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 2a73_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREXXXXXXR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVX XLRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.558 174.600 -0.070 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 2 P HA 0.608 nan 4.420 nan 0.000 0.282 2 P C -1.028 176.052 177.300 -0.366 0.000 1.287 2 P CA -0.780 62.155 63.100 -0.276 0.000 0.792 2 P CB 0.629 32.106 31.700 -0.371 0.000 1.163 3 M N 0.338 119.605 119.600 -0.554 0.000 2.371 3 M HA 0.318 4.798 4.480 -0.000 0.000 0.287 3 M C -1.953 173.989 176.300 -0.597 0.000 1.149 3 M CA -0.490 54.565 55.300 -0.408 0.000 0.929 3 M CB 1.962 34.520 32.600 -0.069 0.000 1.683 3 M HN 0.349 nan 8.290 nan 0.000 0.470 4 Y N 1.136 121.366 120.300 -0.116 0.000 2.350 4 Y HA 0.557 5.107 4.550 -0.000 0.000 0.338 4 Y C 0.296 176.038 175.900 -0.263 0.000 0.961 4 Y CA -0.799 57.068 58.100 -0.388 0.000 1.100 4 Y CB 1.965 40.005 38.460 -0.700 0.000 1.179 4 Y HN 0.584 nan 8.280 nan 0.000 0.454 5 S N 3.267 118.886 115.700 -0.136 0.000 2.473 5 S HA 0.738 5.208 4.470 -0.000 0.000 0.307 5 S C -1.115 173.418 174.600 -0.113 0.000 1.094 5 S CA -0.673 57.407 58.200 -0.200 0.000 1.070 5 S CB 1.489 64.641 63.200 -0.080 0.000 1.019 5 S HN 0.653 nan 8.310 nan 0.000 0.480 6 I N 3.498 123.944 120.570 -0.207 0.000 2.389 6 I HA 0.622 4.792 4.170 -0.000 0.000 0.288 6 I C -1.506 174.502 176.117 -0.181 0.000 0.999 6 I CA -1.031 60.225 61.300 -0.073 0.000 1.129 6 I CB 0.701 38.707 38.000 0.010 0.000 1.288 6 I HN 0.790 nan 8.210 nan 0.000 0.444 7 I N 6.837 127.379 120.570 -0.047 0.000 2.418 7 I HA 0.514 4.684 4.170 -0.000 0.000 0.287 7 I C -0.300 175.855 176.117 0.063 0.000 1.008 7 I CA -0.396 60.909 61.300 0.009 0.000 1.104 7 I CB 1.996 40.077 38.000 0.136 0.000 1.264 7 I HN 0.600 nan 8.210 nan 0.000 0.438 8 T N 5.907 120.497 114.554 0.060 0.000 2.923 8 T HA 0.517 4.867 4.350 -0.000 0.000 0.311 8 T C -2.866 171.875 174.700 0.068 0.000 1.183 8 T CA -1.950 60.186 62.100 0.059 0.000 1.020 8 T CB 2.173 71.068 68.868 0.045 0.000 1.165 8 T HN 0.096 nan 8.240 nan 0.000 0.482 9 P HA 0.139 nan 4.420 nan 0.000 0.269 9 P C 0.657 177.986 177.300 0.048 0.000 1.211 9 P CA 0.155 63.288 63.100 0.054 0.000 0.781 9 P CB 0.419 32.130 31.700 0.019 0.000 0.877 10 N N 0.306 119.039 118.700 0.054 0.000 2.039 10 N HA -0.094 4.646 4.740 -0.000 0.000 0.193 10 N C 0.230 175.757 175.510 0.028 0.000 1.044 10 N CA 0.849 53.929 53.050 0.050 0.000 0.847 10 N CB -0.119 38.400 38.487 0.054 0.000 1.030 10 N HN 0.351 nan 8.380 nan 0.000 0.422 11 I N 1.493 122.067 120.570 0.005 0.000 2.378 11 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 11 I C -0.833 175.259 176.117 -0.042 0.000 0.992 11 I CA -0.472 60.813 61.300 -0.025 0.000 1.154 11 I CB 2.082 40.058 38.000 -0.040 0.000 1.315 11 I HN -0.017 nan 8.210 nan 0.000 0.448 12 L N 6.780 127.976 121.223 -0.046 0.000 2.259 12 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 12 L C 0.464 177.294 176.870 -0.067 0.000 1.051 12 L CA -0.644 54.163 54.840 -0.054 0.000 0.824 12 L CB 0.424 42.467 42.059 -0.028 0.000 1.206 12 L HN 0.661 nan 8.230 nan 0.000 0.429 13 R N 3.614 124.060 120.500 -0.090 0.000 2.442 13 R HA 0.426 4.766 4.340 -0.000 0.000 0.291 13 R C -0.607 175.667 176.300 -0.043 0.000 1.069 13 R CA -0.655 55.394 56.100 -0.085 0.000 1.022 13 R CB 0.570 30.771 30.300 -0.164 0.000 0.976 13 R HN 0.445 nan 8.270 nan 0.000 0.443 14 L N 2.198 123.412 121.223 -0.015 0.000 2.452 14 L HA 0.040 4.380 4.340 -0.000 0.000 0.267 14 L C 0.739 177.618 176.870 0.015 0.000 1.188 14 L CA 0.205 55.046 54.840 0.002 0.000 0.821 14 L CB 0.294 42.355 42.059 0.004 0.000 1.102 14 L HN 0.892 nan 8.230 nan 0.000 0.470 15 E N 0.565 120.774 120.200 0.015 0.000 2.360 15 E HA -0.230 4.120 4.350 -0.000 0.000 0.238 15 E C -0.757 175.853 176.600 0.017 0.000 1.186 15 E CA 0.647 57.055 56.400 0.014 0.000 0.719 15 E CB -0.449 29.252 29.700 0.002 0.000 1.236 15 E HN 0.477 nan 8.360 nan 0.000 0.386 16 S N -0.448 115.257 115.700 0.009 0.000 2.556 16 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 16 S C -1.307 173.270 174.600 -0.037 0.000 1.135 16 S CA -0.742 57.471 58.200 0.021 0.000 0.858 16 S CB 1.729 64.982 63.200 0.089 0.000 1.114 16 S HN 0.284 nan 8.310 nan 0.000 0.468 17 E N 2.172 122.358 120.200 -0.023 0.000 2.292 17 E HA 0.181 4.531 4.350 -0.000 0.000 0.265 17 E C -0.684 175.848 176.600 -0.113 0.000 1.093 17 E CA 0.515 56.878 56.400 -0.062 0.000 0.922 17 E CB 0.308 29.997 29.700 -0.020 0.000 1.001 17 E HN 0.382 nan 8.360 nan 0.000 0.444 18 E N 3.263 123.321 120.200 -0.237 0.000 2.222 18 E HA 0.289 4.639 4.350 -0.000 0.000 0.267 18 E C -0.906 175.528 176.600 -0.276 0.000 0.884 18 E CA -0.729 55.507 56.400 -0.274 0.000 0.764 18 E CB 2.009 31.478 29.700 -0.384 0.000 1.169 18 E HN 0.411 nan 8.360 nan 0.000 0.413 19 T N 2.517 116.990 114.554 -0.135 0.000 2.767 19 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 19 T C 0.073 174.765 174.700 -0.014 0.000 0.973 19 T CA -0.453 61.614 62.100 -0.055 0.000 0.996 19 T CB 0.468 69.332 68.868 -0.007 0.000 0.927 19 T HN 0.204 nan 8.240 nan 0.000 0.456 20 M N 4.866 124.493 119.600 0.045 0.000 2.131 20 M HA 0.358 4.838 4.480 -0.000 0.000 0.345 20 M C -0.938 175.422 176.300 0.101 0.000 1.060 20 M CA -0.417 54.940 55.300 0.096 0.000 1.011 20 M CB 0.266 32.978 32.600 0.186 0.000 1.328 20 M HN 0.321 nan 8.290 nan 0.000 0.396 21 V N 6.148 126.120 119.914 0.097 0.000 2.508 21 V HA 0.259 4.379 4.120 -0.000 0.000 0.281 21 V C 0.015 176.187 176.094 0.130 0.000 1.041 21 V CA -0.070 62.296 62.300 0.110 0.000 1.016 21 V CB 0.219 32.115 31.823 0.123 0.000 0.984 21 V HN 0.677 nan 8.190 nan 0.000 0.478 22 L N 5.282 126.589 121.223 0.141 0.000 2.354 22 L HA 0.741 5.081 4.340 -0.000 0.000 0.269 22 L C -0.100 176.855 176.870 0.141 0.000 1.005 22 L CA -0.511 54.444 54.840 0.191 0.000 0.819 22 L CB 2.199 44.421 42.059 0.272 0.000 1.311 22 L HN 0.584 nan 8.230 nan 0.000 0.423 23 E N 0.498 120.742 120.200 0.073 0.000 2.459 23 E HA 0.828 5.178 4.350 -0.000 0.000 0.275 23 E C -1.492 174.964 176.600 -0.240 0.000 0.987 23 E CA -1.059 55.301 56.400 -0.066 0.000 0.828 23 E CB 2.652 32.282 29.700 -0.117 0.000 1.428 23 E HN 0.608 nan 8.360 nan 0.000 0.457 24 A N 1.552 124.151 122.820 -0.368 0.000 2.414 24 A HA 0.438 4.758 4.320 -0.000 0.000 0.286 24 A C -1.576 175.670 177.584 -0.564 0.000 1.073 24 A CA -0.687 51.042 52.037 -0.513 0.000 0.727 24 A CB 0.652 19.311 19.000 -0.569 0.000 1.215 24 A HN 0.525 nan 8.150 nan 0.000 0.430 25 H N 2.214 121.130 119.070 -0.257 0.000 2.552 25 H HA 0.259 4.815 4.556 -0.000 0.000 0.311 25 H C -0.764 174.438 175.328 -0.210 0.000 1.071 25 H CA 0.279 56.255 56.048 -0.120 0.000 1.307 25 H CB 0.915 30.660 29.762 -0.030 0.000 1.416 25 H HN 0.796 nan 8.280 nan 0.000 0.464 26 D N 1.817 122.222 120.400 0.008 0.000 3.620 26 D HA -0.114 4.526 4.640 -0.000 0.000 0.237 26 D C -0.566 175.676 176.300 -0.097 0.000 1.111 26 D CA 0.775 54.761 54.000 -0.023 0.000 1.070 26 D CB -0.763 40.027 40.800 -0.018 0.000 0.891 26 D HN 0.756 nan 8.370 nan 0.000 0.412 27 A N 2.569 125.342 122.820 -0.079 0.000 2.437 27 A HA 0.431 4.751 4.320 -0.000 0.000 0.293 27 A C -0.188 177.415 177.584 0.032 0.000 1.038 27 A CA -0.812 51.195 52.037 -0.050 0.000 0.708 27 A CB 1.665 20.596 19.000 -0.114 0.000 1.251 27 A HN 0.101 nan 8.150 nan 0.000 0.409 28 Q N 1.460 121.289 119.800 0.048 0.000 2.296 28 Q HA 0.463 4.803 4.340 -0.000 0.000 0.263 28 Q C 0.922 176.970 176.000 0.079 0.000 1.026 28 Q CA 1.409 57.251 55.803 0.064 0.000 0.912 28 Q CB 0.918 29.684 28.738 0.048 0.000 1.198 28 Q HN 1.899 nan 8.270 nan 0.000 0.407 29 G N 3.572 112.432 108.800 0.100 0.000 2.584 29 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.229 29 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.229 29 G C -0.921 174.075 174.900 0.161 0.000 1.320 29 G CA -0.136 45.026 45.100 0.103 0.000 0.891 29 G HN 0.748 nan 8.290 nan 0.000 0.573 30 D N -1.275 119.203 120.400 0.130 0.000 2.419 30 D HA 0.636 5.276 4.640 -0.000 0.000 0.234 30 D C -0.897 175.473 176.300 0.116 0.000 1.014 30 D CA -0.536 53.559 54.000 0.158 0.000 0.919 30 D CB 2.290 43.165 40.800 0.125 0.000 1.366 30 D HN 1.086 nan 8.370 nan 0.000 0.490 31 V N 0.843 120.834 119.914 0.129 0.000 2.638 31 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 31 V C -2.615 173.538 176.094 0.099 0.000 1.052 31 V CA -1.933 60.429 62.300 0.104 0.000 0.885 31 V CB 2.244 34.136 31.823 0.114 0.000 0.999 31 V HN 0.514 nan 8.190 nan 0.000 0.424 32 P HA 0.227 nan 4.420 nan 0.000 0.268 32 P C -1.162 176.132 177.300 -0.011 0.000 1.205 32 P CA 0.149 63.262 63.100 0.021 0.000 0.771 32 P CB 1.097 32.797 31.700 -0.001 0.000 0.858 33 V N 2.825 122.715 119.914 -0.039 0.000 2.525 33 V HA 0.422 4.542 4.120 -0.000 0.000 0.299 33 V C 0.184 176.190 176.094 -0.147 0.000 1.034 33 V CA -0.524 61.686 62.300 -0.149 0.000 0.863 33 V CB 1.768 33.514 31.823 -0.127 0.000 0.999 33 V HN 0.716 nan 8.190 nan 0.000 0.423 34 T N 1.290 115.729 114.554 -0.191 0.000 2.824 34 T HA 0.792 5.142 4.350 -0.000 0.000 0.282 34 T C -0.504 174.075 174.700 -0.202 0.000 0.993 34 T CA -0.814 61.190 62.100 -0.160 0.000 0.967 34 T CB 1.719 70.513 68.868 -0.123 0.000 0.960 34 T HN 0.805 nan 8.240 nan 0.000 0.441 35 V N 0.071 119.870 119.914 -0.192 0.000 2.513 35 V HA 0.942 5.062 4.120 -0.000 0.000 0.299 35 V C -0.033 175.894 176.094 -0.279 0.000 1.035 35 V CA -0.534 61.638 62.300 -0.214 0.000 0.889 35 V CB 1.068 32.792 31.823 -0.166 0.000 0.988 35 V HN 1.221 nan 8.190 nan 0.000 0.440 36 T N 2.888 117.289 114.554 -0.255 0.000 2.916 36 T HA 0.718 5.068 4.350 -0.000 0.000 0.305 36 T C -1.196 173.314 174.700 -0.316 0.000 1.119 36 T CA -0.356 61.549 62.100 -0.324 0.000 1.008 36 T CB 1.839 70.558 68.868 -0.247 0.000 1.129 36 T HN 0.907 nan 8.240 nan 0.000 0.480 37 V N 4.533 124.195 119.914 -0.419 0.000 2.555 37 V HA 0.627 4.747 4.120 -0.000 0.000 0.302 37 V C -0.728 175.123 176.094 -0.406 0.000 1.038 37 V CA -0.823 61.320 62.300 -0.263 0.000 0.887 37 V CB 1.479 33.240 31.823 -0.103 0.000 0.991 37 V HN 1.038 nan 8.190 nan 0.000 0.434 38 H N 0.590 119.674 119.070 0.023 0.000 2.731 38 H HA 0.513 5.069 4.556 -0.000 0.000 0.368 38 H C -0.739 174.644 175.328 0.092 0.000 1.168 38 H CA -0.733 55.341 56.048 0.044 0.000 1.181 38 H CB 1.388 31.174 29.762 0.041 0.000 1.743 38 H HN 0.651 nan 8.280 nan 0.000 0.547 39 D N 0.727 121.257 120.400 0.217 0.000 2.382 39 D HA 0.047 4.687 4.640 -0.000 0.000 0.245 39 D C -1.001 175.444 176.300 0.243 0.000 1.120 39 D CA -0.057 54.059 54.000 0.193 0.000 0.890 39 D CB 0.379 41.252 40.800 0.122 0.000 1.201 39 D HN 0.239 nan 8.370 nan 0.000 0.433 40 F N 4.917 124.930 119.950 0.106 0.000 2.411 40 F HA 0.521 5.048 4.527 -0.000 0.000 0.352 40 F C -2.322 173.518 175.800 0.067 0.000 1.123 40 F CA -2.032 56.017 58.000 0.082 0.000 1.044 40 F CB 1.160 40.218 39.000 0.095 0.000 1.135 40 F HN 0.135 nan 8.300 nan 0.000 0.461 41 P HA 0.767 nan 4.420 nan 0.000 0.298 41 P C -0.880 176.368 177.300 -0.086 0.000 1.314 41 P CA -0.438 62.520 63.100 -0.236 0.000 0.854 41 P CB 1.916 33.411 31.700 -0.341 0.000 1.019 42 G N 1.211 110.014 108.800 0.006 0.000 2.377 42 G HA2 0.222 4.182 3.960 -0.000 0.000 0.297 42 G HA3 0.222 4.182 3.960 -0.000 0.000 0.297 42 G C -1.557 173.364 174.900 0.035 0.000 1.547 42 G CA -0.931 44.173 45.100 0.007 0.000 0.833 42 G HN 0.323 nan 8.290 nan 0.000 0.583 43 K N 1.003 121.415 120.400 0.019 0.000 2.187 43 K HA 0.216 4.536 4.320 -0.000 0.000 0.242 43 K C 1.070 177.726 176.600 0.093 0.000 1.179 43 K CA -0.279 56.035 56.287 0.045 0.000 1.097 43 K CB 1.067 33.571 32.500 0.006 0.000 1.634 43 K HN 0.476 nan 8.250 nan 0.000 0.335 44 K N 1.873 122.362 120.400 0.149 0.000 2.216 44 K HA 0.098 4.418 4.320 -0.000 0.000 0.207 44 K C -0.153 176.499 176.600 0.085 0.000 1.041 44 K CA 0.084 56.430 56.287 0.099 0.000 0.966 44 K CB 0.248 32.797 32.500 0.082 0.000 0.955 44 K HN 0.319 nan 8.250 nan 0.000 0.468 45 L N 0.854 122.125 121.223 0.081 0.000 2.794 45 L HA -0.155 4.185 4.340 -0.000 0.000 0.613 45 L C 0.020 176.829 176.870 -0.102 0.000 1.002 45 L CA 0.312 55.080 54.840 -0.120 0.000 1.323 45 L CB -0.540 41.495 42.059 -0.040 0.000 1.787 45 L HN 0.179 nan 8.230 nan 0.000 0.859 46 V N 2.315 122.144 119.914 -0.141 0.000 3.431 46 V HA 0.490 4.610 4.120 -0.000 0.000 0.253 46 V C 0.472 176.502 176.094 -0.106 0.000 1.184 46 V CA 0.923 63.178 62.300 -0.075 0.000 1.104 46 V CB 0.716 32.528 31.823 -0.019 0.000 0.799 46 V HN 0.711 nan 8.190 nan 0.000 0.462 47 L N 0.600 121.697 121.223 -0.210 0.000 2.455 47 L HA 0.714 5.054 4.340 -0.000 0.000 0.264 47 L C 0.697 177.408 176.870 -0.265 0.000 0.968 47 L CA 0.654 55.342 54.840 -0.252 0.000 0.827 47 L CB 2.353 44.140 42.059 -0.454 0.000 1.317 47 L HN 0.206 nan 8.230 nan 0.000 0.407 48 S N 1.587 117.174 115.700 -0.189 0.000 2.500 48 S HA 0.160 4.630 4.470 -0.000 0.000 0.174 48 S C 1.283 175.789 174.600 -0.157 0.000 0.857 48 S CA 0.563 58.672 58.200 -0.151 0.000 0.905 48 S CB -0.608 62.536 63.200 -0.093 0.000 0.819 48 S HN 0.786 nan 8.310 nan 0.000 0.557 49 S N 1.153 116.781 115.700 -0.121 0.000 2.240 49 S HA 0.238 4.708 4.470 -0.000 0.000 0.154 49 S C -0.285 174.242 174.600 -0.122 0.000 1.332 49 S CA 0.084 58.222 58.200 -0.103 0.000 2.219 49 S CB -0.877 62.283 63.200 -0.066 0.000 0.433 49 S HN 0.561 nan 8.310 nan 0.000 0.355 50 E N 1.225 121.375 120.200 -0.083 0.000 3.117 50 E HA -0.116 4.234 4.350 -0.000 0.000 0.156 50 E C -1.023 175.542 176.600 -0.058 0.000 1.699 50 E CA 0.617 56.981 56.400 -0.061 0.000 0.728 50 E CB -1.382 28.269 29.700 -0.081 0.000 1.091 50 E HN 0.783 nan 8.360 nan 0.000 0.369 51 K N -0.369 120.008 120.400 -0.037 0.000 2.123 51 K HA 0.767 5.087 4.320 -0.000 0.000 0.259 51 K C -0.044 176.550 176.600 -0.010 0.000 0.960 51 K CA -0.684 55.581 56.287 -0.035 0.000 0.872 51 K CB 2.234 34.715 32.500 -0.032 0.000 1.079 51 K HN 0.129 nan 8.250 nan 0.000 0.440 52 T N 0.718 115.270 114.554 -0.005 0.000 2.916 52 T HA 0.469 4.819 4.350 -0.000 0.000 0.305 52 T C -1.545 173.178 174.700 0.039 0.000 1.119 52 T CA -0.805 61.309 62.100 0.023 0.000 1.008 52 T CB 1.261 70.152 68.868 0.040 0.000 1.129 52 T HN 0.351 nan 8.240 nan 0.000 0.480 53 V N 5.686 125.629 119.914 0.048 0.000 2.370 53 V HA 0.435 4.555 4.120 -0.000 0.000 0.283 53 V C 0.304 176.453 176.094 0.091 0.000 1.023 53 V CA -0.774 61.565 62.300 0.064 0.000 0.857 53 V CB 1.309 33.159 31.823 0.044 0.000 0.985 53 V HN 0.803 nan 8.190 nan 0.000 0.443 54 L N 4.935 126.248 121.223 0.149 0.000 2.382 54 L HA 0.176 4.516 4.340 -0.000 0.000 0.259 54 L C 0.752 177.751 176.870 0.214 0.000 1.291 54 L CA 0.150 55.127 54.840 0.229 0.000 1.176 54 L CB -0.383 41.871 42.059 0.325 0.000 1.373 54 L HN 0.675 nan 8.230 nan 0.000 0.426 55 T N 2.871 117.441 114.554 0.026 0.000 2.888 55 T HA 0.056 4.406 4.350 -0.000 0.000 0.301 55 T C -1.415 173.073 174.700 -0.352 0.000 1.001 55 T CA -0.889 61.164 62.100 -0.079 0.000 1.147 55 T CB 1.099 69.931 68.868 -0.060 0.000 0.931 55 T HN 0.266 nan 8.240 nan 0.000 0.541 56 P HA -0.020 nan 4.420 nan 0.000 0.220 56 P C 1.234 178.351 177.300 -0.306 0.000 1.148 56 P CA 0.488 63.292 63.100 -0.494 0.000 0.803 56 P CB 0.060 31.685 31.700 -0.124 0.000 0.782 57 A N -0.665 122.046 122.820 -0.181 0.000 2.168 57 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 57 A C 1.493 179.004 177.584 -0.122 0.000 1.152 57 A CA 1.727 53.694 52.037 -0.116 0.000 0.716 57 A CB -1.292 17.666 19.000 -0.069 0.000 0.794 57 A HN 0.325 nan 8.150 nan 0.000 0.465 58 T N -4.405 110.047 114.554 -0.170 0.000 3.380 58 T HA 0.255 4.605 4.350 -0.000 0.000 0.289 58 T C 0.193 174.785 174.700 -0.178 0.000 1.012 58 T CA -0.030 61.990 62.100 -0.134 0.000 0.944 58 T CB -0.372 68.445 68.868 -0.085 0.000 1.172 58 T HN 0.336 nan 8.240 nan 0.000 0.502 59 N N 2.549 121.091 118.700 -0.264 0.000 2.732 59 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 59 N C -0.544 174.862 175.510 -0.173 0.000 1.097 59 N CA 1.674 54.572 53.050 -0.253 0.000 0.812 59 N CB -1.875 36.488 38.487 -0.206 0.000 1.148 59 N HN 0.863 nan 8.380 nan 0.000 0.572 60 H N -2.681 116.342 119.070 -0.079 0.000 3.025 60 H HA -0.138 4.418 4.556 -0.000 0.000 0.350 60 H C -0.046 175.255 175.328 -0.045 0.000 1.201 60 H CA 1.016 57.031 56.048 -0.055 0.000 1.164 60 H CB -1.534 28.181 29.762 -0.078 0.000 1.593 60 H HN 0.281 nan 8.280 nan 0.000 0.420 61 M N 1.152 120.776 119.600 0.040 0.000 2.336 61 M HA 0.531 5.011 4.480 -0.000 0.000 0.342 61 M C 0.974 177.311 176.300 0.063 0.000 1.128 61 M CA -0.132 55.191 55.300 0.038 0.000 1.016 61 M CB 2.342 34.945 32.600 0.006 0.000 1.665 61 M HN 0.575 nan 8.290 nan 0.000 0.445 62 G N 2.178 111.024 108.800 0.076 0.000 2.732 62 G HA2 0.408 4.368 3.960 -0.000 0.000 0.295 62 G HA3 0.408 4.368 3.960 -0.000 0.000 0.295 62 G C -0.191 174.756 174.900 0.078 0.000 1.456 62 G CA -0.374 44.778 45.100 0.086 0.000 1.050 62 G HN 0.678 nan 8.290 nan 0.000 0.525 63 N N 0.301 119.041 118.700 0.066 0.000 2.517 63 N HA -0.033 4.707 4.740 -0.000 0.000 0.202 63 N C 1.483 177.042 175.510 0.082 0.000 1.042 63 N CA 1.392 54.480 53.050 0.063 0.000 0.952 63 N CB -0.022 38.494 38.487 0.048 0.000 1.211 63 N HN 1.128 nan 8.380 nan 0.000 0.458 64 V N 1.406 121.371 119.914 0.084 0.000 5.881 64 V HA -0.199 3.921 4.120 -0.000 0.000 0.192 64 V C -0.174 176.037 176.094 0.195 0.000 0.719 64 V CA 0.449 62.822 62.300 0.121 0.000 0.660 64 V CB -2.923 28.961 31.823 0.102 0.000 0.675 64 V HN 0.446 nan 8.190 nan 0.000 0.401 65 T N 3.699 118.341 114.554 0.148 0.000 2.867 65 T HA 0.896 5.246 4.350 -0.000 0.000 0.282 65 T C -0.593 174.219 174.700 0.187 0.000 1.000 65 T CA -0.096 62.060 62.100 0.093 0.000 1.042 65 T CB 2.025 70.903 68.868 0.017 0.000 0.973 65 T HN 1.938 nan 8.240 nan 0.000 0.465 66 F N -1.088 118.862 119.950 0.000 0.000 2.668 66 F HA 0.710 5.237 4.527 -0.000 0.000 0.309 66 F C -0.620 175.179 175.800 -0.001 0.000 1.117 66 F CA -1.211 56.786 58.000 -0.005 0.000 0.951 66 F CB 1.183 40.174 39.000 -0.016 0.000 1.323 66 F HN 0.724 nan 8.300 nan 0.000 0.451 67 T N 0.747 115.386 114.554 0.141 0.000 2.758 67 T HA 0.691 5.041 4.350 -0.000 0.000 0.285 67 T C -0.428 174.373 174.700 0.168 0.000 0.981 67 T CA -0.527 61.609 62.100 0.060 0.000 0.965 67 T CB 0.815 69.707 68.868 0.039 0.000 0.927 67 T HN 0.704 nan 8.240 nan 0.000 0.448 68 I N 4.950 125.601 120.570 0.134 0.000 2.452 68 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 68 I C -2.088 174.075 176.117 0.078 0.000 1.079 68 I CA -2.348 59.044 61.300 0.153 0.000 1.387 68 I CB 0.476 38.561 38.000 0.142 0.000 1.404 68 I HN 0.378 nan 8.210 nan 0.000 0.522 69 P HA 0.109 nan 4.420 nan 0.000 0.269 69 P C -0.836 176.482 177.300 0.031 0.000 1.215 69 P CA -0.294 62.829 63.100 0.038 0.000 0.780 69 P CB 0.685 32.403 31.700 0.030 0.000 0.898 70 A N 2.763 125.596 122.820 0.022 0.000 2.260 70 A HA 0.461 4.781 4.320 -0.000 0.000 0.314 70 A C -0.012 177.582 177.584 0.016 0.000 1.257 70 A CA -0.272 51.775 52.037 0.017 0.000 0.871 70 A CB -0.016 18.991 19.000 0.011 0.000 1.166 70 A HN 0.553 nan 8.150 nan 0.000 0.522 71 N N 0.517 119.227 118.700 0.017 0.000 3.591 71 N HA 0.259 4.999 4.740 -0.000 0.000 0.324 71 N C -0.671 174.848 175.510 0.015 0.000 1.506 71 N CA -0.851 52.209 53.050 0.016 0.000 0.648 71 N CB 0.560 39.057 38.487 0.017 0.000 2.967 71 N HN 0.632 nan 8.380 nan 0.000 0.563 72 R N 1.763 122.272 120.500 0.016 0.000 2.549 72 R HA -0.018 4.322 4.340 -0.000 0.000 0.336 72 R C -0.400 175.908 176.300 0.013 0.000 0.891 72 R CA 0.985 57.093 56.100 0.014 0.000 1.102 72 R CB -0.115 30.194 30.300 0.014 0.000 0.899 72 R HN 0.444 nan 8.270 nan 0.000 0.407 81 N N 1.716 120.414 118.700 -0.004 0.000 2.695 81 N HA -0.146 4.594 4.740 -0.000 0.000 0.281 81 N C -1.386 174.019 175.510 -0.175 0.000 1.648 81 N CA 1.065 54.051 53.050 -0.106 0.000 1.250 81 N CB -0.084 38.343 38.487 -0.100 0.000 0.876 81 N HN 0.240 nan 8.380 nan 0.000 0.473 82 K N 1.422 121.685 120.400 -0.228 0.000 2.087 82 K HA 0.628 4.948 4.320 -0.000 0.000 0.255 82 K C -0.366 176.029 176.600 -0.340 0.000 0.988 82 K CA -0.149 56.069 56.287 -0.114 0.000 0.915 82 K CB 0.896 33.380 32.500 -0.027 0.000 1.043 82 K HN 0.310 nan 8.250 nan 0.000 0.457 83 F N 0.074 120.108 119.950 0.139 0.000 2.576 83 F HA 0.339 4.866 4.527 -0.000 0.000 0.313 83 F C -0.271 175.635 175.800 0.177 0.000 1.078 83 F CA -1.120 56.974 58.000 0.156 0.000 0.921 83 F CB 1.935 41.072 39.000 0.229 0.000 1.232 83 F HN 0.152 nan 8.300 nan 0.000 0.459 84 V N -1.222 118.866 119.914 0.290 0.000 2.735 84 V HA 0.706 4.826 4.120 -0.000 0.000 0.310 84 V C -0.540 175.650 176.094 0.159 0.000 1.061 84 V CA -0.682 61.748 62.300 0.217 0.000 0.913 84 V CB 1.351 33.262 31.823 0.146 0.000 1.005 84 V HN 0.727 nan 8.190 nan 0.000 0.428 85 T N 4.332 118.986 114.554 0.167 0.000 2.744 85 T HA 0.568 4.918 4.350 -0.000 0.000 0.291 85 T C 0.046 174.810 174.700 0.107 0.000 0.957 85 T CA -0.267 61.894 62.100 0.101 0.000 1.002 85 T CB 1.041 69.988 68.868 0.132 0.000 0.919 85 T HN 1.215 nan 8.240 nan 0.000 0.468 86 V N 2.264 122.216 119.914 0.063 0.000 2.532 86 V HA 0.681 4.801 4.120 -0.000 0.000 0.295 86 V C -0.357 175.751 176.094 0.023 0.000 1.041 86 V CA -1.046 61.284 62.300 0.049 0.000 0.926 86 V CB 1.559 33.423 31.823 0.067 0.000 0.992 86 V HN 0.734 nan 8.190 nan 0.000 0.457 87 Q N 3.007 122.803 119.800 -0.008 0.000 2.256 87 Q HA 0.774 5.114 4.340 -0.000 0.000 0.257 87 Q C -0.425 175.510 176.000 -0.108 0.000 0.936 87 Q CA -0.019 55.761 55.803 -0.038 0.000 0.903 87 Q CB 1.843 30.569 28.738 -0.020 0.000 1.263 87 Q HN 1.284 nan 8.270 nan 0.000 0.440 88 A N 3.303 126.035 122.820 -0.146 0.000 2.763 88 A HA 0.444 4.764 4.320 -0.000 0.000 0.325 88 A C -0.913 176.357 177.584 -0.523 0.000 1.209 88 A CA -0.635 51.208 52.037 -0.323 0.000 0.764 88 A CB 0.601 19.509 19.000 -0.152 0.000 1.120 88 A HN 0.663 nan 8.150 nan 0.000 0.463 89 T N 2.193 116.422 114.554 -0.542 0.000 2.728 89 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 89 T C -0.647 173.669 174.700 -0.639 0.000 0.940 89 T CA 0.445 62.286 62.100 -0.432 0.000 1.013 89 T CB -0.327 68.398 68.868 -0.239 0.000 0.912 89 T HN 0.330 nan 8.240 nan 0.000 0.484 90 F N 3.027 122.858 119.950 -0.198 0.000 2.334 90 F HA 0.515 5.042 4.527 -0.000 0.000 0.343 90 F C 1.418 177.068 175.800 -0.250 0.000 1.136 90 F CA -0.538 57.304 58.000 -0.264 0.000 1.237 90 F CB 0.215 38.913 39.000 -0.503 0.000 1.525 90 F HN 0.887 nan 8.300 nan 0.000 0.528 91 G N 1.205 109.976 108.800 -0.048 0.000 4.886 91 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.305 91 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.305 91 G C 1.100 175.970 174.900 -0.050 0.000 1.483 91 G CA 0.809 45.885 45.100 -0.040 0.000 1.029 91 G HN 0.372 nan 8.290 nan 0.000 0.746 92 T N 0.411 114.934 114.554 -0.051 0.000 3.085 92 T HA 0.323 4.673 4.350 -0.000 0.000 0.241 92 T C 0.950 175.623 174.700 -0.045 0.000 0.988 92 T CA 1.165 63.241 62.100 -0.040 0.000 1.117 92 T CB 0.202 69.057 68.868 -0.022 0.000 0.978 92 T HN 0.443 nan 8.240 nan 0.000 0.454 93 Q N 2.000 121.764 119.800 -0.060 0.000 2.296 93 Q HA 0.454 4.794 4.340 -0.000 0.000 0.262 93 Q C -1.057 174.928 176.000 -0.024 0.000 0.981 93 Q CA -0.024 55.754 55.803 -0.041 0.000 0.905 93 Q CB 1.041 29.752 28.738 -0.045 0.000 1.186 93 Q HN 0.202 nan 8.270 nan 0.000 0.399 94 V N 5.055 124.967 119.914 -0.004 0.000 2.604 94 V HA 0.688 4.808 4.120 -0.000 0.000 0.305 94 V C -1.177 174.933 176.094 0.027 0.000 1.043 94 V CA -0.698 61.596 62.300 -0.009 0.000 0.888 94 V CB 2.057 33.849 31.823 -0.051 0.000 0.995 94 V HN 0.577 nan 8.190 nan 0.000 0.429 95 V N 6.367 126.313 119.914 0.053 0.000 2.483 95 V HA 0.670 4.790 4.120 -0.000 0.000 0.295 95 V C -0.196 175.903 176.094 0.009 0.000 1.035 95 V CA -0.546 61.785 62.300 0.052 0.000 0.896 95 V CB 1.500 33.388 31.823 0.108 0.000 0.986 95 V HN 1.050 nan 8.190 nan 0.000 0.447 96 E N 2.689 122.886 120.200 -0.005 0.000 2.336 96 E HA 0.879 5.229 4.350 -0.000 0.000 0.267 96 E C -1.100 175.480 176.600 -0.034 0.000 0.906 96 E CA -1.284 55.106 56.400 -0.017 0.000 0.781 96 E CB 2.777 32.466 29.700 -0.018 0.000 1.261 96 E HN 0.469 nan 8.360 nan 0.000 0.436 97 K N 0.888 121.265 120.400 -0.038 0.000 2.523 97 K HA 0.333 4.653 4.320 -0.000 0.000 0.257 97 K C -2.003 174.551 176.600 -0.077 0.000 0.932 97 K CA -0.777 55.475 56.287 -0.057 0.000 0.812 97 K CB 2.363 34.841 32.500 -0.036 0.000 1.326 97 K HN 0.442 nan 8.250 nan 0.000 0.433 98 V N 4.593 124.423 119.914 -0.140 0.000 2.320 98 V HA 0.384 4.504 4.120 -0.000 0.000 0.265 98 V C -0.356 175.734 176.094 -0.007 0.000 1.048 98 V CA -0.767 61.417 62.300 -0.194 0.000 0.865 98 V CB 0.794 32.305 31.823 -0.519 0.000 1.043 98 V HN 0.518 nan 8.190 nan 0.000 0.474 99 V N 5.505 125.480 119.914 0.101 0.000 2.732 99 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 99 V C -0.011 176.225 176.094 0.236 0.000 1.053 99 V CA -0.886 61.502 62.300 0.148 0.000 0.957 99 V CB 1.969 33.840 31.823 0.080 0.000 1.018 99 V HN 0.663 nan 8.190 nan 0.000 0.452 100 L N 3.906 125.201 121.223 0.121 0.000 2.371 100 L HA 0.509 4.848 4.340 -0.000 0.000 0.272 100 L C -0.147 176.615 176.870 -0.181 0.000 1.124 100 L CA 0.563 55.272 54.840 -0.218 0.000 0.816 100 L CB 1.293 43.236 42.059 -0.194 0.000 1.129 100 L HN 0.480 nan 8.230 nan 0.000 0.448 101 V N 3.310 123.060 119.914 -0.274 0.000 2.713 101 V HA 0.591 4.711 4.120 -0.000 0.000 0.307 101 V C 0.023 176.031 176.094 -0.143 0.000 1.052 101 V CA -0.624 61.588 62.300 -0.147 0.000 0.967 101 V CB 1.496 33.257 31.823 -0.103 0.000 1.019 101 V HN 0.839 nan 8.190 nan 0.000 0.459 102 S N 2.857 118.501 115.700 -0.093 0.000 2.519 102 S HA 0.521 4.991 4.470 -0.000 0.000 0.309 102 S C -0.776 173.792 174.600 -0.054 0.000 1.100 102 S CA -0.544 57.608 58.200 -0.080 0.000 1.059 102 S CB 1.019 64.170 63.200 -0.081 0.000 1.008 102 S HN 0.665 nan 8.310 nan 0.000 0.478 103 L N 4.940 126.136 121.223 -0.045 0.000 2.475 103 L HA 0.505 4.845 4.340 -0.000 0.000 0.253 103 L C -0.839 176.025 176.870 -0.010 0.000 1.137 103 L CA 0.022 54.847 54.840 -0.024 0.000 1.058 103 L CB 0.200 42.245 42.059 -0.024 0.000 1.382 103 L HN 0.775 nan 8.230 nan 0.000 0.416 104 Q N 0.277 120.080 119.800 0.006 0.000 2.303 104 Q HA 0.297 4.637 4.340 -0.000 0.000 0.267 104 Q C 0.558 176.610 176.000 0.087 0.000 1.011 104 Q CA -0.088 55.737 55.803 0.037 0.000 0.740 104 Q CB 2.238 30.988 28.738 0.021 0.000 1.250 104 Q HN 0.469 nan 8.270 nan 0.000 0.458 105 S N 1.313 116.997 115.700 -0.027 0.000 2.349 105 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 105 S C 0.719 175.066 174.600 -0.422 0.000 1.033 105 S CA 1.456 59.496 58.200 -0.266 0.000 1.021 105 S CB 0.003 62.861 63.200 -0.569 0.000 0.968 105 S HN 0.845 nan 8.310 nan 0.000 0.426 106 G N -1.436 107.175 108.800 -0.315 0.000 2.667 106 G HA2 0.372 4.332 3.960 -0.000 0.000 0.081 106 G HA3 0.372 4.332 3.960 -0.000 0.000 0.081 106 G C -1.844 172.760 174.900 -0.494 0.000 1.105 106 G CA -0.610 44.190 45.100 -0.500 0.000 1.326 106 G HN 0.272 nan 8.290 nan 0.000 0.603 107 Y N 0.104 120.432 120.300 0.046 0.000 2.442 107 Y HA 0.757 5.307 4.550 -0.000 0.000 0.344 107 Y C -0.155 175.437 175.900 -0.514 0.000 0.976 107 Y CA -0.702 57.196 58.100 -0.337 0.000 1.040 107 Y CB 2.235 40.488 38.460 -0.345 0.000 1.228 107 Y HN 0.359 nan 8.280 nan 0.000 0.451 108 L N 3.864 124.372 121.223 -1.193 0.000 2.322 108 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 108 L C -1.269 175.042 176.870 -0.932 0.000 1.014 108 L CA -0.575 53.763 54.840 -0.836 0.000 0.815 108 L CB 1.152 42.815 42.059 -0.659 0.000 1.247 108 L HN 0.490 nan 8.230 nan 0.000 0.421 109 F N 3.359 123.246 119.950 -0.104 0.000 2.482 109 F HA 0.568 5.095 4.527 -0.000 0.000 0.331 109 F C -0.009 175.899 175.800 0.181 0.000 1.115 109 F CA -0.530 57.493 58.000 0.040 0.000 0.955 109 F CB 1.672 40.707 39.000 0.058 0.000 1.136 109 F HN 0.158 nan 8.300 nan 0.000 0.452 110 I N 2.884 123.648 120.570 0.323 0.000 2.389 110 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 110 I C -0.564 175.726 176.117 0.288 0.000 0.999 110 I CA -0.624 60.830 61.300 0.257 0.000 1.129 110 I CB 1.672 39.782 38.000 0.184 0.000 1.288 110 I HN 0.542 nan 8.210 nan 0.000 0.444 111 Q N 4.594 124.569 119.800 0.291 0.000 2.256 111 Q HA 0.566 4.906 4.340 -0.000 0.000 0.257 111 Q C -1.281 174.851 176.000 0.220 0.000 0.936 111 Q CA -0.457 55.511 55.803 0.276 0.000 0.903 111 Q CB 1.922 30.878 28.738 0.363 0.000 1.263 111 Q HN 0.671 nan 8.270 nan 0.000 0.440 112 T N 2.803 117.476 114.554 0.198 0.000 2.879 112 T HA 0.092 4.442 4.350 -0.000 0.000 0.290 112 T C 0.430 175.232 174.700 0.170 0.000 0.993 112 T CA -0.774 61.437 62.100 0.184 0.000 0.975 112 T CB 1.191 70.160 68.868 0.168 0.000 0.981 112 T HN 0.734 nan 8.240 nan 0.000 0.439 113 D N 2.609 123.112 120.400 0.170 0.000 2.133 113 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 113 D C 0.440 176.792 176.300 0.085 0.000 0.997 113 D CA 1.354 55.434 54.000 0.133 0.000 0.840 113 D CB 0.448 41.324 40.800 0.126 0.000 0.947 113 D HN 0.420 nan 8.370 nan 0.000 0.452 114 K N -1.548 118.867 120.400 0.025 0.000 2.409 114 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 114 K C 0.476 176.998 176.600 -0.129 0.000 1.036 114 K CA -0.244 55.929 56.287 -0.190 0.000 0.871 114 K CB 2.156 34.295 32.500 -0.602 0.000 1.374 114 K HN -0.031 nan 8.250 nan 0.000 0.459 115 T N -2.384 112.100 114.554 -0.117 0.000 2.971 115 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 115 T C 0.665 175.418 174.700 0.088 0.000 1.022 115 T CA -0.216 61.924 62.100 0.067 0.000 0.980 115 T CB -0.419 68.494 68.868 0.074 0.000 1.044 115 T HN 0.542 nan 8.240 nan 0.000 0.501 116 I N -1.460 119.027 120.570 -0.138 0.000 2.545 116 I HA 0.826 4.995 4.170 -0.000 0.000 0.292 116 I C -1.666 174.276 176.117 -0.292 0.000 1.040 116 I CA -1.671 59.596 61.300 -0.055 0.000 1.068 116 I CB 1.643 39.629 38.000 -0.023 0.000 1.251 116 I HN -0.132 nan 8.210 nan 0.000 0.424 117 Y N 1.691 122.053 120.300 0.103 0.000 2.576 117 Y HA 0.652 5.202 4.550 -0.000 0.000 0.346 117 Y C 0.213 176.132 175.900 0.032 0.000 1.018 117 Y CA -0.795 57.332 58.100 0.045 0.000 1.050 117 Y CB 2.495 40.971 38.460 0.026 0.000 1.280 117 Y HN 0.705 nan 8.280 nan 0.000 0.474 118 T N -0.249 114.414 114.554 0.183 0.000 2.837 118 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 118 T C -2.901 171.844 174.700 0.076 0.000 0.984 118 T CA -2.576 59.603 62.100 0.131 0.000 1.049 118 T CB 1.287 70.251 68.868 0.160 0.000 0.947 118 T HN 0.156 nan 8.240 nan 0.000 0.472 119 P HA 0.217 nan 4.420 nan 0.000 0.261 119 P C 1.202 178.473 177.300 -0.048 0.000 1.173 119 P CA 1.336 64.413 63.100 -0.038 0.000 0.760 119 P CB 0.126 31.827 31.700 0.002 0.000 0.783 120 G N 1.739 110.463 108.800 -0.126 0.000 2.339 120 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.209 120 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.209 120 G C 0.458 175.282 174.900 -0.127 0.000 1.015 120 G CA 0.226 45.259 45.100 -0.111 0.000 0.635 120 G HN 0.772 nan 8.290 nan 0.000 0.499 121 S N -0.065 115.571 115.700 -0.106 0.000 2.686 121 S HA 0.714 5.184 4.470 -0.000 0.000 0.270 121 S C -0.009 174.473 174.600 -0.195 0.000 1.194 121 S CA 0.602 58.760 58.200 -0.071 0.000 0.990 121 S CB 1.789 65.032 63.200 0.072 0.000 1.029 121 S HN 0.595 nan 8.310 nan 0.000 0.560 122 T N 1.258 115.731 114.554 -0.134 0.000 2.797 122 T HA 0.495 4.845 4.350 -0.000 0.000 0.279 122 T C -0.640 173.901 174.700 -0.265 0.000 0.991 122 T CA -0.577 61.401 62.100 -0.203 0.000 0.979 122 T CB 1.142 69.950 68.868 -0.101 0.000 0.943 122 T HN 0.520 nan 8.240 nan 0.000 0.444 123 V N 5.467 125.133 119.914 -0.413 0.000 2.408 123 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 123 V C 0.039 176.137 176.094 0.006 0.000 1.047 123 V CA -0.557 61.458 62.300 -0.474 0.000 0.937 123 V CB 0.342 31.783 31.823 -0.636 0.000 0.999 123 V HN 0.701 nan 8.190 nan 0.000 0.472 124 L N 7.573 128.839 121.223 0.071 0.000 2.264 124 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 124 L C -0.519 176.439 176.870 0.146 0.000 1.039 124 L CA -0.467 54.418 54.840 0.076 0.000 0.829 124 L CB 0.277 42.363 42.059 0.045 0.000 1.211 124 L HN 0.759 nan 8.230 nan 0.000 0.427 125 Y N 1.386 121.660 120.300 -0.044 0.000 2.499 125 Y HA 0.812 5.362 4.550 -0.000 0.000 0.347 125 Y C -0.597 175.254 175.900 -0.082 0.000 0.987 125 Y CA -1.325 56.751 58.100 -0.040 0.000 1.044 125 Y CB 1.424 39.860 38.460 -0.040 0.000 1.245 125 Y HN 0.354 nan 8.280 nan 0.000 0.461 126 R N 2.986 123.459 120.500 -0.045 0.000 2.740 126 R HA 0.617 4.957 4.340 -0.000 0.000 0.282 126 R C -1.462 174.667 176.300 -0.285 0.000 0.969 126 R CA -1.122 54.803 56.100 -0.291 0.000 0.918 126 R CB 2.362 32.374 30.300 -0.480 0.000 1.175 126 R HN 0.630 nan 8.270 nan 0.000 0.464 127 I N 3.155 123.505 120.570 -0.366 0.000 2.382 127 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 127 I C -0.638 175.272 176.117 -0.344 0.000 1.002 127 I CA -0.651 60.504 61.300 -0.242 0.000 1.135 127 I CB 0.852 38.774 38.000 -0.129 0.000 1.288 127 I HN 0.452 nan 8.210 nan 0.000 0.448 128 F N 4.037 124.010 119.950 0.039 0.000 2.404 128 F HA 0.307 4.834 4.527 0.000 0.000 0.358 128 F C 1.070 176.906 175.800 0.061 0.000 1.120 128 F CA -0.644 57.392 58.000 0.061 0.000 1.144 128 F CB 1.222 40.287 39.000 0.108 0.000 1.133 128 F HN 0.386 nan 8.300 nan 0.000 0.495 129 T N 1.742 116.415 114.554 0.198 0.000 2.753 129 T HA 0.703 5.053 4.350 -0.000 0.000 0.297 129 T C -0.530 174.315 174.700 0.242 0.000 0.981 129 T CA -0.669 61.548 62.100 0.196 0.000 0.956 129 T CB 0.484 69.446 68.868 0.158 0.000 0.936 129 T HN 0.462 nan 8.240 nan 0.000 0.463 130 V N 1.294 121.374 119.914 0.275 0.000 3.007 130 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 130 V C -0.289 175.898 176.094 0.154 0.000 1.120 130 V CA -1.449 60.978 62.300 0.212 0.000 0.980 130 V CB 1.686 33.654 31.823 0.241 0.000 1.033 130 V HN 0.923 nan 8.190 nan 0.000 0.429 131 N N 0.693 119.429 118.700 0.061 0.000 2.460 131 N HA 0.256 4.996 4.740 -0.000 0.000 0.296 131 N C 0.738 176.267 175.510 0.032 0.000 1.319 131 N CA 0.371 53.352 53.050 -0.115 0.000 0.945 131 N CB -0.414 37.996 38.487 -0.128 0.000 1.096 131 N HN 0.788 nan 8.380 nan 0.000 0.538 132 H N -2.195 116.962 119.070 0.145 0.000 2.470 132 H HA 0.171 4.727 4.556 -0.000 0.000 0.289 132 H C 0.994 176.484 175.328 0.270 0.000 1.033 132 H CA 0.663 56.853 56.048 0.238 0.000 1.331 132 H CB 0.314 30.141 29.762 0.109 0.000 1.414 132 H HN 0.459 nan 8.280 nan 0.000 0.545 133 K N 0.937 121.499 120.400 0.270 0.000 2.487 133 K HA 0.057 4.377 4.320 -0.000 0.000 0.192 133 K C 0.035 176.751 176.600 0.193 0.000 1.027 133 K CA 0.060 56.473 56.287 0.209 0.000 1.054 133 K CB 0.252 32.833 32.500 0.135 0.000 0.824 133 K HN 0.219 nan 8.250 nan 0.000 0.510 134 L N 0.404 121.751 121.223 0.205 0.000 4.232 134 L HA -0.257 4.083 4.340 -0.000 0.000 0.415 134 L C -0.653 176.264 176.870 0.078 0.000 1.168 134 L CA 0.129 55.044 54.840 0.126 0.000 0.966 134 L CB -1.379 40.681 42.059 0.002 0.000 2.052 134 L HN 0.193 nan 8.230 nan 0.000 0.887 135 L N 1.202 122.479 121.223 0.089 0.000 2.375 135 L HA 0.430 4.770 4.340 -0.000 0.000 0.271 135 L C -1.590 175.320 176.870 0.067 0.000 1.107 135 L CA -1.766 53.112 54.840 0.064 0.000 0.806 135 L CB 0.412 42.505 42.059 0.057 0.000 1.146 135 L HN -0.177 nan 8.230 nan 0.000 0.447 136 P HA 0.092 nan 4.420 nan 0.000 0.271 136 P C -0.916 176.420 177.300 0.059 0.000 1.216 136 P CA -0.001 63.144 63.100 0.075 0.000 0.776 136 P CB 1.845 33.585 31.700 0.067 0.000 0.881 137 V N 2.257 122.212 119.914 0.069 0.000 2.932 137 V HA 0.619 4.739 4.120 -0.000 0.000 0.307 137 V C -0.141 175.991 176.094 0.064 0.000 1.147 137 V CA -0.641 61.687 62.300 0.045 0.000 0.951 137 V CB 2.307 34.135 31.823 0.008 0.000 1.031 137 V HN 0.683 nan 8.190 nan 0.000 0.426 138 G N 6.005 114.832 108.800 0.045 0.000 2.639 138 G HA2 0.506 4.466 3.960 -0.000 0.000 0.312 138 G HA3 0.506 4.466 3.960 -0.000 0.000 0.312 138 G C -0.125 174.810 174.900 0.059 0.000 0.911 138 G CA -0.387 44.743 45.100 0.050 0.000 1.410 138 G HN 0.601 nan 8.290 nan 0.000 0.469 139 R N 1.097 121.664 120.500 0.111 0.000 2.875 139 R HA 0.525 4.865 4.340 -0.000 0.000 0.251 139 R C -0.324 176.056 176.300 0.133 0.000 1.123 139 R CA -0.658 55.524 56.100 0.138 0.000 1.064 139 R CB 1.148 31.590 30.300 0.235 0.000 1.205 139 R HN 0.330 nan 8.270 nan 0.000 0.503 140 T N 0.875 115.506 114.554 0.129 0.000 2.806 140 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 140 T C -0.373 174.373 174.700 0.076 0.000 0.966 140 T CA -0.334 61.813 62.100 0.078 0.000 1.060 140 T CB 1.102 70.004 68.868 0.057 0.000 0.927 140 T HN 0.186 nan 8.240 nan 0.000 0.485 141 V N 4.830 124.720 119.914 -0.041 0.000 2.914 141 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 141 V C -1.381 174.567 176.094 -0.243 0.000 1.084 141 V CA -1.091 61.102 62.300 -0.178 0.000 0.963 141 V CB 2.049 33.716 31.823 -0.260 0.000 1.025 141 V HN 0.782 nan 8.190 nan 0.000 0.432 142 M N 5.650 124.973 119.600 -0.462 0.000 2.253 142 M HA 0.573 5.053 4.480 -0.000 0.000 0.314 142 M C -1.143 174.882 176.300 -0.457 0.000 1.019 142 M CA -0.658 54.339 55.300 -0.505 0.000 0.932 142 M CB 1.327 33.472 32.600 -0.758 0.000 1.606 142 M HN 0.308 nan 8.290 nan 0.000 0.430 143 V N 3.756 123.538 119.914 -0.220 0.000 2.444 143 V HA 0.510 4.630 4.120 -0.000 0.000 0.294 143 V C -0.438 175.617 176.094 -0.065 0.000 1.022 143 V CA -0.747 61.487 62.300 -0.110 0.000 0.850 143 V CB 1.861 33.678 31.823 -0.010 0.000 0.992 143 V HN 0.775 nan 8.190 nan 0.000 0.426 144 N N 3.356 122.024 118.700 -0.053 0.000 2.384 144 N HA 0.702 5.442 4.740 -0.000 0.000 0.301 144 N C -0.964 174.477 175.510 -0.114 0.000 1.133 144 N CA -0.522 52.493 53.050 -0.058 0.000 0.853 144 N CB 2.425 40.906 38.487 -0.010 0.000 1.241 144 N HN 0.572 nan 8.380 nan 0.000 0.502 145 I N 1.007 121.472 120.570 -0.174 0.000 2.382 145 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 145 I C -0.019 176.020 176.117 -0.131 0.000 1.007 145 I CA -0.438 60.726 61.300 -0.226 0.000 1.142 145 I CB 1.213 38.888 38.000 -0.542 0.000 1.289 145 I HN 0.218 nan 8.210 nan 0.000 0.453 146 E N 4.810 124.955 120.200 -0.091 0.000 2.242 146 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 146 E C -0.652 175.752 176.600 -0.328 0.000 1.002 146 E CA -0.841 55.462 56.400 -0.162 0.000 0.841 146 E CB 1.375 30.979 29.700 -0.160 0.000 1.109 146 E HN 0.563 nan 8.360 nan 0.000 0.394 147 N N 1.861 120.118 118.700 -0.739 0.000 2.347 147 N HA 0.102 4.842 4.740 -0.000 0.000 0.253 147 N C -2.231 172.759 175.510 -0.868 0.000 1.274 147 N CA -1.500 50.611 53.050 -1.565 0.000 0.941 147 N CB -0.061 37.463 38.487 -1.606 0.000 1.200 147 N HN 0.039 nan 8.380 nan 0.000 0.514 148 P HA -0.139 nan 4.420 nan 0.000 0.220 148 P C 0.431 177.548 177.300 -0.305 0.000 1.144 148 P CA 1.366 64.201 63.100 -0.443 0.000 0.800 148 P CB 0.141 31.634 31.700 -0.346 0.000 0.772 149 E N -1.598 118.409 120.200 -0.321 0.000 2.465 149 E HA 0.155 4.505 4.350 -0.000 0.000 0.191 149 E C 1.128 177.617 176.600 -0.185 0.000 1.053 149 E CA 0.374 56.649 56.400 -0.209 0.000 0.869 149 E CB -0.515 29.078 29.700 -0.178 0.000 0.977 149 E HN 0.132 nan 8.360 nan 0.000 0.483 150 G N 0.782 109.451 108.800 -0.219 0.000 2.217 150 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 150 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 150 G C 0.230 175.039 174.900 -0.151 0.000 0.990 150 G CA 0.085 45.087 45.100 -0.164 0.000 0.627 150 G HN 0.207 nan 8.290 nan 0.000 0.522 151 I N 2.468 122.934 120.570 -0.173 0.000 2.471 151 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 151 I C -2.078 173.966 176.117 -0.121 0.000 1.079 151 I CA -2.851 58.374 61.300 -0.125 0.000 1.398 151 I CB 0.396 38.332 38.000 -0.108 0.000 1.403 151 I HN -0.094 nan 8.210 nan 0.000 0.530 152 P HA 0.115 nan 4.420 nan 0.000 0.281 152 P C 0.707 177.992 177.300 -0.024 0.000 1.252 152 P CA -0.085 62.982 63.100 -0.056 0.000 0.778 152 P CB 0.944 32.624 31.700 -0.033 0.000 0.895 153 V N 0.117 120.019 119.914 -0.020 0.000 3.477 153 V HA 0.423 4.543 4.120 -0.000 0.000 0.297 153 V C 0.221 176.306 176.094 -0.016 0.000 1.433 153 V CA 0.244 62.571 62.300 0.046 0.000 1.052 153 V CB -0.482 31.469 31.823 0.215 0.000 0.895 153 V HN 0.382 nan 8.190 nan 0.000 0.438 154 K N 0.981 121.315 120.400 -0.110 0.000 2.565 154 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 154 K C -1.374 175.184 176.600 -0.070 0.000 0.956 154 K CA -0.258 55.966 56.287 -0.105 0.000 0.809 154 K CB 2.013 34.354 32.500 -0.264 0.000 1.267 154 K HN 0.404 nan 8.250 nan 0.000 0.438 155 Q N 2.723 122.509 119.800 -0.023 0.000 2.323 155 Q HA 0.437 4.777 4.340 -0.000 0.000 0.271 155 Q C -1.417 174.577 176.000 -0.009 0.000 1.048 155 Q CA -1.050 54.743 55.803 -0.016 0.000 0.792 155 Q CB 2.420 31.157 28.738 -0.002 0.000 1.280 155 Q HN 0.553 nan 8.270 nan 0.000 0.441 156 D N 1.078 121.464 120.400 -0.023 0.000 2.780 156 D HA 0.340 4.980 4.640 -0.000 0.000 0.242 156 D C -1.056 175.212 176.300 -0.053 0.000 1.135 156 D CA -0.379 53.605 54.000 -0.025 0.000 0.859 156 D CB 2.327 43.119 40.800 -0.013 0.000 1.530 156 D HN 0.267 nan 8.370 nan 0.000 0.493 157 S N 1.575 117.251 115.700 -0.041 0.000 2.520 157 S HA 0.541 5.011 4.470 -0.000 0.000 0.324 157 S C -0.652 173.923 174.600 -0.041 0.000 1.069 157 S CA -0.611 57.559 58.200 -0.049 0.000 1.121 157 S CB 0.844 64.028 63.200 -0.027 0.000 0.971 157 S HN 0.280 nan 8.310 nan 0.000 0.463 158 L N 2.284 123.474 121.223 -0.054 0.000 2.409 158 L HA 0.689 5.029 4.340 -0.000 0.000 0.262 158 L C -0.153 176.694 176.870 -0.038 0.000 0.992 158 L CA -0.186 54.627 54.840 -0.045 0.000 0.817 158 L CB 2.199 44.225 42.059 -0.056 0.000 1.350 158 L HN 0.587 nan 8.230 nan 0.000 0.411 159 S N 0.288 115.974 115.700 -0.023 0.000 2.654 159 S HA 0.605 5.075 4.470 -0.000 0.000 0.283 159 S C 0.371 174.965 174.600 -0.011 0.000 1.180 159 S CA 0.138 58.334 58.200 -0.007 0.000 1.021 159 S CB 1.036 64.238 63.200 0.003 0.000 1.018 159 S HN 0.750 nan 8.310 nan 0.000 0.532 160 S N 2.378 118.083 115.700 0.007 0.000 2.624 160 S HA 0.316 4.786 4.470 -0.000 0.000 0.246 160 S C -0.035 174.574 174.600 0.015 0.000 1.072 160 S CA -0.569 57.634 58.200 0.005 0.000 1.045 160 S CB -0.058 63.153 63.200 0.019 0.000 0.851 160 S HN 0.722 nan 8.310 nan 0.000 0.480 161 Q N 0.991 120.797 119.800 0.010 0.000 2.222 161 Q HA 0.400 4.740 4.340 -0.000 0.000 0.252 161 Q C -0.003 175.999 176.000 0.003 0.000 0.926 161 Q CA -0.074 55.736 55.803 0.011 0.000 0.899 161 Q CB 0.661 29.407 28.738 0.012 0.000 1.250 161 Q HN 0.556 nan 8.270 nan 0.000 0.441 162 N N 0.988 119.690 118.700 0.004 0.000 2.885 162 N HA -0.296 4.444 4.740 -0.000 0.000 0.215 162 N C 0.477 175.985 175.510 -0.004 0.000 0.893 162 N CA 1.691 54.740 53.050 -0.000 0.000 1.147 162 N CB -0.580 37.906 38.487 -0.003 0.000 0.967 162 N HN 0.537 nan 8.380 nan 0.000 0.601 163 Q N 0.554 120.351 119.800 -0.006 0.000 2.488 163 Q HA 0.219 4.559 4.340 -0.000 0.000 0.211 163 Q C -0.036 175.966 176.000 0.003 0.000 0.967 163 Q CA 0.260 56.056 55.803 -0.010 0.000 0.926 163 Q CB 0.207 28.930 28.738 -0.024 0.000 0.992 163 Q HN 0.362 nan 8.270 nan 0.000 0.506 164 L N 0.125 121.355 121.223 0.012 0.000 3.954 164 L HA -0.340 3.999 4.340 -0.000 0.000 0.462 164 L C 1.015 177.912 176.870 0.046 0.000 1.195 164 L CA 1.821 56.675 54.840 0.024 0.000 0.739 164 L CB -2.247 39.821 42.059 0.015 0.000 1.599 164 L HN 0.547 nan 8.230 nan 0.000 0.838 165 G N -2.009 106.822 108.800 0.052 0.000 2.491 165 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.203 165 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.203 165 G C 0.108 175.047 174.900 0.065 0.000 1.052 165 G CA -0.143 45.014 45.100 0.094 0.000 0.675 165 G HN 0.376 nan 8.290 nan 0.000 0.504 166 V N 1.912 121.833 119.914 0.012 0.000 2.567 166 V HA 0.721 4.841 4.120 -0.000 0.000 0.289 166 V C 0.360 176.359 176.094 -0.159 0.000 1.049 166 V CA -0.284 61.943 62.300 -0.123 0.000 0.969 166 V CB 1.649 33.417 31.823 -0.091 0.000 0.995 166 V HN 0.364 nan 8.190 nan 0.000 0.471 167 L N 5.907 126.976 121.223 -0.257 0.000 2.442 167 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 167 L C -2.625 174.089 176.870 -0.260 0.000 1.000 167 L CA -1.399 53.316 54.840 -0.208 0.000 0.882 167 L CB 2.157 44.111 42.059 -0.174 0.000 1.207 167 L HN 0.489 nan 8.230 nan 0.000 0.443 168 P HA 0.397 nan 4.420 nan 0.000 0.281 168 P C -0.889 176.224 177.300 -0.310 0.000 1.252 168 P CA -0.032 62.916 63.100 -0.255 0.000 0.778 168 P CB 1.036 32.632 31.700 -0.174 0.000 0.895 169 L N 1.549 122.472 121.223 -0.500 0.000 2.409 169 L HA 0.727 5.067 4.340 -0.000 0.000 0.255 169 L C -0.104 176.342 176.870 -0.708 0.000 1.027 169 L CA -0.603 53.843 54.840 -0.658 0.000 0.834 169 L CB 2.426 43.904 42.059 -0.969 0.000 1.426 169 L HN 0.296 nan 8.230 nan 0.000 0.411 170 S N 0.084 115.569 115.700 -0.358 0.000 2.564 170 S HA 0.750 5.220 4.470 -0.000 0.000 0.274 170 S C -2.519 172.232 174.600 0.253 0.000 1.124 170 S CA -0.384 57.780 58.200 -0.060 0.000 0.869 170 S CB 1.698 64.865 63.200 -0.055 0.000 1.105 170 S HN 0.529 nan 8.310 nan 0.000 0.472 171 W N 3.173 124.503 121.300 0.049 0.000 3.326 171 W HA 0.493 5.153 4.660 -0.000 0.000 0.333 171 W C -2.123 174.340 176.519 -0.094 0.000 1.108 171 W CA -0.556 56.796 57.345 0.012 0.000 1.245 171 W CB 1.204 30.696 29.460 0.054 0.000 1.331 171 W HN 0.593 nan 8.180 nan 0.000 0.464 172 D N 5.846 125.906 120.400 -0.567 0.000 2.313 172 D HA 0.295 4.935 4.640 -0.000 0.000 0.239 172 D C 0.250 175.855 176.300 -1.159 0.000 1.142 172 D CA 0.113 53.719 54.000 -0.656 0.000 0.847 172 D CB 1.015 41.607 40.800 -0.348 0.000 1.082 172 D HN 0.263 nan 8.370 nan 0.000 0.480 173 I N 3.923 123.822 120.570 -1.117 0.000 2.517 173 I HA 0.128 4.297 4.170 -0.000 0.000 0.285 173 I C -1.969 173.826 176.117 -0.536 0.000 1.106 173 I CA -1.624 59.032 61.300 -1.072 0.000 1.402 173 I CB 0.156 37.688 38.000 -0.779 0.000 1.399 173 I HN 0.050 nan 8.210 nan 0.000 0.535 174 P HA -0.001 nan 4.420 nan 0.000 0.269 174 P C 0.389 177.617 177.300 -0.120 0.000 1.209 174 P CA -0.237 62.753 63.100 -0.182 0.000 0.776 174 P CB 0.468 32.120 31.700 -0.080 0.000 0.876 175 E N 2.531 122.686 120.200 -0.075 0.000 2.478 175 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 175 E C 0.235 176.831 176.600 -0.006 0.000 1.046 175 E CA 0.582 56.957 56.400 -0.042 0.000 0.870 175 E CB -0.099 29.578 29.700 -0.039 0.000 0.818 175 E HN 0.397 nan 8.360 nan 0.000 0.527 176 L N 1.005 122.232 121.223 0.007 0.000 2.377 176 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 176 L C -1.373 175.544 176.870 0.079 0.000 0.991 176 L CA -0.668 54.197 54.840 0.041 0.000 0.851 176 L CB 1.583 43.663 42.059 0.035 0.000 1.218 176 L HN -0.138 nan 8.230 nan 0.000 0.420 177 V N 4.189 124.175 119.914 0.120 0.000 3.204 177 V HA 0.328 4.448 4.120 -0.000 0.000 0.298 177 V C -0.635 175.640 176.094 0.302 0.000 1.328 177 V CA -0.924 61.512 62.300 0.227 0.000 1.035 177 V CB 2.821 34.761 31.823 0.195 0.000 1.095 177 V HN 0.748 nan 8.190 nan 0.000 0.442 178 N N 2.903 121.870 118.700 0.444 0.000 2.293 178 N HA 0.060 4.800 4.740 -0.000 0.000 0.253 178 N C -0.592 175.182 175.510 0.440 0.000 1.248 178 N CA 0.183 53.435 53.050 0.336 0.000 0.845 178 N CB 0.413 38.970 38.487 0.117 0.000 1.073 178 N HN 0.396 nan 8.380 nan 0.000 0.464 179 M N 1.454 121.199 119.600 0.242 0.000 2.277 179 M HA 0.401 4.881 4.480 -0.000 0.000 0.350 179 M C 0.839 177.234 176.300 0.159 0.000 1.180 179 M CA -0.054 55.382 55.300 0.227 0.000 1.103 179 M CB 0.949 33.629 32.600 0.132 0.000 1.577 179 M HN 0.804 nan 8.290 nan 0.000 0.459 180 G N 1.836 110.749 108.800 0.189 0.000 2.293 180 G HA2 0.014 3.974 3.960 -0.000 0.000 0.282 180 G HA3 0.014 3.974 3.960 -0.000 0.000 0.282 180 G C -1.556 173.413 174.900 0.115 0.000 1.299 180 G CA -0.914 44.235 45.100 0.082 0.000 1.018 180 G HN 0.449 nan 8.290 nan 0.000 0.478 181 Q N 0.434 120.228 119.800 -0.010 0.000 2.566 181 Q HA 0.305 4.645 4.340 -0.000 0.000 0.221 181 Q C -0.701 175.211 176.000 -0.146 0.000 1.195 181 Q CA -0.185 55.600 55.803 -0.031 0.000 0.967 181 Q CB 0.280 28.998 28.738 -0.033 0.000 1.337 181 Q HN 0.398 nan 8.270 nan 0.000 0.553 182 W N 2.311 123.336 121.300 -0.458 0.000 2.210 182 W HA 0.119 4.779 4.660 -0.000 0.000 0.330 182 W C 0.832 176.978 176.519 -0.622 0.000 1.334 182 W CA 0.134 57.099 57.345 -0.633 0.000 1.227 182 W CB 0.563 29.416 29.460 -1.011 0.000 1.178 182 W HN 0.123 nan 8.180 nan 0.000 0.560 183 K N 3.022 123.326 120.400 -0.160 0.000 2.221 183 K HA 0.612 4.932 4.320 -0.000 0.000 0.243 183 K C -0.764 175.846 176.600 0.016 0.000 0.968 183 K CA -1.060 55.196 56.287 -0.052 0.000 0.846 183 K CB 1.769 34.237 32.500 -0.053 0.000 1.141 183 K HN 0.278 nan 8.250 nan 0.000 0.434 184 I N 3.272 123.882 120.570 0.067 0.000 2.464 184 I HA 0.266 4.436 4.170 -0.000 0.000 0.277 184 I C -0.189 175.947 176.117 0.031 0.000 1.040 184 I CA -0.592 60.714 61.300 0.010 0.000 1.153 184 I CB 1.010 38.987 38.000 -0.039 0.000 1.274 184 I HN 0.317 nan 8.210 nan 0.000 0.469 185 R N 4.583 125.097 120.500 0.023 0.000 2.441 185 R HA 0.768 5.108 4.340 -0.000 0.000 0.284 185 R C -0.288 176.056 176.300 0.074 0.000 1.070 185 R CA -0.434 55.706 56.100 0.067 0.000 1.047 185 R CB 1.430 31.774 30.300 0.074 0.000 1.016 185 R HN 0.646 nan 8.270 nan 0.000 0.477 186 A N 2.973 125.866 122.820 0.120 0.000 2.437 186 A HA 0.524 4.844 4.320 -0.000 0.000 0.293 186 A C -1.572 176.100 177.584 0.148 0.000 1.038 186 A CA -0.829 51.234 52.037 0.044 0.000 0.708 186 A CB 1.010 20.015 19.000 0.007 0.000 1.251 186 A HN 0.762 nan 8.150 nan 0.000 0.409 187 Y N -0.405 119.900 120.300 0.008 0.000 2.524 187 Y HA 0.742 5.292 4.550 -0.000 0.000 0.347 187 Y C -1.055 174.836 175.900 -0.015 0.000 1.005 187 Y CA -1.759 56.359 58.100 0.029 0.000 1.025 187 Y CB 0.685 39.158 38.460 0.022 0.000 1.275 187 Y HN 0.556 nan 8.280 nan 0.000 0.460 188 Y N 2.060 122.502 120.300 0.235 0.000 2.526 188 Y HA 0.029 4.579 4.550 -0.000 0.000 0.330 188 Y C 1.707 177.740 175.900 0.222 0.000 1.156 188 Y CA 0.393 58.577 58.100 0.141 0.000 1.419 188 Y CB 1.023 39.554 38.460 0.118 0.000 1.250 188 Y HN 0.898 nan 8.280 nan 0.000 0.540 189 E N 1.984 122.354 120.200 0.283 0.000 2.204 189 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 189 E C 1.293 178.018 176.600 0.208 0.000 0.990 189 E CA 1.000 57.551 56.400 0.251 0.000 0.821 189 E CB 0.139 29.923 29.700 0.140 0.000 0.750 189 E HN 0.696 nan 8.360 nan 0.000 0.477 190 N N -0.117 118.697 118.700 0.190 0.000 2.309 190 N HA -0.050 4.690 4.740 -0.000 0.000 0.182 190 N C -0.128 175.447 175.510 0.108 0.000 1.018 190 N CA 0.755 53.870 53.050 0.109 0.000 0.876 190 N CB 0.345 38.855 38.487 0.040 0.000 0.972 190 N HN -0.103 nan 8.380 nan 0.000 0.434 191 S N 0.704 116.515 115.700 0.184 0.000 2.216 191 S HA 0.228 4.698 4.470 -0.000 0.000 0.156 191 S C -2.075 172.613 174.600 0.147 0.000 1.665 191 S CA -0.923 57.359 58.200 0.136 0.000 1.262 191 S CB 2.140 65.418 63.200 0.130 0.000 1.207 191 S HN 0.138 nan 8.310 nan 0.000 0.427 192 P HA -0.161 nan 4.420 nan 0.000 0.228 192 P C 1.123 178.282 177.300 -0.235 0.000 1.151 192 P CA 0.906 63.879 63.100 -0.213 0.000 0.770 192 P CB 0.200 31.769 31.700 -0.220 0.000 0.786 193 Q N 0.129 119.865 119.800 -0.106 0.000 2.050 193 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 193 Q C 1.360 177.286 176.000 -0.122 0.000 0.980 193 Q CA 1.014 56.754 55.803 -0.106 0.000 0.840 193 Q CB -0.544 28.155 28.738 -0.064 0.000 0.898 193 Q HN 0.415 nan 8.270 nan 0.000 0.424 194 Q N 1.278 121.024 119.800 -0.091 0.000 2.340 194 Q HA 0.406 4.746 4.340 -0.000 0.000 0.259 194 Q C -1.556 174.307 176.000 -0.228 0.000 0.964 194 Q CA -0.307 55.390 55.803 -0.177 0.000 0.900 194 Q CB 1.301 29.962 28.738 -0.129 0.000 1.228 194 Q HN -0.053 nan 8.270 nan 0.000 0.449 195 V N 4.675 124.380 119.914 -0.348 0.000 2.628 195 V HA 0.553 4.673 4.120 -0.000 0.000 0.306 195 V C -0.792 175.029 176.094 -0.454 0.000 1.045 195 V CA -0.700 61.466 62.300 -0.223 0.000 0.905 195 V CB 1.487 33.266 31.823 -0.074 0.000 0.997 195 V HN 0.634 nan 8.190 nan 0.000 0.436 196 F N 1.216 121.193 119.950 0.045 0.000 2.508 196 F HA 0.718 5.245 4.527 -0.000 0.000 0.325 196 F C 0.536 176.352 175.800 0.027 0.000 1.090 196 F CA -0.295 57.715 58.000 0.017 0.000 0.945 196 F CB 2.237 41.222 39.000 -0.026 0.000 1.156 196 F HN 0.393 nan 8.300 nan 0.000 0.463 197 S N 0.611 116.432 115.700 0.203 0.000 2.548 197 S HA 0.799 5.269 4.470 -0.000 0.000 0.286 197 S C -0.875 173.814 174.600 0.148 0.000 1.098 197 S CA -0.583 57.697 58.200 0.134 0.000 0.930 197 S CB 2.050 65.296 63.200 0.076 0.000 1.070 197 S HN 0.586 nan 8.310 nan 0.000 0.480 198 T N 2.631 117.270 114.554 0.142 0.000 2.912 198 T HA 0.484 4.834 4.350 -0.000 0.000 0.299 198 T C -1.208 173.606 174.700 0.191 0.000 1.052 198 T CA -0.908 61.294 62.100 0.169 0.000 0.996 198 T CB 1.544 70.528 68.868 0.193 0.000 1.070 198 T HN 0.673 nan 8.240 nan 0.000 0.465 199 E N 2.610 122.925 120.200 0.192 0.000 2.221 199 E HA 0.704 5.054 4.350 -0.000 0.000 0.268 199 E C -1.320 175.476 176.600 0.327 0.000 0.933 199 E CA -0.859 55.643 56.400 0.169 0.000 0.809 199 E CB 1.959 31.703 29.700 0.074 0.000 1.190 199 E HN 0.618 nan 8.360 nan 0.000 0.406 200 F N -1.459 118.603 119.950 0.187 0.000 2.645 200 F HA 0.617 5.144 4.527 -0.000 0.000 0.310 200 F C -0.682 175.277 175.800 0.264 0.000 1.102 200 F CA -1.180 56.954 58.000 0.224 0.000 0.952 200 F CB 1.570 40.759 39.000 0.315 0.000 1.326 200 F HN 0.448 nan 8.300 nan 0.000 0.456 201 E N 0.377 120.803 120.200 0.376 0.000 2.232 201 E HA 0.608 4.958 4.350 -0.000 0.000 0.264 201 E C -0.212 176.595 176.600 0.344 0.000 0.973 201 E CA -0.798 55.760 56.400 0.265 0.000 0.849 201 E CB 2.382 32.181 29.700 0.166 0.000 1.198 201 E HN 0.722 nan 8.360 nan 0.000 0.407 202 V N -0.085 119.988 119.914 0.265 0.000 3.539 202 V HA 0.196 4.316 4.120 -0.000 0.000 0.262 202 V C 1.580 177.770 176.094 0.159 0.000 1.381 202 V CA 0.649 63.083 62.300 0.223 0.000 1.060 202 V CB 0.123 32.053 31.823 0.179 0.000 0.842 202 V HN 0.970 nan 8.190 nan 0.000 0.445 203 K N 1.590 122.073 120.400 0.139 0.000 10.993 203 K HA -0.411 3.909 4.320 -0.000 0.000 0.522 203 K C 0.377 177.028 176.600 0.084 0.000 0.423 203 K CA 3.171 59.512 56.287 0.090 0.000 1.865 203 K CB -0.848 31.686 32.500 0.057 0.000 0.806 203 K HN 1.000 nan 8.250 nan 0.000 1.239 204 E N -2.304 117.946 120.200 0.082 0.000 5.920 204 E HA -0.130 4.220 4.350 -0.000 0.000 0.547 204 E C -1.572 175.085 176.600 0.095 0.000 1.264 204 E CA 0.085 56.543 56.400 0.096 0.000 2.989 204 E CB -0.949 28.803 29.700 0.086 0.000 0.795 204 E HN 0.322 nan 8.360 nan 0.000 0.269 205 Y N 2.893 123.203 120.300 0.017 0.000 2.802 205 Y HA 0.336 4.886 4.550 -0.000 0.000 0.351 205 Y C -0.567 175.335 175.900 0.002 0.000 1.237 205 Y CA 0.867 58.972 58.100 0.009 0.000 1.599 205 Y CB 0.376 38.840 38.460 0.006 0.000 1.214 205 Y HN 0.335 nan 8.280 nan 0.000 0.520 206 V N 8.354 128.116 119.914 -0.253 0.000 2.524 206 V HA 0.256 4.375 4.120 -0.000 0.000 0.297 206 V C -1.209 174.700 176.094 -0.309 0.000 1.035 206 V CA -0.869 61.328 62.300 -0.172 0.000 0.867 206 V CB 1.620 33.388 31.823 -0.092 0.000 1.004 206 V HN 0.523 nan 8.190 nan 0.000 0.426 207 L N 8.560 129.645 121.223 -0.229 0.000 2.462 207 L HA 0.684 5.024 4.340 -0.000 0.000 0.255 207 L C -1.935 174.880 176.870 -0.092 0.000 1.076 207 L CA -1.231 53.494 54.840 -0.192 0.000 0.920 207 L CB 1.186 43.132 42.059 -0.188 0.000 1.214 207 L HN 0.513 nan 8.230 nan 0.000 0.472 208 P HA 0.272 nan 4.420 nan 0.000 0.272 208 P C 0.505 177.709 177.300 -0.161 0.000 1.223 208 P CA -0.221 62.767 63.100 -0.186 0.000 0.784 208 P CB 1.016 32.549 31.700 -0.279 0.000 0.923 209 S N 0.652 116.235 115.700 -0.195 0.000 2.348 209 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 209 S C 0.937 175.523 174.600 -0.024 0.000 1.033 209 S CA 1.132 59.322 58.200 -0.016 0.000 1.010 209 S CB -0.681 62.587 63.200 0.114 0.000 0.891 209 S HN 0.695 nan 8.310 nan 0.000 0.442 210 F N 0.886 120.682 119.950 -0.257 0.000 2.691 210 F HA 0.742 5.269 4.527 -0.000 0.000 0.334 210 F C -0.560 175.116 175.800 -0.206 0.000 1.107 210 F CA -1.576 56.214 58.000 -0.351 0.000 0.991 210 F CB 0.945 39.498 39.000 -0.744 0.000 1.400 210 F HN -0.016 nan 8.300 nan 0.000 0.503 211 E N 0.741 120.965 120.200 0.041 0.000 2.183 211 E HA 0.648 4.998 4.350 -0.000 0.000 0.271 211 E C -1.816 174.825 176.600 0.067 0.000 0.919 211 E CA -0.986 55.406 56.400 -0.013 0.000 0.781 211 E CB 2.349 32.045 29.700 -0.008 0.000 1.140 211 E HN 0.525 nan 8.360 nan 0.000 0.402 212 V N 4.292 124.213 119.914 0.010 0.000 2.444 212 V HA 0.331 4.451 4.120 -0.000 0.000 0.294 212 V C -0.100 175.992 176.094 -0.002 0.000 1.022 212 V CA -0.801 61.517 62.300 0.031 0.000 0.850 212 V CB 1.009 32.855 31.823 0.038 0.000 0.992 212 V HN 0.690 nan 8.190 nan 0.000 0.426 213 I N 3.426 123.997 120.570 0.001 0.000 2.355 213 I HA 0.724 4.894 4.170 -0.000 0.000 0.288 213 I C -0.411 175.703 176.117 -0.006 0.000 0.999 213 I CA -0.740 60.557 61.300 -0.005 0.000 1.163 213 I CB 1.761 39.761 38.000 -0.001 0.000 1.316 213 I HN 0.370 nan 8.210 nan 0.000 0.454 214 V N 6.513 126.421 119.914 -0.010 0.000 2.333 214 V HA 0.617 4.737 4.120 -0.000 0.000 0.274 214 V C -0.710 175.384 176.094 -0.001 0.000 1.028 214 V CA 0.267 62.559 62.300 -0.013 0.000 0.851 214 V CB 1.055 32.858 31.823 -0.033 0.000 1.000 214 V HN 0.975 nan 8.190 nan 0.000 0.456 215 E N 7.973 128.178 120.200 0.007 0.000 2.290 215 E HA 0.622 4.972 4.350 -0.000 0.000 0.274 215 E C -3.037 173.574 176.600 0.019 0.000 0.889 215 E CA -1.982 54.427 56.400 0.015 0.000 0.760 215 E CB 1.892 31.598 29.700 0.010 0.000 1.206 215 E HN 0.454 nan 8.360 nan 0.000 0.419 216 P HA 0.002 nan 4.420 nan 0.000 0.274 216 P C 0.539 177.831 177.300 -0.014 0.000 1.246 216 P CA -0.365 62.747 63.100 0.020 0.000 0.795 216 P CB 0.923 32.639 31.700 0.025 0.000 1.006 217 T N -2.845 111.693 114.554 -0.027 0.000 2.995 217 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 217 T C 0.616 175.253 174.700 -0.105 0.000 1.091 217 T CA 0.831 62.902 62.100 -0.049 0.000 1.128 217 T CB -0.132 68.714 68.868 -0.037 0.000 0.891 217 T HN 0.344 nan 8.240 nan 0.000 0.492 218 E N 0.638 120.743 120.200 -0.157 0.000 2.227 218 E HA 0.337 4.687 4.350 -0.000 0.000 0.268 218 E C 0.189 176.603 176.600 -0.310 0.000 0.907 218 E CA -0.749 55.444 56.400 -0.346 0.000 0.786 218 E CB 1.772 31.170 29.700 -0.504 0.000 1.191 218 E HN 0.008 nan 8.360 nan 0.000 0.411 219 K N 1.358 121.534 120.400 -0.373 0.000 2.504 219 K HA 0.058 4.378 4.320 -0.000 0.000 0.195 219 K C 0.388 177.028 176.600 0.067 0.000 1.036 219 K CA 0.611 56.853 56.287 -0.076 0.000 0.984 219 K CB -0.173 32.382 32.500 0.092 0.000 0.788 219 K HN 0.324 nan 8.250 nan 0.000 0.488 220 F N -2.918 117.063 119.950 0.052 0.000 2.745 220 F HA 0.420 4.947 4.527 -0.000 0.000 0.316 220 F C -1.133 174.754 175.800 0.146 0.000 1.155 220 F CA -2.003 56.042 58.000 0.076 0.000 0.937 220 F CB 0.629 39.646 39.000 0.029 0.000 1.361 220 F HN -0.212 nan 8.300 nan 0.000 0.472 221 Y N 1.657 122.125 120.300 0.280 0.000 2.326 221 Y HA 0.484 5.034 4.550 -0.000 0.000 0.331 221 Y C -1.466 174.593 175.900 0.265 0.000 0.962 221 Y CA -1.788 56.423 58.100 0.185 0.000 1.167 221 Y CB 0.922 39.410 38.460 0.048 0.000 1.148 221 Y HN 0.696 nan 8.280 nan 0.000 0.463 222 Y N 8.001 128.068 120.300 -0.389 0.000 2.436 222 Y HA 0.186 4.736 4.550 -0.000 0.000 0.336 222 Y C 1.189 176.582 175.900 -0.845 0.000 1.049 222 Y CA -0.617 57.241 58.100 -0.403 0.000 1.294 222 Y CB 0.566 38.933 38.460 -0.156 0.000 1.179 222 Y HN 0.732 nan 8.280 nan 0.000 0.520 223 I N 2.909 122.902 120.570 -0.961 0.000 2.208 223 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 223 I C 0.944 176.592 176.117 -0.781 0.000 1.097 223 I CA 1.550 62.362 61.300 -0.813 0.000 1.363 223 I CB -0.710 36.831 38.000 -0.764 0.000 1.051 223 I HN 0.528 nan 8.210 nan 0.000 0.413 224 Y N 1.120 120.949 120.300 -0.785 0.000 2.519 224 Y HA 0.065 4.615 4.550 -0.000 0.000 0.287 224 Y C 1.135 176.924 175.900 -0.185 0.000 1.128 224 Y CA -0.216 57.638 58.100 -0.410 0.000 1.282 224 Y CB -0.881 37.361 38.460 -0.364 0.000 1.027 224 Y HN 0.257 nan 8.280 nan 0.000 0.551 225 N N 1.744 120.412 118.700 -0.053 0.000 2.414 225 N HA -0.114 4.626 4.740 -0.000 0.000 0.268 225 N C 0.769 176.328 175.510 0.082 0.000 1.286 225 N CA 0.229 53.346 53.050 0.112 0.000 0.896 225 N CB 0.577 39.141 38.487 0.128 0.000 1.093 225 N HN 0.146 nan 8.380 nan 0.000 0.480 226 E N 2.657 122.917 120.200 0.100 0.000 2.502 226 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 226 E C 1.084 177.735 176.600 0.084 0.000 1.062 226 E CA 0.509 56.962 56.400 0.087 0.000 0.867 226 E CB 0.158 29.897 29.700 0.065 0.000 0.888 226 E HN 0.566 nan 8.360 nan 0.000 0.510 227 K N -0.055 120.403 120.400 0.097 0.000 2.211 227 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 227 K C 0.589 177.240 176.600 0.084 0.000 1.050 227 K CA 0.899 57.232 56.287 0.077 0.000 0.945 227 K CB -0.122 32.420 32.500 0.069 0.000 0.732 227 K HN 0.252 nan 8.250 nan 0.000 0.451 228 G N -0.402 108.507 108.800 0.181 0.000 2.757 228 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 228 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 228 G C -1.473 173.488 174.900 0.101 0.000 1.344 228 G CA -0.313 44.854 45.100 0.112 0.000 0.855 228 G HN 0.247 nan 8.290 nan 0.000 0.537 229 L N 1.202 122.296 121.223 -0.214 0.000 2.270 229 L HA 0.583 4.923 4.340 -0.000 0.000 0.286 229 L C 0.636 177.426 176.870 -0.134 0.000 1.059 229 L CA -0.387 54.351 54.840 -0.170 0.000 0.839 229 L CB 0.194 42.027 42.059 -0.376 0.000 1.221 229 L HN 0.566 nan 8.230 nan 0.000 0.431 230 E N 3.514 123.695 120.200 -0.031 0.000 2.331 230 E HA 0.464 4.814 4.350 -0.000 0.000 0.272 230 E C -0.950 175.676 176.600 0.043 0.000 1.036 230 E CA -0.567 55.833 56.400 0.000 0.000 0.864 230 E CB 1.854 31.555 29.700 0.002 0.000 1.035 230 E HN 0.367 nan 8.360 nan 0.000 0.408 231 V N 2.390 122.356 119.914 0.086 0.000 2.735 231 V HA 0.267 4.387 4.120 -0.000 0.000 0.310 231 V C -0.366 175.759 176.094 0.051 0.000 1.061 231 V CA -0.831 61.525 62.300 0.093 0.000 0.913 231 V CB 2.391 34.316 31.823 0.172 0.000 1.005 231 V HN 0.704 nan 8.190 nan 0.000 0.428 232 T N 5.780 120.350 114.554 0.027 0.000 2.753 232 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 232 T C -0.160 174.541 174.700 0.002 0.000 0.981 232 T CA -0.253 61.853 62.100 0.011 0.000 0.956 232 T CB 0.335 69.206 68.868 0.004 0.000 0.936 232 T HN 0.289 nan 8.240 nan 0.000 0.463 233 I N 4.154 124.721 120.570 -0.006 0.000 2.352 233 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 233 I C 0.612 176.718 176.117 -0.018 0.000 1.036 233 I CA -0.094 61.196 61.300 -0.016 0.000 1.336 233 I CB 0.384 38.367 38.000 -0.029 0.000 1.407 233 I HN 0.536 nan 8.210 nan 0.000 0.497 234 T N 6.078 120.624 114.554 -0.013 0.000 2.812 234 T HA 0.734 5.084 4.350 -0.000 0.000 0.282 234 T C -0.177 174.518 174.700 -0.009 0.000 0.990 234 T CA -0.567 61.525 62.100 -0.014 0.000 0.960 234 T CB 1.886 70.750 68.868 -0.007 0.000 0.948 234 T HN 0.723 nan 8.240 nan 0.000 0.438 235 A N 4.010 126.814 122.820 -0.027 0.000 2.422 235 A HA 0.950 5.270 4.320 -0.000 0.000 0.302 235 A C -0.505 177.034 177.584 -0.075 0.000 1.041 235 A CA -1.112 50.911 52.037 -0.024 0.000 0.708 235 A CB 1.393 20.362 19.000 -0.051 0.000 1.257 235 A HN 0.942 nan 8.150 nan 0.000 0.414 236 R N 0.814 121.282 120.500 -0.052 0.000 2.664 236 R HA 0.615 4.955 4.340 -0.000 0.000 0.266 236 R C -1.592 174.676 176.300 -0.055 0.000 1.046 236 R CA -0.818 55.242 56.100 -0.067 0.000 0.885 236 R CB 0.536 30.824 30.300 -0.020 0.000 1.254 236 R HN 0.360 nan 8.270 nan 0.000 0.465 237 F N 1.085 120.935 119.950 -0.167 0.000 2.480 237 F HA 0.147 4.674 4.527 -0.000 0.000 0.319 237 F C 1.779 177.468 175.800 -0.186 0.000 1.230 237 F CA -0.228 57.652 58.000 -0.200 0.000 1.285 237 F CB 0.540 39.181 39.000 -0.598 0.000 1.208 237 F HN 0.394 nan 8.300 nan 0.000 0.579 238 L N 1.101 122.403 121.223 0.132 0.000 2.551 238 L HA -0.167 4.173 4.340 -0.000 0.000 0.228 238 L C 0.648 177.622 176.870 0.173 0.000 1.153 238 L CA 0.694 55.615 54.840 0.135 0.000 0.851 238 L CB -0.707 41.457 42.059 0.174 0.000 0.959 238 L HN 0.689 nan 8.230 nan 0.000 0.451 239 Y N -2.828 117.571 120.300 0.164 0.000 2.660 239 Y HA 0.601 5.151 4.550 -0.000 0.000 0.254 239 Y C 1.065 177.018 175.900 0.088 0.000 1.176 239 Y CA -0.578 57.581 58.100 0.099 0.000 1.195 239 Y CB -0.261 38.239 38.460 0.067 0.000 1.190 239 Y HN -0.037 nan 8.280 nan 0.000 0.535 240 G N 1.277 110.021 108.800 -0.092 0.000 2.212 240 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.255 240 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.255 240 G C -0.259 174.592 174.900 -0.081 0.000 1.062 240 G CA -0.232 44.846 45.100 -0.038 0.000 0.815 240 G HN 0.254 nan 8.290 nan 0.000 0.497 241 K N 0.629 120.874 120.400 -0.259 0.000 2.211 241 K HA 0.312 4.632 4.320 -0.000 0.000 0.275 241 K C 0.656 177.265 176.600 0.015 0.000 1.024 241 K CA -0.624 55.576 56.287 -0.145 0.000 0.887 241 K CB 0.701 32.980 32.500 -0.369 0.000 1.084 241 K HN 0.158 nan 8.250 nan 0.000 0.463 242 K N 2.151 122.559 120.400 0.013 0.000 2.412 242 K HA 0.070 4.390 4.320 -0.000 0.000 0.281 242 K C 0.060 176.682 176.600 0.036 0.000 1.027 242 K CA -0.219 56.076 56.287 0.014 0.000 0.989 242 K CB 1.084 33.585 32.500 0.000 0.000 0.935 242 K HN 0.278 nan 8.250 nan 0.000 0.475 243 V N 3.186 123.082 119.914 -0.030 0.000 2.607 243 V HA 0.087 4.207 4.120 -0.000 0.000 0.289 243 V C -0.025 176.012 176.094 -0.095 0.000 1.053 243 V CA -0.314 61.928 62.300 -0.097 0.000 0.996 243 V CB 1.170 32.719 31.823 -0.455 0.000 0.995 243 V HN 0.616 nan 8.190 nan 0.000 0.476 244 E N 4.347 124.516 120.200 -0.052 0.000 2.145 244 E HA 0.663 5.012 4.350 -0.000 0.000 0.270 244 E C 0.025 176.555 176.600 -0.117 0.000 0.906 244 E CA 0.015 56.410 56.400 -0.007 0.000 0.761 244 E CB 1.854 31.622 29.700 0.114 0.000 1.116 244 E HN 0.979 nan 8.360 nan 0.000 0.408 245 G N 1.618 110.211 108.800 -0.345 0.000 2.510 245 G HA2 0.368 4.328 3.960 -0.000 0.000 0.277 245 G HA3 0.368 4.328 3.960 -0.000 0.000 0.277 245 G C -1.113 173.342 174.900 -0.742 0.000 1.223 245 G CA -0.464 44.146 45.100 -0.816 0.000 0.887 245 G HN 0.331 nan 8.290 nan 0.000 0.485 246 T N -0.340 113.910 114.554 -0.506 0.000 2.893 246 T HA 0.791 5.141 4.350 -0.000 0.000 0.291 246 T C -0.518 174.017 174.700 -0.275 0.000 1.028 246 T CA 0.055 61.944 62.100 -0.352 0.000 0.995 246 T CB 1.866 70.550 68.868 -0.306 0.000 1.051 246 T HN 1.657 nan 8.240 nan 0.000 0.470 247 A N 1.833 124.449 122.820 -0.339 0.000 2.359 247 A HA 0.786 5.106 4.320 -0.000 0.000 0.303 247 A C -1.341 176.026 177.584 -0.362 0.000 1.066 247 A CA -0.766 51.134 52.037 -0.227 0.000 0.730 247 A CB 0.656 19.580 19.000 -0.127 0.000 1.211 247 A HN 0.722 nan 8.150 nan 0.000 0.439 248 F N 2.539 122.470 119.950 -0.033 0.000 2.361 248 F HA 0.476 5.003 4.527 -0.000 0.000 0.364 248 F C 0.585 176.351 175.800 -0.057 0.000 1.120 248 F CA -0.490 57.491 58.000 -0.032 0.000 1.102 248 F CB 1.843 40.829 39.000 -0.023 0.000 1.183 248 F HN 0.479 nan 8.300 nan 0.000 0.476 249 V N 2.678 122.625 119.914 0.055 0.000 2.713 249 V HA 0.718 4.838 4.120 -0.000 0.000 0.307 249 V C -0.564 175.485 176.094 -0.075 0.000 1.052 249 V CA -0.951 61.305 62.300 -0.073 0.000 0.967 249 V CB 2.160 33.885 31.823 -0.164 0.000 1.019 249 V HN 0.747 nan 8.190 nan 0.000 0.459 250 I N 2.370 122.815 120.570 -0.209 0.000 2.680 250 I HA 0.591 4.761 4.170 -0.000 0.000 0.291 250 I C -1.532 174.417 176.117 -0.280 0.000 1.244 250 I CA -0.457 60.767 61.300 -0.128 0.000 1.042 250 I CB 1.908 39.902 38.000 -0.010 0.000 1.277 250 I HN 0.677 nan 8.210 nan 0.000 0.423 251 F N 4.834 124.725 119.950 -0.098 0.000 2.432 251 F HA 0.862 5.389 4.527 -0.000 0.000 0.329 251 F C 0.846 176.418 175.800 -0.380 0.000 1.076 251 F CA -0.277 57.585 58.000 -0.230 0.000 1.018 251 F CB 2.037 40.912 39.000 -0.208 0.000 1.201 251 F HN 0.412 nan 8.300 nan 0.000 0.489 252 G N 1.326 109.749 108.800 -0.628 0.000 2.698 252 G HA2 0.636 4.596 3.960 -0.000 0.000 0.293 252 G HA3 0.636 4.596 3.960 -0.000 0.000 0.293 252 G C -1.889 172.484 174.900 -0.878 0.000 1.437 252 G CA -0.791 43.797 45.100 -0.854 0.000 0.852 252 G HN 0.527 nan 8.290 nan 0.000 0.499 253 I N 0.661 121.059 120.570 -0.286 0.000 2.354 253 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 253 I C 0.139 176.370 176.117 0.189 0.000 0.989 253 I CA -0.570 60.702 61.300 -0.048 0.000 1.188 253 I CB 2.007 39.991 38.000 -0.027 0.000 1.342 253 I HN 0.383 nan 8.210 nan 0.000 0.457 254 Q N 4.636 124.594 119.800 0.263 0.000 2.296 254 Q HA 0.165 4.505 4.340 -0.000 0.000 0.257 254 Q C -1.013 175.061 176.000 0.123 0.000 0.942 254 Q CA -0.475 55.470 55.803 0.238 0.000 0.939 254 Q CB 1.184 30.062 28.738 0.234 0.000 1.198 254 Q HN 0.504 nan 8.270 nan 0.000 0.429 255 D N 3.433 123.887 120.400 0.091 0.000 2.518 255 D HA 0.323 4.963 4.640 -0.000 0.000 0.230 255 D C 0.797 177.125 176.300 0.046 0.000 1.138 255 D CA 0.976 55.011 54.000 0.059 0.000 0.964 255 D CB 0.030 40.859 40.800 0.048 0.000 1.011 255 D HN 0.822 nan 8.370 nan 0.000 0.517 256 G N 4.084 112.912 108.800 0.047 0.000 5.431 256 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.322 256 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.322 256 G C 0.637 175.555 174.900 0.029 0.000 1.370 256 G CA 0.860 45.982 45.100 0.037 0.000 0.963 256 G HN 0.558 nan 8.290 nan 0.000 0.797 257 E N -0.402 119.811 120.200 0.021 0.000 2.945 257 E HA 0.481 4.831 4.350 -0.000 0.000 0.196 257 E C 0.277 176.879 176.600 0.003 0.000 0.965 257 E CA -0.069 56.336 56.400 0.007 0.000 1.270 257 E CB 0.409 30.110 29.700 0.001 0.000 1.045 257 E HN 0.463 nan 8.360 nan 0.000 0.474 258 Q N 1.484 121.296 119.800 0.019 0.000 2.331 258 Q HA 0.451 4.791 4.340 -0.000 0.000 0.267 258 Q C -0.961 175.070 176.000 0.051 0.000 1.006 258 Q CA -0.555 55.262 55.803 0.023 0.000 0.818 258 Q CB 1.401 30.153 28.738 0.024 0.000 1.276 258 Q HN 0.215 nan 8.270 nan 0.000 0.450 259 R N 3.384 123.915 120.500 0.051 0.000 2.338 259 R HA 0.533 4.873 4.340 -0.000 0.000 0.317 259 R C -0.337 176.051 176.300 0.147 0.000 0.968 259 R CA -0.749 55.427 56.100 0.127 0.000 0.849 259 R CB 1.225 31.535 30.300 0.017 0.000 1.128 259 R HN 0.462 nan 8.270 nan 0.000 0.448 260 I N 2.157 122.838 120.570 0.185 0.000 2.359 260 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 260 I C 0.484 176.671 176.117 0.116 0.000 1.018 260 I CA -0.326 61.043 61.300 0.114 0.000 1.173 260 I CB 1.238 39.276 38.000 0.062 0.000 1.326 260 I HN 0.500 nan 8.210 nan 0.000 0.462 261 S N 7.420 123.192 115.700 0.120 0.000 2.510 261 S HA 0.390 4.860 4.470 -0.000 0.000 0.279 261 S C -0.026 174.593 174.600 0.032 0.000 1.284 261 S CA -0.476 57.780 58.200 0.094 0.000 1.059 261 S CB 0.086 63.346 63.200 0.101 0.000 0.901 261 S HN 0.421 nan 8.310 nan 0.000 0.491 262 L N 8.477 129.699 121.223 -0.001 0.000 2.312 262 L HA 0.329 4.669 4.340 -0.000 0.000 0.287 262 L C -1.255 175.627 176.870 0.019 0.000 1.091 262 L CA -1.625 53.214 54.840 -0.002 0.000 0.846 262 L CB 0.693 42.738 42.059 -0.024 0.000 1.219 262 L HN 0.555 nan 8.230 nan 0.000 0.439 263 P HA -0.136 nan 4.420 nan 0.000 0.221 263 P C 0.903 178.220 177.300 0.029 0.000 1.150 263 P CA 0.929 64.043 63.100 0.024 0.000 0.800 263 P CB 0.477 32.187 31.700 0.017 0.000 0.787 264 E N 0.215 120.428 120.200 0.022 0.000 2.479 264 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 264 E C 1.407 178.026 176.600 0.031 0.000 1.049 264 E CA 0.302 56.715 56.400 0.021 0.000 0.870 264 E CB 0.098 29.802 29.700 0.006 0.000 0.944 264 E HN 0.259 nan 8.360 nan 0.000 0.492 265 S N -0.377 115.355 115.700 0.053 0.000 2.575 265 S HA 0.100 4.570 4.470 -0.000 0.000 0.215 265 S C 0.952 175.646 174.600 0.157 0.000 0.966 265 S CA -0.396 57.866 58.200 0.104 0.000 0.911 265 S CB -0.134 63.160 63.200 0.156 0.000 0.780 265 S HN 0.179 nan 8.310 nan 0.000 0.514 266 L N 2.596 123.882 121.223 0.105 0.000 2.500 266 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 266 L C -0.510 176.428 176.870 0.114 0.000 1.149 266 L CA 0.186 55.089 54.840 0.106 0.000 0.897 266 L CB 0.230 42.341 42.059 0.087 0.000 1.178 266 L HN 0.200 nan 8.230 nan 0.000 0.473 267 K N 5.552 126.023 120.400 0.117 0.000 2.371 267 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 267 K C -1.025 175.600 176.600 0.041 0.000 0.934 267 K CA -0.904 55.433 56.287 0.084 0.000 0.798 267 K CB 2.495 35.041 32.500 0.078 0.000 1.204 267 K HN 0.489 nan 8.250 nan 0.000 0.427 268 R N 4.054 124.542 120.500 -0.020 0.000 2.288 268 R HA 0.342 4.682 4.340 -0.000 0.000 0.326 268 R C -0.763 175.417 176.300 -0.201 0.000 0.959 268 R CA -0.446 55.517 56.100 -0.228 0.000 0.834 268 R CB 0.193 30.361 30.300 -0.221 0.000 1.157 268 R HN 0.678 nan 8.270 nan 0.000 0.470 269 I N 1.847 122.278 120.570 -0.232 0.000 2.603 269 I HA 0.664 4.834 4.170 -0.000 0.000 0.300 269 I C -2.525 173.487 176.117 -0.175 0.000 1.017 269 I CA -2.994 58.216 61.300 -0.149 0.000 1.098 269 I CB 2.181 40.126 38.000 -0.091 0.000 1.279 269 I HN 0.412 nan 8.210 nan 0.000 0.437 270 P HA 0.279 nan 4.420 nan 0.000 0.279 270 P C -0.850 176.402 177.300 -0.081 0.000 1.239 270 P CA -0.133 62.918 63.100 -0.081 0.000 0.789 270 P CB 1.205 32.896 31.700 -0.015 0.000 0.933 271 I N 3.368 123.874 120.570 -0.108 0.000 2.304 271 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 271 I C 0.758 176.847 176.117 -0.047 0.000 1.018 271 I CA -0.174 61.068 61.300 -0.096 0.000 1.260 271 I CB 0.276 38.186 38.000 -0.151 0.000 1.390 271 I HN 0.254 nan 8.210 nan 0.000 0.475 272 E N 5.027 125.210 120.200 -0.028 0.000 2.176 272 E HA 0.193 4.543 4.350 -0.000 0.000 0.267 272 E C -0.706 175.885 176.600 -0.014 0.000 0.893 272 E CA -0.600 55.796 56.400 -0.007 0.000 0.761 272 E CB 1.499 31.199 29.700 -0.000 0.000 1.133 272 E HN 0.382 nan 8.360 nan 0.000 0.409 273 D N 2.039 122.434 120.400 -0.008 0.000 2.735 273 D HA -0.192 4.448 4.640 -0.000 0.000 0.235 273 D C 0.942 177.230 176.300 -0.021 0.000 1.175 273 D CA 1.678 55.672 54.000 -0.010 0.000 0.683 273 D CB -1.065 39.732 40.800 -0.004 0.000 1.008 273 D HN 0.948 nan 8.370 nan 0.000 0.416 274 G N -0.890 107.886 108.800 -0.040 0.000 2.175 274 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.265 274 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.265 274 G C 0.351 175.225 174.900 -0.044 0.000 0.979 274 G CA 0.743 45.810 45.100 -0.054 0.000 0.663 274 G HN 0.897 nan 8.290 nan 0.000 0.533 275 S N -0.640 115.038 115.700 -0.038 0.000 2.532 275 S HA 0.798 5.268 4.470 -0.000 0.000 0.299 275 S C 0.170 174.750 174.600 -0.032 0.000 1.105 275 S CA 0.560 58.743 58.200 -0.028 0.000 1.018 275 S CB 1.594 64.783 63.200 -0.017 0.000 1.021 275 S HN 1.573 nan 8.310 nan 0.000 0.483 276 G N 2.017 110.799 108.800 -0.030 0.000 2.672 276 G HA2 0.653 4.613 3.960 -0.000 0.000 0.292 276 G HA3 0.653 4.613 3.960 -0.000 0.000 0.292 276 G C -1.885 173.004 174.900 -0.018 0.000 1.375 276 G CA -0.548 44.533 45.100 -0.032 0.000 0.890 276 G HN 0.578 nan 8.290 nan 0.000 0.476 277 E N -0.840 119.351 120.200 -0.014 0.000 2.308 277 E HA 0.665 5.015 4.350 -0.000 0.000 0.275 277 E C -1.476 175.132 176.600 0.014 0.000 0.890 277 E CA -0.558 55.843 56.400 0.002 0.000 0.754 277 E CB 2.665 32.365 29.700 0.000 0.000 1.207 277 E HN 0.601 nan 8.360 nan 0.000 0.426 278 V N 3.734 123.674 119.914 0.043 0.000 3.178 278 V HA 0.699 4.819 4.120 -0.000 0.000 0.302 278 V C -1.714 174.440 176.094 0.099 0.000 1.262 278 V CA -0.579 61.769 62.300 0.079 0.000 1.030 278 V CB 2.430 34.323 31.823 0.117 0.000 1.074 278 V HN 0.527 nan 8.190 nan 0.000 0.438 279 V N 4.709 124.663 119.914 0.068 0.000 2.623 279 V HA 0.486 4.606 4.120 -0.000 0.000 0.304 279 V C -0.739 175.233 176.094 -0.203 0.000 1.054 279 V CA -0.605 61.666 62.300 -0.049 0.000 0.882 279 V CB 1.645 33.436 31.823 -0.053 0.000 1.002 279 V HN 0.773 nan 8.190 nan 0.000 0.424 280 L N 5.512 126.375 121.223 -0.600 0.000 2.260 280 L HA 0.616 4.955 4.340 -0.000 0.000 0.289 280 L C 0.673 177.256 176.870 -0.478 0.000 1.057 280 L CA 0.533 54.882 54.840 -0.819 0.000 0.811 280 L CB 1.248 42.286 42.059 -1.702 0.000 1.184 280 L HN 0.846 nan 8.230 nan 0.000 0.429 281 S N 4.124 119.648 115.700 -0.294 0.000 2.601 281 S HA 0.311 4.781 4.470 -0.000 0.000 0.271 281 S C 1.127 175.614 174.600 -0.188 0.000 1.305 281 S CA -0.412 57.679 58.200 -0.182 0.000 1.022 281 S CB 1.085 64.223 63.200 -0.103 0.000 0.940 281 S HN 0.835 nan 8.310 nan 0.000 0.525 282 R N 0.819 121.262 120.500 -0.095 0.000 2.120 282 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 282 R C 2.085 178.351 176.300 -0.057 0.000 1.123 282 R CA 1.568 57.639 56.100 -0.049 0.000 0.975 282 R CB -0.365 29.972 30.300 0.061 0.000 0.866 282 R HN 0.769 nan 8.270 nan 0.000 0.446 283 K N 0.191 120.563 120.400 -0.047 0.000 2.001 283 K HA -0.137 4.183 4.320 -0.000 0.000 0.214 283 K C 1.666 178.234 176.600 -0.053 0.000 1.050 283 K CA 2.207 58.470 56.287 -0.039 0.000 0.934 283 K CB -0.477 32.005 32.500 -0.030 0.000 0.718 283 K HN 0.084 nan 8.250 nan 0.000 0.443 284 V N 0.945 120.815 119.914 -0.074 0.000 2.871 284 V HA -0.104 4.016 4.120 -0.000 0.000 0.256 284 V C 2.182 178.221 176.094 -0.093 0.000 1.082 284 V CA 1.241 63.496 62.300 -0.074 0.000 1.105 284 V CB -0.438 31.339 31.823 -0.078 0.000 0.713 284 V HN 0.316 nan 8.190 nan 0.000 0.473 285 L N 0.028 121.172 121.223 -0.130 0.000 2.027 285 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 285 L C 2.049 178.863 176.870 -0.093 0.000 1.074 285 L CA 1.970 56.721 54.840 -0.147 0.000 0.745 285 L CB -0.414 41.516 42.059 -0.216 0.000 0.898 285 L HN 0.222 nan 8.230 nan 0.000 0.433 286 L N -0.747 120.434 121.223 -0.070 0.000 2.478 286 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 286 L C 1.038 177.886 176.870 -0.037 0.000 1.140 286 L CA 0.221 55.032 54.840 -0.048 0.000 0.842 286 L CB -0.478 41.558 42.059 -0.039 0.000 0.953 286 L HN 0.192 nan 8.230 nan 0.000 0.452 287 D N -0.019 120.358 120.400 -0.038 0.000 2.328 287 D HA 0.022 4.662 4.640 -0.000 0.000 0.226 287 D C 1.764 178.049 176.300 -0.025 0.000 1.066 287 D CA 0.405 54.389 54.000 -0.027 0.000 0.861 287 D CB 0.346 41.132 40.800 -0.024 0.000 0.912 287 D HN 0.195 nan 8.370 nan 0.000 0.521 288 G N 0.184 108.964 108.800 -0.032 0.000 3.337 288 G HA2 0.326 4.286 3.960 -0.000 0.000 0.246 288 G HA3 0.326 4.286 3.960 -0.000 0.000 0.246 288 G C 0.495 175.384 174.900 -0.019 0.000 1.131 288 G CA -0.058 45.026 45.100 -0.026 0.000 0.773 288 G HN 0.180 nan 8.290 nan 0.000 0.544 293 R N 0.068 120.560 120.500 -0.014 0.000 1.050 293 R HA -0.123 4.217 4.340 -0.000 0.000 0.427 293 R C 0.191 176.470 176.300 -0.034 0.000 1.355 293 R CA 0.645 56.737 56.100 -0.013 0.000 1.110 293 R CB -0.345 29.952 30.300 -0.004 0.000 3.300 293 R HN 0.982 nan 8.270 nan 0.000 0.509 294 A N 3.829 126.618 122.820 -0.052 0.000 1.970 294 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 294 A C 1.411 178.911 177.584 -0.141 0.000 1.170 294 A CA 1.458 53.415 52.037 -0.133 0.000 0.645 294 A CB -0.092 18.763 19.000 -0.242 0.000 0.816 294 A HN 0.754 nan 8.150 nan 0.000 0.447 295 E N 0.749 120.906 120.200 -0.072 0.000 2.274 295 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 295 E C 0.896 177.475 176.600 -0.034 0.000 0.996 295 E CA 0.827 57.199 56.400 -0.047 0.000 0.840 295 E CB -0.111 29.596 29.700 0.010 0.000 0.772 295 E HN 0.499 nan 8.360 nan 0.000 0.491 296 D N -0.203 120.180 120.400 -0.029 0.000 2.348 296 D HA -0.059 4.581 4.640 -0.000 0.000 0.216 296 D C 1.297 177.587 176.300 -0.017 0.000 0.970 296 D CA 0.622 54.613 54.000 -0.016 0.000 0.889 296 D CB 0.261 41.055 40.800 -0.011 0.000 0.912 296 D HN 0.268 nan 8.370 nan 0.000 0.524 297 L N 0.136 121.339 121.223 -0.033 0.000 2.513 297 L HA 0.068 4.408 4.340 -0.000 0.000 0.222 297 L C 0.580 177.441 176.870 -0.014 0.000 1.096 297 L CA 0.013 54.839 54.840 -0.023 0.000 0.857 297 L CB 0.389 42.428 42.059 -0.034 0.000 1.026 297 L HN -0.246 nan 8.230 nan 0.000 0.469 298 V N 1.767 121.663 119.914 -0.030 0.000 2.475 298 V HA 0.219 4.339 4.120 -0.000 0.000 0.292 298 V C 1.305 177.403 176.094 0.007 0.000 1.003 298 V CA 1.157 63.447 62.300 -0.016 0.000 1.120 298 V CB -0.272 31.537 31.823 -0.023 0.000 0.937 298 V HN 0.632 nan 8.190 nan 0.000 0.476 299 G N 4.108 112.920 108.800 0.021 0.000 2.238 299 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 299 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 299 G C 0.307 175.231 174.900 0.040 0.000 0.996 299 G CA -0.094 45.025 45.100 0.031 0.000 0.632 299 G HN 0.579 nan 8.290 nan 0.000 0.503 300 K N 0.935 121.358 120.400 0.039 0.000 2.102 300 K HA 0.608 4.928 4.320 -0.000 0.000 0.244 300 K C 0.340 176.980 176.600 0.068 0.000 1.021 300 K CA 0.395 56.712 56.287 0.049 0.000 0.913 300 K CB 1.067 33.590 32.500 0.037 0.000 1.062 300 K HN 0.488 nan 8.250 nan 0.000 0.485 301 S N 0.545 116.295 115.700 0.083 0.000 2.548 301 S HA 0.532 5.002 4.470 -0.000 0.000 0.286 301 S C -0.601 174.066 174.600 0.113 0.000 1.098 301 S CA -1.061 57.202 58.200 0.105 0.000 0.930 301 S CB 0.901 64.169 63.200 0.114 0.000 1.070 301 S HN 0.377 nan 8.310 nan 0.000 0.480 302 L N 2.215 123.496 121.223 0.098 0.000 2.375 302 L HA 0.702 5.042 4.340 -0.000 0.000 0.268 302 L C -0.790 176.166 176.870 0.145 0.000 1.058 302 L CA -1.079 53.787 54.840 0.044 0.000 0.803 302 L CB 1.074 43.132 42.059 -0.002 0.000 1.212 302 L HN 0.916 nan 8.230 nan 0.000 0.451 303 Y N -0.553 119.798 120.300 0.084 0.000 2.562 303 Y HA 0.815 5.365 4.550 -0.000 0.000 0.345 303 Y C -1.142 174.759 175.900 0.001 0.000 1.045 303 Y CA -1.400 56.726 58.100 0.043 0.000 1.028 303 Y CB 1.046 39.513 38.460 0.013 0.000 1.297 303 Y HN 0.151 nan 8.280 nan 0.000 0.463 304 V N 1.107 121.078 119.914 0.095 0.000 2.715 304 V HA 0.686 4.806 4.120 -0.000 0.000 0.310 304 V C -0.475 175.587 176.094 -0.053 0.000 1.054 304 V CA -0.844 61.339 62.300 -0.194 0.000 0.928 304 V CB 1.654 33.280 31.823 -0.328 0.000 1.007 304 V HN 0.849 nan 8.190 nan 0.000 0.437 305 S N 2.072 117.697 115.700 -0.124 0.000 2.552 305 S HA 0.788 5.258 4.470 -0.000 0.000 0.314 305 S C -0.202 174.346 174.600 -0.087 0.000 1.099 305 S CA -0.380 57.787 58.200 -0.055 0.000 1.070 305 S CB 1.489 64.692 63.200 0.006 0.000 0.998 305 S HN 1.157 nan 8.310 nan 0.000 0.474 306 A N 3.130 125.917 122.820 -0.056 0.000 2.304 306 A HA 0.707 5.027 4.320 -0.000 0.000 0.314 306 A C -0.224 177.365 177.584 0.007 0.000 1.187 306 A CA -0.584 51.433 52.037 -0.035 0.000 0.810 306 A CB 0.689 19.662 19.000 -0.044 0.000 1.183 306 A HN 0.564 nan 8.150 nan 0.000 0.487 307 T N 2.466 117.054 114.554 0.057 0.000 2.772 307 T HA 0.461 4.811 4.350 -0.000 0.000 0.288 307 T C -0.534 174.244 174.700 0.131 0.000 0.994 307 T CA -0.201 61.954 62.100 0.092 0.000 0.951 307 T CB 0.901 69.839 68.868 0.116 0.000 0.933 307 T HN 0.389 nan 8.240 nan 0.000 0.447 308 V N 5.874 125.859 119.914 0.118 0.000 2.311 308 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 308 V C -0.024 176.183 176.094 0.188 0.000 1.022 308 V CA -0.739 61.638 62.300 0.129 0.000 0.830 308 V CB 0.707 32.636 31.823 0.176 0.000 1.012 308 V HN 0.796 nan 8.190 nan 0.000 0.452 309 I N 5.353 125.990 120.570 0.112 0.000 2.331 309 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 309 I C 0.231 176.338 176.117 -0.017 0.000 0.998 309 I CA -0.349 61.015 61.300 0.107 0.000 1.267 309 I CB 1.457 39.540 38.000 0.138 0.000 1.386 309 I HN 0.436 nan 8.210 nan 0.000 0.476 310 L N 5.528 126.762 121.223 0.019 0.000 2.482 310 L HA 0.005 4.345 4.340 -0.000 0.000 0.273 310 L C 1.277 178.133 176.870 -0.023 0.000 1.228 310 L CA 0.571 55.367 54.840 -0.073 0.000 0.827 310 L CB 0.392 42.465 42.059 0.024 0.000 1.099 310 L HN 0.647 nan 8.230 nan 0.000 0.494 311 H N -0.616 118.454 119.070 -0.001 0.000 2.482 311 H HA -0.047 4.509 4.556 -0.000 0.000 0.286 311 H C 1.719 177.067 175.328 0.033 0.000 1.017 311 H CA 0.950 57.006 56.048 0.014 0.000 1.322 311 H CB 0.509 30.270 29.762 -0.002 0.000 1.426 311 H HN 0.719 nan 8.280 nan 0.000 0.546 312 S N -0.345 115.456 115.700 0.169 0.000 2.311 312 S HA 0.029 4.499 4.470 -0.000 0.000 0.209 312 S C 1.469 176.138 174.600 0.116 0.000 1.029 312 S CA 0.561 58.836 58.200 0.125 0.000 0.968 312 S CB -0.365 62.909 63.200 0.123 0.000 0.946 312 S HN 0.451 nan 8.310 nan 0.000 0.450 313 G N 0.844 109.721 108.800 0.128 0.000 2.537 313 G HA2 0.410 4.370 3.960 -0.000 0.000 0.297 313 G HA3 0.410 4.370 3.960 -0.000 0.000 0.297 313 G C 0.686 175.654 174.900 0.113 0.000 1.310 313 G CA 0.136 45.308 45.100 0.120 0.000 1.027 313 G HN 0.425 nan 8.290 nan 0.000 0.505 314 S N -1.251 114.509 115.700 0.101 0.000 2.593 314 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 314 S C 0.171 174.831 174.600 0.101 0.000 0.966 314 S CA -0.024 58.230 58.200 0.091 0.000 0.914 314 S CB -0.268 62.973 63.200 0.069 0.000 0.776 314 S HN 0.521 nan 8.310 nan 0.000 0.523 315 D N 2.176 122.654 120.400 0.129 0.000 2.506 315 D HA 0.296 4.936 4.640 -0.000 0.000 0.234 315 D C -0.198 176.207 176.300 0.174 0.000 1.143 315 D CA 0.756 54.841 54.000 0.142 0.000 0.871 315 D CB 0.254 41.177 40.800 0.206 0.000 1.190 315 D HN 0.304 nan 8.370 nan 0.000 0.459 316 M N 2.077 121.714 119.600 0.061 0.000 2.284 316 M HA 0.364 4.844 4.480 -0.000 0.000 0.281 316 M C -2.311 173.900 176.300 -0.147 0.000 1.083 316 M CA -0.702 54.626 55.300 0.046 0.000 0.965 316 M CB 1.680 34.309 32.600 0.049 0.000 1.717 316 M HN 0.187 nan 8.290 nan 0.000 0.479 317 V N 4.250 124.023 119.914 -0.236 0.000 2.628 317 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 317 V C -0.514 175.502 176.094 -0.130 0.000 1.045 317 V CA -0.568 61.528 62.300 -0.340 0.000 0.905 317 V CB 2.154 33.539 31.823 -0.729 0.000 0.997 317 V HN 0.877 nan 8.190 nan 0.000 0.436 318 Q N 1.598 121.329 119.800 -0.116 0.000 2.301 318 Q HA 0.850 5.190 4.340 -0.000 0.000 0.267 318 Q C -0.742 175.219 176.000 -0.066 0.000 1.035 318 Q CA -0.613 55.152 55.803 -0.063 0.000 0.856 318 Q CB 2.380 31.087 28.738 -0.052 0.000 1.337 318 Q HN 0.953 nan 8.270 nan 0.000 0.450 319 A N 1.909 124.702 122.820 -0.044 0.000 2.520 319 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 319 A C -1.658 175.904 177.584 -0.035 0.000 1.051 319 A CA -0.531 51.481 52.037 -0.042 0.000 0.690 319 A CB 1.811 20.790 19.000 -0.035 0.000 1.281 319 A HN 0.714 nan 8.150 nan 0.000 0.402 320 E N 0.868 121.050 120.200 -0.031 0.000 2.241 320 E HA 0.563 4.913 4.350 -0.000 0.000 0.263 320 E C -0.924 175.673 176.600 -0.005 0.000 0.882 320 E CA -0.718 55.670 56.400 -0.020 0.000 0.769 320 E CB 1.286 30.966 29.700 -0.033 0.000 1.185 320 E HN 0.548 nan 8.360 nan 0.000 0.415 321 R N 2.837 123.345 120.500 0.013 0.000 2.288 321 R HA 0.391 4.731 4.340 -0.000 0.000 0.326 321 R C -1.351 174.998 176.300 0.082 0.000 0.959 321 R CA -0.242 55.879 56.100 0.034 0.000 0.834 321 R CB 0.854 31.172 30.300 0.029 0.000 1.157 321 R HN 0.519 nan 8.270 nan 0.000 0.470 322 S N 1.781 117.529 115.700 0.080 0.000 2.751 322 S HA 0.744 5.214 4.470 -0.000 0.000 0.310 322 S C 0.590 175.253 174.600 0.104 0.000 1.128 322 S CA -0.481 57.797 58.200 0.130 0.000 0.931 322 S CB 1.546 64.793 63.200 0.079 0.000 1.177 322 S HN 1.097 nan 8.310 nan 0.000 0.530 323 G N -0.015 108.859 108.800 0.124 0.000 2.143 323 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 323 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 323 G C -0.087 174.878 174.900 0.109 0.000 0.991 323 G CA 0.055 45.216 45.100 0.101 0.000 0.689 323 G HN 0.825 nan 8.290 nan 0.000 0.522 324 I N 2.025 122.669 120.570 0.124 0.000 2.576 324 I HA 0.170 4.340 4.170 -0.000 0.000 0.288 324 I C -1.808 174.395 176.117 0.145 0.000 1.126 324 I CA -1.586 59.793 61.300 0.132 0.000 1.362 324 I CB 0.544 38.620 38.000 0.126 0.000 1.419 324 I HN -0.081 nan 8.210 nan 0.000 0.533 325 P HA 0.212 nan 4.420 nan 0.000 0.276 325 P C -0.280 177.124 177.300 0.173 0.000 1.243 325 P CA -0.132 63.053 63.100 0.142 0.000 0.768 325 P CB 0.518 32.292 31.700 0.124 0.000 0.856 326 I N 4.088 124.739 120.570 0.136 0.000 2.396 326 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 326 I C 0.567 176.726 176.117 0.071 0.000 1.056 326 I CA -0.232 61.150 61.300 0.136 0.000 1.365 326 I CB 0.476 38.539 38.000 0.106 0.000 1.407 326 I HN 0.144 nan 8.210 nan 0.000 0.509 327 V N 1.917 121.864 119.914 0.057 0.000 2.914 327 V HA 0.404 4.524 4.120 -0.000 0.000 0.314 327 V C 0.320 176.424 176.094 0.017 0.000 1.084 327 V CA -0.632 61.671 62.300 0.006 0.000 0.963 327 V CB 1.581 33.358 31.823 -0.077 0.000 1.025 327 V HN 0.698 nan 8.190 nan 0.000 0.432 328 T N 0.556 115.131 114.554 0.035 0.000 3.065 328 T HA 0.226 4.575 4.350 -0.000 0.000 0.252 328 T C 0.569 175.422 174.700 0.256 0.000 1.099 328 T CA 1.056 63.234 62.100 0.131 0.000 1.063 328 T CB -0.279 68.654 68.868 0.109 0.000 0.948 328 T HN 1.151 nan 8.240 nan 0.000 0.506 329 S N -0.158 115.588 115.700 0.077 0.000 2.543 329 S HA 0.507 4.977 4.470 -0.000 0.000 0.271 329 S C -2.673 171.745 174.600 -0.302 0.000 1.148 329 S CA -1.047 57.127 58.200 -0.043 0.000 0.914 329 S CB 1.896 65.093 63.200 -0.004 0.000 1.096 329 S HN -0.100 nan 8.310 nan 0.000 0.471 330 P HA 0.090 nan 4.420 nan 0.000 0.231 330 P C -0.874 175.837 177.300 -0.982 0.000 1.158 330 P CA 1.106 63.537 63.100 -1.114 0.000 0.763 330 P CB -0.146 30.943 31.700 -1.019 0.000 0.805 331 Y N -1.551 118.587 120.300 -0.271 0.000 2.536 331 Y HA 0.482 5.032 4.550 -0.000 0.000 0.347 331 Y C 0.727 176.531 175.900 -0.161 0.000 1.000 331 Y CA -0.980 57.006 58.100 -0.190 0.000 1.051 331 Y CB 1.428 39.799 38.460 -0.149 0.000 1.259 331 Y HN -0.299 nan 8.280 nan 0.000 0.468 332 Q N 1.567 121.385 119.800 0.030 0.000 2.297 332 Q HA 0.750 5.090 4.340 -0.000 0.000 0.269 332 Q C -1.395 174.531 176.000 -0.124 0.000 1.051 332 Q CA -0.963 54.800 55.803 -0.067 0.000 0.869 332 Q CB 2.912 31.638 28.738 -0.020 0.000 1.346 332 Q HN 0.557 nan 8.270 nan 0.000 0.457 333 I N 1.028 121.429 120.570 -0.281 0.000 2.499 333 I HA 0.338 4.507 4.170 -0.000 0.000 0.288 333 I C -1.188 174.603 176.117 -0.544 0.000 1.048 333 I CA -0.552 60.553 61.300 -0.325 0.000 1.062 333 I CB 1.638 39.461 38.000 -0.295 0.000 1.238 333 I HN 0.580 nan 8.210 nan 0.000 0.426 334 H N 4.905 123.802 119.070 -0.288 0.000 2.622 334 H HA 0.470 5.026 4.556 -0.000 0.000 0.363 334 H C -0.865 174.252 175.328 -0.352 0.000 1.151 334 H CA -0.375 55.567 56.048 -0.177 0.000 1.184 334 H CB 1.802 31.644 29.762 0.133 0.000 1.643 334 H HN 0.400 nan 8.280 nan 0.000 0.531 335 F N 0.140 120.214 119.950 0.206 0.000 2.791 335 F HA 0.099 4.626 4.527 -0.000 0.000 0.308 335 F C 1.612 177.466 175.800 0.091 0.000 1.138 335 F CA -0.247 57.831 58.000 0.131 0.000 1.294 335 F CB 0.170 39.223 39.000 0.089 0.000 0.975 335 F HN 0.566 nan 8.300 nan 0.000 0.512 336 T N -3.241 111.435 114.554 0.203 0.000 3.035 336 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 336 T C 1.751 176.406 174.700 -0.075 0.000 1.109 336 T CA 0.828 62.963 62.100 0.058 0.000 1.119 336 T CB 0.003 68.877 68.868 0.011 0.000 0.900 336 T HN 0.121 nan 8.240 nan 0.000 0.503 337 K N 1.113 121.482 120.400 -0.051 0.000 2.323 337 K HA 0.140 4.460 4.320 -0.000 0.000 0.197 337 K C 0.623 177.235 176.600 0.020 0.000 1.043 337 K CA 0.335 56.556 56.287 -0.111 0.000 0.997 337 K CB 0.011 32.488 32.500 -0.040 0.000 0.807 337 K HN 0.299 nan 8.250 nan 0.000 0.497 338 T N 4.347 118.969 114.554 0.113 0.000 2.869 338 T HA 0.199 4.549 4.350 -0.000 0.000 0.295 338 T C -2.521 172.260 174.700 0.136 0.000 0.987 338 T CA -1.363 60.822 62.100 0.140 0.000 1.109 338 T CB 1.346 70.365 68.868 0.253 0.000 0.932 338 T HN -0.075 nan 8.240 nan 0.000 0.518 339 P HA 0.095 nan 4.420 nan 0.000 0.267 339 P C 0.474 177.933 177.300 0.266 0.000 1.201 339 P CA -0.223 63.006 63.100 0.216 0.000 0.775 339 P CB 0.496 32.353 31.700 0.261 0.000 0.854 340 K N 0.979 121.490 120.400 0.185 0.000 2.399 340 K HA 0.179 4.499 4.320 -0.000 0.000 0.204 340 K C -0.478 175.914 176.600 -0.347 0.000 1.023 340 K CA 0.170 56.407 56.287 -0.084 0.000 1.127 340 K CB 0.139 32.504 32.500 -0.224 0.000 0.856 340 K HN 0.512 nan 8.250 nan 0.000 0.514 341 Y N 0.377 120.815 120.300 0.229 0.000 2.421 341 Y HA 0.310 4.860 4.550 -0.000 0.000 0.339 341 Y C -0.242 175.830 175.900 0.287 0.000 0.996 341 Y CA -1.715 56.511 58.100 0.211 0.000 1.046 341 Y CB 1.351 39.921 38.460 0.183 0.000 1.226 341 Y HN -0.031 nan 8.280 nan 0.000 0.445 342 F N 0.278 120.275 119.950 0.079 0.000 2.575 342 F HA 0.901 5.428 4.527 -0.000 0.000 0.330 342 F C -1.325 174.478 175.800 0.004 0.000 1.056 342 F CA -1.547 56.426 58.000 -0.045 0.000 0.964 342 F CB 1.444 40.093 39.000 -0.585 0.000 1.258 342 F HN 0.196 nan 8.300 nan 0.000 0.484 343 K N 2.673 122.935 120.400 -0.231 0.000 2.389 343 K HA 0.420 4.740 4.320 -0.000 0.000 0.261 343 K C -2.871 173.335 176.600 -0.657 0.000 1.014 343 K CA -1.873 54.029 56.287 -0.641 0.000 0.920 343 K CB 0.954 33.133 32.500 -0.536 0.000 1.149 343 K HN 0.278 nan 8.250 nan 0.000 0.444 344 P HA -0.022 nan 4.420 nan 0.000 0.260 344 P C 0.820 177.955 177.300 -0.276 0.000 1.185 344 P CA 0.912 63.851 63.100 -0.268 0.000 0.763 344 P CB 0.875 32.465 31.700 -0.182 0.000 0.776 345 G N 2.709 111.460 108.800 -0.081 0.000 2.475 345 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 345 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 345 G C 0.203 175.046 174.900 -0.094 0.000 1.127 345 G CA -0.430 44.629 45.100 -0.069 0.000 0.681 345 G HN 0.421 nan 8.290 nan 0.000 0.517 346 M N 2.037 121.539 119.600 -0.163 0.000 2.241 346 M HA 0.353 4.833 4.480 -0.000 0.000 0.335 346 M C -2.130 174.065 176.300 -0.174 0.000 1.122 346 M CA -1.426 53.764 55.300 -0.184 0.000 1.164 346 M CB 0.076 32.525 32.600 -0.251 0.000 1.459 346 M HN 0.017 nan 8.290 nan 0.000 0.461 347 P HA 0.066 nan 4.420 nan 0.000 0.269 347 P C -1.169 176.039 177.300 -0.153 0.000 1.215 347 P CA 0.043 63.041 63.100 -0.169 0.000 0.780 347 P CB 0.296 31.895 31.700 -0.168 0.000 0.898 348 F N 1.950 121.820 119.950 -0.134 0.000 2.460 348 F HA 0.299 4.826 4.527 -0.000 0.000 0.341 348 F C -0.612 175.203 175.800 0.025 0.000 1.130 348 F CA -0.798 57.183 58.000 -0.031 0.000 0.962 348 F CB 0.954 39.947 39.000 -0.012 0.000 1.171 348 F HN 0.130 nan 8.300 nan 0.000 0.436 349 D N 6.946 127.073 120.400 -0.454 0.000 2.249 349 D HA 0.328 4.968 4.640 -0.000 0.000 0.246 349 D C -0.446 175.518 176.300 -0.560 0.000 1.114 349 D CA 0.095 53.888 54.000 -0.346 0.000 0.854 349 D CB 1.999 42.716 40.800 -0.139 0.000 1.132 349 D HN 0.485 nan 8.370 nan 0.000 0.461 350 L N 2.335 123.394 121.223 -0.274 0.000 2.309 350 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 350 L C 0.605 177.469 176.870 -0.011 0.000 1.036 350 L CA -0.506 54.265 54.840 -0.115 0.000 0.806 350 L CB 1.288 43.390 42.059 0.073 0.000 1.220 350 L HN 0.162 nan 8.230 nan 0.000 0.429 351 M N 4.243 123.876 119.600 0.054 0.000 2.901 351 M HA 0.232 4.712 4.480 -0.000 0.000 0.294 351 M C -0.720 175.659 176.300 0.131 0.000 1.255 351 M CA -0.491 54.860 55.300 0.085 0.000 1.274 351 M CB 0.584 33.240 32.600 0.094 0.000 1.173 351 M HN 0.193 nan 8.290 nan 0.000 0.525 352 V N 2.636 122.612 119.914 0.103 0.000 2.529 352 V HA 0.044 4.164 4.120 -0.000 0.000 0.292 352 V C -0.245 175.929 176.094 0.133 0.000 1.028 352 V CA 0.205 62.528 62.300 0.038 0.000 1.074 352 V CB 0.242 32.058 31.823 -0.013 0.000 0.958 352 V HN 0.435 nan 8.190 nan 0.000 0.481 353 F N 6.115 126.018 119.950 -0.078 0.000 2.402 353 F HA 0.607 5.134 4.527 -0.000 0.000 0.355 353 F C -0.210 175.608 175.800 0.029 0.000 1.123 353 F CA -0.957 57.041 58.000 -0.002 0.000 1.021 353 F CB 1.473 40.487 39.000 0.024 0.000 1.160 353 F HN 0.219 nan 8.300 nan 0.000 0.451 354 V N 5.382 125.113 119.914 -0.305 0.000 2.357 354 V HA 0.489 4.609 4.120 -0.000 0.000 0.284 354 V C -0.159 175.711 176.094 -0.373 0.000 1.018 354 V CA -0.489 61.651 62.300 -0.265 0.000 0.841 354 V CB 1.535 33.249 31.823 -0.181 0.000 0.991 354 V HN 0.848 nan 8.190 nan 0.000 0.437 355 T N 1.372 115.778 114.554 -0.245 0.000 2.908 355 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 355 T C -0.226 174.465 174.700 -0.015 0.000 1.034 355 T CA -0.974 61.010 62.100 -0.194 0.000 1.010 355 T CB 1.660 70.383 68.868 -0.240 0.000 1.068 355 T HN 0.404 nan 8.240 nan 0.000 0.481 356 N N 1.992 120.691 118.700 -0.002 0.000 2.354 356 N HA 0.228 4.968 4.740 -0.000 0.000 0.246 356 N C -1.788 173.702 175.510 -0.034 0.000 1.285 356 N CA -1.816 51.219 53.050 -0.025 0.000 0.925 356 N CB 0.275 38.772 38.487 0.016 0.000 1.174 356 N HN 0.418 nan 8.380 nan 0.000 0.478 357 P HA -0.127 nan 4.420 nan 0.000 0.221 357 P C 0.809 178.130 177.300 0.035 0.000 1.145 357 P CA 1.128 64.206 63.100 -0.038 0.000 0.795 357 P CB 0.185 31.849 31.700 -0.061 0.000 0.775 358 D N -1.875 118.555 120.400 0.051 0.000 2.216 358 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 358 D C 1.567 177.898 176.300 0.051 0.000 0.960 358 D CA 1.689 55.727 54.000 0.063 0.000 0.861 358 D CB -0.298 40.545 40.800 0.072 0.000 0.985 358 D HN 0.246 nan 8.370 nan 0.000 0.493 359 G N 0.289 109.112 108.800 0.039 0.000 3.302 359 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 359 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 359 G C 0.267 175.181 174.900 0.022 0.000 1.008 359 G CA 0.286 45.405 45.100 0.033 0.000 0.852 359 G HN 0.626 nan 8.290 nan 0.000 0.485 360 S N 2.340 118.058 115.700 0.031 0.000 2.580 360 S HA 0.654 5.124 4.470 -0.000 0.000 0.274 360 S C -2.037 172.564 174.600 0.002 0.000 1.329 360 S CA -0.934 57.288 58.200 0.037 0.000 1.036 360 S CB 1.891 65.122 63.200 0.052 0.000 0.919 360 S HN 0.340 nan 8.310 nan 0.000 0.515 361 P HA 0.326 nan 4.420 nan 0.000 0.272 361 P C -1.064 176.255 177.300 0.032 0.000 1.230 361 P CA -0.397 62.677 63.100 -0.043 0.000 0.788 361 P CB 0.528 32.254 31.700 0.043 0.000 0.949 362 A N 2.640 125.480 122.820 0.033 0.000 2.304 362 A HA 0.394 4.714 4.320 -0.000 0.000 0.314 362 A C -1.052 176.610 177.584 0.129 0.000 1.187 362 A CA -0.769 51.340 52.037 0.120 0.000 0.810 362 A CB 0.311 19.432 19.000 0.202 0.000 1.183 362 A HN 0.601 nan 8.150 nan 0.000 0.487 363 Y N 2.605 122.920 120.300 0.026 0.000 2.319 363 Y HA 0.431 4.981 4.550 -0.000 0.000 0.328 363 Y C 0.812 176.703 175.900 -0.014 0.000 1.133 363 Y CA 0.148 58.252 58.100 0.007 0.000 1.265 363 Y CB 0.404 38.876 38.460 0.021 0.000 1.218 363 Y HN 0.864 nan 8.280 nan 0.000 0.508 364 R N 3.016 123.165 120.500 -0.584 0.000 2.983 364 R HA -0.110 4.230 4.340 -0.000 0.000 0.272 364 R C -1.920 174.188 176.300 -0.319 0.000 0.926 364 R CA 0.379 56.141 56.100 -0.564 0.000 0.667 364 R CB -1.820 28.061 30.300 -0.698 0.000 1.540 364 R HN 0.410 nan 8.270 nan 0.000 0.467 365 V N 2.014 121.758 119.914 -0.283 0.000 2.325 365 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 365 V C -1.908 174.040 176.094 -0.244 0.000 1.016 365 V CA -1.913 60.188 62.300 -0.332 0.000 0.818 365 V CB 1.753 33.305 31.823 -0.452 0.000 1.019 365 V HN 0.193 nan 8.190 nan 0.000 0.434 366 P HA 0.160 nan 4.420 nan 0.000 0.265 366 P C -0.450 176.770 177.300 -0.133 0.000 1.222 366 P CA 0.386 63.399 63.100 -0.144 0.000 0.767 366 P CB 0.600 32.228 31.700 -0.120 0.000 0.801 367 V N 1.035 120.888 119.914 -0.102 0.000 2.914 367 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 367 V C -0.497 175.570 176.094 -0.045 0.000 1.084 367 V CA -1.314 60.938 62.300 -0.080 0.000 0.963 367 V CB 1.928 33.702 31.823 -0.082 0.000 1.025 367 V HN 0.569 nan 8.190 nan 0.000 0.432 368 A N 2.120 124.923 122.820 -0.028 0.000 2.593 368 A HA 0.921 5.241 4.320 -0.000 0.000 0.290 368 A C -0.965 176.626 177.584 0.011 0.000 1.126 368 A CA -0.707 51.324 52.037 -0.010 0.000 0.695 368 A CB 1.892 20.882 19.000 -0.017 0.000 1.290 368 A HN 1.367 nan 8.150 nan 0.000 0.414 369 V N 1.736 121.661 119.914 0.017 0.000 2.539 369 V HA 0.304 4.424 4.120 -0.000 0.000 0.292 369 V C 0.250 176.354 176.094 0.017 0.000 1.045 369 V CA -0.750 61.569 62.300 0.031 0.000 0.945 369 V CB 1.414 33.258 31.823 0.034 0.000 0.993 369 V HN 0.868 nan 8.190 nan 0.000 0.464 370 Q N 1.612 121.424 119.800 0.020 0.000 2.454 370 Q HA 0.274 4.614 4.340 -0.000 0.000 0.247 370 Q C 1.442 177.441 176.000 -0.002 0.000 1.028 370 Q CA 1.082 56.890 55.803 0.007 0.000 0.910 370 Q CB 0.859 29.603 28.738 0.009 0.000 1.276 370 Q HN 1.142 nan 8.270 nan 0.000 0.489 371 G N 1.734 110.530 108.800 -0.006 0.000 3.078 371 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.227 371 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.227 371 G C 0.003 174.899 174.900 -0.005 0.000 1.306 371 G CA 0.349 45.444 45.100 -0.008 0.000 0.841 371 G HN 0.539 nan 8.290 nan 0.000 0.530 372 E N 2.053 122.250 120.200 -0.005 0.000 2.373 372 E HA 0.338 4.688 4.350 -0.000 0.000 0.251 372 E C -0.141 176.457 176.600 -0.004 0.000 0.923 372 E CA 0.046 56.444 56.400 -0.004 0.000 0.798 372 E CB 1.614 31.311 29.700 -0.005 0.000 1.303 372 E HN 0.642 nan 8.360 nan 0.000 0.412 373 D N 1.408 121.805 120.400 -0.005 0.000 2.428 373 D HA 0.231 4.871 4.640 -0.000 0.000 0.272 373 D C 0.254 176.549 176.300 -0.010 0.000 1.195 373 D CA 0.021 54.017 54.000 -0.007 0.000 1.105 373 D CB -0.424 40.370 40.800 -0.009 0.000 1.109 373 D HN 0.280 nan 8.370 nan 0.000 0.433 374 T N -1.894 112.652 114.554 -0.013 0.000 0.541 374 T HA -0.165 4.185 4.350 -0.000 0.000 0.774 374 T C 1.262 175.952 174.700 -0.016 0.000 0.992 374 T CA 1.442 63.533 62.100 -0.015 0.000 4.077 374 T CB -1.356 67.504 68.868 -0.013 0.000 2.303 374 T HN 1.033 nan 8.240 nan 0.000 0.398 375 V N -0.997 118.907 119.914 -0.017 0.000 0.572 375 V HA -0.405 3.715 4.120 -0.000 0.000 0.092 375 V C 1.190 177.271 176.094 -0.021 0.000 1.935 375 V CA 3.601 65.890 62.300 -0.017 0.000 3.442 375 V CB -1.943 29.871 31.823 -0.015 0.000 0.733 375 V HN 1.531 nan 8.190 nan 0.000 0.760 376 Q N -1.025 118.761 119.800 -0.022 0.000 0.390 376 Q HA -0.088 4.252 4.340 -0.000 0.000 0.296 376 Q C -0.224 175.758 176.000 -0.031 0.000 1.087 376 Q CA 0.989 56.774 55.803 -0.029 0.000 0.275 376 Q CB -0.596 28.121 28.738 -0.036 0.000 5.572 376 Q HN 1.807 nan 8.270 nan 0.000 0.308 377 S N -1.176 114.498 115.700 -0.042 0.000 2.672 377 S HA 0.850 5.320 4.470 -0.000 0.000 0.271 377 S C -1.863 172.698 174.600 -0.064 0.000 1.171 377 S CA -0.863 57.310 58.200 -0.044 0.000 0.817 377 S CB 1.591 64.772 63.200 -0.032 0.000 1.150 377 S HN 0.763 nan 8.310 nan 0.000 0.478 378 L N 1.262 122.447 121.223 -0.064 0.000 2.409 378 L HA 0.634 4.974 4.340 -0.000 0.000 0.272 378 L C -0.422 176.400 176.870 -0.079 0.000 0.980 378 L CA 0.104 54.886 54.840 -0.095 0.000 0.826 378 L CB 2.144 44.143 42.059 -0.100 0.000 1.268 378 L HN 0.944 nan 8.230 nan 0.000 0.407 379 T N 2.913 117.400 114.554 -0.111 0.000 2.901 379 T HA 0.266 4.616 4.350 -0.000 0.000 0.301 379 T C 0.194 174.913 174.700 0.032 0.000 1.012 379 T CA -0.218 61.854 62.100 -0.048 0.000 1.135 379 T CB 0.854 69.677 68.868 -0.075 0.000 0.936 379 T HN 0.541 nan 8.240 nan 0.000 0.539 380 Q N 0.938 120.816 119.800 0.130 0.000 2.247 380 Q HA 0.483 4.823 4.340 -0.000 0.000 0.184 380 Q C 1.876 178.088 176.000 0.354 0.000 1.067 380 Q CA 0.279 56.233 55.803 0.251 0.000 1.115 380 Q CB -0.105 28.716 28.738 0.138 0.000 1.147 380 Q HN 0.781 nan 8.270 nan 0.000 0.599 381 G N -0.034 108.884 108.800 0.197 0.000 2.448 381 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 381 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 381 G C 0.403 175.360 174.900 0.095 0.000 1.135 381 G CA 0.864 45.991 45.100 0.045 0.000 0.784 381 G HN 0.751 nan 8.290 nan 0.000 0.543 382 D N 0.015 120.487 120.400 0.120 0.000 2.328 382 D HA 0.136 4.776 4.640 -0.000 0.000 0.226 382 D C 1.586 178.048 176.300 0.269 0.000 1.066 382 D CA 0.597 54.697 54.000 0.167 0.000 0.861 382 D CB -0.335 40.546 40.800 0.135 0.000 0.912 382 D HN 0.407 nan 8.370 nan 0.000 0.521 383 G N 0.069 108.986 108.800 0.196 0.000 2.136 383 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 383 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 383 G C 0.044 175.061 174.900 0.196 0.000 0.989 383 G CA 0.254 45.423 45.100 0.115 0.000 0.682 383 G HN 0.369 nan 8.290 nan 0.000 0.522 384 V N -0.185 119.869 119.914 0.233 0.000 2.628 384 V HA 0.937 5.057 4.120 -0.000 0.000 0.306 384 V C 0.384 176.540 176.094 0.103 0.000 1.045 384 V CA -0.229 62.202 62.300 0.218 0.000 0.905 384 V CB 1.787 33.737 31.823 0.212 0.000 0.997 384 V HN 1.436 nan 8.190 nan 0.000 0.436 385 A N 3.801 126.663 122.820 0.070 0.000 2.515 385 A HA 0.818 5.138 4.320 -0.000 0.000 0.298 385 A C -0.705 176.893 177.584 0.024 0.000 1.059 385 A CA -0.909 51.145 52.037 0.028 0.000 0.698 385 A CB 1.707 20.703 19.000 -0.005 0.000 1.289 385 A HN 0.935 nan 8.150 nan 0.000 0.404 386 K N 1.427 121.831 120.400 0.007 0.000 2.156 386 K HA 0.804 5.124 4.320 -0.000 0.000 0.271 386 K C -1.540 175.056 176.600 -0.006 0.000 0.995 386 K CA -0.385 55.900 56.287 -0.003 0.000 0.890 386 K CB 1.207 33.696 32.500 -0.019 0.000 1.073 386 K HN 0.479 nan 8.250 nan 0.000 0.454 387 L N 2.026 123.247 121.223 -0.004 0.000 2.438 387 L HA 0.311 4.651 4.340 -0.000 0.000 0.270 387 L C -0.945 175.921 176.870 -0.008 0.000 0.972 387 L CA -0.678 54.164 54.840 0.003 0.000 0.831 387 L CB 2.417 44.492 42.059 0.027 0.000 1.273 387 L HN 0.813 nan 8.230 nan 0.000 0.405 388 S N 3.881 119.577 115.700 -0.007 0.000 2.501 388 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 388 S C -0.717 173.890 174.600 0.012 0.000 1.096 388 S CA -0.538 57.657 58.200 -0.007 0.000 1.063 388 S CB 0.969 64.161 63.200 -0.014 0.000 1.042 388 S HN 0.454 nan 8.310 nan 0.000 0.494 389 I N 1.724 122.317 120.570 0.038 0.000 2.468 389 I HA 0.574 4.744 4.170 -0.000 0.000 0.285 389 I C -1.025 175.095 176.117 0.005 0.000 1.039 389 I CA -0.999 60.313 61.300 0.021 0.000 1.074 389 I CB 1.645 39.662 38.000 0.028 0.000 1.228 389 I HN 0.283 nan 8.210 nan 0.000 0.436 390 N N 4.801 123.480 118.700 -0.035 0.000 2.405 390 N HA 0.358 5.098 4.740 -0.000 0.000 0.260 390 N C -0.107 175.336 175.510 -0.111 0.000 1.152 390 N CA -0.058 52.951 53.050 -0.069 0.000 0.948 390 N CB 1.116 39.552 38.487 -0.084 0.000 1.111 390 N HN 0.843 nan 8.380 nan 0.000 0.485 391 T N -1.101 113.393 114.554 -0.100 0.000 2.950 391 T HA 0.377 4.727 4.350 -0.000 0.000 0.288 391 T C 0.035 174.673 174.700 -0.103 0.000 1.035 391 T CA -0.874 61.160 62.100 -0.109 0.000 1.028 391 T CB 0.984 69.801 68.868 -0.086 0.000 1.109 391 T HN 0.343 nan 8.240 nan 0.000 0.514 392 H N 0.887 119.954 119.070 -0.005 0.000 2.771 392 H HA 0.185 4.741 4.556 -0.000 0.000 0.364 392 H C -2.231 173.123 175.328 0.043 0.000 1.133 392 H CA -1.293 54.764 56.048 0.014 0.000 1.423 392 H CB 0.169 29.937 29.762 0.010 0.000 1.425 392 H HN 0.390 nan 8.280 nan 0.000 0.606 393 P HA 0.043 nan 4.420 nan 0.000 0.252 393 P C -0.799 176.579 177.300 0.130 0.000 1.694 393 P CA 0.376 63.543 63.100 0.111 0.000 1.163 393 P CB -0.117 31.640 31.700 0.095 0.000 1.934 394 S N 1.501 117.297 115.700 0.160 0.000 2.503 394 S HA 0.222 4.692 4.470 -0.000 0.000 0.301 394 S C 0.905 175.600 174.600 0.159 0.000 1.087 394 S CA -0.594 57.691 58.200 0.141 0.000 1.042 394 S CB 1.807 65.081 63.200 0.123 0.000 1.043 394 S HN 0.260 nan 8.310 nan 0.000 0.489 395 Q N 1.121 120.990 119.800 0.114 0.000 2.435 395 Q HA 0.068 4.408 4.340 -0.000 0.000 0.207 395 Q C -0.331 175.744 176.000 0.125 0.000 0.956 395 Q CA 0.767 56.632 55.803 0.103 0.000 0.917 395 Q CB 0.111 28.895 28.738 0.077 0.000 0.997 395 Q HN 0.545 nan 8.270 nan 0.000 0.497 396 K N 1.828 122.304 120.400 0.126 0.000 2.382 396 K HA 0.135 4.455 4.320 -0.000 0.000 0.275 396 K C -2.356 174.342 176.600 0.163 0.000 1.009 396 K CA -1.446 54.903 56.287 0.104 0.000 0.970 396 K CB 0.158 32.689 32.500 0.052 0.000 0.934 396 K HN -0.018 nan 8.250 nan 0.000 0.479 397 P HA -0.039 nan 4.420 nan 0.000 0.265 397 P C -0.756 176.507 177.300 -0.060 0.000 1.193 397 P CA 0.033 63.198 63.100 0.109 0.000 0.765 397 P CB 0.472 32.194 31.700 0.037 0.000 0.823 398 L N 2.495 123.558 121.223 -0.266 0.000 2.276 398 L HA 0.322 4.662 4.340 -0.000 0.000 0.286 398 L C 0.254 176.905 176.870 -0.365 0.000 1.061 398 L CA -0.214 54.315 54.840 -0.518 0.000 0.807 398 L CB 0.860 42.208 42.059 -1.184 0.000 1.177 398 L HN 0.315 nan 8.230 nan 0.000 0.429 399 S N 4.988 120.531 115.700 -0.262 0.000 2.438 399 S HA 0.626 5.096 4.470 -0.000 0.000 0.316 399 S C -0.515 173.965 174.600 -0.199 0.000 1.084 399 S CA -0.578 57.496 58.200 -0.210 0.000 1.107 399 S CB 0.347 63.464 63.200 -0.138 0.000 0.981 399 S HN 0.401 nan 8.310 nan 0.000 0.466 400 I N 3.742 124.176 120.570 -0.226 0.000 2.562 400 I HA 0.473 4.643 4.170 -0.000 0.000 0.301 400 I C 0.092 176.129 176.117 -0.134 0.000 1.003 400 I CA -0.267 60.931 61.300 -0.170 0.000 1.127 400 I CB 2.311 40.214 38.000 -0.162 0.000 1.304 400 I HN 0.402 nan 8.210 nan 0.000 0.446 401 T N 4.359 118.895 114.554 -0.030 0.000 2.879 401 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 401 T C -0.760 174.013 174.700 0.122 0.000 0.993 401 T CA -0.521 61.612 62.100 0.056 0.000 0.975 401 T CB 1.608 70.493 68.868 0.029 0.000 0.981 401 T HN 0.214 nan 8.240 nan 0.000 0.439 402 V N 4.270 124.329 119.914 0.242 0.000 2.378 402 V HA 0.503 4.623 4.120 -0.000 0.000 0.288 402 V C 0.327 176.470 176.094 0.083 0.000 1.016 402 V CA -0.868 61.537 62.300 0.176 0.000 0.840 402 V CB 1.407 33.378 31.823 0.246 0.000 0.994 402 V HN 0.694 nan 8.190 nan 0.000 0.431 403 R N 1.593 122.113 120.500 0.035 0.000 2.607 403 R HA 0.662 5.002 4.340 -0.000 0.000 0.261 403 R C 0.062 176.343 176.300 -0.032 0.000 1.051 403 R CA -0.468 55.633 56.100 0.001 0.000 1.110 403 R CB 1.833 32.133 30.300 0.000 0.000 1.158 403 R HN 0.737 nan 8.270 nan 0.000 0.543 404 T N 0.096 114.619 114.554 -0.052 0.000 2.925 404 T HA 0.321 4.671 4.350 -0.000 0.000 0.285 404 T C -0.479 174.176 174.700 -0.074 0.000 1.021 404 T CA -0.652 61.393 62.100 -0.092 0.000 1.042 404 T CB 0.780 69.560 68.868 -0.147 0.000 1.037 404 T HN 0.268 nan 8.240 nan 0.000 0.481 405 K N 3.619 123.965 120.400 -0.091 0.000 3.029 405 K HA 0.222 4.542 4.320 -0.000 0.000 0.169 405 K C -0.521 176.030 176.600 -0.081 0.000 1.090 405 K CA -0.625 55.621 56.287 -0.068 0.000 0.883 405 K CB 0.974 33.442 32.500 -0.053 0.000 1.080 405 K HN 0.447 nan 8.250 nan 0.000 0.613 406 K N 1.737 122.084 120.400 -0.088 0.000 2.322 406 K HA 0.100 4.420 4.320 -0.000 0.000 0.283 406 K C 0.095 176.672 176.600 -0.038 0.000 1.042 406 K CA -0.193 56.045 56.287 -0.082 0.000 0.958 406 K CB 1.087 33.539 32.500 -0.080 0.000 0.984 406 K HN 0.268 nan 8.250 nan 0.000 0.473 407 Q N 2.438 122.215 119.800 -0.039 0.000 2.364 407 Q HA -0.053 4.287 4.340 -0.000 0.000 0.267 407 Q C -0.603 175.391 176.000 -0.010 0.000 0.999 407 Q CA 1.056 56.844 55.803 -0.025 0.000 0.886 407 Q CB 0.342 29.063 28.738 -0.028 0.000 1.243 407 Q HN 0.663 nan 8.270 nan 0.000 0.415 408 E N 0.585 120.779 120.200 -0.009 0.000 2.868 408 E HA -0.237 4.113 4.350 -0.000 0.000 0.278 408 E C -1.145 175.453 176.600 -0.004 0.000 1.009 408 E CA 0.257 56.654 56.400 -0.005 0.000 0.856 408 E CB -1.345 28.356 29.700 0.002 0.000 1.428 408 E HN 0.387 nan 8.360 nan 0.000 0.423 409 L N 0.507 121.724 121.223 -0.009 0.000 2.408 409 L HA 0.299 4.639 4.340 -0.000 0.000 0.268 409 L C 0.409 177.256 176.870 -0.038 0.000 0.986 409 L CA -0.344 54.481 54.840 -0.025 0.000 0.820 409 L CB 1.937 43.999 42.059 0.004 0.000 1.303 409 L HN 0.111 nan 8.230 nan 0.000 0.411 410 S N 0.838 116.502 115.700 -0.060 0.000 2.584 410 S HA 0.168 4.638 4.470 -0.000 0.000 0.270 410 S C 0.786 175.361 174.600 -0.041 0.000 1.346 410 S CA -0.636 57.536 58.200 -0.047 0.000 1.018 410 S CB 0.811 63.982 63.200 -0.048 0.000 0.899 410 S HN 0.596 nan 8.310 nan 0.000 0.542 411 E N 1.095 121.278 120.200 -0.028 0.000 2.268 411 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 411 E C 1.736 178.326 176.600 -0.017 0.000 0.995 411 E CA 1.207 57.594 56.400 -0.022 0.000 0.836 411 E CB -0.546 29.142 29.700 -0.021 0.000 0.763 411 E HN 0.829 nan 8.360 nan 0.000 0.491 412 A N 0.553 123.364 122.820 -0.015 0.000 2.275 412 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 412 A C 1.622 179.248 177.584 0.069 0.000 1.201 412 A CA 0.097 52.136 52.037 0.005 0.000 0.843 412 A CB 0.066 19.049 19.000 -0.029 0.000 0.873 412 A HN 0.050 nan 8.150 nan 0.000 0.492 413 E N -0.424 119.770 120.200 -0.010 0.000 2.460 413 E HA 0.025 4.375 4.350 -0.000 0.000 0.200 413 E C 0.223 176.802 176.600 -0.036 0.000 1.011 413 E CA -0.162 56.173 56.400 -0.108 0.000 0.912 413 E CB 0.211 29.716 29.700 -0.325 0.000 0.953 413 E HN 0.579 nan 8.360 nan 0.000 0.494 414 Q N 0.252 120.052 119.800 0.000 0.000 2.500 414 Q HA 0.345 4.685 4.340 -0.000 0.000 0.215 414 Q C -0.152 175.867 176.000 0.032 0.000 1.062 414 Q CA 0.071 55.886 55.803 0.021 0.000 0.996 414 Q CB 0.797 29.537 28.738 0.002 0.000 1.239 414 Q HN 0.045 nan 8.270 nan 0.000 0.578 415 A N 0.367 123.202 122.820 0.026 0.000 2.325 415 A HA 0.627 4.947 4.320 -0.000 0.000 0.333 415 A C -0.377 177.205 177.584 -0.004 0.000 1.155 415 A CA -0.359 51.684 52.037 0.010 0.000 0.814 415 A CB 1.693 20.694 19.000 0.002 0.000 1.206 415 A HN 0.559 nan 8.150 nan 0.000 0.482 416 T N 0.117 114.671 114.554 0.001 0.000 2.900 416 T HA 0.728 5.078 4.350 -0.000 0.000 0.295 416 T C -0.979 173.735 174.700 0.023 0.000 1.044 416 T CA -0.573 61.535 62.100 0.015 0.000 0.995 416 T CB 1.140 70.022 68.868 0.024 0.000 1.072 416 T HN 0.871 nan 8.240 nan 0.000 0.473 417 R N 1.585 122.133 120.500 0.080 0.000 2.566 417 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 417 R C -1.415 175.081 176.300 0.327 0.000 1.071 417 R CA -0.350 55.849 56.100 0.164 0.000 0.915 417 R CB 1.960 32.306 30.300 0.077 0.000 1.228 417 R HN 0.741 nan 8.270 nan 0.000 0.449 418 T N 4.651 119.341 114.554 0.227 0.000 2.856 418 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 418 T C -0.307 174.368 174.700 -0.041 0.000 1.008 418 T CA -0.743 61.400 62.100 0.072 0.000 0.997 418 T CB 1.123 69.998 68.868 0.011 0.000 0.992 418 T HN 0.633 nan 8.240 nan 0.000 0.454 419 M N 1.205 120.599 119.600 -0.343 0.000 2.690 419 M HA 0.832 5.312 4.480 -0.000 0.000 0.302 419 M C -1.358 174.776 176.300 -0.277 0.000 1.234 419 M CA -1.159 53.916 55.300 -0.374 0.000 0.853 419 M CB 2.118 34.254 32.600 -0.773 0.000 1.748 419 M HN 0.335 nan 8.290 nan 0.000 0.469 420 Q N 1.470 121.144 119.800 -0.210 0.000 2.333 420 Q HA 0.775 5.115 4.340 -0.000 0.000 0.268 420 Q C -1.924 173.949 176.000 -0.212 0.000 1.007 420 Q CA -0.205 55.485 55.803 -0.188 0.000 0.810 420 Q CB 2.150 30.813 28.738 -0.126 0.000 1.264 420 Q HN 0.877 nan 8.270 nan 0.000 0.452 421 A N 5.190 127.862 122.820 -0.247 0.000 2.287 421 A HA 0.660 4.979 4.320 -0.000 0.000 0.317 421 A C -1.039 176.507 177.584 -0.064 0.000 1.220 421 A CA -0.619 51.275 52.037 -0.239 0.000 0.835 421 A CB 0.394 19.141 19.000 -0.423 0.000 1.180 421 A HN 0.796 nan 8.150 nan 0.000 0.500 422 L N 3.883 125.055 121.223 -0.084 0.000 2.421 422 L HA 0.438 4.778 4.340 -0.000 0.000 0.263 422 L C -1.777 175.240 176.870 0.246 0.000 1.122 422 L CA -1.962 52.929 54.840 0.086 0.000 0.804 422 L CB 0.965 43.029 42.059 0.009 0.000 1.150 422 L HN 0.486 nan 8.230 nan 0.000 0.457 423 P HA 0.024 nan 4.420 nan 0.000 0.274 423 P C -0.440 176.888 177.300 0.048 0.000 1.256 423 P CA -0.248 62.719 63.100 -0.221 0.000 0.795 423 P CB 0.794 32.426 31.700 -0.113 0.000 1.038 424 Y N 1.001 121.217 120.300 -0.139 0.000 3.199 424 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 424 Y C 2.202 178.131 175.900 0.048 0.000 0.804 424 Y CA 2.432 60.555 58.100 0.038 0.000 1.183 424 Y CB -0.448 38.145 38.460 0.222 0.000 1.213 424 Y HN 0.603 nan 8.280 nan 0.000 0.609 425 S N -4.427 111.233 115.700 -0.067 0.000 4.026 425 S HA -0.006 4.464 4.470 -0.000 0.000 0.198 425 S C 0.143 174.719 174.600 -0.039 0.000 1.069 425 S CA 0.297 58.432 58.200 -0.108 0.000 1.200 425 S CB -0.684 62.371 63.200 -0.241 0.000 1.385 425 S HN 0.584 nan 8.310 nan 0.000 0.449 426 T N 2.625 117.142 114.554 -0.062 0.000 3.433 426 T HA -0.093 4.257 4.350 -0.000 0.000 0.412 426 T C -0.006 174.645 174.700 -0.081 0.000 0.768 426 T CA 0.640 62.718 62.100 -0.037 0.000 2.077 426 T CB -2.161 66.625 68.868 -0.137 0.000 1.700 426 T HN 0.947 nan 8.240 nan 0.000 0.666 427 V N 1.007 120.864 119.914 -0.096 0.000 2.493 427 V HA 0.426 4.546 4.120 -0.000 0.000 0.292 427 V C 1.297 177.317 176.094 -0.122 0.000 1.016 427 V CA 0.449 62.695 62.300 -0.090 0.000 1.097 427 V CB 0.835 32.618 31.823 -0.067 0.000 0.947 427 V HN 0.848 nan 8.190 nan 0.000 0.479 428 G N 3.535 112.282 108.800 -0.088 0.000 2.605 428 G HA2 0.485 4.445 3.960 -0.000 0.000 0.304 428 G HA3 0.485 4.445 3.960 -0.000 0.000 0.304 428 G C -0.126 174.750 174.900 -0.040 0.000 1.333 428 G CA -0.666 44.401 45.100 -0.055 0.000 0.973 428 G HN 0.701 nan 8.290 nan 0.000 0.507 429 N N 0.592 119.275 118.700 -0.029 0.000 2.642 429 N HA -0.200 4.540 4.740 -0.000 0.000 0.269 429 N C 1.240 176.739 175.510 -0.018 0.000 1.073 429 N CA 1.199 54.242 53.050 -0.011 0.000 0.748 429 N CB -0.667 37.822 38.487 0.003 0.000 0.894 429 N HN 0.690 nan 8.380 nan 0.000 0.548 430 S N -1.604 114.070 115.700 -0.042 0.000 2.604 430 S HA 0.164 4.634 4.470 -0.000 0.000 0.235 430 S C 0.442 175.011 174.600 -0.053 0.000 1.043 430 S CA -0.218 57.959 58.200 -0.038 0.000 0.997 430 S CB 0.582 63.750 63.200 -0.053 0.000 0.956 430 S HN 0.373 nan 8.310 nan 0.000 0.535 431 N N 2.803 121.432 118.700 -0.119 0.000 2.738 431 N HA -0.106 4.634 4.740 -0.000 0.000 0.249 431 N C -1.663 173.694 175.510 -0.255 0.000 1.047 431 N CA 0.674 53.631 53.050 -0.155 0.000 0.707 431 N CB -1.621 36.928 38.487 0.103 0.000 0.937 431 N HN 0.550 nan 8.380 nan 0.000 0.545 432 N N 0.836 119.271 118.700 -0.442 0.000 2.443 432 N HA 0.398 5.138 4.740 -0.000 0.000 0.269 432 N C -0.487 174.823 175.510 -0.333 0.000 0.985 432 N CA -0.146 52.777 53.050 -0.212 0.000 0.921 432 N CB 0.806 39.294 38.487 0.001 0.000 1.195 432 N HN 0.140 nan 8.380 nan 0.000 0.492 433 Y N 0.359 120.724 120.300 0.108 0.000 2.630 433 Y HA 0.643 5.193 4.550 -0.000 0.000 0.337 433 Y C -0.248 175.742 175.900 0.151 0.000 1.051 433 Y CA -1.234 56.861 58.100 -0.009 0.000 1.121 433 Y CB 1.615 40.003 38.460 -0.119 0.000 1.299 433 Y HN 0.296 nan 8.280 nan 0.000 0.498 434 L N 1.269 122.641 121.223 0.248 0.000 2.410 434 L HA 0.526 4.866 4.340 -0.000 0.000 0.270 434 L C -1.725 175.243 176.870 0.164 0.000 0.983 434 L CA -0.475 54.539 54.840 0.290 0.000 0.822 434 L CB 1.497 43.814 42.059 0.429 0.000 1.285 434 L HN 0.749 nan 8.230 nan 0.000 0.409 435 H N 4.347 123.433 119.070 0.026 0.000 2.589 435 H HA 0.645 5.201 4.556 -0.000 0.000 0.335 435 H C -1.635 173.622 175.328 -0.120 0.000 1.019 435 H CA -0.399 55.627 56.048 -0.036 0.000 1.213 435 H CB 1.207 30.957 29.762 -0.020 0.000 1.472 435 H HN 0.682 nan 8.280 nan 0.000 0.508 436 L N 4.732 125.569 121.223 -0.643 0.000 2.282 436 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 436 L C -0.333 176.072 176.870 -0.775 0.000 1.033 436 L CA -0.553 53.887 54.840 -0.666 0.000 0.807 436 L CB 1.426 43.186 42.059 -0.498 0.000 1.209 436 L HN 0.722 nan 8.230 nan 0.000 0.423 437 S N 2.400 117.773 115.700 -0.545 0.000 2.521 437 S HA 0.853 5.323 4.470 -0.000 0.000 0.295 437 S C -0.716 173.747 174.600 -0.228 0.000 1.098 437 S CA -0.807 57.194 58.200 -0.333 0.000 0.999 437 S CB 2.184 65.300 63.200 -0.140 0.000 1.034 437 S HN 0.197 nan 8.310 nan 0.000 0.483 438 V N 2.617 122.425 119.914 -0.176 0.000 2.823 438 V HA 0.498 4.618 4.120 -0.000 0.000 0.312 438 V C -0.487 175.544 176.094 -0.105 0.000 1.072 438 V CA -0.947 61.266 62.300 -0.146 0.000 0.937 438 V CB 1.863 33.586 31.823 -0.166 0.000 1.013 438 V HN 0.915 nan 8.190 nan 0.000 0.430 439 L N 3.386 124.557 121.223 -0.087 0.000 2.367 439 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 439 L C 0.430 177.257 176.870 -0.072 0.000 1.129 439 L CA 0.121 54.921 54.840 -0.067 0.000 0.839 439 L CB 0.648 42.675 42.059 -0.055 0.000 1.133 439 L HN 0.696 nan 8.230 nan 0.000 0.453 440 R N 3.067 123.533 120.500 -0.057 0.000 2.205 440 R HA 0.470 4.810 4.340 -0.000 0.000 0.342 440 R C -0.803 175.475 176.300 -0.037 0.000 1.058 440 R CA 0.091 56.159 56.100 -0.053 0.000 0.904 440 R CB 0.081 30.361 30.300 -0.033 0.000 1.089 440 R HN 0.823 nan 8.270 nan 0.000 0.471 441 T N -0.095 114.430 114.554 -0.048 0.000 2.864 441 T HA 0.371 4.721 4.350 -0.000 0.000 0.289 441 T C -0.223 174.457 174.700 -0.034 0.000 1.082 441 T CA -1.013 61.067 62.100 -0.033 0.000 1.009 441 T CB 1.297 70.142 68.868 -0.038 0.000 1.234 441 T HN 0.445 nan 8.240 nan 0.000 0.526 442 E N 1.965 122.152 120.200 -0.022 0.000 2.392 442 E HA 0.197 4.547 4.350 -0.000 0.000 0.307 442 E C 0.074 176.650 176.600 -0.039 0.000 1.505 442 E CA -0.213 56.172 56.400 -0.026 0.000 1.716 442 E CB -0.389 29.302 29.700 -0.016 0.000 1.450 442 E HN 0.533 nan 8.360 nan 0.000 0.484 443 L N -1.197 119.994 121.223 -0.053 0.000 2.410 443 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 443 L C 0.069 176.904 176.870 -0.058 0.000 1.152 443 L CA -0.332 54.473 54.840 -0.059 0.000 0.855 443 L CB 0.447 42.464 42.059 -0.071 0.000 1.129 443 L HN -0.086 nan 8.230 nan 0.000 0.463 444 R N 3.121 123.589 120.500 -0.053 0.000 2.637 444 R HA 0.537 4.877 4.340 -0.000 0.000 0.291 444 R C -2.442 173.829 176.300 -0.049 0.000 0.963 444 R CA -1.817 54.256 56.100 -0.045 0.000 0.901 444 R CB 1.500 31.781 30.300 -0.032 0.000 1.160 444 R HN 0.490 nan 8.270 nan 0.000 0.457 445 P HA -0.010 nan 4.420 nan 0.000 0.262 445 P C 0.478 177.764 177.300 -0.023 0.000 1.182 445 P CA 1.024 64.108 63.100 -0.026 0.000 0.761 445 P CB 0.685 32.386 31.700 0.002 0.000 0.795 446 G N 1.526 110.309 108.800 -0.030 0.000 2.284 446 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 446 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 446 G C 0.269 175.145 174.900 -0.040 0.000 1.009 446 G CA -0.402 44.684 45.100 -0.024 0.000 0.625 446 G HN 0.509 nan 8.290 nan 0.000 0.501 447 E N 0.634 120.800 120.200 -0.056 0.000 2.376 447 E HA 0.495 4.845 4.350 -0.000 0.000 0.254 447 E C -0.034 176.514 176.600 -0.086 0.000 1.213 447 E CA 0.434 56.797 56.400 -0.062 0.000 0.945 447 E CB 1.090 30.753 29.700 -0.062 0.000 1.057 447 E HN 0.214 nan 8.360 nan 0.000 0.479 448 T N 0.303 114.810 114.554 -0.078 0.000 2.888 448 T HA 0.496 4.846 4.350 -0.000 0.000 0.284 448 T C -1.321 173.321 174.700 -0.096 0.000 1.017 448 T CA -0.764 61.281 62.100 -0.091 0.000 1.022 448 T CB 0.603 69.432 68.868 -0.065 0.000 1.013 448 T HN 0.187 nan 8.240 nan 0.000 0.465 449 L N 4.789 125.942 121.223 -0.116 0.000 2.376 449 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 449 L C -0.899 175.919 176.870 -0.087 0.000 0.987 449 L CA -0.562 54.217 54.840 -0.101 0.000 0.828 449 L CB 1.658 43.648 42.059 -0.116 0.000 1.249 449 L HN 0.582 nan 8.230 nan 0.000 0.409 450 N N 3.823 122.482 118.700 -0.068 0.000 2.497 450 N HA 0.371 5.111 4.740 -0.000 0.000 0.271 450 N C -0.975 174.493 175.510 -0.069 0.000 1.142 450 N CA -0.136 52.881 53.050 -0.055 0.000 0.965 450 N CB 1.747 40.210 38.487 -0.040 0.000 1.077 450 N HN 0.390 nan 8.380 nan 0.000 0.462 451 V N 2.786 122.663 119.914 -0.061 0.000 2.444 451 V HA 0.307 4.427 4.120 -0.000 0.000 0.294 451 V C -0.405 175.621 176.094 -0.114 0.000 1.022 451 V CA -1.039 61.184 62.300 -0.127 0.000 0.850 451 V CB 1.480 33.207 31.823 -0.160 0.000 0.992 451 V HN 0.517 nan 8.190 nan 0.000 0.426 452 N N 4.281 122.857 118.700 -0.208 0.000 2.422 452 N HA 0.477 5.217 4.740 -0.000 0.000 0.266 452 N C -0.994 174.347 175.510 -0.281 0.000 1.007 452 N CA -0.205 52.770 53.050 -0.125 0.000 0.941 452 N CB 1.055 39.492 38.487 -0.082 0.000 1.115 452 N HN 0.503 nan 8.380 nan 0.000 0.492 453 F N 2.169 122.009 119.950 -0.183 0.000 2.313 453 F HA 0.271 4.798 4.527 -0.000 0.000 0.369 453 F C 0.113 175.804 175.800 -0.182 0.000 1.109 453 F CA -0.806 57.016 58.000 -0.297 0.000 1.132 453 F CB 0.760 39.407 39.000 -0.588 0.000 1.291 453 F HN 0.096 nan 8.300 nan 0.000 0.496 454 L N 4.604 125.841 121.223 0.024 0.000 2.292 454 L HA 0.382 4.722 4.340 -0.000 0.000 0.284 454 L C -0.411 176.534 176.870 0.126 0.000 1.065 454 L CA -0.606 54.293 54.840 0.098 0.000 0.806 454 L CB 1.226 43.385 42.059 0.166 0.000 1.175 454 L HN 0.456 nan 8.230 nan 0.000 0.431 455 L N 5.433 126.730 121.223 0.123 0.000 2.307 455 L HA 0.539 4.879 4.340 -0.000 0.000 0.284 455 L C -0.284 176.659 176.870 0.122 0.000 1.023 455 L CA -0.143 54.777 54.840 0.134 0.000 0.810 455 L CB 1.182 43.300 42.059 0.099 0.000 1.231 455 L HN 0.612 nan 8.230 nan 0.000 0.423 456 R N 6.912 127.512 120.500 0.167 0.000 2.507 456 R HA 0.708 5.048 4.340 -0.000 0.000 0.298 456 R C -1.598 174.816 176.300 0.190 0.000 1.087 456 R CA -0.390 55.812 56.100 0.169 0.000 0.917 456 R CB 0.916 31.333 30.300 0.194 0.000 1.173 456 R HN 0.904 nan 8.270 nan 0.000 0.472 457 M N 0.788 120.463 119.600 0.126 0.000 2.773 457 M HA 0.374 4.854 4.480 -0.000 0.000 0.270 457 M C -1.290 175.054 176.300 0.074 0.000 1.238 457 M CA -1.203 54.162 55.300 0.109 0.000 0.832 457 M CB 1.467 34.135 32.600 0.113 0.000 1.672 457 M HN 0.289 nan 8.290 nan 0.000 0.480 458 D N 0.953 121.394 120.400 0.068 0.000 2.443 458 D HA 0.066 4.706 4.640 -0.000 0.000 0.239 458 D C -0.587 175.707 176.300 -0.010 0.000 1.136 458 D CA -0.075 53.944 54.000 0.032 0.000 0.879 458 D CB 0.815 41.634 40.800 0.032 0.000 1.195 458 D HN 0.637 nan 8.370 nan 0.000 0.443 459 R N 1.273 121.755 120.500 -0.030 0.000 4.576 459 R HA 0.319 4.659 4.340 -0.000 0.000 0.185 459 R C 0.331 176.564 176.300 -0.111 0.000 1.837 459 R CA -0.009 56.061 56.100 -0.051 0.000 1.520 459 R CB 0.011 30.292 30.300 -0.032 0.000 1.403 459 R HN 0.597 nan 8.270 nan 0.000 0.831 460 A N -0.414 122.289 122.820 -0.195 0.000 1.857 460 A HA 0.083 4.403 4.320 -0.000 0.000 0.198 460 A C 0.688 178.006 177.584 -0.444 0.000 1.775 460 A CA -0.272 51.540 52.037 -0.375 0.000 1.281 460 A CB 0.382 19.037 19.000 -0.574 0.000 1.355 460 A HN 0.424 nan 8.150 nan 0.000 0.417 461 H N 0.678 119.738 119.070 -0.017 0.000 2.486 461 H HA 0.188 4.744 4.556 -0.000 0.000 0.284 461 H C 0.609 175.910 175.328 -0.045 0.000 1.103 461 H CA 0.881 56.913 56.048 -0.027 0.000 1.089 461 H CB 0.302 30.054 29.762 -0.017 0.000 1.603 461 H HN 0.783 nan 8.280 nan 0.000 0.557 462 E N 0.169 120.371 120.200 0.004 0.000 2.479 462 E HA 0.161 4.511 4.350 -0.000 0.000 0.193 462 E C 1.673 178.238 176.600 -0.058 0.000 1.049 462 E CA 0.528 56.907 56.400 -0.034 0.000 0.870 462 E CB 0.349 30.031 29.700 -0.030 0.000 0.944 462 E HN 0.192 nan 8.360 nan 0.000 0.492 463 A N 1.074 123.869 122.820 -0.042 0.000 2.169 463 A HA 0.132 4.452 4.320 -0.000 0.000 0.210 463 A C 1.758 179.311 177.584 -0.053 0.000 1.168 463 A CA 0.135 52.145 52.037 -0.046 0.000 0.813 463 A CB 0.008 18.988 19.000 -0.032 0.000 0.861 463 A HN 0.082 nan 8.150 nan 0.000 0.481 464 K N -0.113 120.260 120.400 -0.045 0.000 2.167 464 K HA 0.106 4.426 4.320 -0.000 0.000 0.203 464 K C -0.140 176.383 176.600 -0.129 0.000 1.052 464 K CA 0.309 56.563 56.287 -0.055 0.000 0.956 464 K CB -0.015 32.476 32.500 -0.016 0.000 0.735 464 K HN 0.288 nan 8.250 nan 0.000 0.451 465 I N 2.672 123.131 120.570 -0.186 0.000 2.483 465 I HA -0.034 4.136 4.170 -0.000 0.000 0.291 465 I C 1.105 177.013 176.117 -0.348 0.000 1.112 465 I CA 0.657 61.751 61.300 -0.343 0.000 1.350 465 I CB 0.481 38.202 38.000 -0.465 0.000 1.419 465 I HN 0.086 nan 8.210 nan 0.000 0.523 466 R N 5.609 125.887 120.500 -0.369 0.000 2.221 466 R HA 0.138 4.478 4.340 -0.000 0.000 0.195 466 R C -0.282 175.934 176.300 -0.140 0.000 0.956 466 R CA 0.579 56.570 56.100 -0.182 0.000 1.064 466 R CB 0.069 30.366 30.300 -0.006 0.000 1.049 466 R HN 0.642 nan 8.270 nan 0.000 0.534 467 Y N -2.485 117.664 120.300 -0.251 0.000 2.524 467 Y HA 0.620 5.170 4.550 -0.000 0.000 0.347 467 Y C -1.193 174.490 175.900 -0.361 0.000 1.005 467 Y CA -2.156 55.810 58.100 -0.224 0.000 1.025 467 Y CB 0.591 39.005 38.460 -0.076 0.000 1.275 467 Y HN -0.236 nan 8.280 nan 0.000 0.460 468 Y N 0.833 121.168 120.300 0.058 0.000 2.341 468 Y HA 0.523 5.073 4.550 -0.000 0.000 0.337 468 Y C 0.081 176.066 175.900 0.141 0.000 1.014 468 Y CA -0.907 57.203 58.100 0.018 0.000 1.111 468 Y CB 2.238 40.568 38.460 -0.216 0.000 1.194 468 Y HN 0.688 nan 8.280 nan 0.000 0.462 469 T N 4.851 119.547 114.554 0.237 0.000 2.743 469 T HA 0.287 4.637 4.350 -0.000 0.000 0.293 469 T C -0.960 173.957 174.700 0.362 0.000 0.945 469 T CA -0.410 61.809 62.100 0.198 0.000 1.030 469 T CB -0.476 68.407 68.868 0.026 0.000 0.912 469 T HN 0.468 nan 8.240 nan 0.000 0.483 470 Y N 2.275 122.750 120.300 0.291 0.000 2.409 470 Y HA 0.822 5.372 4.550 -0.000 0.000 0.339 470 Y C -1.320 174.759 175.900 0.297 0.000 1.033 470 Y CA -1.655 56.648 58.100 0.338 0.000 1.094 470 Y CB 0.949 39.640 38.460 0.386 0.000 1.210 470 Y HN 0.407 nan 8.280 nan 0.000 0.456 471 L N 5.440 126.862 121.223 0.331 0.000 2.385 471 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 471 L C -0.969 176.078 176.870 0.294 0.000 0.990 471 L CA -1.005 53.976 54.840 0.234 0.000 0.821 471 L CB 2.052 44.275 42.059 0.273 0.000 1.279 471 L HN 0.644 nan 8.230 nan 0.000 0.412 472 I N 3.928 124.654 120.570 0.260 0.000 2.331 472 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 472 I C -0.203 176.047 176.117 0.221 0.000 0.998 472 I CA -0.335 61.145 61.300 0.300 0.000 1.267 472 I CB 1.589 39.768 38.000 0.298 0.000 1.386 472 I HN 0.525 nan 8.210 nan 0.000 0.476 473 M N 6.549 126.301 119.600 0.252 0.000 2.078 473 M HA 0.295 4.775 4.480 -0.000 0.000 0.320 473 M C -0.469 175.957 176.300 0.210 0.000 0.969 473 M CA -0.140 55.278 55.300 0.195 0.000 0.929 473 M CB 1.132 33.842 32.600 0.184 0.000 1.504 473 M HN 0.521 nan 8.290 nan 0.000 0.419 474 N N 3.515 122.299 118.700 0.140 0.000 2.346 474 N HA 0.241 4.981 4.740 -0.000 0.000 0.289 474 N C -0.676 174.904 175.510 0.117 0.000 1.027 474 N CA -0.089 53.038 53.050 0.129 0.000 0.864 474 N CB 1.494 39.986 38.487 0.008 0.000 1.370 474 N HN 0.619 nan 8.380 nan 0.000 0.481 475 K N 2.522 123.017 120.400 0.158 0.000 3.077 475 K HA -0.237 4.083 4.320 -0.000 0.000 0.264 475 K C 0.777 177.465 176.600 0.146 0.000 1.008 475 K CA 0.763 57.160 56.287 0.183 0.000 0.740 475 K CB -1.654 30.973 32.500 0.211 0.000 1.273 475 K HN 1.038 nan 8.250 nan 0.000 0.477 476 G N 0.197 109.071 108.800 0.124 0.000 2.267 476 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.257 476 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.257 476 G C 0.182 175.111 174.900 0.049 0.000 0.998 476 G CA 0.901 46.048 45.100 0.079 0.000 0.620 476 G HN 0.658 nan 8.290 nan 0.000 0.529 477 R N -0.075 120.456 120.500 0.052 0.000 2.596 477 R HA 0.793 5.133 4.340 -0.000 0.000 0.267 477 R C -0.042 176.287 176.300 0.048 0.000 1.026 477 R CA -0.962 55.156 56.100 0.030 0.000 1.087 477 R CB 0.967 31.280 30.300 0.021 0.000 1.132 477 R HN 0.256 nan 8.270 nan 0.000 0.531 478 L N 2.720 123.965 121.223 0.037 0.000 2.319 478 L HA 0.145 4.485 4.340 -0.000 0.000 0.280 478 L C 0.285 177.170 176.870 0.025 0.000 1.099 478 L CA -0.281 54.590 54.840 0.053 0.000 0.828 478 L CB 1.322 43.415 42.059 0.058 0.000 1.150 478 L HN 0.804 nan 8.230 nan 0.000 0.442 479 L N 3.976 125.212 121.223 0.023 0.000 2.471 479 L HA 0.363 4.703 4.340 -0.000 0.000 0.186 479 L C -0.073 176.784 176.870 -0.022 0.000 1.191 479 L CA 0.907 55.724 54.840 -0.038 0.000 0.835 479 L CB 0.163 42.145 42.059 -0.128 0.000 1.092 479 L HN 0.459 nan 8.230 nan 0.000 0.495 480 K N -0.725 119.687 120.400 0.019 0.000 2.385 480 K HA 0.794 5.114 4.320 -0.000 0.000 0.248 480 K C -1.432 175.183 176.600 0.025 0.000 0.955 480 K CA -0.028 56.284 56.287 0.042 0.000 0.816 480 K CB 2.128 34.687 32.500 0.099 0.000 1.250 480 K HN 0.243 nan 8.250 nan 0.000 0.434 481 A N 0.487 123.285 122.820 -0.038 0.000 2.498 481 A HA 0.938 5.258 4.320 -0.000 0.000 0.298 481 A C -0.587 176.835 177.584 -0.270 0.000 1.075 481 A CA -0.088 51.851 52.037 -0.163 0.000 0.714 481 A CB 1.782 20.752 19.000 -0.050 0.000 1.299 481 A HN 0.712 nan 8.150 nan 0.000 0.407 482 G N 0.416 108.893 108.800 -0.538 0.000 2.435 482 G HA2 0.601 4.561 3.960 -0.000 0.000 0.296 482 G HA3 0.601 4.561 3.960 -0.000 0.000 0.296 482 G C -1.762 172.999 174.900 -0.231 0.000 1.240 482 G CA -0.650 44.249 45.100 -0.335 0.000 0.872 482 G HN 0.690 nan 8.290 nan 0.000 0.480 483 R N -0.686 119.897 120.500 0.139 0.000 2.799 483 R HA 0.720 5.060 4.340 -0.000 0.000 0.270 483 R C -1.579 174.903 176.300 0.303 0.000 1.010 483 R CA -0.817 55.408 56.100 0.208 0.000 0.916 483 R CB 1.886 32.214 30.300 0.047 0.000 1.228 483 R HN 0.575 nan 8.270 nan 0.000 0.469 484 Q N 1.113 121.031 119.800 0.197 0.000 2.275 484 Q HA 0.330 4.670 4.340 -0.000 0.000 0.266 484 Q C -0.989 175.044 176.000 0.055 0.000 1.002 484 Q CA -0.674 55.156 55.803 0.044 0.000 0.761 484 Q CB 1.649 30.248 28.738 -0.232 0.000 1.255 484 Q HN 0.485 nan 8.270 nan 0.000 0.446 485 V N 1.770 121.707 119.914 0.038 0.000 2.924 485 V HA 0.666 4.786 4.120 -0.000 0.000 0.305 485 V C -0.119 175.984 176.094 0.015 0.000 1.073 485 V CA -0.621 61.703 62.300 0.039 0.000 1.098 485 V CB 1.280 33.121 31.823 0.029 0.000 1.000 485 V HN 0.824 nan 8.190 nan 0.000 0.484 486 R N 1.780 122.277 120.500 -0.005 0.000 2.515 486 R HA 0.411 4.751 4.340 -0.000 0.000 0.291 486 R C -1.012 175.271 176.300 -0.028 0.000 1.046 486 R CA -0.558 55.529 56.100 -0.022 0.000 0.914 486 R CB 1.946 32.194 30.300 -0.087 0.000 1.191 486 R HN 1.002 nan 8.270 nan 0.000 0.435 487 E N 5.240 125.432 120.200 -0.012 0.000 2.259 487 E HA 0.253 4.603 4.350 -0.000 0.000 0.281 487 E C -2.280 174.307 176.600 -0.023 0.000 1.037 487 E CA -1.956 54.436 56.400 -0.013 0.000 0.854 487 E CB 0.990 30.687 29.700 -0.004 0.000 1.051 487 E HN 0.269 nan 8.360 nan 0.000 0.409 488 P HA 0.051 nan 4.420 nan 0.000 0.260 488 P C 0.340 177.625 177.300 -0.025 0.000 1.172 488 P CA 1.326 64.405 63.100 -0.036 0.000 0.760 488 P CB 0.634 32.315 31.700 -0.030 0.000 0.773 489 G N 1.768 110.553 108.800 -0.026 0.000 2.179 489 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 489 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 489 G C 0.181 175.079 174.900 -0.005 0.000 0.990 489 G CA -0.399 44.692 45.100 -0.015 0.000 0.646 489 G HN 0.591 nan 8.290 nan 0.000 0.517 490 Q N 0.525 120.324 119.800 -0.002 0.000 2.296 490 Q HA 0.395 4.735 4.340 -0.000 0.000 0.262 490 Q C 0.672 176.691 176.000 0.031 0.000 0.981 490 Q CA -0.144 55.669 55.803 0.016 0.000 0.905 490 Q CB 0.675 29.427 28.738 0.023 0.000 1.186 490 Q HN 0.277 nan 8.270 nan 0.000 0.399 491 D N 2.951 123.373 120.400 0.036 0.000 2.346 491 D HA 0.077 4.717 4.640 -0.000 0.000 0.206 491 D C -0.502 175.837 176.300 0.065 0.000 1.001 491 D CA 0.346 54.374 54.000 0.046 0.000 0.871 491 D CB 0.524 41.345 40.800 0.034 0.000 0.943 491 D HN 0.414 nan 8.370 nan 0.000 0.518 492 L N 0.750 122.012 121.223 0.065 0.000 2.464 492 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 492 L C -1.762 175.155 176.870 0.079 0.000 0.965 492 L CA -0.523 54.362 54.840 0.075 0.000 0.833 492 L CB 2.267 44.359 42.059 0.055 0.000 1.296 492 L HN -0.359 nan 8.230 nan 0.000 0.405 493 V N 4.360 124.337 119.914 0.106 0.000 2.680 493 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 493 V C -0.396 175.780 176.094 0.137 0.000 1.052 493 V CA -0.748 61.602 62.300 0.084 0.000 0.908 493 V CB 1.880 33.732 31.823 0.048 0.000 1.001 493 V HN 0.533 nan 8.190 nan 0.000 0.431 494 V N 4.375 124.341 119.914 0.085 0.000 2.547 494 V HA 0.571 4.691 4.120 -0.000 0.000 0.299 494 V C -0.526 175.608 176.094 0.067 0.000 1.040 494 V CA -0.654 61.706 62.300 0.099 0.000 0.913 494 V CB 1.734 33.581 31.823 0.040 0.000 0.992 494 V HN 0.696 nan 8.190 nan 0.000 0.449 495 L N 7.113 128.396 121.223 0.101 0.000 2.319 495 L HA 0.683 5.023 4.340 -0.000 0.000 0.281 495 L C -2.511 174.334 176.870 -0.042 0.000 1.005 495 L CA -1.852 52.992 54.840 0.006 0.000 0.828 495 L CB 2.000 44.075 42.059 0.026 0.000 1.227 495 L HN 0.433 nan 8.230 nan 0.000 0.415 496 P HA 0.158 nan 4.420 nan 0.000 0.273 496 P C -0.992 176.263 177.300 -0.075 0.000 1.428 496 P CA -0.277 62.790 63.100 -0.055 0.000 0.995 496 P CB 0.784 32.464 31.700 -0.033 0.000 1.286 497 L N 2.958 124.117 121.223 -0.107 0.000 2.272 497 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 497 L C 0.209 176.976 176.870 -0.171 0.000 1.032 497 L CA -0.163 54.595 54.840 -0.137 0.000 0.810 497 L CB 1.422 43.370 42.059 -0.184 0.000 1.205 497 L HN 0.113 nan 8.230 nan 0.000 0.422 498 S N 6.045 121.671 115.700 -0.123 0.000 2.399 498 S HA 0.460 4.930 4.470 -0.000 0.000 0.301 498 S C -0.024 174.463 174.600 -0.188 0.000 1.093 498 S CA -0.690 57.440 58.200 -0.117 0.000 1.077 498 S CB -0.254 62.925 63.200 -0.034 0.000 0.980 498 S HN 0.403 nan 8.310 nan 0.000 0.494 499 I N 5.460 125.834 120.570 -0.325 0.000 2.471 499 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 499 I C 1.320 177.386 176.117 -0.085 0.000 1.079 499 I CA 0.150 61.146 61.300 -0.508 0.000 1.398 499 I CB 0.355 38.017 38.000 -0.563 0.000 1.403 499 I HN 0.597 nan 8.210 nan 0.000 0.530 500 T N 1.057 115.747 114.554 0.227 0.000 2.844 500 T HA 0.298 4.648 4.350 -0.000 0.000 0.274 500 T C 0.988 175.798 174.700 0.183 0.000 0.991 500 T CA -0.352 61.857 62.100 0.182 0.000 0.983 500 T CB 1.002 69.964 68.868 0.156 0.000 1.310 500 T HN 0.591 nan 8.240 nan 0.000 0.596 501 T N -1.542 113.064 114.554 0.086 0.000 3.439 501 T HA 0.149 4.499 4.350 -0.000 0.000 0.251 501 T C 0.064 174.771 174.700 0.012 0.000 1.108 501 T CA 0.008 62.137 62.100 0.048 0.000 0.982 501 T CB -0.650 68.243 68.868 0.042 0.000 1.024 501 T HN 0.494 nan 8.240 nan 0.000 0.573 502 D N -0.247 120.135 120.400 -0.030 0.000 2.369 502 D HA 0.266 4.906 4.640 -0.000 0.000 0.211 502 D C 0.479 176.541 176.300 -0.398 0.000 1.077 502 D CA -0.083 53.781 54.000 -0.228 0.000 0.842 502 D CB 0.057 40.642 40.800 -0.359 0.000 0.947 502 D HN 0.491 nan 8.370 nan 0.000 0.509 503 F N 0.228 120.106 119.950 -0.121 0.000 2.720 503 F HA 0.307 4.834 4.527 -0.000 0.000 0.301 503 F C 0.891 176.634 175.800 -0.095 0.000 1.103 503 F CA -0.357 57.570 58.000 -0.121 0.000 1.291 503 F CB 0.309 39.132 39.000 -0.295 0.000 1.086 503 F HN -0.224 nan 8.300 nan 0.000 0.592 504 I N 3.339 123.859 120.570 -0.083 0.000 2.648 504 I HA 0.024 4.194 4.170 -0.000 0.000 0.284 504 I C -1.331 174.456 176.117 -0.551 0.000 1.153 504 I CA -1.249 59.799 61.300 -0.419 0.000 1.426 504 I CB 0.368 37.997 38.000 -0.618 0.000 1.381 504 I HN -0.138 nan 8.210 nan 0.000 0.571 505 P HA 0.023 nan 4.420 nan 0.000 0.228 505 P C -0.056 177.132 177.300 -0.187 0.000 1.166 505 P CA 0.512 63.275 63.100 -0.563 0.000 0.812 505 P CB 0.485 31.938 31.700 -0.411 0.000 0.857 506 S N -0.358 115.327 115.700 -0.025 0.000 2.550 506 S HA 0.702 5.171 4.470 -0.000 0.000 0.270 506 S C -1.115 173.576 174.600 0.151 0.000 1.145 506 S CA -0.832 57.353 58.200 -0.025 0.000 0.852 506 S CB 1.161 64.367 63.200 0.010 0.000 1.119 506 S HN 0.068 nan 8.310 nan 0.000 0.465 507 F N -0.593 119.309 119.950 -0.080 0.000 2.578 507 F HA 0.820 5.347 4.527 -0.000 0.000 0.311 507 F C -0.436 175.389 175.800 0.043 0.000 1.094 507 F CA -1.141 56.900 58.000 0.068 0.000 0.923 507 F CB 1.397 40.549 39.000 0.253 0.000 1.230 507 F HN 0.684 nan 8.300 nan 0.000 0.450 508 R N 1.873 122.499 120.500 0.211 0.000 2.536 508 R HA 0.750 5.090 4.340 -0.000 0.000 0.279 508 R C -1.663 174.783 176.300 0.242 0.000 1.001 508 R CA -1.225 54.966 56.100 0.152 0.000 1.027 508 R CB 1.947 32.367 30.300 0.201 0.000 1.096 508 R HN 0.816 nan 8.270 nan 0.000 0.502 509 L N 2.042 123.356 121.223 0.152 0.000 2.406 509 L HA 0.370 4.710 4.340 -0.000 0.000 0.270 509 L C -1.484 175.460 176.870 0.122 0.000 0.982 509 L CA -0.526 54.435 54.840 0.201 0.000 0.843 509 L CB 1.971 44.139 42.059 0.181 0.000 1.225 509 L HN 0.276 nan 8.230 nan 0.000 0.412 510 V N 4.436 124.448 119.914 0.163 0.000 2.398 510 V HA 0.913 5.033 4.120 -0.000 0.000 0.286 510 V C 0.234 176.464 176.094 0.227 0.000 1.026 510 V CA -0.159 62.195 62.300 0.089 0.000 0.868 510 V CB 1.193 33.011 31.823 -0.008 0.000 0.982 510 V HN 0.919 nan 8.190 nan 0.000 0.443 511 A N 5.127 128.070 122.820 0.206 0.000 2.386 511 A HA 0.966 5.286 4.320 -0.000 0.000 0.311 511 A C -1.214 176.617 177.584 0.412 0.000 1.068 511 A CA -0.575 51.697 52.037 0.393 0.000 0.743 511 A CB 1.562 20.840 19.000 0.463 0.000 1.258 511 A HN 1.223 nan 8.150 nan 0.000 0.429 512 Y N -0.173 120.350 120.300 0.372 0.000 2.625 512 Y HA 0.799 5.349 4.550 -0.000 0.000 0.338 512 Y C -1.294 174.851 175.900 0.407 0.000 1.123 512 Y CA -1.545 56.727 58.100 0.287 0.000 1.046 512 Y CB 1.132 39.714 38.460 0.203 0.000 1.299 512 Y HN 0.984 nan 8.280 nan 0.000 0.464 513 Y N -0.653 119.759 120.300 0.186 0.000 2.553 513 Y HA 0.809 5.359 4.550 -0.000 0.000 0.347 513 Y C -1.019 174.895 175.900 0.023 0.000 1.019 513 Y CA -1.084 56.968 58.100 -0.080 0.000 1.032 513 Y CB 1.938 40.298 38.460 -0.166 0.000 1.284 513 Y HN 0.929 nan 8.280 nan 0.000 0.466 514 T N 4.354 118.901 114.554 -0.011 0.000 2.906 514 T HA 0.828 5.178 4.350 -0.000 0.000 0.295 514 T C -1.350 173.278 174.700 -0.120 0.000 1.061 514 T CA -0.503 61.551 62.100 -0.077 0.000 1.000 514 T CB 1.078 69.874 68.868 -0.120 0.000 1.103 514 T HN 1.196 nan 8.240 nan 0.000 0.486 515 L N 1.095 122.259 121.223 -0.099 0.000 2.999 515 L HA 0.690 5.030 4.340 -0.000 0.000 0.274 515 L C -1.466 175.338 176.870 -0.111 0.000 1.044 515 L CA -1.510 53.271 54.840 -0.099 0.000 0.943 515 L CB 1.268 43.290 42.059 -0.061 0.000 1.522 515 L HN 0.578 nan 8.230 nan 0.000 0.400 516 I N 1.953 122.455 120.570 -0.113 0.000 2.517 516 I HA 0.393 4.563 4.170 -0.000 0.000 0.285 516 I C 1.307 177.291 176.117 -0.223 0.000 1.106 516 I CA 0.374 61.593 61.300 -0.134 0.000 1.402 516 I CB 0.556 38.495 38.000 -0.102 0.000 1.399 516 I HN 0.769 nan 8.210 nan 0.000 0.535 517 G N 3.827 112.498 108.800 -0.215 0.000 2.653 517 G HA2 0.339 4.299 3.960 -0.000 0.000 0.265 517 G HA3 0.339 4.299 3.960 -0.000 0.000 0.265 517 G C 0.935 175.585 174.900 -0.416 0.000 1.237 517 G CA 0.051 44.993 45.100 -0.264 0.000 0.946 517 G HN 0.796 nan 8.290 nan 0.000 0.522 518 A N -0.906 121.717 122.820 -0.329 0.000 1.930 518 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 518 A C 2.534 180.093 177.584 -0.041 0.000 1.176 518 A CA 2.187 54.107 52.037 -0.195 0.000 0.632 518 A CB -0.535 18.499 19.000 0.057 0.000 0.819 518 A HN 0.627 nan 8.150 nan 0.000 0.445 519 S N -2.528 113.136 115.700 -0.061 0.000 2.371 519 S HA 0.341 4.811 4.470 -0.000 0.000 0.219 519 S C 1.421 175.994 174.600 -0.045 0.000 1.040 519 S CA 1.773 59.953 58.200 -0.033 0.000 0.958 519 S CB 0.143 63.323 63.200 -0.034 0.000 0.860 519 S HN 1.060 nan 8.310 nan 0.000 0.487 520 G N -0.225 108.533 108.800 -0.070 0.000 4.044 520 G HA2 0.107 4.067 3.960 -0.000 0.000 0.189 520 G HA3 0.107 4.067 3.960 -0.000 0.000 0.189 520 G C -0.221 174.634 174.900 -0.074 0.000 0.838 520 G CA -0.422 44.640 45.100 -0.064 0.000 0.876 520 G HN 0.425 nan 8.290 nan 0.000 0.419 521 Q N 0.451 120.202 119.800 -0.081 0.000 2.318 521 Q HA 0.703 5.043 4.340 -0.000 0.000 0.222 521 Q C 0.363 176.296 176.000 -0.111 0.000 1.003 521 Q CA -0.408 55.343 55.803 -0.087 0.000 0.936 521 Q CB 0.690 29.376 28.738 -0.087 0.000 1.204 521 Q HN 0.295 nan 8.270 nan 0.000 0.524 522 R N 0.816 121.249 120.500 -0.111 0.000 2.491 522 R HA 0.107 4.447 4.340 -0.000 0.000 0.283 522 R C -0.855 175.343 176.300 -0.171 0.000 1.072 522 R CA 0.280 56.306 56.100 -0.124 0.000 1.048 522 R CB 0.437 30.679 30.300 -0.097 0.000 0.983 522 R HN 0.613 nan 8.270 nan 0.000 0.450 523 E N 3.102 123.201 120.200 -0.167 0.000 2.165 523 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 523 E C -1.497 174.987 176.600 -0.193 0.000 0.889 523 E CA -0.818 55.463 56.400 -0.199 0.000 0.756 523 E CB 1.332 30.939 29.700 -0.155 0.000 1.131 523 E HN 0.366 nan 8.360 nan 0.000 0.411 524 V N 5.703 125.470 119.914 -0.245 0.000 2.327 524 V HA 0.202 4.322 4.120 -0.000 0.000 0.272 524 V C -0.283 175.743 176.094 -0.113 0.000 1.019 524 V CA -0.778 61.424 62.300 -0.162 0.000 0.814 524 V CB 1.168 32.929 31.823 -0.102 0.000 1.040 524 V HN 0.503 nan 8.190 nan 0.000 0.440 525 V N 3.311 123.035 119.914 -0.317 0.000 2.649 525 V HA 0.854 4.974 4.120 -0.000 0.000 0.292 525 V C 0.584 176.633 176.094 -0.075 0.000 1.055 525 V CA 0.027 62.201 62.300 -0.211 0.000 1.023 525 V CB 1.358 32.911 31.823 -0.451 0.000 0.992 525 V HN 0.920 nan 8.190 nan 0.000 0.480 526 A N 3.249 126.151 122.820 0.137 0.000 2.556 526 A HA 0.851 5.171 4.320 -0.000 0.000 0.294 526 A C -1.314 176.316 177.584 0.076 0.000 1.091 526 A CA -0.515 51.582 52.037 0.100 0.000 0.704 526 A CB 2.178 21.160 19.000 -0.030 0.000 1.300 526 A HN 0.772 nan 8.150 nan 0.000 0.406 527 D N -0.885 119.515 120.400 0.000 0.000 2.655 527 D HA 0.650 5.290 4.640 -0.000 0.000 0.229 527 D C -0.825 175.437 176.300 -0.064 0.000 1.229 527 D CA 0.380 54.373 54.000 -0.011 0.000 0.807 527 D CB 2.093 42.892 40.800 -0.002 0.000 1.514 527 D HN 0.824 nan 8.370 nan 0.000 0.444 528 S N 0.278 115.952 115.700 -0.045 0.000 2.570 528 S HA 0.843 5.313 4.470 -0.000 0.000 0.286 528 S C -1.404 173.188 174.600 -0.013 0.000 1.099 528 S CA -0.745 57.433 58.200 -0.036 0.000 0.913 528 S CB 1.819 64.997 63.200 -0.036 0.000 1.085 528 S HN 0.441 nan 8.310 nan 0.000 0.480 529 V N 1.821 121.725 119.914 -0.017 0.000 2.925 529 V HA 0.764 4.884 4.120 -0.000 0.000 0.311 529 V C -2.091 174.010 176.094 0.011 0.000 1.104 529 V CA -0.706 61.580 62.300 -0.022 0.000 0.954 529 V CB 2.149 33.898 31.823 -0.124 0.000 1.022 529 V HN 1.052 nan 8.190 nan 0.000 0.427 530 W N 5.556 126.749 121.300 -0.179 0.000 2.529 530 W HA 0.769 5.429 4.660 -0.000 0.000 0.321 530 W C -1.440 174.878 176.519 -0.335 0.000 1.047 530 W CA -0.473 56.730 57.345 -0.238 0.000 1.216 530 W CB 1.738 31.107 29.460 -0.151 0.000 1.357 530 W HN 0.456 nan 8.180 nan 0.000 0.489 531 V N 6.165 125.316 119.914 -1.271 0.000 2.531 531 V HA 0.176 4.296 4.120 -0.000 0.000 0.301 531 V C -0.827 174.369 176.094 -1.497 0.000 1.034 531 V CA -0.738 60.792 62.300 -1.282 0.000 0.865 531 V CB 1.585 32.717 31.823 -1.153 0.000 0.995 531 V HN 0.466 nan 8.190 nan 0.000 0.424 532 D N 3.431 123.101 120.400 -1.217 0.000 2.249 532 D HA 0.523 5.163 4.640 -0.000 0.000 0.246 532 D C -0.175 175.901 176.300 -0.373 0.000 1.114 532 D CA -0.058 53.452 54.000 -0.817 0.000 0.854 532 D CB 1.818 42.233 40.800 -0.641 0.000 1.132 532 D HN 0.498 nan 8.370 nan 0.000 0.461 533 V N 1.256 121.039 119.914 -0.217 0.000 2.966 533 V HA 0.555 4.675 4.120 -0.000 0.000 0.317 533 V C 0.206 176.227 176.094 -0.122 0.000 1.070 533 V CA -1.241 60.993 62.300 -0.111 0.000 1.008 533 V CB 1.278 33.087 31.823 -0.023 0.000 1.070 533 V HN 0.428 nan 8.190 nan 0.000 0.457 534 K N 2.108 122.454 120.400 -0.091 0.000 2.437 534 K HA -0.010 4.310 4.320 -0.000 0.000 0.277 534 K C 0.081 176.614 176.600 -0.113 0.000 1.073 534 K CA 0.736 56.979 56.287 -0.074 0.000 1.105 534 K CB -0.626 31.846 32.500 -0.047 0.000 0.881 534 K HN 0.791 nan 8.250 nan 0.000 0.475 535 D N 3.592 123.932 120.400 -0.100 0.000 2.845 535 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 535 D C 0.004 176.288 176.300 -0.026 0.000 1.158 535 D CA 0.099 53.981 54.000 -0.196 0.000 0.990 535 D CB 0.078 40.834 40.800 -0.074 0.000 1.094 535 D HN 0.608 nan 8.370 nan 0.000 0.486 536 S N -1.236 114.462 115.700 -0.004 0.000 2.841 536 S HA 0.369 4.838 4.470 -0.000 0.000 0.274 536 S C 0.407 175.206 174.600 0.332 0.000 1.044 536 S CA -0.637 57.678 58.200 0.192 0.000 0.952 536 S CB 0.959 64.213 63.200 0.090 0.000 1.331 536 S HN 0.259 nan 8.310 nan 0.000 0.610 537 C N 0.943 120.377 119.300 0.223 0.000 2.604 537 C HA 0.465 4.925 4.460 -0.000 0.000 0.396 537 C C 2.211 177.317 174.990 0.193 0.000 1.282 537 C CA -0.363 58.788 59.018 0.222 0.000 2.292 537 C CB 0.505 28.306 27.740 0.101 0.000 2.633 537 C HN 0.627 nan 8.230 nan 0.000 0.620 538 V N 2.787 122.831 119.914 0.216 0.000 2.302 538 V HA 0.094 4.214 4.120 -0.000 0.000 0.243 538 V C 1.702 177.847 176.094 0.085 0.000 1.036 538 V CA 2.125 64.513 62.300 0.147 0.000 1.020 538 V CB -1.255 30.669 31.823 0.168 0.000 0.657 538 V HN 1.060 nan 8.190 nan 0.000 0.453 539 G N -0.229 108.612 108.800 0.069 0.000 2.975 539 G HA2 0.478 4.438 3.960 -0.000 0.000 0.159 539 G HA3 0.478 4.438 3.960 -0.000 0.000 0.159 539 G C -0.155 174.769 174.900 0.039 0.000 1.525 539 G CA 0.576 45.703 45.100 0.045 0.000 1.075 539 G HN 0.718 nan 8.290 nan 0.000 0.574 540 S N -2.108 113.607 115.700 0.025 0.000 2.565 540 S HA 0.627 5.097 4.470 -0.000 0.000 0.269 540 S C -1.772 172.831 174.600 0.005 0.000 1.153 540 S CA -0.671 57.540 58.200 0.017 0.000 0.835 540 S CB 1.942 65.154 63.200 0.020 0.000 1.122 540 S HN 1.125 nan 8.310 nan 0.000 0.462 541 L N 1.614 122.835 121.223 -0.002 0.000 2.505 541 L HA 0.816 5.156 4.340 -0.000 0.000 0.266 541 L C -1.801 175.064 176.870 -0.008 0.000 0.954 541 L CA -0.265 54.570 54.840 -0.009 0.000 0.852 541 L CB 1.970 44.015 42.059 -0.023 0.000 1.282 541 L HN 0.794 nan 8.230 nan 0.000 0.403 542 V N 5.043 124.953 119.914 -0.006 0.000 2.588 542 V HA 0.651 4.771 4.120 -0.000 0.000 0.304 542 V C -0.761 175.327 176.094 -0.010 0.000 1.042 542 V CA -0.740 61.556 62.300 -0.007 0.000 0.877 542 V CB 2.219 34.041 31.823 -0.002 0.000 0.996 542 V HN 0.467 nan 8.190 nan 0.000 0.425 543 V N 5.396 125.301 119.914 -0.015 0.000 2.417 543 V HA 0.686 4.806 4.120 -0.000 0.000 0.291 543 V C -0.159 175.925 176.094 -0.017 0.000 1.024 543 V CA -0.641 61.648 62.300 -0.018 0.000 0.861 543 V CB 1.383 33.190 31.823 -0.027 0.000 0.985 543 V HN 1.056 nan 8.190 nan 0.000 0.436 544 K N 1.852 122.244 120.400 -0.014 0.000 2.499 544 K HA 0.699 5.019 4.320 -0.000 0.000 0.277 544 K C -0.479 176.114 176.600 -0.011 0.000 1.025 544 K CA -0.797 55.483 56.287 -0.012 0.000 0.900 544 K CB 1.620 34.115 32.500 -0.008 0.000 1.494 544 K HN 0.515 nan 8.250 nan 0.000 0.442 545 S N -0.481 115.213 115.700 -0.010 0.000 2.516 545 S HA 0.176 4.646 4.470 -0.000 0.000 0.282 545 S C 0.984 175.580 174.600 -0.006 0.000 1.286 545 S CA -0.228 57.967 58.200 -0.009 0.000 1.066 545 S CB 0.773 63.969 63.200 -0.007 0.000 0.884 545 S HN 0.818 nan 8.310 nan 0.000 0.491 546 G N 2.268 111.065 108.800 -0.006 0.000 2.430 546 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 546 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 546 G C 0.721 175.619 174.900 -0.003 0.000 1.146 546 G CA 0.004 45.102 45.100 -0.004 0.000 0.793 546 G HN 0.903 nan 8.290 nan 0.000 0.537 547 Q N 0.184 119.983 119.800 -0.003 0.000 2.417 547 Q HA 0.286 4.626 4.340 -0.000 0.000 0.241 547 Q C 0.031 176.030 176.000 -0.002 0.000 1.008 547 Q CA -0.084 55.718 55.803 -0.002 0.000 0.901 547 Q CB 0.839 29.576 28.738 -0.002 0.000 1.259 547 Q HN -0.010 nan 8.270 nan 0.000 0.489 548 S N 0.995 116.695 115.700 -0.001 0.000 3.593 548 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 548 S C 0.616 175.216 174.600 -0.001 0.000 1.333 548 S CA 0.747 58.947 58.200 -0.001 0.000 1.164 548 S CB -1.137 62.062 63.200 -0.000 0.000 1.281 548 S HN 0.858 nan 8.310 nan 0.000 0.457 549 E N 0.494 120.693 120.200 -0.001 0.000 4.052 549 E HA -0.394 3.956 4.350 -0.000 0.000 0.197 549 E C 0.382 176.982 176.600 -0.000 0.000 1.231 549 E CA 2.034 58.434 56.400 -0.001 0.000 2.254 549 E CB -1.804 27.896 29.700 -0.000 0.000 1.844 549 E HN 0.675 nan 8.360 nan 0.000 0.340 550 D N -0.514 119.886 120.400 0.000 0.000 4.230 550 D HA -0.231 4.409 4.640 -0.000 0.000 0.138 550 D C 0.406 176.707 176.300 0.001 0.000 0.772 550 D CA 2.033 56.033 54.000 0.000 0.000 1.136 550 D CB -0.829 39.971 40.800 0.000 0.000 0.547 550 D HN 0.372 nan 8.370 nan 0.000 0.537 551 R N 1.548 122.048 120.500 0.001 0.000 2.930 551 R HA 0.353 4.693 4.340 -0.000 0.000 0.257 551 R C -0.380 175.921 176.300 0.001 0.000 1.107 551 R CA -0.501 55.600 56.100 0.002 0.000 0.999 551 R CB 0.915 31.216 30.300 0.002 0.000 1.209 551 R HN 0.610 nan 8.270 nan 0.000 0.486 552 Q N 1.761 121.562 119.800 0.002 0.000 2.394 552 Q HA 0.374 4.714 4.340 -0.000 0.000 0.248 552 Q C -1.862 174.139 176.000 0.002 0.000 0.992 552 Q CA -1.570 54.234 55.803 0.002 0.000 0.888 552 Q CB -0.145 28.596 28.738 0.005 0.000 1.257 552 Q HN 0.214 nan 8.270 nan 0.000 0.462 553 P HA -0.019 nan 4.420 nan 0.000 0.267 553 P C -0.997 176.304 177.300 0.002 0.000 1.200 553 P CA -0.208 62.892 63.100 0.000 0.000 0.772 553 P CB 0.816 32.515 31.700 -0.002 0.000 0.855 554 V N 3.396 123.311 119.914 0.002 0.000 2.914 554 V HA 0.435 4.555 4.120 -0.000 0.000 0.314 554 V C -2.434 173.661 176.094 0.002 0.000 1.084 554 V CA -2.608 59.694 62.300 0.003 0.000 0.963 554 V CB 1.919 33.743 31.823 0.002 0.000 1.025 554 V HN 0.445 nan 8.190 nan 0.000 0.432 555 P HA 0.274 nan 4.420 nan 0.000 0.264 555 P C 0.480 177.781 177.300 0.001 0.000 1.183 555 P CA 1.466 64.568 63.100 0.003 0.000 0.763 555 P CB 0.504 32.207 31.700 0.005 0.000 0.807 556 G N 1.112 109.912 108.800 0.001 0.000 2.176 556 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 556 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 556 G C -0.027 174.873 174.900 -0.001 0.000 1.024 556 G CA -0.118 44.982 45.100 -0.000 0.000 0.755 556 G HN 0.696 nan 8.290 nan 0.000 0.507 557 Q N -0.626 119.174 119.800 -0.001 0.000 2.257 557 Q HA 0.522 4.862 4.340 -0.000 0.000 0.262 557 Q C 0.101 176.100 176.000 -0.003 0.000 0.997 557 Q CA -0.756 55.046 55.803 -0.002 0.000 0.873 557 Q CB 0.952 29.689 28.738 -0.001 0.000 1.312 557 Q HN 0.397 nan 8.270 nan 0.000 0.450 558 Q N 3.649 123.448 119.800 -0.003 0.000 2.288 558 Q HA 0.362 4.702 4.340 -0.000 0.000 0.258 558 Q C -0.986 175.012 176.000 -0.004 0.000 0.957 558 Q CA -0.076 55.725 55.803 -0.003 0.000 0.919 558 Q CB 0.565 29.301 28.738 -0.003 0.000 1.185 558 Q HN 0.651 nan 8.270 nan 0.000 0.408 559 M N 1.198 120.795 119.600 -0.005 0.000 2.593 559 M HA 0.579 5.059 4.480 -0.000 0.000 0.290 559 M C -1.345 174.951 176.300 -0.006 0.000 1.244 559 M CA -0.715 54.582 55.300 -0.005 0.000 0.857 559 M CB 2.471 35.068 32.600 -0.006 0.000 1.738 559 M HN 0.242 nan 8.290 nan 0.000 0.461 560 T N 2.604 117.154 114.554 -0.005 0.000 2.829 560 T HA 0.687 5.037 4.350 -0.000 0.000 0.282 560 T C -1.118 173.578 174.700 -0.007 0.000 0.990 560 T CA -0.498 61.599 62.100 -0.005 0.000 1.028 560 T CB 1.269 70.135 68.868 -0.004 0.000 0.951 560 T HN 0.540 nan 8.240 nan 0.000 0.460 561 L N 3.184 124.403 121.223 -0.007 0.000 2.333 561 L HA 0.482 4.822 4.340 -0.000 0.000 0.280 561 L C -0.064 176.802 176.870 -0.007 0.000 1.004 561 L CA -0.419 54.416 54.840 -0.009 0.000 0.820 561 L CB 1.442 43.494 42.059 -0.012 0.000 1.247 561 L HN 0.452 nan 8.230 nan 0.000 0.416 562 K N 5.216 125.612 120.400 -0.007 0.000 2.211 562 K HA 0.533 4.853 4.320 -0.000 0.000 0.275 562 K C -1.118 175.480 176.600 -0.005 0.000 1.024 562 K CA -0.421 55.864 56.287 -0.004 0.000 0.887 562 K CB 0.670 33.169 32.500 -0.003 0.000 1.084 562 K HN 0.571 nan 8.250 nan 0.000 0.463 563 I N 4.218 124.786 120.570 -0.002 0.000 2.354 563 I HA 0.160 4.330 4.170 -0.000 0.000 0.286 563 I C -0.542 175.577 176.117 0.003 0.000 1.007 563 I CA -0.526 60.773 61.300 -0.002 0.000 1.167 563 I CB 1.628 39.626 38.000 -0.003 0.000 1.320 563 I HN 0.518 nan 8.210 nan 0.000 0.458 564 E N 5.088 125.289 120.200 0.003 0.000 2.028 564 E HA 0.489 4.839 4.350 -0.000 0.000 0.266 564 E C 0.187 176.793 176.600 0.009 0.000 0.962 564 E CA -0.298 56.106 56.400 0.008 0.000 0.784 564 E CB 1.451 31.155 29.700 0.006 0.000 1.114 564 E HN 0.781 nan 8.360 nan 0.000 0.414 565 G N 2.040 110.849 108.800 0.014 0.000 3.211 565 G HA2 0.260 4.220 3.960 -0.000 0.000 0.262 565 G HA3 0.260 4.220 3.960 -0.000 0.000 0.262 565 G C -0.871 174.046 174.900 0.028 0.000 1.352 565 G CA -0.680 44.428 45.100 0.013 0.000 1.004 565 G HN 0.316 nan 8.290 nan 0.000 0.559 566 D N 0.003 120.420 120.400 0.027 0.000 2.210 566 D HA 0.234 4.874 4.640 -0.000 0.000 0.249 566 D C -0.346 175.992 176.300 0.063 0.000 1.062 566 D CA -0.179 53.851 54.000 0.050 0.000 0.891 566 D CB 1.762 42.585 40.800 0.038 0.000 1.186 566 D HN 0.386 nan 8.370 nan 0.000 0.432 567 H N 0.044 119.118 119.070 0.007 0.000 3.064 567 H HA 0.184 4.740 4.556 -0.000 0.000 0.329 567 H C 1.490 176.824 175.328 0.009 0.000 1.020 567 H CA 1.721 57.773 56.048 0.007 0.000 1.402 567 H CB 0.311 30.078 29.762 0.007 0.000 1.379 567 H HN 0.703 nan 8.280 nan 0.000 0.594 568 G N 2.391 110.821 108.800 -0.616 0.000 2.245 568 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 568 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 568 G C 0.585 175.380 174.900 -0.175 0.000 0.985 568 G CA 0.394 45.230 45.100 -0.439 0.000 0.625 568 G HN 1.067 nan 8.290 nan 0.000 0.536 569 A N 0.201 122.957 122.820 -0.106 0.000 2.483 569 A HA 0.598 4.918 4.320 -0.000 0.000 0.238 569 A C 0.762 178.323 177.584 -0.038 0.000 1.070 569 A CA 0.678 52.686 52.037 -0.047 0.000 0.770 569 A CB 0.254 19.241 19.000 -0.022 0.000 1.008 569 A HN 0.623 nan 8.150 nan 0.000 0.497 570 R N 1.421 121.912 120.500 -0.015 0.000 2.294 570 R HA 0.529 4.869 4.340 -0.000 0.000 0.319 570 R C -1.569 174.740 176.300 0.015 0.000 0.984 570 R CA -0.342 55.757 56.100 -0.001 0.000 0.861 570 R CB 1.097 31.404 30.300 0.011 0.000 1.104 570 R HN 0.497 nan 8.270 nan 0.000 0.451 571 V N 5.808 125.729 119.914 0.012 0.000 2.409 571 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 571 V C -0.163 175.950 176.094 0.032 0.000 1.020 571 V CA -0.803 61.508 62.300 0.018 0.000 0.848 571 V CB 1.613 33.437 31.823 0.003 0.000 0.990 571 V HN 0.576 nan 8.190 nan 0.000 0.430 572 V N 4.378 124.330 119.914 0.063 0.000 2.435 572 V HA 0.810 4.930 4.120 -0.000 0.000 0.290 572 V C -0.652 175.476 176.094 0.057 0.000 1.030 572 V CA -0.566 61.775 62.300 0.067 0.000 0.881 572 V CB 1.379 33.270 31.823 0.113 0.000 0.983 572 V HN 0.600 nan 8.190 nan 0.000 0.445 573 L N 4.779 126.020 121.223 0.031 0.000 2.323 573 L HA 0.918 5.258 4.340 -0.000 0.000 0.265 573 L C -0.286 176.594 176.870 0.017 0.000 1.012 573 L CA -0.670 54.180 54.840 0.017 0.000 0.820 573 L CB 2.107 44.167 42.059 0.001 0.000 1.334 573 L HN 0.685 nan 8.230 nan 0.000 0.427 574 V N 0.537 120.456 119.914 0.009 0.000 3.048 574 V HA 0.879 4.999 4.120 -0.000 0.000 0.303 574 V C -1.513 174.572 176.094 -0.016 0.000 1.214 574 V CA -0.347 61.957 62.300 0.007 0.000 0.984 574 V CB 2.268 34.110 31.823 0.031 0.000 1.054 574 V HN 0.816 nan 8.190 nan 0.000 0.430 575 A N 5.149 127.959 122.820 -0.017 0.000 2.311 575 A HA 0.846 5.166 4.320 -0.000 0.000 0.306 575 A C -0.709 176.859 177.584 -0.026 0.000 1.189 575 A CA -0.146 51.869 52.037 -0.036 0.000 0.791 575 A CB 1.241 20.222 19.000 -0.031 0.000 1.172 575 A HN 1.777 nan 8.150 nan 0.000 0.481 576 V N 0.003 119.891 119.914 -0.043 0.000 2.919 576 V HA 0.670 4.790 4.120 -0.000 0.000 0.316 576 V C -0.281 175.804 176.094 -0.015 0.000 1.077 576 V CA -0.996 61.296 62.300 -0.012 0.000 0.977 576 V CB 1.633 33.474 31.823 0.029 0.000 1.039 576 V HN 0.753 nan 8.190 nan 0.000 0.441 577 D N 1.613 122.019 120.400 0.010 0.000 2.425 577 D HA 0.142 4.782 4.640 -0.000 0.000 0.247 577 D C 1.065 177.399 176.300 0.058 0.000 1.147 577 D CA 0.143 54.154 54.000 0.019 0.000 0.879 577 D CB 1.231 42.039 40.800 0.014 0.000 1.179 577 D HN 0.713 nan 8.370 nan 0.000 0.456 578 K N 2.731 123.163 120.400 0.053 0.000 2.218 578 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 578 K C 1.684 178.359 176.600 0.125 0.000 1.046 578 K CA 1.219 57.572 56.287 0.111 0.000 0.933 578 K CB -0.294 32.249 32.500 0.072 0.000 0.728 578 K HN 0.656 nan 8.250 nan 0.000 0.454 579 G N 0.252 109.093 108.800 0.068 0.000 2.422 579 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 579 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 579 G C 1.417 176.334 174.900 0.027 0.000 1.140 579 G CA 1.003 46.126 45.100 0.038 0.000 0.775 579 G HN 0.263 nan 8.290 nan 0.000 0.545 580 V N -2.019 117.918 119.914 0.038 0.000 3.174 580 V HA 0.265 4.385 4.120 -0.000 0.000 0.254 580 V C 2.252 178.379 176.094 0.056 0.000 1.120 580 V CA 0.656 62.963 62.300 0.012 0.000 1.114 580 V CB -0.719 31.085 31.823 -0.032 0.000 0.756 580 V HN 0.232 nan 8.190 nan 0.000 0.467 581 F N 1.699 121.633 119.950 -0.027 0.000 2.146 581 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 581 F C 1.973 177.771 175.800 -0.003 0.000 1.096 581 F CA 1.616 59.609 58.000 -0.011 0.000 1.275 581 F CB 0.243 39.239 39.000 -0.006 0.000 1.008 581 F HN -0.010 nan 8.300 nan 0.000 0.480 582 V N 0.615 120.528 119.914 -0.001 0.000 3.573 582 V HA -0.112 4.008 4.120 -0.000 0.000 0.270 582 V C 1.325 177.365 176.094 -0.090 0.000 1.221 582 V CA 0.649 62.901 62.300 -0.079 0.000 1.163 582 V CB -0.112 31.730 31.823 0.032 0.000 0.847 582 V HN 0.293 nan 8.190 nan 0.000 0.468 583 L N -0.048 121.127 121.223 -0.080 0.000 2.653 583 L HA 0.287 4.627 4.340 -0.000 0.000 0.231 583 L C 1.440 178.266 176.870 -0.073 0.000 1.153 583 L CA 0.732 55.536 54.840 -0.061 0.000 0.933 583 L CB -0.864 41.169 42.059 -0.042 0.000 1.175 583 L HN 0.284 nan 8.230 nan 0.000 0.473 584 N N 0.042 118.668 118.700 -0.123 0.000 2.006 584 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 584 N C 0.768 176.247 175.510 -0.051 0.000 1.070 584 N CA 1.829 54.818 53.050 -0.103 0.000 0.859 584 N CB 0.114 38.495 38.487 -0.177 0.000 1.060 584 N HN 0.176 nan 8.380 nan 0.000 0.424 585 K N -0.660 119.709 120.400 -0.052 0.000 2.514 585 K HA 0.208 4.528 4.320 -0.000 0.000 0.207 585 K C 0.349 176.915 176.600 -0.057 0.000 1.035 585 K CA -0.057 56.176 56.287 -0.089 0.000 1.113 585 K CB 0.902 33.355 32.500 -0.078 0.000 0.846 585 K HN 0.134 nan 8.250 nan 0.000 0.491 586 K N -0.458 119.928 120.400 -0.023 0.000 2.436 586 K HA 0.144 4.464 4.320 -0.000 0.000 0.198 586 K C 0.697 177.312 176.600 0.026 0.000 1.174 586 K CA 0.057 56.349 56.287 0.008 0.000 0.951 586 K CB 0.507 33.020 32.500 0.023 0.000 1.040 586 K HN -0.085 nan 8.250 nan 0.000 0.536 587 N N 1.836 120.554 118.700 0.029 0.000 2.362 587 N HA 0.040 4.780 4.740 -0.000 0.000 0.204 587 N C -0.765 174.776 175.510 0.052 0.000 1.166 587 N CA 0.311 53.397 53.050 0.061 0.000 0.831 587 N CB 0.186 38.725 38.487 0.088 0.000 1.008 587 N HN 0.039 nan 8.380 nan 0.000 0.472 588 K N 0.586 120.990 120.400 0.008 0.000 2.447 588 K HA -0.008 4.312 4.320 -0.000 0.000 0.281 588 K C -0.090 176.535 176.600 0.041 0.000 1.031 588 K CA -0.122 56.163 56.287 -0.003 0.000 1.019 588 K CB 0.555 33.016 32.500 -0.065 0.000 0.918 588 K HN 0.007 nan 8.250 nan 0.000 0.476 589 L N 4.992 126.253 121.223 0.063 0.000 2.384 589 L HA 0.064 4.404 4.340 -0.000 0.000 0.258 589 L C -0.376 176.483 176.870 -0.019 0.000 1.266 589 L CA 0.457 55.315 54.840 0.030 0.000 1.162 589 L CB -0.249 41.837 42.059 0.046 0.000 1.375 589 L HN 0.575 nan 8.230 nan 0.000 0.420 590 T N 0.392 114.934 114.554 -0.021 0.000 2.847 590 T HA 0.100 4.450 4.350 -0.000 0.000 0.279 590 T C 0.837 175.469 174.700 -0.113 0.000 0.984 590 T CA -0.458 61.625 62.100 -0.028 0.000 0.988 590 T CB 1.445 70.324 68.868 0.018 0.000 1.040 590 T HN 0.369 nan 8.240 nan 0.000 0.528 591 Q N 1.090 120.837 119.800 -0.089 0.000 2.123 591 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 591 Q C 2.467 178.442 176.000 -0.042 0.000 0.966 591 Q CA 1.977 57.695 55.803 -0.142 0.000 0.845 591 Q CB -0.700 28.029 28.738 -0.015 0.000 0.907 591 Q HN 0.786 nan 8.270 nan 0.000 0.439 592 S N -0.379 115.383 115.700 0.103 0.000 2.382 592 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 592 S C 1.919 176.599 174.600 0.133 0.000 1.027 592 S CA 1.354 59.670 58.200 0.195 0.000 0.991 592 S CB -0.338 62.950 63.200 0.147 0.000 0.823 592 S HN 0.362 nan 8.310 nan 0.000 0.469 593 K N 0.529 120.957 120.400 0.046 0.000 2.288 593 K HA 0.220 4.540 4.320 -0.000 0.000 0.201 593 K C 1.847 178.458 176.600 0.020 0.000 1.048 593 K CA 0.768 57.086 56.287 0.052 0.000 0.956 593 K CB -0.203 32.325 32.500 0.047 0.000 0.746 593 K HN 0.471 nan 8.250 nan 0.000 0.461 594 I N -0.778 119.692 120.570 -0.167 0.000 2.333 594 I HA -0.215 3.955 4.170 -0.000 0.000 0.246 594 I C 1.466 177.432 176.117 -0.252 0.000 1.106 594 I CA 1.064 62.147 61.300 -0.362 0.000 1.411 594 I CB -0.106 37.350 38.000 -0.907 0.000 1.082 594 I HN 0.288 nan 8.210 nan 0.000 0.420 595 W N 0.956 122.240 121.300 -0.028 0.000 2.467 595 W HA -0.147 4.513 4.660 0.000 0.000 0.275 595 W C 2.103 178.652 176.519 0.049 0.000 1.239 595 W CA 0.107 57.454 57.345 0.003 0.000 1.266 595 W CB -0.323 29.148 29.460 0.017 0.000 1.112 595 W HN 0.069 nan 8.180 nan 0.000 0.576 596 D N 0.102 120.656 120.400 0.256 0.000 2.182 596 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 596 D C 2.155 178.564 176.300 0.182 0.000 0.986 596 D CA 1.280 55.398 54.000 0.197 0.000 0.847 596 D CB -0.366 40.528 40.800 0.156 0.000 0.942 596 D HN 0.016 nan 8.370 nan 0.000 0.467 597 V N 0.170 120.190 119.914 0.176 0.000 2.719 597 V HA -0.116 4.004 4.120 -0.000 0.000 0.252 597 V C 2.395 178.613 176.094 0.206 0.000 1.065 597 V CA 0.684 63.100 62.300 0.193 0.000 1.086 597 V CB -0.009 31.935 31.823 0.201 0.000 0.700 597 V HN 0.059 nan 8.190 nan 0.000 0.467 598 V N -0.648 119.348 119.914 0.136 0.000 2.788 598 V HA -0.061 4.059 4.120 -0.000 0.000 0.251 598 V C 2.443 178.702 176.094 0.274 0.000 1.068 598 V CA 1.172 63.592 62.300 0.201 0.000 1.090 598 V CB -0.419 31.529 31.823 0.210 0.000 0.710 598 V HN 0.503 nan 8.190 nan 0.000 0.467 599 E N 0.795 121.141 120.200 0.243 0.000 2.107 599 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 599 E C 2.002 178.696 176.600 0.156 0.000 0.982 599 E CA 0.820 57.341 56.400 0.202 0.000 0.809 599 E CB -0.092 29.720 29.700 0.186 0.000 0.756 599 E HN 0.562 nan 8.360 nan 0.000 0.459 600 K N 0.239 120.735 120.400 0.160 0.000 2.525 600 K HA 0.084 4.404 4.320 -0.000 0.000 0.192 600 K C 1.527 178.215 176.600 0.147 0.000 1.029 600 K CA 0.490 56.854 56.287 0.130 0.000 1.029 600 K CB 0.321 32.897 32.500 0.126 0.000 0.814 600 K HN -0.019 nan 8.250 nan 0.000 0.503 601 A N 0.841 123.780 122.820 0.199 0.000 2.197 601 A HA -0.004 4.316 4.320 -0.000 0.000 0.210 601 A C 0.427 178.100 177.584 0.148 0.000 1.180 601 A CA -0.135 52.018 52.037 0.194 0.000 0.846 601 A CB 0.133 19.317 19.000 0.308 0.000 0.884 601 A HN 0.194 nan 8.150 nan 0.000 0.487 602 D N 0.580 121.073 120.400 0.156 0.000 2.378 602 D HA 0.306 4.946 4.640 -0.000 0.000 0.238 602 D C 0.068 176.420 176.300 0.088 0.000 1.180 602 D CA 0.380 54.460 54.000 0.132 0.000 0.895 602 D CB 0.341 41.232 40.800 0.151 0.000 1.192 602 D HN 0.446 nan 8.370 nan 0.000 0.438 603 I N -0.676 119.941 120.570 0.080 0.000 2.608 603 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 603 I C 0.576 176.736 176.117 0.072 0.000 1.049 603 I CA -0.940 60.397 61.300 0.061 0.000 1.063 603 I CB 2.128 40.157 38.000 0.048 0.000 1.248 603 I HN 0.344 nan 8.210 nan 0.000 0.424 604 G N 2.719 111.555 108.800 0.059 0.000 3.374 604 G HA2 0.300 4.260 3.960 -0.000 0.000 0.200 604 G HA3 0.300 4.260 3.960 -0.000 0.000 0.200 604 G C 0.422 175.334 174.900 0.020 0.000 1.801 604 G CA 0.320 45.445 45.100 0.041 0.000 0.842 604 G HN 0.774 nan 8.290 nan 0.000 0.688 605 c N -0.650 117.960 118.600 0.016 0.000 2.463 605 c HA 0.341 4.911 4.570 -0.000 0.000 0.322 605 c C 1.232 175.310 174.090 -0.019 0.000 1.556 605 c CA 0.288 56.616 56.329 -0.001 0.000 2.225 605 c CB -0.474 42.048 42.510 0.020 0.000 1.995 605 c HN 0.433 nan 8.230 nan 0.000 0.678 606 T N 3.872 118.439 114.554 0.020 0.000 2.902 606 T HA 0.116 4.466 4.350 -0.000 0.000 0.301 606 T C -2.018 172.681 174.700 -0.002 0.000 1.012 606 T CA 0.172 62.298 62.100 0.044 0.000 1.151 606 T CB 0.269 69.208 68.868 0.119 0.000 0.946 606 T HN 0.313 nan 8.240 nan 0.000 0.542 607 P HA 0.248 nan 4.420 nan 0.000 0.263 607 P C 0.393 177.721 177.300 0.047 0.000 1.386 607 P CA 0.310 63.350 63.100 -0.099 0.000 0.797 607 P CB -0.316 31.297 31.700 -0.144 0.000 1.381 608 G N -2.341 106.510 108.800 0.085 0.000 2.316 608 G HA2 0.309 4.269 3.960 -0.000 0.000 0.468 608 G HA3 0.309 4.269 3.960 -0.000 0.000 0.468 608 G C -0.568 174.425 174.900 0.155 0.000 1.523 608 G CA -0.205 44.961 45.100 0.109 0.000 0.972 608 G HN 0.149 nan 8.290 nan 0.000 0.667 609 S N -1.634 114.137 115.700 0.118 0.000 3.697 609 S HA 0.427 4.897 4.470 -0.000 0.000 0.638 609 S C 0.848 175.481 174.600 0.055 0.000 2.176 609 S CA 1.599 59.887 58.200 0.146 0.000 2.349 609 S CB -0.956 62.417 63.200 0.288 0.000 0.329 609 S HN 2.924 nan 8.310 nan 0.000 1.794 610 G N -0.164 108.591 108.800 -0.075 0.000 2.663 610 G HA2 0.558 4.518 3.960 -0.000 0.000 0.299 610 G HA3 0.558 4.518 3.960 -0.000 0.000 0.299 610 G C -0.344 173.976 174.900 -0.966 0.000 1.372 610 G CA 0.097 44.930 45.100 -0.444 0.000 0.781 610 G HN 0.699 nan 8.290 nan 0.000 0.491 611 K N -0.246 119.576 120.400 -0.963 0.000 2.217 611 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 611 K C 0.837 177.141 176.600 -0.493 0.000 1.051 611 K CA 1.765 57.606 56.287 -0.743 0.000 0.952 611 K CB 0.073 32.359 32.500 -0.357 0.000 0.736 611 K HN 0.656 nan 8.250 nan 0.000 0.453 612 D N -1.696 118.401 120.400 -0.504 0.000 3.225 612 D HA -0.030 4.610 4.640 -0.000 0.000 0.294 612 D C 0.982 176.967 176.300 -0.525 0.000 1.306 612 D CA -0.582 53.089 54.000 -0.549 0.000 1.019 612 D CB -0.279 40.368 40.800 -0.254 0.000 1.344 612 D HN 0.073 nan 8.370 nan 0.000 0.615 613 Y N -0.607 119.485 120.300 -0.347 0.000 2.365 613 Y HA 0.490 5.040 4.550 -0.000 0.000 0.293 613 Y C 1.861 177.776 175.900 0.025 0.000 1.119 613 Y CA 1.204 59.240 58.100 -0.106 0.000 1.203 613 Y CB -0.134 38.276 38.460 -0.084 0.000 1.026 613 Y HN 0.341 nan 8.280 nan 0.000 0.549 614 A N 0.493 122.737 122.820 -0.961 0.000 2.343 614 A HA 0.384 4.704 4.320 -0.000 0.000 0.223 614 A C 2.065 179.506 177.584 -0.237 0.000 1.214 614 A CA 0.362 52.017 52.037 -0.637 0.000 0.900 614 A CB -0.852 17.506 19.000 -1.071 0.000 0.942 614 A HN 0.546 nan 8.150 nan 0.000 0.507 615 G N -0.280 108.360 108.800 -0.267 0.000 2.534 615 G HA2 0.036 3.996 3.960 -0.000 0.000 0.217 615 G HA3 0.036 3.996 3.960 -0.000 0.000 0.217 615 G C 1.246 176.066 174.900 -0.133 0.000 1.128 615 G CA 1.239 46.228 45.100 -0.184 0.000 0.784 615 G HN 0.246 nan 8.290 nan 0.000 0.542 616 V N 0.181 120.020 119.914 -0.125 0.000 2.379 616 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 616 V C 2.386 178.397 176.094 -0.138 0.000 1.044 616 V CA 1.301 63.515 62.300 -0.143 0.000 1.036 616 V CB -0.611 31.086 31.823 -0.209 0.000 0.664 616 V HN 0.342 nan 8.190 nan 0.000 0.453 617 F N 0.630 120.538 119.950 -0.071 0.000 2.146 617 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 617 F C 2.689 178.489 175.800 -0.001 0.000 1.096 617 F CA 1.753 59.741 58.000 -0.020 0.000 1.275 617 F CB -0.620 38.364 39.000 -0.026 0.000 1.008 617 F HN 0.023 nan 8.300 nan 0.000 0.480 618 S N -0.561 115.230 115.700 0.151 0.000 2.383 618 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 618 S C 1.280 175.916 174.600 0.059 0.000 1.026 618 S CA 1.316 59.568 58.200 0.086 0.000 0.981 618 S CB -0.318 62.906 63.200 0.040 0.000 0.818 618 S HN 0.289 nan 8.310 nan 0.000 0.472 619 D N 0.967 121.387 120.400 0.034 0.000 2.363 619 D HA 0.221 4.861 4.640 -0.000 0.000 0.226 619 D C 1.180 177.504 176.300 0.040 0.000 1.020 619 D CA 0.363 54.382 54.000 0.030 0.000 0.892 619 D CB 0.051 40.862 40.800 0.017 0.000 0.900 619 D HN 0.403 nan 8.370 nan 0.000 0.531 620 A N -0.838 122.014 122.820 0.052 0.000 2.456 620 A HA 0.541 4.861 4.320 -0.000 0.000 0.237 620 A C 1.356 178.997 177.584 0.096 0.000 1.217 620 A CA 0.418 52.497 52.037 0.069 0.000 0.962 620 A CB 0.407 19.436 19.000 0.049 0.000 1.079 620 A HN 0.110 nan 8.150 nan 0.000 0.536 621 G N -0.244 108.615 108.800 0.097 0.000 2.356 621 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.233 621 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.233 621 G C -0.456 174.518 174.900 0.125 0.000 1.105 621 G CA 0.216 45.375 45.100 0.098 0.000 0.861 621 G HN 0.574 nan 8.290 nan 0.000 0.493 622 L N -0.366 120.956 121.223 0.165 0.000 2.424 622 L HA 0.803 5.143 4.340 -0.000 0.000 0.258 622 L C 0.062 177.044 176.870 0.187 0.000 0.995 622 L CA -0.786 54.180 54.840 0.210 0.000 0.821 622 L CB 2.677 44.947 42.059 0.353 0.000 1.383 622 L HN 0.305 nan 8.230 nan 0.000 0.410 623 T N -1.033 113.591 114.554 0.118 0.000 2.912 623 T HA 0.434 4.784 4.350 -0.000 0.000 0.326 623 T C -0.752 173.920 174.700 -0.046 0.000 1.080 623 T CA -0.319 61.805 62.100 0.040 0.000 1.000 623 T CB 0.553 69.433 68.868 0.021 0.000 1.008 623 T HN 0.231 nan 8.240 nan 0.000 0.473 624 F N 3.130 122.855 119.950 -0.375 0.000 2.427 624 F HA 0.533 5.060 4.527 -0.000 0.000 0.352 624 F C 0.060 175.680 175.800 -0.301 0.000 1.100 624 F CA 0.188 57.856 58.000 -0.553 0.000 1.191 624 F CB 0.911 39.141 39.000 -1.283 0.000 1.128 624 F HN 0.569 nan 8.300 nan 0.000 0.533 625 T N 4.201 118.380 114.554 -0.625 0.000 2.928 625 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 625 T C -0.709 173.730 174.700 -0.434 0.000 1.000 625 T CA -0.885 61.008 62.100 -0.345 0.000 0.989 625 T CB 1.278 70.039 68.868 -0.178 0.000 1.005 625 T HN 0.615 nan 8.240 nan 0.000 0.442 626 S N 1.140 116.726 115.700 -0.190 0.000 2.687 626 S HA 0.459 4.929 4.470 -0.000 0.000 0.283 626 S C 1.477 176.074 174.600 -0.005 0.000 1.170 626 S CA -0.250 57.896 58.200 -0.090 0.000 1.008 626 S CB 1.350 64.588 63.200 0.063 0.000 1.026 626 S HN 0.709 nan 8.310 nan 0.000 0.541 627 S N 1.213 116.944 115.700 0.051 0.000 2.515 627 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 627 S C 1.198 175.845 174.600 0.077 0.000 0.987 627 S CA 0.475 58.741 58.200 0.110 0.000 0.936 627 S CB -0.647 62.711 63.200 0.263 0.000 0.766 627 S HN 0.572 nan 8.310 nan 0.000 0.528 628 S N 1.532 117.262 115.700 0.050 0.000 2.371 628 S HA 0.529 4.999 4.470 -0.000 0.000 0.159 628 S C 1.273 175.890 174.600 0.028 0.000 1.281 628 S CA 0.200 58.419 58.200 0.032 0.000 2.161 628 S CB -0.713 62.496 63.200 0.015 0.000 0.406 628 S HN 0.637 nan 8.310 nan 0.000 0.374 629 G N 0.649 109.463 108.800 0.024 0.000 4.683 629 G HA2 0.479 4.439 3.960 -0.000 0.000 0.273 629 G HA3 0.479 4.439 3.960 -0.000 0.000 0.273 629 G C -1.048 173.882 174.900 0.050 0.000 1.065 629 G CA -0.284 44.832 45.100 0.027 0.000 0.837 629 G HN 0.260 nan 8.290 nan 0.000 0.526 630 Q N 0.930 120.781 119.800 0.085 0.000 2.347 630 Q HA 0.497 4.837 4.340 -0.000 0.000 0.265 630 Q C -0.178 175.957 176.000 0.225 0.000 1.024 630 Q CA -0.437 55.478 55.803 0.187 0.000 0.731 630 Q CB 1.763 30.602 28.738 0.169 0.000 1.245 630 Q HN 0.690 nan 8.270 nan 0.000 0.472 631 Q N -0.418 119.488 119.800 0.176 0.000 2.615 631 Q HA 0.777 5.117 4.340 -0.000 0.000 0.298 631 Q C -0.713 175.286 176.000 -0.001 0.000 1.023 631 Q CA -1.156 54.692 55.803 0.075 0.000 0.768 631 Q CB 1.183 29.925 28.738 0.008 0.000 1.500 631 Q HN 0.426 nan 8.270 nan 0.000 0.441 632 T N -1.660 112.867 114.554 -0.045 0.000 2.874 632 T HA 0.728 5.078 4.350 -0.000 0.000 0.281 632 T C 0.414 175.089 174.700 -0.043 0.000 0.994 632 T CA -0.344 61.714 62.100 -0.071 0.000 1.015 632 T CB 1.043 69.887 68.868 -0.040 0.000 1.028 632 T HN 0.771 nan 8.240 nan 0.000 0.523 633 A N 0.945 123.740 122.820 -0.041 0.000 2.366 633 A HA 0.317 4.637 4.320 -0.000 0.000 0.249 633 A C 0.498 178.076 177.584 -0.011 0.000 1.084 633 A CA -0.612 51.410 52.037 -0.025 0.000 0.794 633 A CB -0.063 18.924 19.000 -0.022 0.000 1.034 633 A HN 0.894 nan 8.150 nan 0.000 0.491 634 Q N 0.544 120.335 119.800 -0.015 0.000 2.293 634 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 634 Q C -0.121 175.909 176.000 0.050 0.000 1.002 634 Q CA -0.142 55.662 55.803 0.001 0.000 0.910 634 Q CB 0.368 29.072 28.738 -0.056 0.000 1.185 634 Q HN 0.632 nan 8.270 nan 0.000 0.401 635 R N 3.227 123.783 120.500 0.093 0.000 2.205 635 R HA 0.279 4.619 4.340 -0.000 0.000 0.342 635 R C -0.057 176.373 176.300 0.218 0.000 1.058 635 R CA 0.248 56.417 56.100 0.115 0.000 0.904 635 R CB 0.410 30.761 30.300 0.085 0.000 1.089 635 R HN 0.745 nan 8.270 nan 0.000 0.471 636 A N 3.691 126.644 122.820 0.222 0.000 2.267 636 A HA 0.062 4.382 4.320 -0.000 0.000 0.213 636 A C 0.373 178.065 177.584 0.179 0.000 1.192 636 A CA 0.079 52.331 52.037 0.357 0.000 0.851 636 A CB 0.210 19.405 19.000 0.324 0.000 0.881 636 A HN 0.638 nan 8.150 nan 0.000 0.494 637 E N -0.711 119.551 120.200 0.104 0.000 2.214 637 E HA 0.589 4.939 4.350 -0.000 0.000 0.274 637 E C 0.522 177.138 176.600 0.027 0.000 0.977 637 E CA -0.373 56.061 56.400 0.057 0.000 0.827 637 E CB 1.099 30.830 29.700 0.051 0.000 1.130 637 E HN 0.183 nan 8.360 nan 0.000 0.394 638 L N 1.653 122.881 121.223 0.008 0.000 2.253 638 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 638 L C 1.029 177.903 176.870 0.008 0.000 1.078 638 L CA 0.407 55.243 54.840 -0.006 0.000 0.805 638 L CB -0.052 41.994 42.059 -0.022 0.000 0.963 638 L HN 0.481 nan 8.230 nan 0.000 0.459 639 Q N -1.731 118.077 119.800 0.014 0.000 2.514 639 Q HA 0.359 4.699 4.340 -0.000 0.000 0.169 639 Q C -0.668 175.346 176.000 0.024 0.000 1.027 639 Q CA -0.214 55.600 55.803 0.019 0.000 0.988 639 Q CB 1.283 30.031 28.738 0.017 0.000 2.123 639 Q HN 0.112 nan 8.270 nan 0.000 0.480 640 c N 0.332 118.947 118.600 0.024 0.000 2.822 640 c HA 0.672 5.241 4.570 -0.000 0.000 0.341 640 c C -2.060 172.045 174.090 0.026 0.000 1.301 640 c CA -1.173 55.171 56.329 0.026 0.000 1.706 640 c CB 0.703 43.227 42.510 0.023 0.000 2.178 640 c HN 0.704 nan 8.230 nan 0.000 0.481 641 P HA 0.099 nan 4.420 nan 0.000 0.266 641 P C -0.767 176.549 177.300 0.026 0.000 1.193 641 P CA 0.288 63.405 63.100 0.029 0.000 0.770 641 P CB 0.248 31.969 31.700 0.034 0.000 0.836 642 Q N 2.520 122.335 119.800 0.025 0.000 2.286 642 Q HA 0.100 4.440 4.340 -0.000 0.000 0.290 642 Q C -1.489 174.527 176.000 0.026 0.000 1.049 642 Q CA -0.999 54.818 55.803 0.024 0.000 0.923 642 Q CB -0.356 28.396 28.738 0.022 0.000 1.183 642 Q HN 0.418 nan 8.270 nan 0.000 0.383 643 P HA 0.000 nan 4.420 nan 0.000 0.216 643 P CA 0.000 63.118 63.100 0.030 0.000 0.800 643 P CB 0.000 31.718 31.700 0.029 0.000 0.726