.790 448 L CB -0.409 41.134 42.059 -0.860 0.000 0.942 448 L HN 0.016 nan 8.230 nan 0.000 0.452 449 Y N -1.743 118.608 120.300 0.085 0.000 2.499 449 Y HA 0.270 4.819 4.550 -0.001 0.000 0.253 449 Y C 0.962 176.877 175.900 0.025 0.000 1.105 449 Y CA -0.773 57.364 58.100 0.061 0.000 1.240 449 Y CB 0.275 38.787 38.460 0.086 0.000 1.289 449 Y HN -0.145 nan 8.280 nan 0.000 0.534 450 S N 3.816 119.575 115.700 0.098 0.000 2.554 450 S HA 0.372 4.842 4.470 -0.001 0.000 0.278 450 S C -2.436 172.155 174.600 -0.015 0.000 1.242 450 S CA -1.228 56.992 58.200 0.033 0.000 1.051 450 S CB 1.169 64.364 63.200 -0.009 0.000 0.986 450 S HN -0.028 nan 8.310 nan 0.000 0.502 451 P HA 0.492 nan 4.420 nan 0.000 0.276 451 P C 0.450 177.716 177.300 -0.056 0.000 1.261 451 P CA 0.150 63.236 63.100 -0.023 0.000 0.800 451 P CB 0.297 31.991 31.700 -0.010 0.000 1.066 452 G N -0.594 108.173 108.800 -0.054 0.000 2.660 452 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.247 452 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.247 452 G C -0.811 174.000 174.900 -0.148 0.000 1.328 452 G CA -0.659 44.393 45.100 -0.081 0.000 0.884 452 G HN 0.567 nan 8.290 nan 0.000 0.531 453 L N 1.795 122.914 121.223 -0.173 0.000 2.483 453 L HA 0.290 4.629 4.340 -0.001 0.000 0.276 453 L C -1.258 175.437 176.870 -0.291 0.000 1.213 453 L CA -1.261 53.425 54.840 -0.257 0.000 0.843 453 L CB 0.196 42.139 42.059 -0.193 0.000 1.107 453 L HN 0.442 nan 8.230 nan 0.000 0.487 454 P HA 0.040 nan 4.420 nan 0.000 0.270 454 P C -2.023 174.921 177.300 -0.592 0.000 1.227 454 P CA -0.974 61.669 63.100 -0.762 0.000 0.788 454 P CB -0.141 30.856 31.700 -1.170 0.000 0.926 455 P HA 0.083 nan 4.420 nan 0.000 0.233 455 P C 0.110 177.219 177.300 -0.317 0.000 1.167 455 P CA 1.369 64.201 63.100 -0.447 0.000 0.770 455 P CB 0.561 32.001 31.700 -0.433 0.000 0.837 456 I N -0.305 120.038 120.570 -0.378 0.000 2.569 456 I HA 0.289 4.459 4.170 -0.001 0.000 0.290 456 I C -0.033 176.013 176.117 -0.118 0.000 1.088 456 I CA -1.079 60.091 61.300 -0.215 0.000 1.047 456 I CB 3.206 41.029 38.000 -0.294 0.000 1.237 456 I HN -0.251 nan 8.210 nan 0.000 0.421 457 K N 7.017 127.331 120.400 -0.142 0.000 2.201 457 K HA 0.499 4.818 4.320 -0.001 0.000 0.278 457 K C -2.441 174.027 176.600 -0.220 0.000 1.027 457 K CA -1.323 54.749 56.287 -0.359 0.000 0.909 457 K CB 1.332 33.473 32.500 -0.599 0.000 1.062 457 K HN 0.200 nan 8.250 nan 0.000 0.465 458 P HA 0.020 nan 4.420 nan 0.000 0.271 458 P C -1.120 175.930 177.300 -0.418 0.000 1.244 458 P CA -0.318 62.598 63.100 -0.306 0.000 0.793 458 P CB 0.437 31.897 31.700 -0.400 0.000 0.984 459 N N 0.896 119.337 118.700 -0.432 0.000 2.458 459 N HA 0.178 4.917 4.740 -0.001 0.000 0.270 459 N C -0.851 174.491 175.510 -0.280 0.000 1.102 459 N CA 0.199 53.101 53.050 -0.247 0.000 0.967 459 N CB 0.060 38.454 38.487 -0.155 0.000 1.078 459 N HN 0.352 nan 8.380 nan 0.000 0.471 460 Y N -0.442 119.942 120.300 0.139 0.000 2.376 460 Y HA 0.167 4.716 4.550 -0.001 0.000 0.340 460 Y C 0.366 176.446 175.900 0.301 0.000 0.965 460 Y CA -1.195 57.092 58.100 0.312 0.000 1.078 460 Y CB 1.271 39.842 38.460 0.185 0.000 1.193 460 Y HN 0.445 nan 8.280 nan 0.000 0.452 461 D N 2.609 123.363 120.400 0.591 0.000 2.493 461 D HA 0.032 4.672 4.640 -0.001 0.000 0.240 461 D C 0.557 177.022 176.300 0.275 0.000 1.142 461 D CA 0.344 54.493 54.000 0.249 0.000 0.872 461 D CB 0.771 41.565 40.800 -0.011 0.000 1.173 461 D HN 0.426 nan 8.370 nan 0.000 0.467 462 M N 2.377 122.089 119.600 0.186 0.000 2.371 462 M HA 0.014 4.493 4.480 -0.001 0.000 0.246 462 M C 1.707 178.107 176.300 0.168 0.000 1.103 462 M CA 0.211 55.614 55.300 0.172 0.000 1.010 462 M CB -0.527 32.149 32.600 0.127 0.000 1.457 462 M HN 0.430 nan 8.290 nan 0.000 0.486 463 T N 1.871 116.514 114.554 0.148 0.000 2.624 463 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 463 T C 1.897 176.679 174.700 0.137 0.000 1.041 463 T CA 1.481 63.653 62.100 0.119 0.000 1.159 463 T CB -0.257 68.667 68.868 0.092 0.000 0.863 463 T HN 0.365 nan 8.240 nan 0.000 0.434 464 L N 0.382 121.718 121.223 0.187 0.000 2.418 464 L HA 0.033 4.372 4.340 -0.001 0.000 0.218 464 L C 2.591 179.644 176.870 0.306 0.000 1.125 464 L CA 0.770 55.705 54.840 0.158 0.000 0.835 464 L CB -0.462 41.612 42.059 0.024 0.000 0.953 464 L HN 0.293 nan 8.230 nan 0.000 0.454 465 T N -1.202 113.580 114.554 0.380 0.000 3.014 465 T HA -0.045 4.304 4.350 -0.001 0.000 0.263 465 T C 1.555 176.387 174.700 0.221 0.000 1.078 465 T CA 0.742 63.051 62.100 0.349 0.000 1.135 465 T CB -0.176 68.816 68.868 0.207 0.000 0.895 465 T HN 0.372 nan 8.240 nan 0.000 0.480 466 N N 1.566 120.369 118.700 0.171 0.000 2.061 466 N HA -0.128 4.612 4.740 -0.001 0.000 0.193 466 N C 2.159 177.749 175.510 0.134 0.000 1.030 466 N CA 1.149 54.278 53.050 0.132 0.000 0.856 466 N CB -0.176 38.373 38.487 0.105 0.000 1.023 466 N HN 0.352 nan 8.380 nan 0.000 0.424 467 A N 0.467 123.365 122.820 0.129 0.000 1.969 467 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 467 A C 2.404 180.080 177.584 0.154 0.000 1.169 467 A CA 0.987 53.094 52.037 0.115 0.000 0.635 467 A CB -0.775 18.272 19.000 0.079 0.000 0.810 467 A HN 0.487 nan 8.150 nan 0.000 0.445 468 C N -0.674 118.747 119.300 0.202 0.000 2.453 468 C HA -0.036 4.423 4.460 -0.001 0.000 0.277 468 C C 2.506 177.672 174.990 0.294 0.000 1.262 468 C CA 0.825 60.009 59.018 0.277 0.000 1.718 468 C CB -1.367 26.555 27.740 0.302 0.000 2.031 468 C HN 0.625 nan 8.230 nan 0.000 0.480 469 I N 1.684 122.383 120.570 0.214 0.000 2.226 469 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 469 I C 2.807 179.046 176.117 0.202 0.000 1.100 469 I CA 1.565 62.975 61.300 0.182 0.000 1.374 469 I CB -0.566 37.512 38.000 0.129 0.000 1.057 469 I HN 0.286 nan 8.210 nan 0.000 0.413 470 A N 0.610 123.540 122.820 0.184 0.000 1.877 470 A HA -0.224 4.096 4.320 -0.001 0.000 0.216 470 A C 2.240 179.965 177.584 0.235 0.000 1.186 470 A CA 1.597 53.737 52.037 0.172 0.000 0.620 470 A CB -0.806 18.272 19.000 0.129 0.000 0.822 470 A HN 0.367 nan 8.150 nan 0.000 0.443 471 L N -0.308 121.082 121.223 0.278 0.000 2.093 471 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 471 L C 2.644 179.918 176.870 0.673 0.000 1.085 471 L CA 2.375 57.442 54.840 0.379 0.000 0.755 471 L CB -0.710 41.438 42.059 0.148 0.000 0.904 471 L HN 0.375 nan 8.230 nan 0.000 0.435 472 S N -1.349 114.751 115.700 0.666 0.000 2.368 472 S HA -0.216 4.254 4.470 -0.001 0.000 0.225 472 S C 1.976 176.816 174.600 0.400 0.000 1.030 472 S CA 1.232 59.750 58.200 0.531 0.000 0.999 472 S CB -0.216 63.131 63.200 0.246 0.000 0.844 472 S HN 0.556 nan 8.310 nan 0.000 0.459 473 Q N 0.812 120.795 119.800 0.304 0.000 2.124 473 Q HA -0.002 4.338 4.340 -0.001 0.000 0.202 473 Q C 2.394 178.547 176.000 0.255 0.000 0.977 473 Q CA 1.089 57.030 55.803 0.231 0.000 0.850 473 Q CB -0.425 28.413 28.738 0.166 0.000 0.901 473 Q HN 0.587 nan 8.270 nan 0.000 0.429 474 R N -0.834 119.844 120.500 0.297 0.000 2.083 474 R HA -0.183 4.157 4.340 -0.001 0.000 0.237 474 R C 2.108 178.622 176.300 0.357 0.000 1.137 474 R CA 1.642 57.910 56.100 0.281 0.000 0.951 474 R CB -0.320 30.166 30.300 0.309 0.000 0.851 474 R HN 0.316 nan 8.270 nan 0.000 0.434 475 W N 0.634 122.148 121.300 0.355 0.000 2.381 475 W HA -0.047 4.613 4.660 -0.000 0.000 0.301 475 W C 2.023 178.707 176.519 0.274 0.000 1.205 475 W CA 0.686 58.171 57.345 0.234 0.000 1.285 475 W CB -0.224 29.305 29.460 0.115 0.000 1.133 475 W HN 0.009 nan 8.180 nan 0.000 0.521 476 I N -0.127 120.692 120.570 0.415 0.000 2.315 476 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 476 I C 2.462 178.705 176.117 0.211 0.000 1.117 476 I CA 1.834 63.287 61.300 0.255 0.000 1.404 476 I CB -0.803 37.297 38.000 0.166 0.000 1.071 476 I HN -0.000 nan 8.210 nan 0.000 0.419 477 T N -1.215 113.462 114.554 0.206 0.000 3.100 477 T HA 0.313 4.663 4.350 -0.001 0.000 0.253 477 T C 0.920 175.719 174.700 0.165 0.000 1.118 477 T CA 0.043 62.233 62.100 0.150 0.000 1.058 477 T CB -0.294 68.640 68.868 0.110 0.000 0.953 477 T HN 0.197 nan 8.240 nan 0.000 0.515 478 A N 1.474 124.439 122.820 0.241 0.000 2.511 478 A HA 0.513 4.832 4.320 -0.001 0.000 0.242 478 A C 0.263 178.009 177.584 0.271 0.000 1.069 478 A CA -0.238 51.916 52.037 0.195 0.000 0.763 478 A CB 0.132 19.233 19.000 0.169 0.000 1.001 478 A HN 0.452 nan 8.150 nan 0.000 0.498 479 K N 0.198 120.671 120.400 0.122 0.000 2.267 479 K HA 0.329 4.648 4.320 -0.001 0.000 0.236 479 K C 1.227 177.866 176.600 0.065 0.000 1.030 479 K CA -0.180 56.187 56.287 0.134 0.000 0.930 479 K CB 0.641 33.181 32.500 0.067 0.000 1.182 479 K HN 0.790 nan 8.250 nan 0.000 0.474 480 E N 0.870 121.119 120.200 0.081 0.000 2.097 480 E HA -0.276 4.073 4.350 -0.001 0.000 0.196 480 E C 0.670 177.249 176.600 -0.036 0.000 1.000 480 E CA 2.081 58.496 56.400 0.025 0.000 0.804 480 E CB 0.035 29.757 29.700 0.037 0.000 0.740 480 E HN 0.647 nan 8.360 nan 0.000 0.454 481 D N -0.131 120.248 120.400 -0.035 0.000 2.371 481 D HA -0.146 4.493 4.640 -0.001 0.000 0.221 481 D C 0.781 177.017 176.300 -0.107 0.000 0.986 481 D CA 0.612 54.576 54.000 -0.061 0.000 0.899 481 D CB -0.159 40.613 40.800 -0.046 0.000 0.902 481 D HN 0.217 nan 8.370 nan 0.000 0.530 482 D N 0.053 120.372 120.400 -0.135 0.000 2.354 482 D HA 0.075 4.715 4.640 -0.001 0.000 0.209 482 D C 2.162 178.259 176.300 -0.338 0.000 1.015 482 D CA -0.021 53.835 54.000 -0.240 0.000 0.867 482 D CB 0.413 41.079 40.800 -0.222 0.000 0.933 482 D HN 0.287 nan 8.370 nan 0.000 0.520 483 L N 0.813 121.911 121.223 -0.208 0.000 2.131 483 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 483 L C 2.158 178.957 176.870 -0.117 0.000 1.092 483 L CA 0.754 55.517 54.840 -0.127 0.000 0.759 483 L CB -0.417 41.580 42.059 -0.103 0.000 0.903 483 L HN -0.018 nan 8.230 nan 0.000 0.435 484 N N 0.063 118.675 118.700 -0.147 0.000 2.272 484 N HA -0.204 4.536 4.740 -0.001 0.000 0.185 484 N C 1.951 177.351 175.510 -0.183 0.000 1.014 484 N CA 1.410 54.384 53.050 -0.126 0.000 0.870 484 N CB 0.036 38.457 38.487 -0.109 0.000 0.975 484 N HN 0.350 nan 8.380 nan 0.000 0.433 485 S N -1.300 114.195 115.700 -0.343 0.000 2.453 485 S HA 0.002 4.472 4.470 -0.001 0.000 0.231 485 S C 0.448 174.793 174.600 -0.424 0.000 1.005 485 S CA 0.020 57.972 58.200 -0.413 0.000 0.949 485 S CB -0.561 62.312 63.200 -0.545 0.000 0.774 485 S HN 0.133 nan 8.310 nan 0.000 0.510 486 F N 2.961 122.768 119.950 -0.239 0.000 2.459 486 F HA 0.535 5.061 4.527 -0.001 0.000 0.346 486 F C 0.923 176.675 175.800 -0.080 0.000 1.128 486 F CA -0.640 57.248 58.000 -0.187 0.000 1.268 486 F CB 0.308 39.093 39.000 -0.359 0.000 1.161 486 F HN 0.220 nan 8.300 nan 0.000 0.583 487 N N 0.319 119.162 118.700 0.240 0.000 2.598 487 N HA 0.303 5.042 4.740 -0.001 0.000 0.263 487 N C 0.225 175.895 175.510 0.267 0.000 1.254 487 N CA 0.002 53.145 53.050 0.155 0.000 0.863 487 N CB 1.946 40.476 38.487 0.073 0.000 1.586 487 N HN 0.569 nan 8.380 nan 0.000 0.491 488 A N 1.027 123.956 122.820 0.182 0.000 2.042 488 A HA -0.204 4.115 4.320 -0.001 0.000 0.222 488 A C 1.870 179.504 177.584 0.084 0.000 1.167 488 A CA 2.832 54.967 52.037 0.164 0.000 0.649 488 A CB -1.195 17.846 19.000 0.068 0.000 0.809 488 A HN 0.856 nan 8.150 nan 0.000 0.457 489 T N -2.608 111.988 114.554 0.070 0.000 3.007 489 T HA -0.120 4.230 4.350 -0.001 0.000 0.270 489 T C 1.115 175.829 174.700 0.023 0.000 1.107 489 T CA 1.322 63.440 62.100 0.029 0.000 1.118 489 T CB -0.480 68.400 68.868 0.021 0.000 0.889 489 T HN 0.415 nan 8.240 nan 0.000 0.506 490 D N 1.780 122.224 120.400 0.074 0.000 2.182 490 D HA -0.034 4.606 4.640 -0.001 0.000 0.201 490 D C 1.741 177.975 176.300 -0.110 0.000 0.986 490 D CA 0.913 54.938 54.000 0.041 0.000 0.847 490 D CB -0.199 40.723 40.800 0.204 0.000 0.942 490 D HN 0.464 nan 8.370 nan 0.000 0.467 491 L N 0.056 121.169 121.223 -0.183 0.000 2.592 491 L HA 0.125 4.465 4.340 -0.001 0.000 0.227 491 L C 2.149 178.949 176.870 -0.117 0.000 1.127 491 L CA -0.074 54.628 54.840 -0.230 0.000 0.884 491 L CB -0.084 41.787 42.059 -0.314 0.000 1.065 491 L HN -0.079 nan 8.230 nan 0.000 0.457 492 K N 1.047 121.403 120.400 -0.073 0.000 2.077 492 K HA -0.230 4.090 4.320 -0.001 0.000 0.213 492 K C 0.685 177.260 176.600 -0.041 0.000 1.051 492 K CA 2.012 58.273 56.287 -0.044 0.000 0.929 492 K CB 0.128 32.612 32.500 -0.026 0.000 0.715 492 K HN 0.284 nan 8.250 nan 0.000 0.451 493 D N 0.140 120.516 120.400 -0.040 0.000 2.424 493 D HA 0.120 4.759 4.640 -0.001 0.000 0.220 493 D C -0.444 175.834 176.300 -0.036 0.000 1.150 493 D CA 0.068 54.049 54.000 -0.032 0.000 0.831 493 D CB 0.364 41.152 40.800 -0.020 0.000 0.981 493 D HN 0.178 nan 8.370 nan 0.000 0.500 494 L N 1.492 122.685 121.223 -0.049 0.000 2.282 494 L HA 0.231 4.570 4.340 -0.001 0.000 0.288 494 L C 1.080 177.926 176.870 -0.039 0.000 1.033 494 L CA -0.601 54.213 54.840 -0.042 0.000 0.807 494 L CB 1.586 43.611 42.059 -0.057 0.000 1.209 494 L HN -0.094 nan 8.230 nan 0.000 0.423 495 S N 0.673 116.353 115.700 -0.034 0.000 2.608 495 S HA 0.045 4.514 4.470 -0.001 0.000 0.261 495 S C 1.340 175.924 174.600 -0.027 0.000 1.314 495 S CA -0.128 58.056 58.200 -0.027 0.000 0.992 495 S CB 1.295 64.496 63.200 0.002 0.000 0.935 495 S HN 0.757 nan 8.310 nan 0.000 0.564 496 S N 0.503 116.150 115.700 -0.088 0.000 2.383 496 S HA -0.257 4.212 4.470 -0.001 0.000 0.229 496 S C 1.492 176.020 174.600 -0.120 0.000 1.030 496 S CA 1.688 59.802 58.200 -0.143 0.000 1.002 496 S CB -1.313 61.744 63.200 -0.237 0.000 0.829 496 S HN 0.882 nan 8.310 nan 0.000 0.467 497 H N 1.500 120.600 119.070 0.050 0.000 2.353 497 H HA 0.034 4.589 4.556 -0.001 0.000 0.300 497 H C 2.551 178.032 175.328 0.255 0.000 1.090 497 H CA 1.905 58.056 56.048 0.172 0.000 1.327 497 H CB -0.283 29.599 29.762 0.199 0.000 1.383 497 H HN 0.525 nan 8.280 nan 0.000 0.508 498 Q N -0.179 119.754 119.800 0.222 0.000 2.123 498 Q HA -0.078 4.262 4.340 -0.001 0.000 0.199 498 Q C 1.902 178.031 176.000 0.215 0.000 0.966 498 Q CA 0.745 56.692 55.803 0.240 0.000 0.845 498 Q CB 0.071 28.859 28.738 0.084 0.000 0.907 498 Q HN 0.296 nan 8.270 nan 0.000 0.439 499 L N 0.970 122.262 121.223 0.116 0.000 2.017 499 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 499 L C 2.073 179.005 176.870 0.103 0.000 1.073 499 L CA 1.664 56.560 54.840 0.095 0.000 0.745 499 L CB -0.736 41.324 42.059 0.002 0.000 0.894 499 L HN 0.234 nan 8.230 nan 0.000 0.432 500 N N -0.430 118.314 118.700 0.073 0.000 2.120 500 N HA -0.243 4.496 4.740 -0.001 0.000 0.188 500 N C 1.878 177.437 175.510 0.082 0.000 1.024 500 N CA 1.290 54.371 53.050 0.051 0.000 0.852 500 N CB -0.006 38.529 38.487 0.081 0.000 1.003 500 N HN 0.283 nan 8.380 nan 0.000 0.424 501 E N -0.395 119.916 120.200 0.185 0.000 2.106 501 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 501 E C 1.728 178.405 176.600 0.128 0.000 0.984 501 E CA 0.816 57.300 56.400 0.141 0.000 0.806 501 E CB -0.685 29.153 29.700 0.230 0.000 0.750 501 E HN 0.465 nan 8.360 nan 0.000 0.458 502 F N 0.699 120.684 119.950 0.058 0.000 2.091 502 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 502 F C 1.761 177.556 175.800 -0.009 0.000 1.103 502 F CA 1.631 59.655 58.000 0.040 0.000 1.228 502 F CB -0.422 38.602 39.000 0.039 0.000 0.984 502 F HN 0.074 nan 8.300 nan 0.000 0.477 503 L N -0.073 120.955 121.223 -0.325 0.000 2.093 503 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 503 L C 2.837 179.529 176.870 -0.297 0.000 1.085 503 L CA 1.062 55.631 54.840 -0.451 0.000 0.755 503 L CB -1.113 40.766 42.059 -0.299 0.000 0.904 503 L HN 0.289 nan 8.230 nan 0.000 0.435 504 A N -0.760 121.959 122.820 -0.167 0.000 1.902 504 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 504 A C 2.257 179.763 177.584 -0.130 0.000 1.181 504 A CA 1.258 53.221 52.037 -0.123 0.000 0.623 504 A CB -0.378 18.581 19.000 -0.069 0.000 0.818 504 A HN 0.371 nan 8.150 nan 0.000 0.443 505 Q N -0.443 119.285 119.800 -0.119 0.000 2.061 505 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 505 Q C 2.231 178.155 176.000 -0.127 0.000 0.984 505 Q CA 2.173 57.924 55.803 -0.086 0.000 0.846 505 Q CB -0.979 27.746 28.738 -0.021 0.000 0.902 505 Q HN 0.695 nan 8.270 nan 0.000 0.421 506 T N 1.852 116.258 114.554 -0.246 0.000 2.777 506 T HA -0.109 4.241 4.350 -0.001 0.000 0.266 506 T C 1.879 176.466 174.700 -0.187 0.000 1.040 506 T CA 0.782 62.734 62.100 -0.246 0.000 1.141 506 T CB -0.288 68.302 68.868 -0.463 0.000 0.868 506 T HN 0.085 nan 8.240 nan 0.000 0.444 507 L N 1.441 122.540 121.223 -0.206 0.000 2.131 507 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 507 L C 2.347 179.134 176.870 -0.138 0.000 1.092 507 L CA 1.656 56.388 54.840 -0.180 0.000 0.759 507 L CB -0.762 41.175 42.059 -0.203 0.000 0.903 507 L HN 0.254 nan 8.230 nan 0.000 0.435 508 Q N -0.920 118.811 119.800 -0.115 0.000 2.291 508 Q HA -0.178 4.161 4.340 -0.001 0.000 0.206 508 Q C 1.393 177.350 176.000 -0.072 0.000 0.976 508 Q CA 1.215 56.967 55.803 -0.085 0.000 0.875 508 Q CB 0.040 28.739 28.738 -0.064 0.000 0.927 508 Q HN 0.377 nan 8.270 nan 0.000 0.450 509 R N -0.577 119.879 120.500 -0.073 0.000 2.468 509 R HA 0.265 4.604 4.340 -0.001 0.000 0.280 509 R C -0.308 175.949 176.300 -0.073 0.000 0.963 509 R CA -0.005 56.062 56.100 -0.056 0.000 1.083 509 R CB 0.676 30.958 30.300 -0.030 0.000 1.200 509 R HN 0.054 nan 8.270 nan 0.000 0.541 510 A N 2.218 124.979 122.820 -0.098 0.000 2.445 510 A HA 0.365 4.684 4.320 -0.001 0.000 0.242 510 A C -1.870 175.651 177.584 -0.105 0.000 1.075 510 A CA -0.956 51.012 52.037 -0.115 0.000 0.777 510 A CB -0.256 18.657 19.000 -0.145 0.000 1.013 510 A HN 0.035 nan 8.150 nan 0.000 0.493 511 P HA 0.457 nan 4.420 nan 0.000 0.274 511 P C -0.927 176.301 177.300 -0.120 0.000 1.231 511 P CA -0.323 62.698 63.100 -0.131 0.000 0.790 511 P CB 0.623 32.242 31.700 -0.136 0.000 0.951 512 L N 3.327 124.473 121.223 -0.129 0.000 2.358 512 L HA 0.529 4.869 4.340 -0.001 0.000 0.268 512 L C -2.098 174.665 176.870 -0.178 0.000 1.032 512 L CA -2.135 52.619 54.840 -0.144 0.000 0.805 512 L CB 0.093 42.102 42.059 -0.085 0.000 1.253 512 L HN 0.290 nan 8.230 nan 0.000 0.452 513 P HA 0.003 nan 4.420 nan 0.000 0.267 513 P C 0.509 177.742 177.300 -0.112 0.000 1.200 513 P CA -0.293 62.683 63.100 -0.206 0.000 0.772 513 P CB 0.487 32.006 31.700 -0.302 0.000 0.855 514 L N 3.887 125.045 121.223 -0.108 0.000 2.042 514 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 514 L C 2.211 178.971 176.870 -0.182 0.000 1.076 514 L CA 2.584 57.324 54.840 -0.167 0.000 0.749 514 L CB -1.658 40.315 42.059 -0.144 0.000 0.893 514 L HN 0.546 nan 8.230 nan 0.000 0.432 515 G N -2.147 106.622 108.800 -0.053 0.000 2.442 515 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.219 515 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.219 515 G C 1.315 176.264 174.900 0.083 0.000 1.141 515 G CA 1.096 46.195 45.100 -0.003 0.000 0.763 515 G HN 0.541 nan 8.290 nan 0.000 0.554 516 H N 0.348 119.418 119.070 -0.001 0.000 2.321 516 H HA 0.013 4.568 4.556 -0.001 0.000 0.300 516 H C 2.655 177.993 175.328 0.017 0.000 1.087 516 H CA 0.949 57.085 56.048 0.147 0.000 1.319 516 H CB -0.146 29.740 29.762 0.207 0.000 1.379 516 H HN 0.213 nan 8.280 nan 0.000 0.501 517 I N 0.914 121.484 120.570 0.001 0.000 2.286 517 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 517 I C 1.970 177.928 176.117 -0.265 0.000 1.115 517 I CA 1.207 62.440 61.300 -0.111 0.000 1.392 517 I CB -0.854 37.034 38.000 -0.187 0.000 1.065 517 I HN 0.236 nan 8.210 nan 0.000 0.418 518 K N 0.337 120.405 120.400 -0.553 0.000 2.057 518 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 518 K C 2.246 178.741 176.600 -0.175 0.000 1.049 518 K CA 1.349 57.274 56.287 -0.603 0.000 0.931 518 K CB -0.178 31.997 32.500 -0.542 0.000 0.714 518 K HN 0.034 nan 8.250 nan 0.000 0.440 519 R N 1.343 121.798 120.500 -0.074 0.000 2.081 519 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 519 R C 2.109 178.382 176.300 -0.046 0.000 1.131 519 R CA 1.423 57.533 56.100 0.017 0.000 0.960 519 R CB -0.357 30.024 30.300 0.135 0.000 0.856 519 R HN 0.169 nan 8.270 nan 0.000 0.436 520 M N -0.071 119.428 119.600 -0.169 0.000 2.108 520 M HA -0.243 4.237 4.480 -0.001 0.000 0.261 520 M C 2.071 178.131 176.300 -0.400 0.000 1.066 520 M CA 2.167 57.152 55.300 -0.524 0.000 1.107 520 M CB -0.126 32.165 32.600 -0.515 0.000 1.356 520 M HN 0.213 nan 8.290 nan 0.000 0.406 521 Q N 0.621 120.403 119.800 -0.030 0.000 2.119 521 Q HA -0.230 4.110 4.340 -0.001 0.000 0.201 521 Q C 1.680 177.666 176.000 -0.023 0.000 0.972 521 Q CA 2.304 58.149 55.803 0.071 0.000 0.847 521 Q CB -0.371 28.719 28.738 0.588 0.000 0.903 521 Q HN 0.682 nan 8.270 nan 0.000 0.433 522 E N -0.802 119.388 120.200 -0.017 0.000 2.110 522 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 522 E C 1.592 178.144 176.600 -0.079 0.000 0.988 522 E CA 1.873 58.261 56.400 -0.020 0.000 0.804 522 E CB 0.077 29.774 29.700 -0.006 0.000 0.745 522 E HN 0.379 nan 8.360 nan 0.000 0.458 523 V N -2.228 117.576 119.914 -0.183 0.000 3.263 523 V HA 0.069 4.189 4.120 -0.001 0.000 0.248 523 V C 1.344 177.359 176.094 -0.133 0.000 1.145 523 V CA 0.351 62.542 62.300 -0.181 0.000 1.107 523 V CB -0.358 31.337 31.823 -0.215 0.000 0.797 523 V HN 0.175 nan 8.190 nan 0.000 0.467 524 Y N 0.530 120.602 120.300 -0.379 0.000 2.444 524 Y HA 0.395 4.945 4.550 -0.001 0.000 0.252 524 Y C 1.327 176.847 175.900 -0.634 0.000 1.091 524 Y CA -0.765 56.936 58.100 -0.664 0.000 1.276 524 Y CB -0.913 36.729 38.460 -1.363 0.000 1.170 524 Y HN 0.472 nan 8.280 nan 0.000 0.517 525 N N 0.311 118.815 118.700 -0.326 0.000 2.725 525 N HA -0.248 4.492 4.740 -0.001 0.000 0.251 525 N C -0.057 175.333 175.510 -0.200 0.000 1.031 525 N CA -0.106 52.833 53.050 -0.184 0.000 0.720 525 N CB -0.928 37.511 38.487 -0.080 0.000 0.930 525 N HN 0.068 nan 8.380 nan 0.000 0.543 526 F N 0.498 120.184 119.950 -0.439 0.000 2.333 526 F HA -0.051 4.475 4.527 -0.001 0.000 0.300 526 F C 2.237 177.782 175.800 -0.425 0.000 1.083 526 F CA 0.650 58.224 58.000 -0.710 0.000 1.395 526 F CB -0.425 37.561 39.000 -1.690 0.000 1.056 526 F HN 0.286 nan 8.300 nan 0.000 0.529 527 N N 0.357 119.102 118.700 0.074 0.000 2.258 527 N HA -0.156 4.583 4.740 -0.001 0.000 0.187 527 N C 1.954 177.533 175.510 0.115 0.000 1.012 527 N CA 1.212 54.410 53.050 0.247 0.000 0.870 527 N CB -0.459 38.171 38.487 0.239 0.000 0.977 527 N HN 0.269 nan 8.380 nan 0.000 0.434 528 A N 0.150 123.005 122.820 0.058 0.000 2.119 528 A HA 0.120 4.439 4.320 -0.001 0.000 0.216 528 A C 0.984 178.585 177.584 0.029 0.000 1.152 528 A CA 0.044 52.102 52.037 0.035 0.000 0.708 528 A CB -0.088 18.921 19.000 0.016 0.000 0.805 528 A HN 0.155 nan 8.150 nan 0.000 0.460 529 I N 0.983 121.574 120.570 0.035 0.000 2.395 529 I HA 0.097 4.267 4.170 -0.001 0.000 0.289 529 I C 0.281 176.405 176.117 0.012 0.000 1.023 529 I CA -0.369 60.942 61.300 0.018 0.000 1.350 529 I CB 0.919 38.925 38.000 0.010 0.000 1.409 529 I HN 0.174 nan 8.210 nan 0.000 0.507 530 N N 3.773 122.473 118.700 -0.001 0.000 2.205 530 N HA -0.014 4.726 4.740 -0.001 0.000 0.201 530 N C 0.403 175.902 175.510 -0.018 0.000 1.128 530 N CA 0.045 53.091 53.050 -0.006 0.000 0.867 530 N CB 0.126 38.611 38.487 -0.003 0.000 0.996 530 N HN 0.564 nan 8.380 nan 0.000 0.503 531 N N 2.163 120.850 118.700 -0.021 0.000 2.315 531 N HA -0.085 4.655 4.740 -0.001 0.000 0.270 531 N C 1.253 176.733 175.510 -0.049 0.000 1.329 531 N CA 0.269 53.304 53.050 -0.024 0.000 0.860 531 N CB 0.779 39.245 38.487 -0.035 0.000 1.095 531 N HN 0.158 nan 8.380 nan 0.000 0.487 532 S N 3.669 119.338 115.700 -0.052 0.000 2.382 532 S HA -0.128 4.341 4.470 -0.001 0.000 0.228 532 S C 1.281 175.673 174.600 -0.347 0.000 1.027 532 S CA 0.714 58.790 58.200 -0.208 0.000 0.991 532 S CB -0.046 63.094 63.200 -0.101 0.000 0.823 532 S HN 0.622 nan 8.310 nan 0.000 0.469 533 E N 1.470 121.636 120.200 -0.057 0.000 2.047 533 E HA -0.002 4.348 4.350 -0.001 0.000 0.191 533 E C 2.196 178.827 176.600 0.051 0.000 0.987 533 E CA 1.165 57.615 56.400 0.084 0.000 0.799 533 E CB -0.430 29.373 29.700 0.172 0.000 0.752 533 E HN 0.609 nan 8.360 nan 0.000 0.449 534 I N 0.699 121.258 120.570 -0.018 0.000 2.179 534 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 534 I C 2.854 178.938 176.117 -0.055 0.000 1.088 534 I CA 1.039 62.295 61.300 -0.072 0.000 1.357 534 I CB -0.252 37.675 38.000 -0.121 0.000 1.051 534 I HN 0.015 nan 8.210 nan 0.000 0.409 535 R N 0.682 121.159 120.500 -0.039 0.000 2.081 535 R HA -0.234 4.106 4.340 -0.001 0.000 0.235 535 R C 2.456 178.760 176.300 0.007 0.000 1.131 535 R CA 1.677 57.795 56.100 0.029 0.000 0.960 535 R CB -0.426 29.869 30.300 -0.008 0.000 0.856 535 R HN 0.242 nan 8.270 nan 0.000 0.436 536 F N 1.523 121.307 119.950 -0.277 0.000 2.065 536 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 536 F C 2.106 177.823 175.800 -0.138 0.000 1.112 536 F CA 1.891 59.717 58.000 -0.291 0.000 1.212 536 F CB -0.253 38.445 39.000 -0.504 0.000 0.975 536 F HN -0.065 nan 8.300 nan 0.000 0.476 537 R N -0.411 119.901 120.500 -0.312 0.000 2.075 537 R HA -0.215 4.125 4.340 -0.001 0.000 0.232 537 R C 2.411 178.563 176.300 -0.247 0.000 1.126 537 R CA 1.582 57.439 56.100 -0.404 0.000 0.963 537 R CB -1.208 28.974 30.300 -0.196 0.000 0.858 537 R HN 0.662 nan 8.270 nan 0.000 0.435 538 W N 1.792 122.903 121.300 -0.316 0.000 2.335 538 W HA -0.215 4.445 4.660 -0.001 0.000 0.311 538 W C 1.342 177.758 176.519 -0.172 0.000 1.213 538 W CA 1.277 58.480 57.345 -0.237 0.000 1.274 538 W CB -0.181 29.155 29.460 -0.207 0.000 1.148 538 W HN 0.077 nan 8.180 nan 0.000 0.498 539 L N 0.583 121.587 121.223 -0.366 0.000 2.093 539 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 539 L C 2.887 179.504 176.870 -0.421 0.000 1.085 539 L CA 1.196 55.754 54.840 -0.471 0.000 0.755 539 L CB -0.866 41.026 42.059 -0.279 0.000 0.904 539 L HN -0.072 nan 8.230 nan 0.000 0.435 540 R N -0.154 120.090 120.500 -0.428 0.000 2.083 540 R HA -0.205 4.135 4.340 -0.001 0.000 0.237 540 R C 2.243 178.335 176.300 -0.346 0.000 1.137 540 R CA 1.398 57.259 56.100 -0.398 0.000 0.951 540 R CB -0.628 29.358 30.300 -0.523 0.000 0.851 540 R HN 0.192 nan 8.270 nan 0.000 0.434 541 L N 0.778 121.792 121.223 -0.349 0.000 2.042 541 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 541 L C 2.212 178.883 176.870 -0.331 0.000 1.076 541 L CA 1.697 56.360 54.840 -0.294 0.000 0.749 541 L CB -0.550 41.383 42.059 -0.211 0.000 0.893 541 L HN 0.195 nan 8.230 nan 0.000 0.432 542 C N -0.522 118.494 119.300 -0.472 0.000 2.432 542 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 542 C C 2.696 177.523 174.990 -0.272 0.000 1.249 542 C CA 0.578 59.370 59.018 -0.377 0.000 1.725 542 C CB -0.923 26.491 27.740 -0.544 0.000 2.028 542 C HN 0.557 nan 8.230 nan 0.000 0.477 543 I N 0.704 121.090 120.570 -0.307 0.000 2.286 543 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 543 I C 2.550 178.404 176.117 -0.439 0.000 1.104 543 I CA 1.579 62.691 61.300 -0.313 0.000 1.397 543 I CB -1.589 36.305 38.000 -0.177 0.000 1.072 543 I HN 0.512 nan 8.210 nan 0.000 0.417 544 Q N 0.192 119.800 119.800 -0.320 0.000 2.226 544 Q HA -0.106 4.233 4.340 -0.001 0.000 0.204 544 Q C 1.893 177.709 176.000 -0.306 0.000 0.975 544 Q CA 1.414 57.046 55.803 -0.284 0.000 0.866 544 Q CB -0.071 28.539 28.738 -0.213 0.000 0.915 544 Q HN 0.367 nan 8.270 nan 0.000 0.440 545 S N 0.201 115.721 115.700 -0.299 0.000 2.631 545 S HA 0.081 4.550 4.470 -0.001 0.000 0.217 545 S C -0.171 174.257 174.600 -0.288 0.000 0.958 545 S CA -0.019 58.032 58.200 -0.249 0.000 0.920 545 S CB 0.211 63.294 63.200 -0.194 0.000 0.776 545 S HN 0.273 nan 8.310 nan 0.000 0.517 546 K N -0.007 120.073 120.400 -0.533 0.000 3.167 546 K HA -0.164 4.156 4.320 -0.001 0.000 0.272 546 K C -0.947 175.563 176.600 -0.150 0.000 1.137 546 K CA 0.399 56.218 56.287 -0.780 0.000 0.800 546 K CB -1.616 30.648 32.500 -0.393 0.000 1.253 546 K HN 0.472 nan 8.250 nan 0.000 0.497 547 W N 2.868 124.003 121.300 -0.276 0.000 2.357 547 W HA 0.178 4.838 4.660 -0.000 0.000 0.317 547 W C 0.991 177.561 176.519 0.085 0.000 1.101 547 W CA -0.758 56.546 57.345 -0.070 0.000 1.380 547 W CB 0.095 29.475 29.460 -0.133 0.000 1.266 547 W HN 0.132 nan 8.180 nan 0.000 0.419 548 E N 1.977 122.418 120.200 0.401 0.000 2.153 548 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 548 E C 1.069 177.620 176.600 -0.082 0.000 0.988 548 E CA 1.562 58.088 56.400 0.210 0.000 0.811 548 E CB 0.285 30.087 29.700 0.169 0.000 0.746 548 E HN 0.402 nan 8.360 nan 0.000 0.466 549 D N 0.466 120.633 120.400 -0.387 0.000 2.218 549 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 549 D C 1.641 177.603 176.300 -0.564 0.000 0.976 549 D CA 1.117 54.773 54.000 -0.574 0.000 0.853 549 D CB -0.127 40.097 40.800 -0.961 0.000 0.939 549 D HN 0.190 nan 8.370 nan 0.000 0.481 550 A N -0.064 122.401 122.820 -0.593 0.000 2.169 550 A HA 0.036 4.356 4.320 -0.001 0.000 0.212 550 A C 2.137 179.591 177.584 -0.217 0.000 1.153 550 A CA 0.080 51.869 52.037 -0.414 0.000 0.756 550 A CB -0.435 18.319 19.000 -0.410 0.000 0.813 550 A HN 0.156 nan 8.150 nan 0.000 0.471 551 I N 0.862 121.356 120.570 -0.126 0.000 2.127 551 I HA -0.191 3.978 4.170 -0.001 0.000 0.241 551 I C -0.308 175.749 176.117 -0.100 0.000 1.075 551 I CA 1.711 62.973 61.300 -0.063 0.000 1.334 551 I CB -1.027 36.953 38.000 -0.033 0.000 1.040 551 I HN 0.240 nan 8.210 nan 0.000 0.405 552 P HA -0.144 nan 4.420 nan 0.000 0.218 552 P C 1.933 179.171 177.300 -0.103 0.000 1.149 552 P CA 1.557 64.600 63.100 -0.094 0.000 0.817 552 P CB -0.073 31.576 31.700 -0.085 0.000 0.785 553 L N -0.616 120.531 121.223 -0.126 0.000 2.056 553 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 553 L C 2.745 179.541 176.870 -0.122 0.000 1.078 553 L CA 1.650 56.421 54.840 -0.115 0.000 0.749 553 L CB -1.268 40.713 42.059 -0.129 0.000 0.901 553 L HN -0.052 nan 8.230 nan 0.000 0.433 554 A N 0.114 122.846 122.820 -0.147 0.000 1.929 554 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 554 A C 2.262 179.727 177.584 -0.197 0.000 1.176 554 A CA 1.086 53.026 52.037 -0.160 0.000 0.628 554 A CB -0.575 18.329 19.000 -0.159 0.000 0.816 554 A HN 0.314 nan 8.150 nan 0.000 0.444 555 L N -0.467 120.643 121.223 -0.188 0.000 2.046 555 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 555 L C 2.627 179.378 176.870 -0.199 0.000 1.077 555 L CA 1.969 56.673 54.840 -0.227 0.000 0.747 555 L CB -0.367 41.608 42.059 -0.139 0.000 0.896 555 L HN 0.474 nan 8.230 nan 0.000 0.432 556 K N 0.283 120.606 120.400 -0.130 0.000 2.026 556 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 556 K C 2.259 178.801 176.600 -0.097 0.000 1.048 556 K CA 1.794 58.026 56.287 -0.092 0.000 0.929 556 K CB -0.131 32.332 32.500 -0.062 0.000 0.713 556 K HN 0.144 nan 8.250 nan 0.000 0.439 557 M N 0.279 119.818 119.600 -0.103 0.000 2.117 557 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 557 M C 2.001 178.246 176.300 -0.091 0.000 1.065 557 M CA 1.770 57.021 55.300 -0.082 0.000 1.114 557 M CB -0.115 32.437 32.600 -0.079 0.000 1.361 557 M HN 0.284 nan 8.290 nan 0.000 0.408 558 A N -0.322 122.389 122.820 -0.182 0.000 1.978 558 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 558 A C 2.097 179.591 177.584 -0.151 0.000 1.170 558 A CA 2.302 54.181 52.037 -0.263 0.000 0.636 558 A CB -1.103 17.451 19.000 -0.742 0.000 0.810 558 A HN 0.713 nan 8.150 nan 0.000 0.448 559 T N -4.019 110.432 114.554 -0.172 0.000 3.000 559 T HA 0.171 4.521 4.350 -0.001 0.000 0.248 559 T C 1.384 176.050 174.700 -0.055 0.000 1.034 559 T CA 0.717 62.721 62.100 -0.161 0.000 1.060 559 T CB -0.024 68.591 68.868 -0.422 0.000 0.983 559 T HN 0.511 nan 8.240 nan 0.000 0.482 560 E N 1.142 121.323 120.200 -0.031 0.000 2.435 560 E HA 0.063 4.413 4.350 -0.001 0.000 0.195 560 E C 0.525 177.145 176.600 0.033 0.000 1.029 560 E CA 0.354 56.762 56.400 0.013 0.000 0.865 560 E CB 0.159 29.863 29.700 0.005 0.000 0.833 560 E HN 0.747 nan 8.360 nan 0.000 0.510 561 Q N -1.992 117.830 119.800 0.037 0.000 2.544 561 Q HA 0.554 4.893 4.340 -0.001 0.000 0.291 561 Q C 0.165 176.204 176.000 0.064 0.000 1.068 561 Q CA -0.861 54.979 55.803 0.062 0.000 0.785 561 Q CB 1.154 29.944 28.738 0.086 0.000 1.481 561 Q HN -0.057 nan 8.270 nan 0.000 0.430 562 G N -0.283 108.546 108.800 0.048 0.000 4.165 562 G HA2 0.127 4.087 3.960 -0.001 0.000 0.287 562 G HA3 0.127 4.087 3.960 -0.001 0.000 0.287 562 G C -0.573 174.263 174.900 -0.107 0.000 1.019 562 G CA -0.545 44.563 45.100 0.012 0.000 0.806 562 G HN 0.422 nan 8.290 nan 0.000 0.447 563 R N 0.948 121.378 120.500 -0.116 0.000 2.421 563 R HA 0.208 4.548 4.340 -0.001 0.000 0.305 563 R C 1.563 177.663 176.300 -0.333 0.000 1.039 563 R CA -0.287 55.633 56.100 -0.299 0.000 1.003 563 R CB 0.296 30.393 30.300 -0.338 0.000 0.959 563 R HN 0.131 nan 8.270 nan 0.000 0.427 564 M N 3.549 122.908 119.600 -0.401 0.000 2.213 564 M HA -0.211 4.268 4.480 -0.001 0.000 0.263 564 M C 1.966 178.120 176.300 -0.243 0.000 1.062 564 M CA 1.619 56.759 55.300 -0.267 0.000 1.105 564 M CB -0.323 32.116 32.600 -0.268 0.000 1.385 564 M HN 0.628 nan 8.290 nan 0.000 0.417 565 K N 0.392 120.548 120.400 -0.407 0.000 2.160 565 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 565 K C 1.356 177.590 176.600 -0.610 0.000 1.047 565 K CA 1.548 57.525 56.287 -0.517 0.000 0.930 565 K CB 0.100 32.128 32.500 -0.787 0.000 0.720 565 K HN 0.153 nan 8.250 nan 0.000 0.450 566 F N -0.262 119.380 119.950 -0.514 0.000 2.315 566 F HA 0.107 4.634 4.527 -0.001 0.000 0.284 566 F C 2.478 178.213 175.800 -0.107 0.000 1.049 566 F CA 0.548 58.200 58.000 -0.580 0.000 1.323 566 F CB -0.970 37.773 39.000 -0.428 0.000 1.113 566 F HN -0.111 nan 8.300 nan 0.000 0.544 567 T N 0.725 115.345 114.554 0.110 0.000 2.746 567 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 567 T C 2.153 176.988 174.700 0.224 0.000 1.039 567 T CA 1.429 63.620 62.100 0.151 0.000 1.142 567 T CB -0.180 68.776 68.868 0.146 0.000 0.866 567 T HN 0.108 nan 8.240 nan 0.000 0.444 568 R N 0.654 121.236 120.500 0.136 0.000 2.062 568 R HA -0.040 4.299 4.340 -0.001 0.000 0.231 568 R C -0.485 175.908 176.300 0.155 0.000 1.136 568 R CA 1.425 57.604 56.100 0.132 0.000 0.948 568 R CB -1.270 29.055 30.300 0.041 0.000 0.845 568 R HN 0.347 nan 8.270 nan 0.000 0.430 569 P HA -0.094 nan 4.420 nan 0.000 0.219 569 P C 1.120 178.515 177.300 0.158 0.000 1.150 569 P CA 1.073 64.281 63.100 0.181 0.000 0.814 569 P CB 0.028 31.916 31.700 0.312 0.000 0.787 570 L N -2.397 118.943 121.223 0.196 0.000 2.017 570 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 570 L C 2.332 179.193 176.870 -0.015 0.000 1.073 570 L CA 1.515 56.381 54.840 0.043 0.000 0.745 570 L CB -0.950 41.103 42.059 -0.009 0.000 0.894 570 L HN -0.093 nan 8.230 nan 0.000 0.432 571 F N 0.398 120.364 119.950 0.026 0.000 2.126 571 F HA -0.253 4.273 4.527 -0.001 0.000 0.299 571 F C 2.645 178.438 175.800 -0.013 0.000 1.096 571 F CA 1.601 59.596 58.000 -0.007 0.000 1.255 571 F CB -0.368 38.612 39.000 -0.034 0.000 0.997 571 F HN -0.054 nan 8.300 nan 0.000 0.479 572 K N 0.087 120.594 120.400 0.178 0.000 2.057 572 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 572 K C 1.728 178.373 176.600 0.075 0.000 1.050 572 K CA 1.722 58.066 56.287 0.095 0.000 0.935 572 K CB -0.150 32.380 32.500 0.050 0.000 0.715 572 K HN 0.078 nan 8.250 nan 0.000 0.439 573 D N 0.727 121.156 120.400 0.048 0.000 2.097 573 D HA -0.160 4.479 4.640 -0.001 0.000 0.195 573 D C 1.872 178.219 176.300 0.079 0.000 0.989 573 D CA 1.022 55.034 54.000 0.020 0.000 0.827 573 D CB -0.162 40.610 40.800 -0.047 0.000 0.966 573 D HN 0.166 nan 8.370 nan 0.000 0.456 574 L N 0.500 121.771 121.223 0.079 0.000 2.083 574 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 574 L C 2.431 179.393 176.870 0.152 0.000 1.083 574 L CA 1.157 56.066 54.840 0.114 0.000 0.752 574 L CB -0.374 41.703 42.059 0.030 0.000 0.899 574 L HN -0.011 nan 8.230 nan 0.000 0.433 575 A N -0.214 122.697 122.820 0.152 0.000 1.969 575 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 575 A C 2.432 180.185 177.584 0.282 0.000 1.169 575 A CA 1.513 53.673 52.037 0.205 0.000 0.635 575 A CB -0.544 18.550 19.000 0.158 0.000 0.810 575 A HN 0.387 nan 8.150 nan 0.000 0.445 576 A N -1.695 121.236 122.820 0.186 0.000 2.119 576 A HA 0.266 4.585 4.320 -0.001 0.000 0.216 576 A C 0.649 178.354 177.584 0.202 0.000 1.152 576 A CA 0.150 52.273 52.037 0.144 0.000 0.708 576 A CB -0.286 18.760 19.000 0.076 0.000 0.805 576 A HN 0.445 nan 8.150 nan 0.000 0.460 577 F N 2.509 122.484 119.950 0.041 0.000 2.404 577 F HA 0.280 4.806 4.527 -0.001 0.000 0.358 577 F C 1.025 176.857 175.800 0.054 0.000 1.120 577 F CA -1.954 56.061 58.000 0.025 0.000 1.144 577 F CB 0.587 39.590 39.000 0.005 0.000 1.133 577 F HN 0.342 nan 8.300 nan 0.000 0.495 578 D N 4.262 124.755 120.400 0.154 0.000 2.133 578 D HA -0.246 4.393 4.640 -0.001 0.000 0.195 578 D C 1.298 177.462 176.300 -0.227 0.000 0.997 578 D CA 1.474 55.456 54.000 -0.031 0.000 0.840 578 D CB -0.132 40.669 40.800 0.003 0.000 0.947 578 D HN 0.406 nan 8.370 nan 0.000 0.452 579 K N 0.161 120.171 120.400 -0.651 0.000 2.211 579 K HA -0.009 4.311 4.320 -0.001 0.000 0.203 579 K C 2.104 178.406 176.600 -0.498 0.000 1.050 579 K CA 1.249 57.138 56.287 -0.662 0.000 0.945 579 K CB -0.122 31.812 32.500 -0.942 0.000 0.732 579 K HN 0.451 nan 8.250 nan 0.000 0.451 580 S N -0.818 114.581 115.700 -0.500 0.000 2.539 580 S HA 0.012 4.481 4.470 -0.001 0.000 0.221 580 S C 1.652 176.227 174.600 -0.043 0.000 0.987 580 S CA -0.350 57.733 58.200 -0.195 0.000 0.929 580 S CB -0.214 62.927 63.200 -0.097 0.000 0.832 580 S HN 0.289 nan 8.310 nan 0.000 0.492 581 H N 2.561 121.583 119.070 -0.081 0.000 2.289 581 H HA -0.144 4.412 4.556 -0.001 0.000 0.296 581 H C 0.881 176.217 175.328 0.014 0.000 1.091 581 H CA 2.351 58.396 56.048 -0.006 0.000 1.274 581 H CB -0.312 29.446 29.762 -0.006 0.000 1.364 581 H HN 0.335 nan 8.280 nan 0.000 0.490 582 D N 0.413 120.816 120.400 0.005 0.000 2.144 582 D HA -0.113 4.526 4.640 -0.001 0.000 0.200 582 D C 2.481 178.751 176.300 -0.049 0.000 0.978 582 D CA 0.794 54.777 54.000 -0.029 0.000 0.833 582 D CB -0.322 40.508 40.800 0.049 0.000 0.961 582 D HN 0.546 nan 8.370 nan 0.000 0.470 583 Q N 0.339 120.122 119.800 -0.029 0.000 2.124 583 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 583 Q C 2.200 178.224 176.000 0.040 0.000 0.977 583 Q CA 1.407 57.211 55.803 0.000 0.000 0.850 583 Q CB -0.098 28.631 28.738 -0.014 0.000 0.901 583 Q HN 0.229 nan 8.270 nan 0.000 0.429 584 A N 0.248 123.082 122.820 0.023 0.000 1.877 584 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 584 A C 2.325 180.012 177.584 0.172 0.000 1.186 584 A CA 1.513 53.639 52.037 0.149 0.000 0.620 584 A CB -0.802 18.268 19.000 0.117 0.000 0.822 584 A HN 0.219 nan 8.150 nan 0.000 0.443 585 V N -0.040 119.858 119.914 -0.028 0.000 2.295 585 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 585 V C 2.658 178.805 176.094 0.089 0.000 1.049 585 V CA 2.245 64.541 62.300 -0.008 0.000 1.024 585 V CB -0.826 30.919 31.823 -0.131 0.000 0.648 585 V HN 0.507 nan 8.190 nan 0.000 0.447 586 R N -0.368 120.168 120.500 0.059 0.000 2.081 586 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 586 R C 2.413 178.784 176.300 0.119 0.000 1.131 586 R CA 1.909 58.049 56.100 0.068 0.000 0.960 586 R CB -0.660 29.666 30.300 0.043 0.000 0.856 586 R HN 0.507 nan 8.270 nan 0.000 0.436 587 T N 0.356 115.023 114.554 0.189 0.000 2.746 587 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 587 T C 1.430 176.351 174.700 0.368 0.000 1.039 587 T CA 1.393 63.673 62.100 0.300 0.000 1.142 587 T CB -0.399 68.646 68.868 0.295 0.000 0.866 587 T HN 0.320 nan 8.240 nan 0.000 0.444 588 Y N 2.015 122.406 120.300 0.153 0.000 2.114 588 Y HA -0.192 4.357 4.550 -0.001 0.000 0.284 588 Y C 2.504 178.404 175.900 -0.001 0.000 1.143 588 Y CA 1.434 59.485 58.100 -0.082 0.000 1.135 588 Y CB -0.586 37.646 38.460 -0.381 0.000 0.980 588 Y HN 0.217 nan 8.280 nan 0.000 0.499 589 Q N 0.022 119.730 119.800 -0.152 0.000 2.135 589 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 589 Q C 2.094 177.985 176.000 -0.181 0.000 0.981 589 Q CA 2.086 57.751 55.803 -0.229 0.000 0.856 589 Q CB -0.188 28.517 28.738 -0.054 0.000 0.902 589 Q HN 0.657 nan 8.270 nan 0.000 0.425 590 E N -0.719 119.439 120.200 -0.069 0.000 2.208 590 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 590 E C 1.331 177.824 176.600 -0.180 0.000 0.988 590 E CA 0.786 57.127 56.400 -0.098 0.000 0.828 590 E CB 0.102 29.765 29.700 -0.061 0.000 0.763 590 E HN 0.482 nan 8.360 nan 0.000 0.478 591 H N -0.139 118.873 119.070 -0.096 0.000 2.595 591 H HA 0.111 4.666 4.556 -0.001 0.000 0.265 591 H C 1.735 176.985 175.328 -0.130 0.000 0.953 591 H CA 0.429 56.442 56.048 -0.058 0.000 1.197 591 H CB 0.374 30.162 29.762 0.043 0.000 1.438 591 H HN -0.063 nan 8.280 nan 0.000 0.531 592 K N 1.096 121.368 120.400 -0.213 0.000 2.044 592 K HA -0.198 4.122 4.320 -0.001 0.000 0.210 592 K C 2.155 178.676 176.600 -0.132 0.000 1.049 592 K CA 1.425 57.517 56.287 -0.324 0.000 0.927 592 K CB -0.162 31.971 32.500 -0.613 0.000 0.713 592 K HN 0.285 nan 8.250 nan 0.000 0.443 593 A N 0.463 123.216 122.820 -0.111 0.000 2.019 593 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 593 A C 1.840 179.412 177.584 -0.021 0.000 1.164 593 A CA 1.883 53.883 52.037 -0.062 0.000 0.644 593 A CB -0.340 18.622 19.000 -0.065 0.000 0.805 593 A HN 0.529 nan 8.150 nan 0.000 0.449 594 S N -1.824 113.876 115.700 0.001 0.000 2.568 594 S HA 0.487 4.957 4.470 -0.001 0.000 0.232 594 S C 0.447 175.099 174.600 0.086 0.000 0.975 594 S CA -0.450 57.777 58.200 0.045 0.000 0.949 594 S CB -0.295 62.933 63.200 0.046 0.000 0.829 594 S HN 0.411 nan 8.310 nan 0.000 0.479 595 M N 2.072 121.718 119.600 0.077 0.000 2.283 595 M HA 0.296 4.775 4.480 -0.001 0.000 0.314 595 M C 0.638 177.001 176.300 0.104 0.000 1.153 595 M CA -0.610 54.760 55.300 0.117 0.000 1.084 595 M CB 0.480 33.149 32.600 0.116 0.000 1.468 595 M HN 0.287 nan 8.290 nan 0.000 0.474 596 H N 3.449 122.548 119.070 0.049 0.000 3.001 596 H HA 0.018 4.574 4.556 -0.001 0.000 0.334 596 H C -1.822 173.500 175.328 -0.010 0.000 1.034 596 H CA -0.527 55.528 56.048 0.011 0.000 1.420 596 H CB 0.873 30.646 29.762 0.018 0.000 1.405 596 H HN 0.363 nan 8.280 nan 0.000 0.593 597 P HA -0.162 nan 4.420 nan 0.000 0.216 597 P C 1.654 178.970 177.300 0.027 0.000 1.150 597 P CA 0.795 63.822 63.100 -0.123 0.000 0.837 597 P CB 0.323 31.896 31.700 -0.212 0.000 0.786 598 V N 0.217 120.231 119.914 0.166 0.000 2.379 598 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 598 V C 2.592 178.749 176.094 0.105 0.000 1.044 598 V CA 2.485 64.872 62.300 0.144 0.000 1.036 598 V CB -1.900 30.004 31.823 0.135 0.000 0.664 598 V HN 0.169 nan 8.190 nan 0.000 0.453 599 T N 0.648 115.280 114.554 0.130 0.000 2.746 599 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 599 T C 2.099 176.847 174.700 0.080 0.000 1.039 599 T CA 1.560 63.684 62.100 0.040 0.000 1.142 599 T CB -0.453 68.423 68.868 0.015 0.000 0.866 599 T HN 0.548 nan 8.240 nan 0.000 0.444 600 A N 2.183 125.077 122.820 0.124 0.000 1.908 600 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 600 A C 2.313 179.996 177.584 0.164 0.000 1.181 600 A CA 1.722 53.867 52.037 0.180 0.000 0.627 600 A CB -0.720 18.344 19.000 0.108 0.000 0.818 600 A HN 0.400 nan 8.150 nan 0.000 0.445 601 M N -0.328 119.329 119.600 0.095 0.000 2.086 601 M HA -0.087 4.393 4.480 -0.001 0.000 0.261 601 M C 1.971 178.284 176.300 0.021 0.000 1.067 601 M CA 1.783 57.123 55.300 0.067 0.000 1.116 601 M CB -0.727 31.909 32.600 0.060 0.000 1.348 601 M HN 0.432 nan 8.290 nan 0.000 0.407 602 L N -0.667 120.560 121.223 0.006 0.000 2.072 602 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 602 L C 2.411 179.224 176.870 -0.094 0.000 1.079 602 L CA 0.525 55.351 54.840 -0.022 0.000 0.752 602 L CB -0.645 41.412 42.059 -0.003 0.000 0.906 602 L HN 0.087 nan 8.230 nan 0.000 0.436 603 V N 0.236 120.059 119.914 -0.151 0.000 2.343 603 V HA -0.202 3.918 4.120 -0.001 0.000 0.247 603 V C 2.650 178.366 176.094 -0.630 0.000 1.051 603 V CA 1.979 64.056 62.300 -0.373 0.000 1.036 603 V CB -1.323 30.211 31.823 -0.481 0.000 0.654 603 V HN 0.564 nan 8.190 nan 0.000 0.451 604 G N -0.195 108.251 108.800 -0.590 0.000 2.446 604 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 604 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 604 G C 1.675 176.433 174.900 -0.237 0.000 1.168 604 G CA 0.976 45.788 45.100 -0.481 0.000 0.771 604 G HN 0.472 nan 8.290 nan 0.000 0.551 605 K N 0.171 120.493 120.400 -0.132 0.000 2.057 605 K HA -0.070 4.249 4.320 -0.001 0.000 0.207 605 K C 2.194 178.749 176.600 -0.075 0.000 1.049 605 K CA 1.272 57.520 56.287 -0.064 0.000 0.931 605 K CB -0.145 32.346 32.500 -0.016 0.000 0.714 605 K HN 0.139 nan 8.250 nan 0.000 0.440 606 D N 1.004 121.338 120.400 -0.109 0.000 2.123 606 D HA -0.141 4.499 4.640 -0.001 0.000 0.196 606 D C 1.699 177.943 176.300 -0.093 0.000 0.992 606 D CA 1.117 55.066 54.000 -0.085 0.000 0.833 606 D CB -0.054 40.693 40.800 -0.087 0.000 0.954 606 D HN 0.154 nan 8.370 nan 0.000 0.455 607 L N -0.229 120.886 121.223 -0.181 0.000 2.591 607 L HA 0.099 4.439 4.340 -0.001 0.000 0.228 607 L C 0.344 177.171 176.870 -0.072 0.000 1.133 607 L CA 0.063 54.815 54.840 -0.147 0.000 0.880 607 L CB -0.131 41.748 42.059 -0.301 0.000 1.033 607 L HN -0.044 nan 8.230 nan 0.000 0.450 608 K N -0.007 120.355 120.400 -0.064 0.000 3.096 608 K HA -0.152 4.168 4.320 -0.001 0.000 0.266 608 K C -0.692 175.906 176.600 -0.004 0.000 1.043 608 K CA 0.053 56.330 56.287 -0.017 0.000 0.758 608 K CB -1.714 30.795 32.500 0.015 0.000 1.260 608 K HN 0.074 nan 8.250 nan 0.000 0.481 609 V N 1.980 121.875 119.914 -0.031 0.000 2.384 609 V HA 0.170 4.290 4.120 -0.001 0.000 0.287 609 V C 0.348 176.483 176.094 0.069 0.000 1.020 609 V CA -0.778 61.542 62.300 0.033 0.000 0.850 609 V CB 1.620 33.486 31.823 0.071 0.000 0.987 609 V HN 0.325 nan 8.190 nan 0.000 0.436 610 D N 0.000 120.441 120.400 0.069 0.000 6.856 610 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 610 D CA 0.000 54.040 54.000 0.067 0.000 0.868 610 D CB 0.000 40.827 40.800 0.045 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683