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 3h1c_1_T DATA FIRST_RESID 2 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGSFFRRE GRPSEGETLI ARLIDRPIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAQLLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVNEA LNARVAALAE DATA SEQUENCE ARLSDAYRIT DKQERYAQVD VIKSETIATL LAEDETLDEN ELGEILHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTARD AQVLDELMGE RTDTFLFHYN FPPYSVGETG MVGSPKRREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGDEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI NAP 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.878 176.870 0.014 0.000 1.165 2 L CA 0.000 54.848 54.840 0.013 0.000 0.813 2 L CB 0.000 42.066 42.059 0.011 0.000 0.961 3 N N 4.915 123.625 118.700 0.017 0.000 2.336 3 N HA 0.709 5.449 4.740 0.001 0.000 0.290 3 N C -2.834 172.689 175.510 0.022 0.000 1.058 3 N CA -0.866 52.195 53.050 0.017 0.000 0.865 3 N CB 2.764 41.260 38.487 0.015 0.000 1.581 3 N HN 0.352 nan 8.380 nan 0.000 0.480 4 P HA 0.506 nan 4.420 nan 0.000 0.282 4 P C -0.515 176.801 177.300 0.028 0.000 1.259 4 P CA -0.417 62.701 63.100 0.030 0.000 0.826 4 P CB 1.259 32.978 31.700 0.032 0.000 1.064 5 I N 0.918 121.506 120.570 0.030 0.000 2.362 5 I HA 0.357 4.528 4.170 0.001 0.000 0.289 5 I C -0.520 175.617 176.117 0.033 0.000 0.994 5 I CA -0.872 60.444 61.300 0.027 0.000 1.158 5 I CB 1.740 39.753 38.000 0.023 0.000 1.315 5 I HN -0.061 nan 8.210 nan 0.000 0.451 6 V N 6.792 126.726 119.914 0.033 0.000 2.487 6 V HA 0.534 4.655 4.120 0.001 0.000 0.298 6 V C -0.093 176.029 176.094 0.047 0.000 1.028 6 V CA -0.642 61.682 62.300 0.040 0.000 0.860 6 V CB 1.981 33.826 31.823 0.036 0.000 0.991 6 V HN 0.654 nan 8.190 nan 0.000 0.427 7 R N 3.394 123.933 120.500 0.065 0.000 2.561 7 R HA 0.629 4.970 4.340 0.001 0.000 0.297 7 R C -1.077 175.305 176.300 0.138 0.000 0.969 7 R CA -0.814 55.342 56.100 0.092 0.000 0.879 7 R CB 2.543 32.895 30.300 0.088 0.000 1.178 7 R HN 0.639 nan 8.270 nan 0.000 0.445 8 K N 3.528 124.012 120.400 0.140 0.000 2.324 8 K HA 0.481 4.802 4.320 0.001 0.000 0.253 8 K C -1.129 175.602 176.600 0.218 0.000 0.932 8 K CA -0.626 55.732 56.287 0.120 0.000 0.799 8 K CB 1.692 34.221 32.500 0.048 0.000 1.154 8 K HN 0.377 nan 8.250 nan 0.000 0.425 9 F N -1.327 118.636 119.950 0.022 0.000 2.645 9 F HA 0.401 4.930 4.527 0.003 0.000 0.310 9 F C -1.096 174.740 175.800 0.060 0.000 1.102 9 F CA -1.287 56.730 58.000 0.027 0.000 0.952 9 F CB 1.132 40.135 39.000 0.006 0.000 1.326 9 F HN 0.140 nan 8.300 nan 0.000 0.456 10 Q N 1.886 121.789 119.800 0.172 0.000 2.261 10 Q HA 0.251 4.591 4.340 0.001 0.000 0.252 10 Q C -1.784 174.370 176.000 0.257 0.000 0.915 10 Q CA -0.174 55.691 55.803 0.103 0.000 0.915 10 Q CB 1.734 30.533 28.738 0.102 0.000 1.204 10 Q HN 0.810 nan 8.270 nan 0.000 0.421 11 Y N 1.245 121.535 120.300 -0.017 0.000 2.344 11 Y HA 0.402 4.952 4.550 0.000 0.000 0.328 11 Y C 0.566 176.500 175.900 0.056 0.000 1.067 11 Y CA 0.352 58.488 58.100 0.060 0.000 1.247 11 Y CB 0.462 38.957 38.460 0.059 0.000 1.113 11 Y HN 0.829 nan 8.280 nan 0.000 0.465 12 G N 4.036 112.732 108.800 -0.174 0.000 2.720 12 G HA2 -0.276 3.685 3.960 0.001 0.000 0.293 12 G HA3 -0.276 3.685 3.960 0.001 0.000 0.293 12 G C 0.395 175.214 174.900 -0.135 0.000 1.256 12 G CA 0.644 45.622 45.100 -0.203 0.000 0.974 12 G HN 0.489 nan 8.290 nan 0.000 0.551 13 Q N 1.685 121.352 119.800 -0.221 0.000 2.135 13 Q HA 0.251 4.592 4.340 0.001 0.000 0.222 13 Q C 0.033 175.716 176.000 -0.528 0.000 0.808 13 Q CA 0.205 55.801 55.803 -0.345 0.000 1.049 13 Q CB 0.748 29.254 28.738 -0.387 0.000 1.168 13 Q HN 0.791 nan 8.270 nan 0.000 0.483 14 H N 0.157 119.194 119.070 -0.055 0.000 2.797 14 H HA 0.394 4.950 4.556 -0.000 0.000 0.372 14 H C -0.056 175.233 175.328 -0.066 0.000 1.168 14 H CA -0.426 55.594 56.048 -0.047 0.000 1.163 14 H CB 1.891 31.630 29.762 -0.038 0.000 1.778 14 H HN -0.058 nan 8.280 nan 0.000 0.551 15 T N -0.666 113.916 114.554 0.046 0.000 2.767 15 T HA 0.473 4.823 4.350 0.001 0.000 0.284 15 T C -0.001 174.613 174.700 -0.144 0.000 0.973 15 T CA -0.799 61.256 62.100 -0.075 0.000 0.996 15 T CB 0.645 69.485 68.868 -0.047 0.000 0.927 15 T HN 0.200 nan 8.240 nan 0.000 0.456 16 V N 3.985 123.671 119.914 -0.380 0.000 2.370 16 V HA 0.481 4.602 4.120 0.001 0.000 0.283 16 V C 0.304 176.228 176.094 -0.284 0.000 1.023 16 V CA -0.658 61.400 62.300 -0.403 0.000 0.857 16 V CB 1.284 32.688 31.823 -0.697 0.000 0.985 16 V HN 1.102 nan 8.190 nan 0.000 0.443 17 T N 6.632 121.127 114.554 -0.097 0.000 2.779 17 T HA 0.719 5.070 4.350 0.001 0.000 0.280 17 T C -0.565 174.155 174.700 0.033 0.000 0.987 17 T CA -0.348 61.745 62.100 -0.013 0.000 0.966 17 T CB 1.217 70.084 68.868 -0.000 0.000 0.933 17 T HN 0.266 nan 8.240 nan 0.000 0.442 18 L N 2.870 124.134 121.223 0.069 0.000 2.341 18 L HA 0.591 4.931 4.340 0.001 0.000 0.278 18 L C 0.140 177.046 176.870 0.060 0.000 1.005 18 L CA -0.425 54.458 54.840 0.070 0.000 0.818 18 L CB 1.764 43.876 42.059 0.089 0.000 1.259 18 L HN 0.629 nan 8.230 nan 0.000 0.418 19 E N 1.364 121.600 120.200 0.060 0.000 2.224 19 E HA 0.632 4.982 4.350 0.001 0.000 0.265 19 E C -1.420 175.217 176.600 0.061 0.000 0.878 19 E CA -0.359 56.079 56.400 0.062 0.000 0.759 19 E CB 1.906 31.651 29.700 0.075 0.000 1.164 19 E HN 0.559 nan 8.360 nan 0.000 0.414 20 T N 1.681 116.264 114.554 0.048 0.000 2.883 20 T HA 0.579 4.930 4.350 0.001 0.000 0.301 20 T C 0.187 174.913 174.700 0.043 0.000 1.158 20 T CA 0.446 62.570 62.100 0.040 0.000 1.007 20 T CB 1.291 70.166 68.868 0.012 0.000 1.186 20 T HN 0.822 nan 8.240 nan 0.000 0.499 21 G N 1.912 110.739 108.800 0.045 0.000 2.160 21 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 21 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 21 G C 0.143 175.072 174.900 0.048 0.000 1.022 21 G CA 0.990 46.116 45.100 0.043 0.000 0.741 21 G HN 0.879 nan 8.290 nan 0.000 0.508 22 M N -1.200 118.439 119.600 0.066 0.000 2.199 22 M HA 0.604 5.084 4.480 0.001 0.000 0.191 22 M C 0.976 177.321 176.300 0.075 0.000 1.744 22 M CA 0.641 55.977 55.300 0.060 0.000 1.005 22 M CB 0.315 32.949 32.600 0.056 0.000 1.478 22 M HN 0.117 nan 8.290 nan 0.000 0.585 23 M N 1.770 121.443 119.600 0.121 0.000 2.249 23 M HA 0.517 4.998 4.480 0.001 0.000 0.351 23 M C 0.394 176.827 176.300 0.221 0.000 1.180 23 M CA -0.052 55.338 55.300 0.151 0.000 1.127 23 M CB 0.954 33.657 32.600 0.172 0.000 1.546 23 M HN 0.499 nan 8.290 nan 0.000 0.461 24 A N 2.319 125.250 122.820 0.184 0.000 2.136 24 A HA -0.200 4.121 4.320 0.001 0.000 0.274 24 A C 0.881 178.533 177.584 0.113 0.000 1.388 24 A CA 0.732 52.872 52.037 0.172 0.000 0.741 24 A CB -1.119 18.046 19.000 0.274 0.000 1.173 24 A HN 1.018 nan 8.150 nan 0.000 0.329 25 R N -0.154 120.395 120.500 0.081 0.000 2.161 25 R HA -0.064 4.277 4.340 0.001 0.000 0.213 25 R C 2.064 178.399 176.300 0.057 0.000 1.055 25 R CA 1.457 57.594 56.100 0.062 0.000 0.996 25 R CB -0.042 30.288 30.300 0.049 0.000 0.901 25 R HN 0.877 nan 8.270 nan 0.000 0.456 26 Q N 0.535 120.369 119.800 0.057 0.000 2.230 26 Q HA 0.055 4.396 4.340 0.001 0.000 0.202 26 Q C 0.526 176.562 176.000 0.061 0.000 0.963 26 Q CA 0.604 56.439 55.803 0.053 0.000 0.866 26 Q CB 0.152 28.918 28.738 0.047 0.000 0.931 26 Q HN 0.211 nan 8.270 nan 0.000 0.452 27 A N 0.390 123.249 122.820 0.065 0.000 2.366 27 A HA 0.124 4.445 4.320 0.001 0.000 0.249 27 A C 1.091 178.713 177.584 0.064 0.000 1.084 27 A CA -0.185 51.890 52.037 0.063 0.000 0.794 27 A CB 0.472 19.505 19.000 0.055 0.000 1.034 27 A HN 0.190 nan 8.150 nan 0.000 0.491 28 T N 0.620 115.218 114.554 0.073 0.000 2.821 28 T HA 0.269 4.620 4.350 0.001 0.000 0.267 28 T C 0.752 175.480 174.700 0.046 0.000 1.046 28 T CA 1.598 63.755 62.100 0.095 0.000 1.139 28 T CB -0.212 68.742 68.868 0.142 0.000 0.871 28 T HN 1.317 nan 8.240 nan 0.000 0.454 29 A N 0.055 122.875 122.820 -0.000 0.000 2.520 29 A HA 0.810 5.130 4.320 0.001 0.000 0.298 29 A C -1.445 176.084 177.584 -0.092 0.000 1.051 29 A CA -0.526 51.483 52.037 -0.046 0.000 0.690 29 A CB 1.486 20.435 19.000 -0.086 0.000 1.281 29 A HN 0.495 nan 8.150 nan 0.000 0.402 30 A N 1.317 124.072 122.820 -0.109 0.000 2.497 30 A HA 0.629 4.949 4.320 0.001 0.000 0.280 30 A C -1.364 176.110 177.584 -0.183 0.000 1.065 30 A CA -0.310 51.591 52.037 -0.226 0.000 0.781 30 A CB 0.957 19.903 19.000 -0.090 0.000 1.289 30 A HN 1.535 nan 8.150 nan 0.000 0.415 31 V N 2.679 122.426 119.914 -0.278 0.000 2.487 31 V HA 0.566 4.686 4.120 0.001 0.000 0.298 31 V C -0.212 175.827 176.094 -0.092 0.000 1.028 31 V CA -0.429 61.794 62.300 -0.127 0.000 0.860 31 V CB 1.701 33.464 31.823 -0.100 0.000 0.991 31 V HN 0.952 nan 8.190 nan 0.000 0.427 32 M N 6.517 126.162 119.600 0.075 0.000 2.111 32 M HA 0.498 4.979 4.480 0.001 0.000 0.351 32 M C -1.086 175.273 176.300 0.098 0.000 1.214 32 M CA 0.046 55.453 55.300 0.178 0.000 1.120 32 M CB 0.724 33.471 32.600 0.246 0.000 1.443 32 M HN 0.418 nan 8.290 nan 0.000 0.429 33 V N 4.553 124.513 119.914 0.076 0.000 2.384 33 V HA 0.692 4.813 4.120 0.001 0.000 0.287 33 V C -0.206 175.919 176.094 0.052 0.000 1.020 33 V CA -0.508 61.824 62.300 0.053 0.000 0.850 33 V CB 1.254 33.099 31.823 0.037 0.000 0.987 33 V HN 0.911 nan 8.190 nan 0.000 0.436 34 S N 5.398 121.119 115.700 0.034 0.000 2.607 34 S HA 0.876 5.347 4.470 0.001 0.000 0.303 34 S C -0.411 174.187 174.600 -0.005 0.000 1.086 34 S CA -0.723 57.491 58.200 0.024 0.000 0.995 34 S CB 2.514 65.734 63.200 0.034 0.000 1.084 34 S HN 0.578 nan 8.310 nan 0.000 0.507 35 M N 0.288 119.880 119.600 -0.014 0.000 2.357 35 M HA 0.406 4.887 4.480 0.001 0.000 0.232 35 M C 1.945 178.234 176.300 -0.018 0.000 0.819 35 M CA 0.450 55.727 55.300 -0.037 0.000 1.630 35 M CB -0.272 32.286 32.600 -0.070 0.000 1.242 35 M HN 0.899 nan 8.290 nan 0.000 0.838 36 D N -0.001 120.387 120.400 -0.020 0.000 2.230 36 D HA -0.233 4.408 4.640 0.001 0.000 0.189 36 D C 1.095 177.415 176.300 0.033 0.000 1.006 36 D CA 3.275 57.318 54.000 0.072 0.000 0.853 36 D CB -1.485 39.382 40.800 0.113 0.000 0.959 36 D HN 0.790 nan 8.370 nan 0.000 0.449 37 D N -2.533 117.872 120.400 0.008 0.000 2.410 37 D HA 0.347 4.988 4.640 0.001 0.000 0.275 37 D C 1.056 177.361 176.300 0.009 0.000 1.152 37 D CA 0.679 54.687 54.000 0.014 0.000 0.825 37 D CB 0.249 41.061 40.800 0.020 0.000 1.312 37 D HN 0.481 nan 8.370 nan 0.000 0.532 38 T N 0.564 115.116 114.554 -0.004 0.000 2.904 38 T HA 0.672 5.022 4.350 0.001 0.000 0.290 38 T C -0.068 174.644 174.700 0.019 0.000 1.018 38 T CA 0.379 62.483 62.100 0.005 0.000 1.075 38 T CB 1.541 70.405 68.868 -0.006 0.000 0.986 38 T HN 0.860 nan 8.240 nan 0.000 0.523 39 A N 1.717 124.559 122.820 0.037 0.000 2.488 39 A HA 0.685 5.006 4.320 0.001 0.000 0.298 39 A C -1.250 176.381 177.584 0.078 0.000 1.044 39 A CA -0.649 51.422 52.037 0.058 0.000 0.693 39 A CB 1.445 20.485 19.000 0.066 0.000 1.272 39 A HN 0.631 nan 8.150 nan 0.000 0.402 40 V N 1.987 121.959 119.914 0.096 0.000 2.531 40 V HA 0.480 4.601 4.120 0.001 0.000 0.301 40 V C -0.995 175.195 176.094 0.161 0.000 1.034 40 V CA -0.386 61.983 62.300 0.115 0.000 0.865 40 V CB 1.552 33.442 31.823 0.111 0.000 0.995 40 V HN 0.829 nan 8.190 nan 0.000 0.424 41 F N 5.778 125.739 119.950 0.020 0.000 2.371 41 F HA 0.670 5.198 4.527 0.001 0.000 0.363 41 F C -0.181 175.630 175.800 0.018 0.000 1.122 41 F CA -0.374 57.639 58.000 0.020 0.000 1.129 41 F CB 1.067 40.082 39.000 0.025 0.000 1.173 41 F HN 0.281 nan 8.300 nan 0.000 0.489 42 V N 4.538 124.183 119.914 -0.448 0.000 2.513 42 V HA 0.589 4.709 4.120 0.001 0.000 0.299 42 V C -0.303 175.494 176.094 -0.494 0.000 1.035 42 V CA -0.688 61.414 62.300 -0.331 0.000 0.889 42 V CB 1.813 33.537 31.823 -0.166 0.000 0.988 42 V HN 0.808 nan 8.190 nan 0.000 0.440 43 T N 1.057 115.430 114.554 -0.302 0.000 2.886 43 T HA 0.786 5.137 4.350 0.001 0.000 0.292 43 T C -0.920 173.711 174.700 -0.115 0.000 1.012 43 T CA -0.753 61.210 62.100 -0.227 0.000 0.982 43 T CB 1.786 70.568 68.868 -0.143 0.000 1.018 43 T HN 0.323 nan 8.240 nan 0.000 0.451 44 V N 2.905 122.761 119.914 -0.097 0.000 2.444 44 V HA 0.587 4.707 4.120 0.001 0.000 0.294 44 V C -0.569 175.512 176.094 -0.022 0.000 1.022 44 V CA -0.736 61.527 62.300 -0.061 0.000 0.850 44 V CB 1.765 33.530 31.823 -0.096 0.000 0.992 44 V HN 0.910 nan 8.190 nan 0.000 0.426 45 V N 3.812 123.729 119.914 0.005 0.000 2.444 45 V HA 0.811 4.932 4.120 0.001 0.000 0.294 45 V C 0.539 176.666 176.094 0.055 0.000 1.022 45 V CA -0.335 61.991 62.300 0.043 0.000 0.850 45 V CB 1.853 33.704 31.823 0.047 0.000 0.992 45 V HN 0.935 nan 8.190 nan 0.000 0.426 46 G N 3.045 111.908 108.800 0.105 0.000 2.470 46 G HA2 0.534 4.495 3.960 0.001 0.000 0.320 46 G HA3 0.534 4.495 3.960 0.001 0.000 0.320 46 G C -0.780 174.305 174.900 0.308 0.000 1.245 46 G CA -0.496 44.678 45.100 0.124 0.000 0.935 46 G HN 0.457 nan 8.290 nan 0.000 0.476 47 Q N 1.335 121.282 119.800 0.246 0.000 2.313 47 Q HA 0.115 4.455 4.340 0.001 0.000 0.266 47 Q C 0.826 177.083 176.000 0.429 0.000 0.989 47 Q CA -0.291 55.662 55.803 0.251 0.000 0.890 47 Q CB 1.891 30.697 28.738 0.113 0.000 1.200 47 Q HN 0.514 nan 8.270 nan 0.000 0.396 48 K N 1.801 122.376 120.400 0.292 0.000 2.097 48 K HA -0.087 4.234 4.320 0.001 0.000 0.205 48 K C 0.517 177.195 176.600 0.130 0.000 1.050 48 K CA 1.200 57.554 56.287 0.112 0.000 0.938 48 K CB 0.171 32.620 32.500 -0.085 0.000 0.718 48 K HN 0.550 nan 8.250 nan 0.000 0.442 49 K N -0.072 120.389 120.400 0.101 0.000 2.259 49 K HA 0.633 4.954 4.320 0.001 0.000 0.252 49 K C -0.865 175.764 176.600 0.049 0.000 0.936 49 K CA -0.729 55.600 56.287 0.070 0.000 0.810 49 K CB 2.398 34.917 32.500 0.032 0.000 1.143 49 K HN -0.159 nan 8.250 nan 0.000 0.427 50 A N 1.728 124.564 122.820 0.027 0.000 2.269 50 A HA 0.381 4.701 4.320 0.001 0.000 0.319 50 A C -0.470 177.096 177.584 -0.030 0.000 1.110 50 A CA -0.849 51.173 52.037 -0.025 0.000 0.847 50 A CB 0.682 19.652 19.000 -0.050 0.000 1.161 50 A HN 0.571 nan 8.150 nan 0.000 0.497 51 K N 1.752 122.117 120.400 -0.059 0.000 2.382 51 K HA 0.221 4.541 4.320 0.001 0.000 0.275 51 K C -1.590 174.986 176.600 -0.040 0.000 1.009 51 K CA -0.445 55.811 56.287 -0.051 0.000 0.970 51 K CB 0.477 32.932 32.500 -0.075 0.000 0.934 51 K HN 0.736 nan 8.250 nan 0.000 0.479 52 P HA -0.082 nan 4.420 nan 0.000 0.218 52 P C 0.599 177.891 177.300 -0.014 0.000 1.149 52 P CA 1.131 64.223 63.100 -0.014 0.000 0.817 52 P CB 0.177 31.873 31.700 -0.007 0.000 0.785 53 G N 0.323 109.113 108.800 -0.017 0.000 4.649 53 G HA2 0.299 4.259 3.960 0.001 0.000 0.312 53 G HA3 0.299 4.259 3.960 0.001 0.000 0.312 53 G C -0.600 174.284 174.900 -0.027 0.000 1.403 53 G CA 0.003 45.098 45.100 -0.008 0.000 1.248 53 G HN 0.114 nan 8.290 nan 0.000 0.581 54 Q N 0.701 120.467 119.800 -0.056 0.000 2.333 54 Q HA 0.443 4.784 4.340 0.001 0.000 0.267 54 Q C 0.184 176.139 176.000 -0.076 0.000 1.012 54 Q CA -0.638 55.088 55.803 -0.129 0.000 0.824 54 Q CB 2.144 30.768 28.738 -0.191 0.000 1.290 54 Q HN 0.357 nan 8.270 nan 0.000 0.449 55 D N 2.240 122.607 120.400 -0.055 0.000 2.461 55 D HA 0.051 4.692 4.640 0.001 0.000 0.266 55 D C 0.059 176.419 176.300 0.099 0.000 1.085 55 D CA 0.120 54.149 54.000 0.049 0.000 0.887 55 D CB -0.184 40.684 40.800 0.112 0.000 1.309 55 D HN 0.378 nan 8.370 nan 0.000 0.498 56 F N 0.252 120.216 119.950 0.024 0.000 2.425 56 F HA 0.624 5.151 4.527 0.001 0.000 0.331 56 F C -0.464 175.383 175.800 0.078 0.000 1.085 56 F CA -2.022 56.004 58.000 0.044 0.000 1.028 56 F CB 0.874 39.883 39.000 0.015 0.000 1.177 56 F HN -0.226 nan 8.300 nan 0.000 0.487 57 F N 5.499 125.471 119.950 0.037 0.000 2.438 57 F HA 0.518 5.045 4.527 0.001 0.000 0.360 57 F C -2.511 173.285 175.800 -0.008 0.000 1.118 57 F CA -3.574 54.377 58.000 -0.080 0.000 1.164 57 F CB 0.479 39.459 39.000 -0.034 0.000 1.131 57 F HN 0.284 nan 8.300 nan 0.000 0.527 58 P HA 0.241 nan 4.420 nan 0.000 0.274 58 P C -1.254 175.566 177.300 -0.799 0.000 1.504 58 P CA -0.287 62.521 63.100 -0.486 0.000 1.011 58 P CB 1.128 32.634 31.700 -0.322 0.000 1.366 59 L N 3.208 123.981 121.223 -0.749 0.000 2.298 59 L HA 0.606 4.946 4.340 0.001 0.000 0.284 59 L C -0.420 176.319 176.870 -0.218 0.000 1.013 59 L CA -0.034 54.471 54.840 -0.558 0.000 0.824 59 L CB 1.772 43.531 42.059 -0.500 0.000 1.221 59 L HN 0.226 nan 8.230 nan 0.000 0.418 60 T N 4.872 119.338 114.554 -0.146 0.000 2.809 60 T HA 0.652 5.003 4.350 0.001 0.000 0.284 60 T C -1.206 173.479 174.700 -0.024 0.000 0.992 60 T CA -0.413 61.649 62.100 -0.064 0.000 0.957 60 T CB 0.765 69.603 68.868 -0.050 0.000 0.942 60 T HN 0.332 nan 8.240 nan 0.000 0.439 61 V N 6.595 126.510 119.914 0.003 0.000 2.357 61 V HA 0.506 4.627 4.120 0.001 0.000 0.284 61 V C -0.370 175.752 176.094 0.047 0.000 1.018 61 V CA -1.065 61.252 62.300 0.030 0.000 0.841 61 V CB 1.448 33.296 31.823 0.042 0.000 0.991 61 V HN 0.801 nan 8.190 nan 0.000 0.437 62 N N 3.661 122.394 118.700 0.055 0.000 2.469 62 N HA 0.307 5.047 4.740 0.001 0.000 0.253 62 N C -1.116 174.461 175.510 0.111 0.000 0.970 62 N CA -0.334 52.757 53.050 0.068 0.000 0.940 62 N CB 1.477 39.984 38.487 0.034 0.000 1.128 62 N HN 0.730 nan 8.380 nan 0.000 0.503 63 Y N 2.813 123.111 120.300 -0.003 0.000 2.369 63 Y HA 0.212 4.763 4.550 0.001 0.000 0.337 63 Y C -0.368 175.530 175.900 -0.003 0.000 0.961 63 Y CA -0.775 57.323 58.100 -0.003 0.000 1.186 63 Y CB 0.639 39.096 38.460 -0.006 0.000 1.139 63 Y HN 0.410 nan 8.280 nan 0.000 0.494 64 Q N 4.056 123.622 119.800 -0.391 0.000 2.333 64 Q HA 0.473 4.814 4.340 0.001 0.000 0.267 64 Q C -1.463 174.254 176.000 -0.472 0.000 1.012 64 Q CA -0.919 54.690 55.803 -0.323 0.000 0.824 64 Q CB 2.174 30.823 28.738 -0.149 0.000 1.290 64 Q HN 0.652 nan 8.270 nan 0.000 0.449 65 E N 2.759 122.741 120.200 -0.365 0.000 2.055 65 E HA 0.254 4.605 4.350 0.001 0.000 0.274 65 E C -0.696 175.754 176.600 -0.250 0.000 0.949 65 E CA -0.746 55.466 56.400 -0.314 0.000 0.775 65 E CB 0.981 30.563 29.700 -0.197 0.000 1.097 65 E HN 0.290 nan 8.360 nan 0.000 0.404 66 R N 1.345 121.641 120.500 -0.340 0.000 2.438 66 R HA 0.057 4.398 4.340 0.001 0.000 0.287 66 R C 1.240 177.265 176.300 -0.458 0.000 1.077 66 R CA 0.063 55.877 56.100 -0.477 0.000 1.034 66 R CB 0.721 30.469 30.300 -0.920 0.000 0.993 66 R HN 0.618 nan 8.270 nan 0.000 0.459 67 T N -1.157 113.218 114.554 -0.300 0.000 3.055 67 T HA -0.123 4.227 4.350 0.001 0.000 0.265 67 T C 1.648 176.291 174.700 -0.095 0.000 1.111 67 T CA 0.909 62.923 62.100 -0.143 0.000 1.118 67 T CB -0.322 68.523 68.868 -0.039 0.000 0.909 67 T HN 0.749 nan 8.240 nan 0.000 0.501 68 Y N 0.748 121.042 120.300 -0.010 0.000 2.616 68 Y HA 0.603 5.153 4.550 0.000 0.000 0.296 68 Y C 2.427 178.321 175.900 -0.010 0.000 1.154 68 Y CA -0.363 57.731 58.100 -0.010 0.000 1.325 68 Y CB -0.719 37.732 38.460 -0.015 0.000 1.007 68 Y HN 0.233 nan 8.280 nan 0.000 0.542 69 A N 1.405 124.154 122.820 -0.119 0.000 1.902 69 A HA -0.004 4.316 4.320 0.001 0.000 0.217 69 A C 2.395 179.988 177.584 0.014 0.000 1.181 69 A CA 1.782 53.797 52.037 -0.036 0.000 0.623 69 A CB -1.072 17.847 19.000 -0.134 0.000 0.818 69 A HN 0.615 nan 8.150 nan 0.000 0.443 70 A N -2.108 120.711 122.820 -0.002 0.000 1.997 70 A HA 0.441 4.761 4.320 0.001 0.000 0.212 70 A C 1.567 179.169 177.584 0.031 0.000 1.178 70 A CA 1.257 53.301 52.037 0.013 0.000 0.698 70 A CB -0.490 18.512 19.000 0.002 0.000 0.842 70 A HN 1.988 nan 8.150 nan 0.000 0.458 71 G N -0.922 107.906 108.800 0.046 0.000 2.754 71 G HA2 -0.075 3.886 3.960 0.001 0.000 0.215 71 G HA3 -0.075 3.886 3.960 0.001 0.000 0.215 71 G C -0.278 174.646 174.900 0.041 0.000 1.121 71 G CA 0.105 45.238 45.100 0.055 0.000 0.954 71 G HN 0.650 nan 8.290 nan 0.000 0.511 72 R N -0.146 120.379 120.500 0.043 0.000 2.584 72 R HA 0.557 4.898 4.340 0.001 0.000 0.276 72 R C -0.205 176.118 176.300 0.037 0.000 1.046 72 R CA -1.125 54.993 56.100 0.031 0.000 0.906 72 R CB 1.184 31.496 30.300 0.020 0.000 1.215 72 R HN 0.201 nan 8.270 nan 0.000 0.449 73 I N 5.799 126.388 120.570 0.032 0.000 2.452 73 I HA 0.178 4.349 4.170 0.001 0.000 0.287 73 I C -1.505 174.629 176.117 0.027 0.000 1.079 73 I CA -1.627 59.693 61.300 0.033 0.000 1.387 73 I CB 0.906 38.919 38.000 0.022 0.000 1.404 73 I HN 0.384 nan 8.210 nan 0.000 0.522 74 P HA 0.019 nan 4.420 nan 0.000 0.266 74 P C 0.449 177.770 177.300 0.035 0.000 1.195 74 P CA -0.205 62.916 63.100 0.034 0.000 0.768 74 P CB 0.603 32.329 31.700 0.044 0.000 0.838 75 G N 1.095 109.917 108.800 0.037 0.000 3.562 75 G HA2 0.214 4.174 3.960 0.001 0.000 0.279 75 G HA3 0.214 4.174 3.960 0.001 0.000 0.279 75 G C 0.406 175.342 174.900 0.060 0.000 1.314 75 G CA -0.232 44.890 45.100 0.036 0.000 1.189 75 G HN 0.615 nan 8.290 nan 0.000 0.562 76 S N -1.294 114.455 115.700 0.080 0.000 2.690 76 S HA 0.494 4.965 4.470 0.001 0.000 0.291 76 S C 0.803 175.487 174.600 0.141 0.000 1.138 76 S CA -0.775 57.509 58.200 0.141 0.000 1.013 76 S CB 1.489 64.794 63.200 0.175 0.000 1.053 76 S HN 0.069 nan 8.310 nan 0.000 0.539 77 F N 0.290 120.261 119.950 0.035 0.000 2.171 77 F HA 0.069 4.597 4.527 0.002 0.000 0.300 77 F C 1.320 177.007 175.800 -0.188 0.000 1.090 77 F CA 1.297 59.235 58.000 -0.103 0.000 1.293 77 F CB -0.227 38.658 39.000 -0.191 0.000 1.013 77 F HN 0.637 nan 8.300 nan 0.000 0.486 78 F N -0.207 119.856 119.950 0.187 0.000 2.743 78 F HA 0.154 4.682 4.527 0.001 0.000 0.297 78 F C 0.902 176.723 175.800 0.035 0.000 1.131 78 F CA 0.198 58.261 58.000 0.105 0.000 1.426 78 F CB -0.024 39.042 39.000 0.111 0.000 1.116 78 F HN -0.259 nan 8.300 nan 0.000 0.583 79 R N 0.902 121.503 120.500 0.168 0.000 3.531 79 R HA -0.207 4.133 4.340 0.001 0.000 0.280 79 R C -0.100 176.266 176.300 0.109 0.000 1.130 79 R CA 0.425 56.581 56.100 0.094 0.000 0.757 79 R CB -2.101 28.219 30.300 0.032 0.000 1.218 79 R HN 0.381 nan 8.270 nan 0.000 0.454 80 R N 0.752 121.335 120.500 0.138 0.000 2.771 80 R HA 0.258 4.598 4.340 0.001 0.000 0.274 80 R C -0.886 175.457 176.300 0.072 0.000 0.987 80 R CA -0.781 55.377 56.100 0.097 0.000 0.908 80 R CB 1.477 31.830 30.300 0.089 0.000 1.213 80 R HN -0.050 nan 8.270 nan 0.000 0.468 81 E N 0.655 120.880 120.200 0.041 0.000 2.415 81 E HA 0.154 4.504 4.350 0.001 0.000 0.260 81 E C 0.356 176.961 176.600 0.008 0.000 1.016 81 E CA 0.429 56.839 56.400 0.016 0.000 0.924 81 E CB 1.127 30.819 29.700 -0.013 0.000 0.961 81 E HN 0.685 nan 8.360 nan 0.000 0.459 82 G N 3.159 111.966 108.800 0.013 0.000 2.714 82 G HA2 0.224 4.185 3.960 0.001 0.000 0.197 82 G HA3 0.224 4.185 3.960 0.001 0.000 0.197 82 G C -0.312 174.584 174.900 -0.006 0.000 1.449 82 G CA -0.734 44.364 45.100 -0.003 0.000 1.065 82 G HN 0.414 nan 8.290 nan 0.000 0.575 83 R N 1.105 121.604 120.500 -0.003 0.000 2.543 83 R HA 0.264 4.605 4.340 0.001 0.000 0.277 83 R C -1.958 174.350 176.300 0.013 0.000 1.074 83 R CA -0.975 55.127 56.100 0.002 0.000 1.076 83 R CB 0.392 30.694 30.300 0.003 0.000 0.993 83 R HN 0.323 nan 8.270 nan 0.000 0.459 84 P HA -0.055 nan 4.420 nan 0.000 0.264 84 P C -0.504 176.821 177.300 0.041 0.000 1.183 84 P CA 0.102 63.220 63.100 0.030 0.000 0.763 84 P CB 0.816 32.541 31.700 0.042 0.000 0.807 85 S N 1.515 117.244 115.700 0.048 0.000 2.666 85 S HA 0.209 4.680 4.470 0.001 0.000 0.279 85 S C 1.184 175.821 174.600 0.061 0.000 1.149 85 S CA -0.624 57.608 58.200 0.053 0.000 1.020 85 S CB 0.801 64.032 63.200 0.052 0.000 1.127 85 S HN 0.449 nan 8.310 nan 0.000 0.537 86 E N 0.634 120.872 120.200 0.064 0.000 2.077 86 E HA -0.030 4.321 4.350 0.001 0.000 0.193 86 E C 1.604 178.236 176.600 0.054 0.000 0.989 86 E CA 1.049 57.486 56.400 0.062 0.000 0.800 86 E CB -0.646 29.099 29.700 0.075 0.000 0.746 86 E HN 0.838 nan 8.360 nan 0.000 0.452 87 G N 0.399 109.235 108.800 0.059 0.000 3.332 87 G HA2 -0.094 3.866 3.960 0.001 0.000 0.242 87 G HA3 -0.094 3.866 3.960 0.001 0.000 0.242 87 G C 0.708 175.667 174.900 0.098 0.000 1.276 87 G CA -0.021 45.115 45.100 0.060 0.000 0.988 87 G HN 0.162 nan 8.290 nan 0.000 0.517 88 E N -1.791 118.477 120.200 0.113 0.000 2.617 88 E HA -0.014 4.337 4.350 0.001 0.000 0.208 88 E C 1.782 178.500 176.600 0.197 0.000 0.888 88 E CA 0.238 56.767 56.400 0.216 0.000 1.485 88 E CB 0.421 30.209 29.700 0.146 0.000 1.482 88 E HN 0.242 nan 8.360 nan 0.000 0.813 89 T N 1.103 115.712 114.554 0.093 0.000 3.009 89 T HA 0.106 4.456 4.350 0.001 0.000 0.258 89 T C 1.754 176.454 174.700 -0.001 0.000 1.063 89 T CA 0.321 62.453 62.100 0.054 0.000 1.139 89 T CB 0.144 69.035 68.868 0.038 0.000 0.890 89 T HN 0.059 nan 8.240 nan 0.000 0.471 90 L N 0.334 121.544 121.223 -0.022 0.000 2.141 90 L HA 0.018 4.359 4.340 0.001 0.000 0.209 90 L C 2.089 178.887 176.870 -0.121 0.000 1.094 90 L CA 0.940 55.739 54.840 -0.069 0.000 0.763 90 L CB -0.530 41.493 42.059 -0.060 0.000 0.908 90 L HN 0.219 nan 8.230 nan 0.000 0.437 91 I N -0.121 120.339 120.570 -0.184 0.000 2.439 91 I HA -0.170 4.001 4.170 0.001 0.000 0.251 91 I C 2.694 178.603 176.117 -0.347 0.000 1.139 91 I CA 1.189 62.258 61.300 -0.386 0.000 1.438 91 I CB -0.648 36.853 38.000 -0.832 0.000 1.085 91 I HN 0.101 nan 8.210 nan 0.000 0.427 92 A N 0.619 123.333 122.820 -0.177 0.000 1.933 92 A HA -0.176 4.144 4.320 0.001 0.000 0.218 92 A C 2.449 180.004 177.584 -0.048 0.000 1.175 92 A CA 1.487 53.501 52.037 -0.038 0.000 0.628 92 A CB -0.510 18.528 19.000 0.063 0.000 0.814 92 A HN 0.330 nan 8.150 nan 0.000 0.444 93 R N -1.481 118.979 120.500 -0.068 0.000 2.153 93 R HA 0.065 4.405 4.340 0.001 0.000 0.218 93 R C 1.845 178.100 176.300 -0.075 0.000 1.072 93 R CA 0.876 56.935 56.100 -0.068 0.000 0.990 93 R CB -0.311 29.935 30.300 -0.091 0.000 0.889 93 R HN 0.458 nan 8.270 nan 0.000 0.452 94 L N 0.580 121.742 121.223 -0.103 0.000 2.291 94 L HA -0.036 4.304 4.340 0.001 0.000 0.214 94 L C 1.694 178.520 176.870 -0.072 0.000 1.120 94 L CA 1.391 56.172 54.840 -0.098 0.000 0.799 94 L CB 0.140 42.120 42.059 -0.131 0.000 0.925 94 L HN 0.104 nan 8.230 nan 0.000 0.446 95 I N -1.667 118.862 120.570 -0.068 0.000 2.731 95 I HA -0.078 4.092 4.170 0.001 0.000 0.260 95 I C 1.917 178.048 176.117 0.024 0.000 1.138 95 I CA 0.598 61.883 61.300 -0.025 0.000 1.461 95 I CB -0.216 37.769 38.000 -0.025 0.000 1.128 95 I HN 0.126 nan 8.210 nan 0.000 0.438 96 D N 1.241 121.654 120.400 0.022 0.000 2.149 96 D HA -0.177 4.464 4.640 0.001 0.000 0.201 96 D C 2.237 178.581 176.300 0.073 0.000 0.972 96 D CA 1.272 55.308 54.000 0.060 0.000 0.835 96 D CB 0.130 40.949 40.800 0.033 0.000 0.966 96 D HN 0.059 nan 8.370 nan 0.000 0.476 97 R N -0.059 120.458 120.500 0.029 0.000 2.066 97 R HA -0.025 4.316 4.340 0.001 0.000 0.232 97 R C -0.704 175.617 176.300 0.034 0.000 1.131 97 R CA 1.498 57.611 56.100 0.021 0.000 0.955 97 R CB -0.657 29.630 30.300 -0.021 0.000 0.851 97 R HN 0.284 nan 8.270 nan 0.000 0.432 98 P HA -0.098 nan 4.420 nan 0.000 0.222 98 P C 1.214 178.537 177.300 0.037 0.000 1.153 98 P CA 1.197 64.310 63.100 0.021 0.000 0.798 98 P CB -0.147 31.562 31.700 0.015 0.000 0.796 99 I N -3.236 117.399 120.570 0.109 0.000 3.226 99 I HA 0.163 4.334 4.170 0.001 0.000 0.277 99 I C 2.554 178.818 176.117 0.245 0.000 1.243 99 I CA 0.351 61.764 61.300 0.187 0.000 1.459 99 I CB -0.498 37.711 38.000 0.347 0.000 1.093 99 I HN -0.268 nan 8.210 nan 0.000 0.453 100 R N 2.662 123.312 120.500 0.250 0.000 2.070 100 R HA -0.033 4.308 4.340 0.001 0.000 0.233 100 R C -0.626 175.821 176.300 0.245 0.000 1.137 100 R CA 2.066 58.367 56.100 0.335 0.000 0.945 100 R CB -1.658 28.774 30.300 0.220 0.000 0.845 100 R HN 0.323 nan 8.270 nan 0.000 0.430 101 P HA 0.031 nan 4.420 nan 0.000 0.241 101 P C 0.667 177.887 177.300 -0.133 0.000 1.191 101 P CA 0.759 63.857 63.100 -0.003 0.000 0.771 101 P CB 0.103 31.791 31.700 -0.020 0.000 0.929 102 L N -2.136 118.918 121.223 -0.283 0.000 2.291 102 L HA 0.008 4.349 4.340 0.001 0.000 0.214 102 L C 0.828 177.238 176.870 -0.766 0.000 1.120 102 L CA 0.342 54.789 54.840 -0.655 0.000 0.799 102 L CB -0.592 40.767 42.059 -1.165 0.000 0.925 102 L HN -0.103 nan 8.230 nan 0.000 0.446 103 F N 0.793 120.446 119.950 -0.495 0.000 2.495 103 F HA 0.160 4.687 4.527 0.001 0.000 0.365 103 F C -1.566 173.945 175.800 -0.481 0.000 1.090 103 F CA -2.273 55.386 58.000 -0.569 0.000 1.235 103 F CB -0.433 38.150 39.000 -0.695 0.000 1.119 103 F HN -0.212 nan 8.300 nan 0.000 0.562 104 P HA -0.057 nan 4.420 nan 0.000 0.267 104 P C -0.591 176.682 177.300 -0.045 0.000 1.200 104 P CA -0.273 62.720 63.100 -0.177 0.000 0.772 104 P CB 0.443 32.020 31.700 -0.204 0.000 0.855 105 E N 1.364 121.606 120.200 0.070 0.000 2.351 105 E HA 0.262 4.612 4.350 0.001 0.000 0.266 105 E C 0.905 177.657 176.600 0.253 0.000 1.031 105 E CA 0.602 57.072 56.400 0.117 0.000 0.911 105 E CB -0.656 29.104 29.700 0.100 0.000 0.986 105 E HN 0.733 nan 8.360 nan 0.000 0.446 106 G N 4.311 113.252 108.800 0.234 0.000 2.284 106 G HA2 -0.270 3.690 3.960 0.001 0.000 0.201 106 G HA3 -0.270 3.690 3.960 0.001 0.000 0.201 106 G C -0.117 175.043 174.900 0.434 0.000 0.998 106 G CA -0.218 45.078 45.100 0.326 0.000 0.651 106 G HN 0.564 nan 8.290 nan 0.000 0.489 107 F N 2.643 122.670 119.950 0.127 0.000 2.506 107 F HA 0.459 4.987 4.527 0.001 0.000 0.371 107 F C 1.345 177.096 175.800 -0.081 0.000 1.078 107 F CA 0.608 58.540 58.000 -0.113 0.000 1.195 107 F CB 1.376 39.968 39.000 -0.680 0.000 1.099 107 F HN 0.394 nan 8.300 nan 0.000 0.548 108 V N 1.673 121.388 119.914 -0.331 0.000 3.252 108 V HA 0.337 4.457 4.120 0.001 0.000 0.320 108 V C 0.063 175.991 176.094 -0.277 0.000 1.459 108 V CA -0.649 61.578 62.300 -0.122 0.000 1.095 108 V CB -0.678 31.099 31.823 -0.076 0.000 0.997 108 V HN 0.612 nan 8.190 nan 0.000 0.469 109 N N 2.724 121.019 118.700 -0.675 0.000 2.518 109 N HA 0.183 4.923 4.740 0.001 0.000 0.266 109 N C -0.032 175.350 175.510 -0.213 0.000 1.196 109 N CA 0.183 52.966 53.050 -0.444 0.000 0.947 109 N CB 1.181 39.355 38.487 -0.521 0.000 1.098 109 N HN 0.685 nan 8.380 nan 0.000 0.450 110 E N 1.338 121.447 120.200 -0.152 0.000 2.299 110 E HA 0.208 4.558 4.350 0.001 0.000 0.272 110 E C -0.819 175.734 176.600 -0.079 0.000 1.043 110 E CA -0.526 55.782 56.400 -0.153 0.000 0.895 110 E CB 0.363 29.993 29.700 -0.117 0.000 1.011 110 E HN 0.348 nan 8.360 nan 0.000 0.432 111 V N 1.830 121.666 119.914 -0.131 0.000 2.656 111 V HA 0.490 4.610 4.120 0.001 0.000 0.307 111 V C -0.728 175.317 176.094 -0.081 0.000 1.051 111 V CA -1.017 61.248 62.300 -0.060 0.000 0.893 111 V CB 1.595 33.420 31.823 0.003 0.000 0.999 111 V HN 0.739 nan 8.190 nan 0.000 0.426 112 Q N 2.546 122.328 119.800 -0.031 0.000 2.321 112 Q HA 0.707 5.048 4.340 0.001 0.000 0.270 112 Q C -1.832 174.164 176.000 -0.007 0.000 1.032 112 Q CA -0.658 55.131 55.803 -0.024 0.000 0.784 112 Q CB 2.432 31.161 28.738 -0.016 0.000 1.264 112 Q HN 0.825 nan 8.270 nan 0.000 0.448 113 V N 6.370 126.284 119.914 0.000 0.000 2.311 113 V HA 0.393 4.514 4.120 0.001 0.000 0.275 113 V C -0.275 175.824 176.094 0.008 0.000 1.022 113 V CA -0.439 61.861 62.300 0.000 0.000 0.830 113 V CB 0.928 32.761 31.823 0.017 0.000 1.012 113 V HN 0.710 nan 8.190 nan 0.000 0.452 114 I N 4.555 125.123 120.570 -0.004 0.000 2.330 114 I HA 0.635 4.805 4.170 0.001 0.000 0.286 114 I C 0.486 176.605 176.117 0.003 0.000 1.025 114 I CA -0.239 61.068 61.300 0.011 0.000 1.197 114 I CB 1.370 39.382 38.000 0.020 0.000 1.358 114 I HN 0.621 nan 8.210 nan 0.000 0.467 115 A N 4.425 127.268 122.820 0.038 0.000 2.267 115 A HA 0.631 4.952 4.320 0.001 0.000 0.315 115 A C -0.133 177.448 177.584 -0.005 0.000 1.297 115 A CA -0.442 51.626 52.037 0.050 0.000 0.865 115 A CB 1.014 20.103 19.000 0.148 0.000 1.165 115 A HN 0.566 nan 8.150 nan 0.000 0.513 116 T N 2.234 116.797 114.554 0.015 0.000 2.797 116 T HA 0.482 4.833 4.350 0.001 0.000 0.279 116 T C -0.478 174.198 174.700 -0.039 0.000 0.991 116 T CA -0.319 61.751 62.100 -0.049 0.000 0.979 116 T CB 0.535 69.426 68.868 0.039 0.000 0.943 116 T HN 0.480 nan 8.240 nan 0.000 0.444 117 V N 6.571 126.380 119.914 -0.176 0.000 2.470 117 V HA 0.213 4.333 4.120 0.001 0.000 0.276 117 V C 1.159 177.182 176.094 -0.117 0.000 1.040 117 V CA 0.012 62.240 62.300 -0.120 0.000 1.008 117 V CB 1.046 32.765 31.823 -0.174 0.000 0.990 117 V HN 0.829 nan 8.190 nan 0.000 0.477 118 V N 3.938 123.850 119.914 -0.003 0.000 3.570 118 V HA 0.330 4.451 4.120 0.001 0.000 0.257 118 V C 0.711 176.862 176.094 0.094 0.000 1.272 118 V CA 1.104 63.454 62.300 0.082 0.000 1.079 118 V CB 1.228 33.142 31.823 0.153 0.000 0.829 118 V HN 0.817 nan 8.190 nan 0.000 0.454 119 S N -1.059 114.669 115.700 0.046 0.000 2.533 119 S HA 0.681 5.152 4.470 0.001 0.000 0.271 119 S C -1.761 172.852 174.600 0.021 0.000 1.143 119 S CA -0.246 57.981 58.200 0.045 0.000 0.891 119 S CB 1.873 65.106 63.200 0.055 0.000 1.105 119 S HN 0.183 nan 8.310 nan 0.000 0.468 120 V N 3.956 123.879 119.914 0.015 0.000 2.851 120 V HA 0.658 4.779 4.120 0.001 0.000 0.307 120 V C -1.385 174.715 176.094 0.010 0.000 1.129 120 V CA -0.696 61.609 62.300 0.009 0.000 0.932 120 V CB 2.168 33.992 31.823 0.001 0.000 1.024 120 V HN 0.960 nan 8.190 nan 0.000 0.426 121 N N 6.256 124.958 118.700 0.004 0.000 2.417 121 N HA 0.607 5.348 4.740 0.001 0.000 0.274 121 N C -2.181 173.331 175.510 0.003 0.000 0.987 121 N CA -2.025 51.028 53.050 0.005 0.000 0.912 121 N CB 2.555 41.045 38.487 0.004 0.000 1.177 121 N HN 0.324 nan 8.380 nan 0.000 0.490 122 P HA -0.094 nan 4.420 nan 0.000 0.234 122 P C 0.251 177.558 177.300 0.011 0.000 1.162 122 P CA 0.974 64.081 63.100 0.011 0.000 0.759 122 P CB 0.303 32.011 31.700 0.013 0.000 0.813 123 Q N -1.694 118.112 119.800 0.009 0.000 2.423 123 Q HA 0.137 4.478 4.340 0.001 0.000 0.231 123 Q C 0.410 176.401 176.000 -0.014 0.000 0.894 123 Q CA 0.612 56.425 55.803 0.015 0.000 0.938 123 Q CB 0.512 29.276 28.738 0.043 0.000 1.079 123 Q HN 0.133 nan 8.270 nan 0.000 0.552 124 V N 2.973 122.855 119.914 -0.052 0.000 2.347 124 V HA 0.249 4.370 4.120 0.001 0.000 0.280 124 V C -0.195 175.867 176.094 -0.054 0.000 1.021 124 V CA -1.011 61.220 62.300 -0.115 0.000 0.847 124 V CB 1.315 33.001 31.823 -0.229 0.000 0.990 124 V HN 0.112 nan 8.190 nan 0.000 0.444 125 N N 7.518 126.196 118.700 -0.036 0.000 2.470 125 N HA 0.268 5.009 4.740 0.001 0.000 0.268 125 N C -1.307 174.208 175.510 0.009 0.000 1.136 125 N CA -1.839 51.209 53.050 -0.004 0.000 0.961 125 N CB 1.470 39.958 38.487 0.001 0.000 1.067 125 N HN 0.325 nan 8.380 nan 0.000 0.468 126 P HA -0.048 nan 4.420 nan 0.000 0.242 126 P C 0.078 177.432 177.300 0.091 0.000 1.197 126 P CA 0.505 63.653 63.100 0.080 0.000 0.765 126 P CB 0.221 31.995 31.700 0.123 0.000 0.936 127 D N 1.195 121.609 120.400 0.023 0.000 2.183 127 D HA -0.159 4.482 4.640 0.001 0.000 0.203 127 D C 1.664 177.925 176.300 -0.065 0.000 0.969 127 D CA 0.987 54.936 54.000 -0.085 0.000 0.842 127 D CB -1.205 39.529 40.800 -0.109 0.000 0.957 127 D HN 0.289 nan 8.370 nan 0.000 0.484 128 I N -1.591 118.972 120.570 -0.011 0.000 3.030 128 I HA 0.037 4.207 4.170 0.001 0.000 0.270 128 I C 2.031 178.167 176.117 0.033 0.000 1.211 128 I CA 0.062 61.371 61.300 0.015 0.000 1.479 128 I CB -0.390 37.639 38.000 0.049 0.000 1.105 128 I HN -0.157 nan 8.210 nan 0.000 0.447 129 V N 1.640 121.576 119.914 0.036 0.000 2.453 129 V HA -0.073 4.047 4.120 0.001 0.000 0.247 129 V C 2.949 179.072 176.094 0.048 0.000 1.048 129 V CA 1.662 63.988 62.300 0.043 0.000 1.049 129 V CB -1.181 30.666 31.823 0.040 0.000 0.672 129 V HN 0.565 nan 8.190 nan 0.000 0.457 130 A N 1.320 124.179 122.820 0.066 0.000 1.898 130 A HA -0.187 4.134 4.320 0.001 0.000 0.216 130 A C 2.275 179.879 177.584 0.033 0.000 1.181 130 A CA 2.074 54.165 52.037 0.090 0.000 0.620 130 A CB -0.444 18.676 19.000 0.201 0.000 0.819 130 A HN 0.636 nan 8.150 nan 0.000 0.442 131 M N -1.644 117.957 119.600 0.001 0.000 2.394 131 M HA 0.062 4.543 4.480 0.001 0.000 0.264 131 M C 1.480 177.774 176.300 -0.010 0.000 1.073 131 M CA 1.218 56.511 55.300 -0.010 0.000 1.111 131 M CB -0.489 32.098 32.600 -0.022 0.000 1.401 131 M HN 0.142 nan 8.290 nan 0.000 0.448 132 I N 1.997 122.565 120.570 -0.003 0.000 2.286 132 I HA -0.059 4.111 4.170 0.001 0.000 0.245 132 I C 2.757 178.861 176.117 -0.022 0.000 1.104 132 I CA 1.603 62.896 61.300 -0.010 0.000 1.397 132 I CB -1.841 36.163 38.000 0.007 0.000 1.072 132 I HN 0.418 nan 8.210 nan 0.000 0.417 133 G N 0.608 109.398 108.800 -0.016 0.000 2.422 133 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 133 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 133 G C 1.825 176.677 174.900 -0.081 0.000 1.146 133 G CA 0.878 45.954 45.100 -0.040 0.000 0.769 133 G HN 0.473 nan 8.290 nan 0.000 0.547 134 A N 0.406 123.186 122.820 -0.068 0.000 1.929 134 A HA 0.081 4.402 4.320 0.001 0.000 0.216 134 A C 2.585 180.075 177.584 -0.157 0.000 1.176 134 A CA 2.062 54.041 52.037 -0.098 0.000 0.628 134 A CB -0.631 18.341 19.000 -0.046 0.000 0.816 134 A HN 0.390 nan 8.150 nan 0.000 0.444 135 S N -0.470 115.162 115.700 -0.112 0.000 2.402 135 S HA 0.019 4.490 4.470 0.001 0.000 0.229 135 S C 2.081 176.579 174.600 -0.170 0.000 1.021 135 S CA 1.419 59.543 58.200 -0.126 0.000 0.974 135 S CB -0.353 62.818 63.200 -0.049 0.000 0.800 135 S HN 0.739 nan 8.310 nan 0.000 0.484 136 A N 0.943 123.683 122.820 -0.133 0.000 1.930 136 A HA 0.392 4.712 4.320 0.001 0.000 0.215 136 A C 2.389 179.875 177.584 -0.163 0.000 1.176 136 A CA 1.453 53.415 52.037 -0.124 0.000 0.632 136 A CB -1.158 17.797 19.000 -0.074 0.000 0.819 136 A HN 0.662 nan 8.150 nan 0.000 0.445 137 A N -0.164 122.544 122.820 -0.186 0.000 1.873 137 A HA 0.027 4.348 4.320 0.001 0.000 0.215 137 A C 2.109 179.532 177.584 -0.268 0.000 1.186 137 A CA 1.382 53.300 52.037 -0.199 0.000 0.616 137 A CB -0.635 18.250 19.000 -0.192 0.000 0.823 137 A HN 0.425 nan 8.150 nan 0.000 0.442 138 L N -0.149 120.826 121.223 -0.413 0.000 2.191 138 L HA -0.141 4.200 4.340 0.001 0.000 0.212 138 L C 2.656 179.129 176.870 -0.661 0.000 1.103 138 L CA 1.343 55.779 54.840 -0.673 0.000 0.769 138 L CB -0.172 41.132 42.059 -1.258 0.000 0.908 138 L HN 0.314 nan 8.230 nan 0.000 0.438 139 S N -0.533 114.879 115.700 -0.480 0.000 2.414 139 S HA 0.033 4.504 4.470 0.001 0.000 0.227 139 S C 1.752 176.253 174.600 -0.164 0.000 1.022 139 S CA 0.700 58.741 58.200 -0.264 0.000 0.958 139 S CB 0.002 63.103 63.200 -0.164 0.000 0.797 139 S HN 0.299 nan 8.310 nan 0.000 0.493 140 L N 0.802 121.932 121.223 -0.155 0.000 2.558 140 L HA 0.183 4.524 4.340 0.001 0.000 0.225 140 L C 2.286 179.114 176.870 -0.070 0.000 1.128 140 L CA 0.185 54.971 54.840 -0.090 0.000 0.868 140 L CB -0.146 41.868 42.059 -0.075 0.000 1.006 140 L HN 0.265 nan 8.230 nan 0.000 0.454 141 S N -0.361 115.268 115.700 -0.118 0.000 2.371 141 S HA -0.012 4.458 4.470 0.001 0.000 0.224 141 S C 1.704 176.300 174.600 -0.007 0.000 1.029 141 S CA 1.420 59.571 58.200 -0.081 0.000 0.978 141 S CB 0.043 63.144 63.200 -0.165 0.000 0.833 141 S HN 0.611 nan 8.310 nan 0.000 0.466 142 G N 0.161 108.924 108.800 -0.061 0.000 2.259 142 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 142 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 142 G C 0.191 174.959 174.900 -0.220 0.000 1.001 142 G CA -0.021 45.107 45.100 0.046 0.000 0.627 142 G HN 0.517 nan 8.290 nan 0.000 0.501 143 I N 4.101 124.307 120.570 -0.606 0.000 2.752 143 I HA 0.176 4.346 4.170 0.001 0.000 0.289 143 I C -1.377 174.450 176.117 -0.483 0.000 1.197 143 I CA -1.319 59.456 61.300 -0.876 0.000 1.432 143 I CB 0.409 37.989 38.000 -0.699 0.000 1.359 143 I HN -0.022 nan 8.210 nan 0.000 0.571 144 P HA -0.075 nan 4.420 nan 0.000 0.253 144 P C -0.855 176.202 177.300 -0.405 0.000 1.159 144 P CA 0.744 63.601 63.100 -0.405 0.000 0.779 144 P CB -0.074 31.263 31.700 -0.604 0.000 0.745 145 F N 3.774 123.446 119.950 -0.463 0.000 2.574 145 F HA 0.298 4.826 4.527 0.002 0.000 0.313 145 F C 0.588 176.179 175.800 -0.350 0.000 1.130 145 F CA -0.767 56.917 58.000 -0.525 0.000 0.936 145 F CB 1.718 40.412 39.000 -0.509 0.000 1.219 145 F HN 0.053 nan 8.300 nan 0.000 0.445 146 N N 3.130 121.420 118.700 -0.683 0.000 2.322 146 N HA 0.148 4.888 4.740 0.001 0.000 0.216 146 N C 0.648 175.941 175.510 -0.361 0.000 1.144 146 N CA 0.198 52.996 53.050 -0.420 0.000 0.830 146 N CB 0.620 38.879 38.487 -0.380 0.000 1.034 146 N HN 0.776 nan 8.380 nan 0.000 0.484 147 G N 1.296 109.919 108.800 -0.296 0.000 2.666 147 G HA2 0.348 4.308 3.960 0.001 0.000 0.207 147 G HA3 0.348 4.308 3.960 0.001 0.000 0.207 147 G C -2.226 172.675 174.900 0.002 0.000 1.481 147 G CA -0.373 44.696 45.100 -0.051 0.000 1.071 147 G HN 0.078 nan 8.290 nan 0.000 0.572 148 P HA 0.466 nan 4.420 nan 0.000 0.281 148 P C -0.544 176.763 177.300 0.011 0.000 1.281 148 P CA -0.558 62.578 63.100 0.059 0.000 0.811 148 P CB 1.044 32.732 31.700 -0.019 0.000 1.154 149 I N -3.353 117.231 120.570 0.024 0.000 2.603 149 I HA 0.835 5.005 4.170 0.001 0.000 0.300 149 I C 0.102 176.198 176.117 -0.034 0.000 1.017 149 I CA -1.005 60.294 61.300 -0.002 0.000 1.098 149 I CB 2.080 40.094 38.000 0.024 0.000 1.279 149 I HN 0.280 nan 8.210 nan 0.000 0.437 150 G N 2.726 111.499 108.800 -0.045 0.000 2.461 150 G HA2 0.773 4.734 3.960 0.001 0.000 0.329 150 G HA3 0.773 4.734 3.960 0.001 0.000 0.329 150 G C -1.272 173.621 174.900 -0.012 0.000 1.170 150 G CA -0.821 44.239 45.100 -0.068 0.000 0.935 150 G HN 1.028 nan 8.290 nan 0.000 0.492 151 A N -0.487 122.335 122.820 0.003 0.000 2.381 151 A HA 0.863 5.184 4.320 0.001 0.000 0.299 151 A C -0.285 177.395 177.584 0.161 0.000 1.049 151 A CA -0.116 51.959 52.037 0.063 0.000 0.715 151 A CB 1.512 20.540 19.000 0.045 0.000 1.222 151 A HN 1.965 nan 8.150 nan 0.000 0.428 152 A N 2.245 125.157 122.820 0.153 0.000 2.374 152 A HA 0.785 5.106 4.320 0.001 0.000 0.305 152 A C -0.335 177.326 177.584 0.128 0.000 1.053 152 A CA -0.623 51.526 52.037 0.188 0.000 0.726 152 A CB 1.084 20.183 19.000 0.164 0.000 1.229 152 A HN 0.852 nan 8.150 nan 0.000 0.431 153 R N 2.246 122.816 120.500 0.117 0.000 2.215 153 R HA 0.543 4.883 4.340 0.001 0.000 0.336 153 R C -1.400 174.982 176.300 0.136 0.000 0.996 153 R CA -0.212 55.947 56.100 0.099 0.000 0.847 153 R CB 0.826 31.168 30.300 0.069 0.000 1.127 153 R HN 0.496 nan 8.270 nan 0.000 0.465 154 V N 3.918 123.927 119.914 0.158 0.000 2.370 154 V HA 0.530 4.651 4.120 0.001 0.000 0.279 154 V C 0.634 176.833 176.094 0.176 0.000 1.029 154 V CA -0.618 61.819 62.300 0.229 0.000 0.870 154 V CB 1.497 33.490 31.823 0.283 0.000 0.984 154 V HN 0.912 nan 8.190 nan 0.000 0.451 155 G N 2.727 111.627 108.800 0.167 0.000 2.448 155 G HA2 0.541 4.502 3.960 0.001 0.000 0.324 155 G HA3 0.541 4.502 3.960 0.001 0.000 0.324 155 G C -1.806 173.171 174.900 0.128 0.000 1.203 155 G CA -0.486 44.687 45.100 0.122 0.000 0.954 155 G HN 0.540 nan 8.290 nan 0.000 0.480 156 Y N 2.361 122.629 120.300 -0.054 0.000 2.587 156 Y HA 0.570 5.121 4.550 0.001 0.000 0.328 156 Y C -0.262 175.557 175.900 -0.136 0.000 0.980 156 Y CA -0.989 57.021 58.100 -0.149 0.000 1.272 156 Y CB 0.609 38.976 38.460 -0.156 0.000 1.094 156 Y HN 0.310 nan 8.280 nan 0.000 0.503 157 I N 5.199 125.560 120.570 -0.349 0.000 2.389 157 I HA 0.238 4.409 4.170 0.001 0.000 0.288 157 I C -0.358 175.531 176.117 -0.380 0.000 0.999 157 I CA -0.945 60.194 61.300 -0.267 0.000 1.129 157 I CB 1.246 39.155 38.000 -0.152 0.000 1.288 157 I HN 0.563 nan 8.210 nan 0.000 0.444 158 N N 5.214 123.733 118.700 -0.301 0.000 2.714 158 N HA -0.208 4.533 4.740 0.001 0.000 0.253 158 N C -0.517 174.764 175.510 -0.382 0.000 1.024 158 N CA 1.010 53.901 53.050 -0.265 0.000 0.726 158 N CB -0.975 37.405 38.487 -0.178 0.000 0.908 158 N HN 0.777 nan 8.380 nan 0.000 0.542 159 D N -1.550 118.498 120.400 -0.586 0.000 2.837 159 D HA -0.198 4.443 4.640 0.001 0.000 0.230 159 D C -0.361 175.464 176.300 -0.792 0.000 1.152 159 D CA 1.193 54.795 54.000 -0.663 0.000 0.736 159 D CB -0.432 40.233 40.800 -0.225 0.000 1.084 159 D HN 0.521 nan 8.370 nan 0.000 0.429 160 Q N -0.613 118.558 119.800 -1.048 0.000 2.345 160 Q HA 0.315 4.655 4.340 0.001 0.000 0.275 160 Q C -0.593 174.940 176.000 -0.777 0.000 1.063 160 Q CA -0.588 54.783 55.803 -0.720 0.000 0.819 160 Q CB 1.262 29.776 28.738 -0.374 0.000 1.356 160 Q HN 0.136 nan 8.270 nan 0.000 0.418 161 Y N 0.211 120.234 120.300 -0.462 0.000 2.335 161 Y HA 0.377 4.927 4.550 0.001 0.000 0.331 161 Y C 0.488 176.103 175.900 -0.474 0.000 1.094 161 Y CA -0.488 57.246 58.100 -0.610 0.000 1.253 161 Y CB 0.947 38.583 38.460 -1.373 0.000 1.203 161 Y HN 0.167 nan 8.280 nan 0.000 0.508 162 V N 5.486 125.359 119.914 -0.068 0.000 2.487 162 V HA 0.230 4.350 4.120 0.001 0.000 0.298 162 V C -0.568 175.662 176.094 0.227 0.000 1.028 162 V CA -0.946 61.398 62.300 0.072 0.000 0.860 162 V CB 1.693 33.522 31.823 0.010 0.000 0.991 162 V HN 0.531 nan 8.190 nan 0.000 0.427 163 L N 5.928 127.327 121.223 0.293 0.000 2.319 163 L HA 0.494 4.835 4.340 0.001 0.000 0.280 163 L C 0.517 177.426 176.870 0.065 0.000 1.099 163 L CA 0.518 55.482 54.840 0.207 0.000 0.828 163 L CB 0.073 42.175 42.059 0.070 0.000 1.150 163 L HN 0.778 nan 8.230 nan 0.000 0.442 164 N N 3.423 122.156 118.700 0.054 0.000 2.586 164 N HA -0.151 4.590 4.740 0.001 0.000 0.282 164 N C -2.451 173.101 175.510 0.070 0.000 1.171 164 N CA 0.365 53.440 53.050 0.041 0.000 0.733 164 N CB -1.112 37.373 38.487 -0.004 0.000 0.910 164 N HN 0.450 nan 8.380 nan 0.000 0.548 165 P HA 0.188 nan 4.420 nan 0.000 0.278 165 P C 0.487 177.817 177.300 0.050 0.000 1.238 165 P CA -0.291 62.842 63.100 0.055 0.000 0.794 165 P CB 0.646 32.373 31.700 0.045 0.000 0.955 166 T N -0.788 113.798 114.554 0.052 0.000 2.754 166 T HA 0.080 4.431 4.350 0.001 0.000 0.286 166 T C 1.289 176.005 174.700 0.027 0.000 0.997 166 T CA -0.459 61.667 62.100 0.043 0.000 0.982 166 T CB 0.347 69.246 68.868 0.053 0.000 1.027 166 T HN 0.261 nan 8.240 nan 0.000 0.529 167 Q N 0.368 120.181 119.800 0.021 0.000 2.124 167 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 167 Q C 1.788 177.797 176.000 0.014 0.000 0.977 167 Q CA 1.609 57.422 55.803 0.017 0.000 0.850 167 Q CB -0.371 28.377 28.738 0.015 0.000 0.901 167 Q HN 0.699 nan 8.270 nan 0.000 0.429 168 D N 0.434 120.843 120.400 0.015 0.000 2.183 168 D HA -0.094 4.547 4.640 0.001 0.000 0.203 168 D C 1.486 177.790 176.300 0.006 0.000 0.969 168 D CA 0.704 54.710 54.000 0.010 0.000 0.842 168 D CB 0.085 40.891 40.800 0.009 0.000 0.957 168 D HN 0.406 nan 8.370 nan 0.000 0.484 169 E N 0.107 120.312 120.200 0.009 0.000 2.285 169 E HA -0.069 4.282 4.350 0.001 0.000 0.194 169 E C 1.919 178.522 176.600 0.005 0.000 0.997 169 E CA -0.059 56.343 56.400 0.004 0.000 0.845 169 E CB 0.136 29.841 29.700 0.008 0.000 0.782 169 E HN 0.079 nan 8.360 nan 0.000 0.491 170 L N 1.543 122.773 121.223 0.011 0.000 2.141 170 L HA -0.128 4.213 4.340 0.001 0.000 0.209 170 L C 1.727 178.600 176.870 0.006 0.000 1.094 170 L CA 1.732 56.580 54.840 0.012 0.000 0.763 170 L CB -0.014 42.054 42.059 0.015 0.000 0.908 170 L HN -0.134 nan 8.230 nan 0.000 0.437 171 K N -0.663 119.740 120.400 0.004 0.000 2.148 171 K HA -0.089 4.231 4.320 0.001 0.000 0.204 171 K C 1.729 178.327 176.600 -0.004 0.000 1.050 171 K CA 1.182 57.470 56.287 0.000 0.000 0.942 171 K CB -0.019 32.482 32.500 0.001 0.000 0.724 171 K HN 0.331 nan 8.250 nan 0.000 0.446 172 E N 0.592 120.788 120.200 -0.007 0.000 2.385 172 E HA 0.011 4.361 4.350 0.001 0.000 0.194 172 E C 0.642 177.232 176.600 -0.016 0.000 1.013 172 E CA 0.143 56.534 56.400 -0.015 0.000 0.866 172 E CB 0.310 29.997 29.700 -0.021 0.000 0.832 172 E HN 0.013 nan 8.360 nan 0.000 0.500 173 S N 0.428 116.124 115.700 -0.007 0.000 2.603 173 S HA 0.061 4.532 4.470 0.001 0.000 0.268 173 S C 0.974 175.585 174.600 0.019 0.000 1.317 173 S CA -0.214 57.988 58.200 0.004 0.000 1.012 173 S CB 1.044 64.255 63.200 0.017 0.000 0.926 173 S HN -0.123 nan 8.310 nan 0.000 0.539 174 K N 1.588 122.019 120.400 0.051 0.000 2.358 174 K HA 0.361 4.682 4.320 0.001 0.000 0.200 174 K C -0.277 176.349 176.600 0.043 0.000 1.030 174 K CA -0.207 56.111 56.287 0.052 0.000 1.097 174 K CB 0.053 32.606 32.500 0.088 0.000 0.862 174 K HN 0.550 nan 8.250 nan 0.000 0.534 175 L N 0.587 121.849 121.223 0.064 0.000 2.472 175 L HA 0.628 4.969 4.340 0.001 0.000 0.260 175 L C -2.309 174.590 176.870 0.049 0.000 0.963 175 L CA -0.497 54.370 54.840 0.044 0.000 0.829 175 L CB 2.540 44.631 42.059 0.053 0.000 1.348 175 L HN -0.055 nan 8.230 nan 0.000 0.408 176 D N 4.028 124.444 120.400 0.026 0.000 2.402 176 D HA 0.524 5.164 4.640 0.001 0.000 0.252 176 D C -1.728 174.582 176.300 0.016 0.000 1.294 176 D CA -0.104 53.912 54.000 0.027 0.000 0.948 176 D CB 0.935 41.742 40.800 0.012 0.000 1.202 176 D HN 0.595 nan 8.370 nan 0.000 0.561 177 L N 1.050 122.294 121.223 0.035 0.000 2.388 177 L HA 0.841 5.182 4.340 0.001 0.000 0.264 177 L C -1.456 175.435 176.870 0.035 0.000 0.998 177 L CA -0.998 53.855 54.840 0.021 0.000 0.817 177 L CB 2.061 44.132 42.059 0.020 0.000 1.338 177 L HN -0.029 nan 8.230 nan 0.000 0.414 178 V N 3.029 122.950 119.914 0.012 0.000 2.384 178 V HA 0.619 4.740 4.120 0.001 0.000 0.287 178 V C -0.334 175.770 176.094 0.016 0.000 1.020 178 V CA -0.592 61.720 62.300 0.020 0.000 0.850 178 V CB 1.571 33.393 31.823 -0.002 0.000 0.987 178 V HN 0.726 nan 8.190 nan 0.000 0.436 179 V N 5.136 125.076 119.914 0.043 0.000 2.459 179 V HA 0.938 5.059 4.120 0.001 0.000 0.295 179 V C 0.059 176.184 176.094 0.052 0.000 1.029 179 V CA -0.094 62.232 62.300 0.043 0.000 0.874 179 V CB 1.548 33.411 31.823 0.066 0.000 0.985 179 V HN 1.077 nan 8.190 nan 0.000 0.438 180 A N 4.664 127.506 122.820 0.037 0.000 2.374 180 A HA 1.017 5.338 4.320 0.001 0.000 0.305 180 A C -0.099 177.516 177.584 0.051 0.000 1.053 180 A CA 0.104 52.165 52.037 0.041 0.000 0.726 180 A CB 1.701 20.711 19.000 0.017 0.000 1.229 180 A HN 1.782 nan 8.150 nan 0.000 0.431 181 G N 0.104 108.957 108.800 0.088 0.000 2.576 181 G HA2 0.651 4.612 3.960 0.001 0.000 0.290 181 G HA3 0.651 4.612 3.960 0.001 0.000 0.290 181 G C -0.256 174.702 174.900 0.097 0.000 1.442 181 G CA 0.268 45.433 45.100 0.108 0.000 0.792 181 G HN 1.248 nan 8.290 nan 0.000 0.491 182 T N -2.247 112.355 114.554 0.081 0.000 2.865 182 T HA 0.374 4.724 4.350 0.001 0.000 0.302 182 T C 1.258 175.980 174.700 0.036 0.000 1.078 182 T CA 0.512 62.626 62.100 0.023 0.000 0.942 182 T CB 1.292 70.143 68.868 -0.028 0.000 1.387 182 T HN 0.615 nan 8.240 nan 0.000 0.557 183 E N -0.114 120.071 120.200 -0.024 0.000 2.150 183 E HA -0.044 4.306 4.350 0.001 0.000 0.193 183 E C 2.045 178.648 176.600 0.005 0.000 0.985 183 E CA 0.875 57.243 56.400 -0.053 0.000 0.814 183 E CB -0.383 29.278 29.700 -0.064 0.000 0.752 183 E HN 0.692 nan 8.360 nan 0.000 0.466 184 A N 0.596 123.439 122.820 0.038 0.000 1.887 184 A HA 0.515 4.836 4.320 0.001 0.000 0.210 184 A C 1.001 178.639 177.584 0.089 0.000 1.221 184 A CA 0.729 52.793 52.037 0.045 0.000 0.635 184 A CB 0.175 19.174 19.000 -0.003 0.000 0.881 184 A HN 0.287 nan 8.150 nan 0.000 0.456 185 A N -1.370 121.488 122.820 0.063 0.000 2.527 185 A HA 0.622 4.942 4.320 0.001 0.000 0.293 185 A C -0.623 176.890 177.584 -0.118 0.000 1.117 185 A CA -0.428 51.568 52.037 -0.068 0.000 0.723 185 A CB 0.717 19.668 19.000 -0.082 0.000 1.313 185 A HN 0.453 nan 8.150 nan 0.000 0.411 186 V N 0.724 120.446 119.914 -0.320 0.000 2.834 186 V HA 0.308 4.429 4.120 0.001 0.000 0.301 186 V C 0.792 176.827 176.094 -0.098 0.000 1.066 186 V CA 0.087 62.246 62.300 -0.235 0.000 1.052 186 V CB 1.028 32.678 31.823 -0.288 0.000 1.021 186 V HN 0.822 nan 8.190 nan 0.000 0.480 187 L N 2.227 123.419 121.223 -0.053 0.000 2.758 187 L HA 0.511 4.852 4.340 0.001 0.000 0.234 187 L C 0.548 177.399 176.870 -0.032 0.000 1.049 187 L CA 0.716 55.533 54.840 -0.039 0.000 0.908 187 L CB 0.501 42.538 42.059 -0.037 0.000 1.362 187 L HN 0.695 nan 8.230 nan 0.000 0.499 188 M N 0.492 120.074 119.600 -0.030 0.000 2.277 188 M HA 0.722 5.202 4.480 0.001 0.000 0.282 188 M C -1.782 174.492 176.300 -0.043 0.000 1.074 188 M CA -0.459 54.818 55.300 -0.038 0.000 0.954 188 M CB 1.638 34.219 32.600 -0.030 0.000 1.672 188 M HN -0.214 nan 8.290 nan 0.000 0.471 189 V N 1.920 121.793 119.914 -0.069 0.000 2.577 189 V HA 0.823 4.944 4.120 0.001 0.000 0.303 189 V C -0.807 175.228 176.094 -0.098 0.000 1.042 189 V CA -0.759 61.496 62.300 -0.074 0.000 0.872 189 V CB 1.803 33.575 31.823 -0.085 0.000 0.998 189 V HN 1.091 nan 8.190 nan 0.000 0.423 190 E N 3.292 123.446 120.200 -0.078 0.000 2.199 190 E HA 0.768 5.119 4.350 0.001 0.000 0.265 190 E C -0.627 175.931 176.600 -0.070 0.000 0.882 190 E CA -0.232 56.115 56.400 -0.088 0.000 0.759 190 E CB 2.051 31.701 29.700 -0.083 0.000 1.148 190 E HN 0.848 nan 8.360 nan 0.000 0.412 191 S N 2.811 118.462 115.700 -0.082 0.000 2.595 191 S HA 0.793 5.264 4.470 0.001 0.000 0.281 191 S C -1.208 173.352 174.600 -0.066 0.000 1.117 191 S CA -0.952 57.209 58.200 -0.064 0.000 0.873 191 S CB 1.422 64.581 63.200 -0.068 0.000 1.108 191 S HN 0.512 nan 8.310 nan 0.000 0.477 192 E N 0.467 120.637 120.200 -0.050 0.000 2.307 192 E HA 0.699 5.050 4.350 0.001 0.000 0.280 192 E C -0.996 175.578 176.600 -0.043 0.000 0.900 192 E CA -1.284 55.084 56.400 -0.053 0.000 0.790 192 E CB 1.451 31.121 29.700 -0.049 0.000 1.261 192 E HN 0.941 nan 8.360 nan 0.000 0.405 193 A N 2.765 125.553 122.820 -0.054 0.000 2.530 193 A HA 0.472 4.793 4.320 0.001 0.000 0.288 193 A C -0.714 176.837 177.584 -0.055 0.000 1.172 193 A CA -0.861 51.145 52.037 -0.051 0.000 0.733 193 A CB 1.851 20.811 19.000 -0.067 0.000 1.320 193 A HN 0.615 nan 8.150 nan 0.000 0.419 194 Q N 0.809 120.580 119.800 -0.048 0.000 2.936 194 Q HA 0.482 4.823 4.340 0.001 0.000 0.383 194 Q C -1.192 174.778 176.000 -0.051 0.000 1.167 194 Q CA -0.267 55.508 55.803 -0.048 0.000 1.038 194 Q CB -0.243 28.476 28.738 -0.032 0.000 1.409 194 Q HN 0.570 nan 8.270 nan 0.000 0.448 195 L N 0.997 122.184 121.223 -0.059 0.000 3.634 195 L HA -0.258 4.083 4.340 0.001 0.000 0.647 195 L C -0.799 176.034 176.870 -0.061 0.000 1.199 195 L CA 0.243 55.049 54.840 -0.056 0.000 1.027 195 L CB -1.434 40.597 42.059 -0.047 0.000 1.511 195 L HN 0.484 nan 8.230 nan 0.000 0.855 196 L N 0.123 121.297 121.223 -0.082 0.000 2.332 196 L HA 0.641 4.981 4.340 0.001 0.000 0.269 196 L C 1.038 177.857 176.870 -0.084 0.000 1.016 196 L CA -0.548 54.226 54.840 -0.109 0.000 0.809 196 L CB 1.830 43.769 42.059 -0.200 0.000 1.280 196 L HN 0.512 nan 8.230 nan 0.000 0.447 197 S N -0.473 115.178 115.700 -0.082 0.000 2.600 197 S HA 0.096 4.567 4.470 0.001 0.000 0.265 197 S C 0.651 175.228 174.600 -0.039 0.000 1.325 197 S CA -0.516 57.656 58.200 -0.047 0.000 1.002 197 S CB 1.097 64.277 63.200 -0.033 0.000 0.921 197 S HN 0.629 nan 8.310 nan 0.000 0.554 198 E N 0.727 120.921 120.200 -0.011 0.000 2.153 198 E HA -0.096 4.255 4.350 0.001 0.000 0.194 198 E C 1.347 177.954 176.600 0.012 0.000 0.988 198 E CA 1.463 57.867 56.400 0.008 0.000 0.811 198 E CB -0.184 29.528 29.700 0.020 0.000 0.746 198 E HN 0.639 nan 8.360 nan 0.000 0.466 199 D N 0.359 120.766 120.400 0.011 0.000 2.144 199 D HA -0.127 4.514 4.640 0.001 0.000 0.200 199 D C 1.764 178.091 176.300 0.045 0.000 0.978 199 D CA 0.902 54.920 54.000 0.029 0.000 0.833 199 D CB -0.068 40.752 40.800 0.033 0.000 0.961 199 D HN 0.308 nan 8.370 nan 0.000 0.470 200 Q N -0.534 119.266 119.800 0.001 0.000 2.187 200 Q HA 0.016 4.356 4.340 0.001 0.000 0.199 200 Q C 2.100 178.087 176.000 -0.021 0.000 0.957 200 Q CA 0.612 56.394 55.803 -0.035 0.000 0.857 200 Q CB 0.138 28.704 28.738 -0.287 0.000 0.929 200 Q HN 0.191 nan 8.270 nan 0.000 0.453 201 M N 0.068 119.645 119.600 -0.039 0.000 2.156 201 M HA -0.069 4.411 4.480 0.001 0.000 0.264 201 M C 2.138 178.449 176.300 0.018 0.000 1.067 201 M CA 1.139 56.424 55.300 -0.024 0.000 1.131 201 M CB -0.669 31.916 32.600 -0.026 0.000 1.368 201 M HN 0.255 nan 8.290 nan 0.000 0.416 202 L N -0.151 121.091 121.223 0.032 0.000 2.109 202 L HA -0.013 4.327 4.340 0.001 0.000 0.207 202 L C 2.305 179.185 176.870 0.018 0.000 1.086 202 L CA 1.165 56.027 54.840 0.037 0.000 0.760 202 L CB -0.641 41.443 42.059 0.040 0.000 0.910 202 L HN 0.343 nan 8.230 nan 0.000 0.437 203 G N -0.991 107.822 108.800 0.021 0.000 2.448 203 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 203 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 203 G C 1.572 176.333 174.900 -0.232 0.000 1.127 203 G CA 0.657 45.727 45.100 -0.049 0.000 0.766 203 G HN 0.531 nan 8.290 nan 0.000 0.552 204 A N 0.090 122.850 122.820 -0.101 0.000 1.968 204 A HA 0.194 4.515 4.320 0.001 0.000 0.217 204 A C 2.523 180.132 177.584 0.042 0.000 1.169 204 A CA 1.477 53.483 52.037 -0.052 0.000 0.638 204 A CB -0.284 18.815 19.000 0.166 0.000 0.812 204 A HN 0.228 nan 8.150 nan 0.000 0.446 205 V N -0.371 119.559 119.914 0.027 0.000 2.379 205 V HA -0.181 3.940 4.120 0.001 0.000 0.245 205 V C 2.500 178.623 176.094 0.048 0.000 1.044 205 V CA 1.873 64.194 62.300 0.035 0.000 1.036 205 V CB -0.682 31.148 31.823 0.012 0.000 0.664 205 V HN 0.360 nan 8.190 nan 0.000 0.453 206 V N -0.525 119.405 119.914 0.027 0.000 2.453 206 V HA -0.208 3.913 4.120 0.001 0.000 0.247 206 V C 2.154 178.284 176.094 0.060 0.000 1.048 206 V CA 2.034 64.362 62.300 0.046 0.000 1.049 206 V CB -0.783 31.051 31.823 0.018 0.000 0.672 206 V HN 0.542 nan 8.190 nan 0.000 0.457 207 F N 2.361 122.222 119.950 -0.149 0.000 2.069 207 F HA -0.083 4.445 4.527 0.001 0.000 0.298 207 F C 2.210 177.983 175.800 -0.046 0.000 1.113 207 F CA 1.950 59.849 58.000 -0.169 0.000 1.214 207 F CB -0.843 37.919 39.000 -0.397 0.000 0.978 207 F HN 0.141 nan 8.300 nan 0.000 0.474 208 G N -1.327 107.484 108.800 0.018 0.000 2.408 208 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 208 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 208 G C 1.771 176.665 174.900 -0.011 0.000 1.150 208 G CA 0.852 45.940 45.100 -0.021 0.000 0.776 208 G HN 0.576 nan 8.290 nan 0.000 0.542 209 H N 0.664 119.699 119.070 -0.058 0.000 2.423 209 H HA 0.053 4.610 4.556 0.001 0.000 0.297 209 H C 2.173 177.457 175.328 -0.074 0.000 1.075 209 H CA 1.426 57.444 56.048 -0.051 0.000 1.342 209 H CB 0.230 29.970 29.762 -0.038 0.000 1.395 209 H HN 0.447 nan 8.280 nan 0.000 0.530 210 E N -0.202 119.909 120.200 -0.149 0.000 2.216 210 E HA -0.096 4.255 4.350 0.001 0.000 0.192 210 E C 2.242 178.716 176.600 -0.209 0.000 0.988 210 E CA 0.207 56.489 56.400 -0.198 0.000 0.834 210 E CB 0.305 29.927 29.700 -0.130 0.000 0.772 210 E HN 0.457 nan 8.360 nan 0.000 0.479 211 Q N 0.331 119.986 119.800 -0.242 0.000 2.269 211 Q HA -0.110 4.230 4.340 0.001 0.000 0.201 211 Q C 1.936 177.968 176.000 0.053 0.000 0.946 211 Q CA 0.878 56.581 55.803 -0.167 0.000 0.877 211 Q CB 0.155 28.685 28.738 -0.347 0.000 0.963 211 Q HN 0.494 nan 8.270 nan 0.000 0.472 212 Q N -0.563 119.237 119.800 -0.001 0.000 2.444 212 Q HA -0.012 4.328 4.340 0.001 0.000 0.206 212 Q C 1.378 177.292 176.000 -0.143 0.000 0.948 212 Q CA 0.285 56.081 55.803 -0.011 0.000 0.946 212 Q CB 0.141 28.872 28.738 -0.012 0.000 1.027 212 Q HN 0.108 nan 8.270 nan 0.000 0.513 213 Q N 0.958 120.660 119.800 -0.163 0.000 2.224 213 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 213 Q C 2.367 178.262 176.000 -0.174 0.000 0.970 213 Q CA 1.792 57.481 55.803 -0.190 0.000 0.865 213 Q CB -0.099 28.524 28.738 -0.191 0.000 0.922 213 Q HN 0.576 nan 8.270 nan 0.000 0.445 214 V N -2.587 117.248 119.914 -0.133 0.000 2.626 214 V HA -0.109 4.012 4.120 0.001 0.000 0.252 214 V C 2.212 178.083 176.094 -0.372 0.000 1.067 214 V CA 1.069 63.276 62.300 -0.155 0.000 1.081 214 V CB -0.919 30.911 31.823 0.012 0.000 0.686 214 V HN 0.016 nan 8.190 nan 0.000 0.468 215 V N 0.715 120.393 119.914 -0.394 0.000 2.407 215 V HA -0.101 4.019 4.120 0.001 0.000 0.245 215 V C 2.479 178.315 176.094 -0.430 0.000 1.041 215 V CA 2.132 64.109 62.300 -0.538 0.000 1.040 215 V CB -0.587 30.992 31.823 -0.407 0.000 0.671 215 V HN 0.452 nan 8.190 nan 0.000 0.455 216 I N -0.035 120.362 120.570 -0.289 0.000 2.286 216 I HA -0.288 3.883 4.170 0.001 0.000 0.248 216 I C 2.645 178.631 176.117 -0.219 0.000 1.115 216 I CA 1.526 62.699 61.300 -0.212 0.000 1.392 216 I CB -0.494 37.409 38.000 -0.162 0.000 1.065 216 I HN 0.339 nan 8.210 nan 0.000 0.418 217 Q N 0.533 120.185 119.800 -0.248 0.000 2.124 217 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 217 Q C 1.941 177.786 176.000 -0.257 0.000 0.977 217 Q CA 1.239 56.911 55.803 -0.218 0.000 0.850 217 Q CB -0.120 28.500 28.738 -0.196 0.000 0.901 217 Q HN 0.546 nan 8.270 nan 0.000 0.429 218 N N 0.193 118.643 118.700 -0.416 0.000 2.376 218 N HA -0.009 4.732 4.740 0.001 0.000 0.177 218 N C 1.745 177.086 175.510 -0.282 0.000 1.024 218 N CA 0.737 53.523 53.050 -0.440 0.000 0.893 218 N CB 0.200 38.129 38.487 -0.930 0.000 0.980 218 N HN 0.251 nan 8.380 nan 0.000 0.439 219 I N 1.325 121.738 120.570 -0.261 0.000 2.286 219 I HA -0.181 3.989 4.170 0.001 0.000 0.245 219 I C 1.898 177.944 176.117 -0.118 0.000 1.104 219 I CA 0.709 61.916 61.300 -0.154 0.000 1.397 219 I CB -0.219 37.699 38.000 -0.137 0.000 1.072 219 I HN 0.025 nan 8.210 nan 0.000 0.417 220 N N 0.738 119.364 118.700 -0.124 0.000 2.149 220 N HA -0.175 4.565 4.740 0.001 0.000 0.188 220 N C 1.733 177.196 175.510 -0.078 0.000 1.019 220 N CA 1.199 54.194 53.050 -0.092 0.000 0.857 220 N CB -0.151 38.281 38.487 -0.092 0.000 0.997 220 N HN 0.356 nan 8.380 nan 0.000 0.426 221 E N 0.671 120.817 120.200 -0.092 0.000 2.152 221 E HA -0.093 4.258 4.350 0.001 0.000 0.192 221 E C 1.996 178.565 176.600 -0.051 0.000 0.983 221 E CA 0.205 56.563 56.400 -0.069 0.000 0.818 221 E CB -0.269 29.384 29.700 -0.078 0.000 0.758 221 E HN 0.250 nan 8.360 nan 0.000 0.467 222 L N 0.500 121.689 121.223 -0.057 0.000 2.109 222 L HA -0.089 4.251 4.340 0.001 0.000 0.207 222 L C 2.153 179.004 176.870 -0.032 0.000 1.086 222 L CA 1.080 55.899 54.840 -0.036 0.000 0.760 222 L CB -0.252 41.787 42.059 -0.034 0.000 0.910 222 L HN -0.131 nan 8.230 nan 0.000 0.437 223 V N -0.256 119.632 119.914 -0.043 0.000 2.427 223 V HA -0.223 3.898 4.120 0.001 0.000 0.248 223 V C 2.612 178.691 176.094 -0.024 0.000 1.051 223 V CA 1.782 64.061 62.300 -0.036 0.000 1.048 223 V CB -0.683 31.113 31.823 -0.045 0.000 0.666 223 V HN 0.437 nan 8.190 nan 0.000 0.456 224 K N 0.618 121.001 120.400 -0.028 0.000 2.097 224 K HA -0.136 4.185 4.320 0.001 0.000 0.205 224 K C 1.954 178.546 176.600 -0.013 0.000 1.050 224 K CA 1.499 57.774 56.287 -0.020 0.000 0.938 224 K CB -0.209 32.275 32.500 -0.026 0.000 0.718 224 K HN 0.569 nan 8.250 nan 0.000 0.442 225 E N -0.646 119.545 120.200 -0.014 0.000 2.001 225 E HA -0.012 4.338 4.350 0.001 0.000 0.193 225 E C -0.303 176.297 176.600 -0.001 0.000 0.994 225 E CA 1.179 57.575 56.400 -0.007 0.000 0.815 225 E CB 0.007 29.703 29.700 -0.006 0.000 0.770 225 E HN 0.268 nan 8.360 nan 0.000 0.453 226 A N 0.638 123.457 122.820 -0.001 0.000 2.530 226 A HA 0.613 4.933 4.320 0.001 0.000 0.279 226 A C -0.443 177.143 177.584 0.003 0.000 1.109 226 A CA -0.046 51.993 52.037 0.004 0.000 0.763 226 A CB 1.484 20.489 19.000 0.008 0.000 1.257 226 A HN 0.223 nan 8.150 nan 0.000 0.424 227 G N 0.948 109.752 108.800 0.006 0.000 2.704 227 G HA2 0.545 4.505 3.960 0.001 0.000 0.293 227 G HA3 0.545 4.505 3.960 0.001 0.000 0.293 227 G C -1.111 173.803 174.900 0.023 0.000 1.421 227 G CA -0.846 44.257 45.100 0.006 0.000 0.870 227 G HN 0.588 nan 8.290 nan 0.000 0.492 228 K N 1.423 121.844 120.400 0.036 0.000 2.412 228 K HA 0.264 4.584 4.320 0.001 0.000 0.281 228 K C -2.076 174.575 176.600 0.085 0.000 1.027 228 K CA -0.869 55.460 56.287 0.070 0.000 0.989 228 K CB 0.832 33.394 32.500 0.103 0.000 0.935 228 K HN 0.207 nan 8.250 nan 0.000 0.475 229 P HA 0.027 nan 4.420 nan 0.000 0.270 229 P C -0.509 176.890 177.300 0.166 0.000 1.223 229 P CA -0.238 62.922 63.100 0.099 0.000 0.785 229 P CB 0.524 32.272 31.700 0.079 0.000 0.923 230 R N 1.071 121.658 120.500 0.146 0.000 2.570 230 R HA 0.029 4.370 4.340 0.001 0.000 0.277 230 R C -0.090 176.400 176.300 0.317 0.000 1.039 230 R CA 0.150 56.367 56.100 0.194 0.000 1.065 230 R CB -0.142 30.235 30.300 0.128 0.000 0.964 230 R HN 0.534 nan 8.270 nan 0.000 0.428 231 W N 1.447 122.793 121.300 0.078 0.000 2.170 231 W HA -0.072 4.589 4.660 0.001 0.000 0.342 231 W C 0.877 177.501 176.519 0.176 0.000 1.294 231 W CA -0.105 57.317 57.345 0.128 0.000 1.246 231 W CB 0.062 29.618 29.460 0.160 0.000 1.156 231 W HN 0.438 nan 8.180 nan 0.000 0.572 232 D N 2.987 123.557 120.400 0.283 0.000 2.489 232 D HA 0.010 4.651 4.640 0.001 0.000 0.237 232 D C -1.143 175.363 176.300 0.344 0.000 1.212 232 D CA 0.034 54.167 54.000 0.221 0.000 1.058 232 D CB -0.532 40.319 40.800 0.085 0.000 1.098 232 D HN 0.277 nan 8.370 nan 0.000 0.509 233 W N 3.804 125.226 121.300 0.203 0.000 2.683 233 W HA 0.397 5.058 4.660 0.002 0.000 0.329 233 W C -1.354 175.255 176.519 0.149 0.000 1.037 233 W CA -0.659 56.821 57.345 0.226 0.000 1.232 233 W CB 1.276 30.942 29.460 0.344 0.000 1.390 233 W HN 0.039 nan 8.180 nan 0.000 0.465 234 Q N 5.803 125.230 119.800 -0.622 0.000 2.356 234 Q HA 0.398 4.738 4.340 0.001 0.000 0.270 234 Q C -2.256 173.055 176.000 -1.148 0.000 1.058 234 Q CA -1.935 53.474 55.803 -0.657 0.000 0.802 234 Q CB 1.902 30.459 28.738 -0.302 0.000 1.303 234 Q HN 0.324 nan 8.270 nan 0.000 0.444 235 P HA 0.033 nan 4.420 nan 0.000 0.272 235 P C -0.438 176.667 177.300 -0.325 0.000 1.230 235 P CA -0.271 62.444 63.100 -0.640 0.000 0.788 235 P CB 0.606 32.163 31.700 -0.237 0.000 0.949 236 E N 2.315 122.407 120.200 -0.179 0.000 2.498 236 E HA 0.048 4.399 4.350 0.001 0.000 0.252 236 E C -1.828 174.728 176.600 -0.073 0.000 1.025 236 E CA -0.957 55.384 56.400 -0.099 0.000 0.938 236 E CB -0.885 28.794 29.700 -0.034 0.000 0.947 236 E HN 0.314 nan 8.360 nan 0.000 0.478 237 P HA -0.062 nan 4.420 nan 0.000 0.264 237 P C -0.400 176.883 177.300 -0.028 0.000 1.183 237 P CA -0.105 62.964 63.100 -0.052 0.000 0.763 237 P CB 0.287 31.958 31.700 -0.048 0.000 0.807 238 V N 0.528 120.429 119.914 -0.021 0.000 2.403 238 V HA 0.138 4.259 4.120 0.001 0.000 0.265 238 V C 0.492 176.582 176.094 -0.007 0.000 1.034 238 V CA -0.495 61.800 62.300 -0.008 0.000 1.036 238 V CB -0.393 31.428 31.823 -0.004 0.000 1.032 238 V HN 0.395 nan 8.190 nan 0.000 0.478 239 N N 4.180 122.878 118.700 -0.003 0.000 2.482 239 N HA 0.181 4.922 4.740 0.001 0.000 0.242 239 N C 0.935 176.446 175.510 0.001 0.000 1.100 239 N CA -0.061 52.988 53.050 -0.002 0.000 0.946 239 N CB 0.719 39.206 38.487 -0.001 0.000 1.227 239 N HN 0.764 nan 8.380 nan 0.000 0.508 240 E N 1.630 121.830 120.200 0.000 0.000 2.208 240 E HA -0.101 4.250 4.350 0.001 0.000 0.193 240 E C 1.324 177.925 176.600 0.002 0.000 0.988 240 E CA 0.876 57.276 56.400 0.001 0.000 0.828 240 E CB 0.127 29.827 29.700 -0.000 0.000 0.763 240 E HN 0.703 nan 8.360 nan 0.000 0.478 241 A N 0.962 123.783 122.820 0.001 0.000 1.968 241 A HA -0.079 4.242 4.320 0.001 0.000 0.217 241 A C 2.082 179.668 177.584 0.004 0.000 1.169 241 A CA 0.650 52.688 52.037 0.002 0.000 0.638 241 A CB -0.304 18.697 19.000 0.001 0.000 0.812 241 A HN 0.219 nan 8.150 nan 0.000 0.446 242 L N -0.568 120.657 121.223 0.005 0.000 2.095 242 L HA -0.088 4.252 4.340 0.001 0.000 0.204 242 L C 1.921 178.797 176.870 0.010 0.000 1.080 242 L CA 1.201 56.045 54.840 0.007 0.000 0.759 242 L CB -0.242 41.822 42.059 0.008 0.000 0.914 242 L HN 0.292 nan 8.230 nan 0.000 0.439 243 N N 0.279 118.985 118.700 0.010 0.000 2.244 243 N HA -0.106 4.634 4.740 0.001 0.000 0.183 243 N C 1.680 177.195 175.510 0.009 0.000 1.016 243 N CA 1.287 54.344 53.050 0.011 0.000 0.866 243 N CB -0.296 38.197 38.487 0.011 0.000 0.980 243 N HN 0.418 nan 8.380 nan 0.000 0.430 244 A N 0.397 123.221 122.820 0.007 0.000 1.970 244 A HA 0.007 4.327 4.320 0.001 0.000 0.216 244 A C 2.200 179.788 177.584 0.006 0.000 1.170 244 A CA 0.853 52.893 52.037 0.005 0.000 0.645 244 A CB -0.253 18.750 19.000 0.004 0.000 0.816 244 A HN 0.154 nan 8.150 nan 0.000 0.447 245 R N -0.655 119.849 120.500 0.007 0.000 2.153 245 R HA 0.023 4.364 4.340 0.001 0.000 0.218 245 R C 1.660 177.966 176.300 0.009 0.000 1.072 245 R CA 1.070 57.174 56.100 0.007 0.000 0.990 245 R CB -0.075 30.229 30.300 0.007 0.000 0.889 245 R HN 0.336 nan 8.270 nan 0.000 0.452 246 V N 0.289 120.210 119.914 0.011 0.000 2.407 246 V HA -0.076 4.045 4.120 0.001 0.000 0.245 246 V C 2.252 178.354 176.094 0.014 0.000 1.041 246 V CA 1.683 63.992 62.300 0.014 0.000 1.040 246 V CB -0.272 31.562 31.823 0.019 0.000 0.671 246 V HN 0.422 nan 8.190 nan 0.000 0.455 247 A N 0.140 122.967 122.820 0.012 0.000 2.070 247 A HA -0.068 4.252 4.320 0.001 0.000 0.220 247 A C 2.299 179.888 177.584 0.008 0.000 1.159 247 A CA 1.785 53.828 52.037 0.010 0.000 0.656 247 A CB -0.540 18.464 19.000 0.006 0.000 0.800 247 A HN 0.561 nan 8.150 nan 0.000 0.453 248 A N -1.404 121.420 122.820 0.008 0.000 2.066 248 A HA 0.238 4.559 4.320 0.001 0.000 0.218 248 A C 1.685 179.274 177.584 0.008 0.000 1.157 248 A CA 1.280 53.322 52.037 0.007 0.000 0.670 248 A CB -0.189 18.814 19.000 0.006 0.000 0.804 248 A HN 0.413 nan 8.150 nan 0.000 0.453 249 L N -2.653 118.576 121.223 0.010 0.000 2.817 249 L HA 0.402 4.742 4.340 0.001 0.000 0.248 249 L C 2.047 178.925 176.870 0.013 0.000 1.133 249 L CA 1.041 55.888 54.840 0.011 0.000 0.935 249 L CB 0.432 42.498 42.059 0.011 0.000 1.266 249 L HN 0.292 nan 8.230 nan 0.000 0.535 250 A N -0.956 121.873 122.820 0.015 0.000 2.016 250 A HA 0.065 4.385 4.320 0.001 0.000 0.202 250 A C 1.996 179.593 177.584 0.021 0.000 1.632 250 A CA 0.398 52.447 52.037 0.020 0.000 0.891 250 A CB -0.256 18.758 19.000 0.024 0.000 1.103 250 A HN 0.204 nan 8.150 nan 0.000 0.547 251 E N 0.519 120.729 120.200 0.017 0.000 2.171 251 E HA -0.209 4.142 4.350 0.001 0.000 0.197 251 E C 1.965 178.575 176.600 0.016 0.000 0.997 251 E CA 1.335 57.743 56.400 0.014 0.000 0.810 251 E CB -0.180 29.523 29.700 0.006 0.000 0.738 251 E HN 0.535 nan 8.360 nan 0.000 0.467 252 A N 1.094 123.922 122.820 0.014 0.000 1.873 252 A HA -0.130 4.191 4.320 0.001 0.000 0.215 252 A C 2.171 179.765 177.584 0.017 0.000 1.186 252 A CA 1.358 53.403 52.037 0.013 0.000 0.616 252 A CB -0.325 18.681 19.000 0.009 0.000 0.823 252 A HN 0.159 nan 8.150 nan 0.000 0.442 253 R N -0.752 119.758 120.500 0.018 0.000 2.153 253 R HA 0.148 4.488 4.340 0.001 0.000 0.218 253 R C 1.898 178.214 176.300 0.027 0.000 1.072 253 R CA 0.756 56.866 56.100 0.016 0.000 0.990 253 R CB -0.351 29.955 30.300 0.010 0.000 0.889 253 R HN 0.480 nan 8.270 nan 0.000 0.452 254 L N 0.066 121.317 121.223 0.046 0.000 2.201 254 L HA -0.102 4.239 4.340 0.001 0.000 0.212 254 L C 2.516 179.470 176.870 0.141 0.000 1.105 254 L CA 0.819 55.718 54.840 0.097 0.000 0.775 254 L CB -0.294 41.825 42.059 0.101 0.000 0.913 254 L HN 0.147 nan 8.230 nan 0.000 0.440 255 S N -0.210 115.537 115.700 0.078 0.000 2.383 255 S HA -0.169 4.302 4.470 0.001 0.000 0.227 255 S C 1.495 176.136 174.600 0.069 0.000 1.026 255 S CA 1.450 59.690 58.200 0.068 0.000 0.981 255 S CB -0.082 63.137 63.200 0.031 0.000 0.818 255 S HN 0.406 nan 8.310 nan 0.000 0.472 256 D N 1.136 121.563 120.400 0.045 0.000 2.234 256 D HA 0.199 4.840 4.640 0.001 0.000 0.205 256 D C 2.062 178.368 176.300 0.010 0.000 0.962 256 D CA 0.961 54.976 54.000 0.025 0.000 0.855 256 D CB -0.437 40.370 40.800 0.010 0.000 0.951 256 D HN 0.446 nan 8.370 nan 0.000 0.500 257 A N -0.111 122.710 122.820 0.002 0.000 1.930 257 A HA -0.157 4.163 4.320 0.001 0.000 0.217 257 A C 1.179 178.644 177.584 -0.199 0.000 1.175 257 A CA 0.895 52.869 52.037 -0.106 0.000 0.627 257 A CB -0.725 18.186 19.000 -0.147 0.000 0.815 257 A HN 0.264 nan 8.150 nan 0.000 0.443 258 Y N -1.100 119.174 120.300 -0.043 0.000 2.645 258 Y HA 0.275 4.826 4.550 0.001 0.000 0.307 258 Y C 1.985 177.871 175.900 -0.023 0.000 1.151 258 Y CA 0.123 58.198 58.100 -0.041 0.000 1.291 258 Y CB 0.036 38.468 38.460 -0.048 0.000 1.135 258 Y HN 0.287 nan 8.280 nan 0.000 0.523 259 R N 0.456 120.996 120.500 0.067 0.000 2.221 259 R HA 0.189 4.529 4.340 0.001 0.000 0.195 259 R C 0.601 176.914 176.300 0.023 0.000 0.956 259 R CA 0.104 56.232 56.100 0.046 0.000 1.064 259 R CB 0.288 30.608 30.300 0.032 0.000 1.049 259 R HN 0.337 nan 8.270 nan 0.000 0.534 260 I N 0.269 120.838 120.570 -0.002 0.000 2.696 260 I HA 0.080 4.251 4.170 0.001 0.000 0.284 260 I C 1.287 177.406 176.117 0.003 0.000 1.129 260 I CA -0.154 61.142 61.300 -0.006 0.000 1.410 260 I CB 1.480 39.466 38.000 -0.022 0.000 1.399 260 I HN 0.020 nan 8.210 nan 0.000 0.579 261 T N 0.247 114.809 114.554 0.013 0.000 2.852 261 T HA -0.055 4.296 4.350 0.001 0.000 0.256 261 T C 0.672 175.392 174.700 0.033 0.000 1.038 261 T CA 0.473 62.589 62.100 0.025 0.000 1.141 261 T CB -0.418 68.464 68.868 0.023 0.000 0.869 261 T HN 0.766 nan 8.240 nan 0.000 0.439 262 D N 1.363 121.779 120.400 0.027 0.000 2.455 262 D HA 0.120 4.761 4.640 0.001 0.000 0.241 262 D C 1.095 177.430 176.300 0.058 0.000 1.138 262 D CA 0.045 54.067 54.000 0.037 0.000 0.877 262 D CB 1.040 41.856 40.800 0.026 0.000 1.187 262 D HN 0.302 nan 8.370 nan 0.000 0.451 263 K N 2.368 122.819 120.400 0.085 0.000 2.103 263 K HA -0.145 4.176 4.320 0.001 0.000 0.204 263 K C 1.621 178.324 176.600 0.172 0.000 1.052 263 K CA 0.957 57.337 56.287 0.155 0.000 0.945 263 K CB 0.143 32.725 32.500 0.137 0.000 0.722 263 K HN 0.555 nan 8.250 nan 0.000 0.443 264 Q N 0.366 120.219 119.800 0.089 0.000 2.050 264 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 264 Q C 1.869 177.914 176.000 0.076 0.000 0.980 264 Q CA 1.975 57.818 55.803 0.068 0.000 0.840 264 Q CB 0.047 28.805 28.738 0.033 0.000 0.898 264 Q HN 0.541 nan 8.270 nan 0.000 0.424 265 E N 0.050 120.280 120.200 0.051 0.000 2.371 265 E HA -0.112 4.239 4.350 0.001 0.000 0.194 265 E C 1.882 178.485 176.600 0.005 0.000 1.012 265 E CA 0.181 56.596 56.400 0.026 0.000 0.860 265 E CB -0.035 29.671 29.700 0.010 0.000 0.811 265 E HN 0.135 nan 8.360 nan 0.000 0.502 266 R N 0.080 120.584 120.500 0.007 0.000 2.062 266 R HA -0.087 4.254 4.340 0.001 0.000 0.229 266 R C 1.565 177.775 176.300 -0.151 0.000 1.128 266 R CA 1.191 57.228 56.100 -0.104 0.000 0.960 266 R CB -0.215 30.003 30.300 -0.136 0.000 0.855 266 R HN 0.195 nan 8.270 nan 0.000 0.432 267 Y N -0.013 120.235 120.300 -0.086 0.000 2.352 267 Y HA -0.056 4.495 4.550 0.001 0.000 0.292 267 Y C 2.230 178.103 175.900 -0.044 0.000 1.136 267 Y CA 1.121 59.185 58.100 -0.061 0.000 1.227 267 Y CB 0.023 38.469 38.460 -0.022 0.000 0.991 267 Y HN 0.263 nan 8.280 nan 0.000 0.545 268 A N -0.650 122.228 122.820 0.096 0.000 1.930 268 A HA -0.188 4.133 4.320 0.001 0.000 0.215 268 A C 2.029 179.616 177.584 0.005 0.000 1.176 268 A CA 1.578 53.644 52.037 0.048 0.000 0.632 268 A CB -0.442 18.580 19.000 0.037 0.000 0.819 268 A HN 0.379 nan 8.150 nan 0.000 0.445 269 Q N -0.552 119.230 119.800 -0.030 0.000 2.096 269 Q HA -0.019 4.321 4.340 0.001 0.000 0.197 269 Q C 1.851 177.808 176.000 -0.072 0.000 0.964 269 Q CA 1.761 57.533 55.803 -0.051 0.000 0.838 269 Q CB -0.550 28.147 28.738 -0.069 0.000 0.906 269 Q HN 0.279 nan 8.270 nan 0.000 0.444 270 V N 0.834 120.668 119.914 -0.133 0.000 2.759 270 V HA -0.188 3.933 4.120 0.001 0.000 0.256 270 V C 1.380 177.439 176.094 -0.059 0.000 1.080 270 V CA 2.235 64.446 62.300 -0.147 0.000 1.101 270 V CB -0.274 31.359 31.823 -0.317 0.000 0.698 270 V HN 0.483 nan 8.190 nan 0.000 0.477 271 D N -1.111 119.274 120.400 -0.026 0.000 2.194 271 D HA -0.097 4.544 4.640 0.001 0.000 0.204 271 D C 2.031 178.337 176.300 0.011 0.000 0.964 271 D CA 1.247 55.255 54.000 0.014 0.000 0.846 271 D CB 0.124 40.948 40.800 0.041 0.000 0.962 271 D HN 0.306 nan 8.370 nan 0.000 0.490 272 V N 0.338 120.252 119.914 0.001 0.000 2.343 272 V HA -0.209 3.912 4.120 0.001 0.000 0.247 272 V C 2.359 178.455 176.094 0.004 0.000 1.051 272 V CA 1.164 63.466 62.300 0.003 0.000 1.036 272 V CB -0.362 31.460 31.823 -0.002 0.000 0.654 272 V HN 0.217 nan 8.190 nan 0.000 0.451 273 I N -0.208 120.361 120.570 -0.002 0.000 2.163 273 I HA -0.257 3.913 4.170 0.001 0.000 0.243 273 I C 2.447 178.572 176.117 0.014 0.000 1.085 273 I CA 1.794 63.097 61.300 0.004 0.000 1.347 273 I CB -0.465 37.536 38.000 0.002 0.000 1.044 273 I HN 0.206 nan 8.210 nan 0.000 0.408 274 K N -0.210 120.201 120.400 0.018 0.000 2.097 274 K HA -0.073 4.248 4.320 0.001 0.000 0.205 274 K C 2.155 178.771 176.600 0.026 0.000 1.050 274 K CA 1.541 57.845 56.287 0.028 0.000 0.938 274 K CB -0.173 32.349 32.500 0.037 0.000 0.718 274 K HN 0.220 nan 8.250 nan 0.000 0.442 275 S N 0.902 116.615 115.700 0.022 0.000 2.461 275 S HA -0.046 4.424 4.470 0.001 0.000 0.228 275 S C 1.373 175.983 174.600 0.017 0.000 1.005 275 S CA 0.868 59.080 58.200 0.020 0.000 0.942 275 S CB 0.059 63.270 63.200 0.019 0.000 0.776 275 S HN 0.326 nan 8.310 nan 0.000 0.514 276 E N 0.282 120.490 120.200 0.015 0.000 2.340 276 E HA 0.046 4.397 4.350 0.001 0.000 0.198 276 E C 1.677 178.285 176.600 0.013 0.000 0.961 276 E CA 0.644 57.052 56.400 0.012 0.000 0.905 276 E CB 0.050 29.755 29.700 0.009 0.000 0.884 276 E HN 0.313 nan 8.360 nan 0.000 0.491 277 T N 1.553 116.116 114.554 0.016 0.000 2.770 277 T HA -0.040 4.310 4.350 0.001 0.000 0.263 277 T C 2.008 176.719 174.700 0.017 0.000 1.039 277 T CA 0.771 62.881 62.100 0.017 0.000 1.142 277 T CB -0.086 68.793 68.868 0.020 0.000 0.868 277 T HN 0.068 nan 8.240 nan 0.000 0.435 278 I N 1.575 122.157 120.570 0.020 0.000 2.315 278 I HA -0.105 4.065 4.170 0.001 0.000 0.248 278 I C 2.921 179.049 176.117 0.017 0.000 1.117 278 I CA 0.901 62.214 61.300 0.020 0.000 1.404 278 I CB -0.481 37.534 38.000 0.024 0.000 1.071 278 I HN 0.178 nan 8.210 nan 0.000 0.419 279 A N 0.612 123.442 122.820 0.016 0.000 1.972 279 A HA -0.169 4.151 4.320 0.001 0.000 0.219 279 A C 2.365 179.956 177.584 0.012 0.000 1.169 279 A CA 2.322 54.367 52.037 0.014 0.000 0.635 279 A CB -0.934 18.074 19.000 0.013 0.000 0.810 279 A HN 0.415 nan 8.150 nan 0.000 0.446 280 T N -0.062 114.499 114.554 0.011 0.000 2.978 280 T HA 0.077 4.427 4.350 0.001 0.000 0.262 280 T C 1.759 176.465 174.700 0.010 0.000 1.063 280 T CA 1.037 63.143 62.100 0.010 0.000 1.140 280 T CB -0.231 68.643 68.868 0.009 0.000 0.886 280 T HN 0.323 nan 8.240 nan 0.000 0.470 281 L N 0.382 121.612 121.223 0.012 0.000 2.109 281 L HA 0.089 4.429 4.340 0.001 0.000 0.207 281 L C 2.307 179.184 176.870 0.011 0.000 1.086 281 L CA 0.942 55.789 54.840 0.011 0.000 0.760 281 L CB -0.426 41.641 42.059 0.014 0.000 0.910 281 L HN 0.226 nan 8.230 nan 0.000 0.437 282 L N -0.794 120.436 121.223 0.012 0.000 2.217 282 L HA -0.093 4.247 4.340 0.001 0.000 0.211 282 L C 2.709 179.585 176.870 0.009 0.000 1.107 282 L CA 0.737 55.584 54.840 0.011 0.000 0.783 282 L CB -0.534 41.532 42.059 0.012 0.000 0.919 282 L HN 0.211 nan 8.230 nan 0.000 0.442 283 A N -0.368 122.457 122.820 0.009 0.000 2.014 283 A HA -0.204 4.116 4.320 0.001 0.000 0.218 283 A C 2.244 179.832 177.584 0.007 0.000 1.163 283 A CA 1.431 53.473 52.037 0.008 0.000 0.652 283 A CB -0.275 18.729 19.000 0.007 0.000 0.808 283 A HN 0.453 nan 8.150 nan 0.000 0.449 284 E N 0.081 120.285 120.200 0.007 0.000 2.028 284 E HA -0.114 4.236 4.350 0.001 0.000 0.190 284 E C -0.455 176.148 176.600 0.006 0.000 0.984 284 E CA 1.158 57.562 56.400 0.006 0.000 0.800 284 E CB 0.088 29.792 29.700 0.006 0.000 0.758 284 E HN 0.714 nan 8.360 nan 0.000 0.448 285 D N -1.560 118.844 120.400 0.006 0.000 2.736 285 D HA 0.103 4.744 4.640 0.001 0.000 0.223 285 D C -0.642 175.662 176.300 0.007 0.000 1.231 285 D CA -0.549 53.454 54.000 0.006 0.000 0.818 285 D CB 0.942 41.745 40.800 0.005 0.000 1.587 285 D HN 0.004 nan 8.370 nan 0.000 0.463 286 E N -0.138 120.066 120.200 0.006 0.000 2.444 286 E HA 0.048 4.399 4.350 0.001 0.000 0.191 286 E C 0.807 177.411 176.600 0.006 0.000 1.041 286 E CA 0.249 56.653 56.400 0.007 0.000 0.883 286 E CB 0.327 30.031 29.700 0.006 0.000 1.024 286 E HN 0.658 nan 8.360 nan 0.000 0.470 287 T N -1.426 113.131 114.554 0.006 0.000 3.088 287 T HA 0.090 4.440 4.350 0.001 0.000 0.259 287 T C 0.908 175.611 174.700 0.005 0.000 1.122 287 T CA -0.047 62.056 62.100 0.005 0.000 1.095 287 T CB -0.045 68.825 68.868 0.003 0.000 0.930 287 T HN -0.028 nan 8.240 nan 0.000 0.508 288 L N 2.298 123.526 121.223 0.007 0.000 2.426 288 L HA 0.363 4.704 4.340 0.001 0.000 0.271 288 L C 0.385 177.261 176.870 0.010 0.000 1.169 288 L CA -0.628 54.218 54.840 0.009 0.000 0.836 288 L CB 0.283 42.349 42.059 0.011 0.000 1.112 288 L HN 0.113 nan 8.230 nan 0.000 0.465 289 D N 1.377 121.784 120.400 0.011 0.000 2.350 289 D HA -0.030 4.611 4.640 0.001 0.000 0.249 289 D C 0.873 177.183 176.300 0.017 0.000 1.119 289 D CA 0.005 54.013 54.000 0.012 0.000 0.886 289 D CB 1.085 41.892 40.800 0.011 0.000 1.195 289 D HN 0.423 nan 8.370 nan 0.000 0.437 290 E N 2.561 122.772 120.200 0.018 0.000 2.107 290 E HA -0.127 4.224 4.350 0.001 0.000 0.191 290 E C 0.832 177.449 176.600 0.028 0.000 0.982 290 E CA 0.693 57.106 56.400 0.023 0.000 0.809 290 E CB 0.201 29.914 29.700 0.022 0.000 0.756 290 E HN 0.490 nan 8.360 nan 0.000 0.459 291 N N 0.678 119.395 118.700 0.027 0.000 2.416 291 N HA -0.106 4.635 4.740 0.001 0.000 0.177 291 N C 1.644 177.175 175.510 0.034 0.000 1.036 291 N CA 0.480 53.549 53.050 0.033 0.000 0.901 291 N CB -0.048 38.456 38.487 0.029 0.000 0.976 291 N HN 0.347 nan 8.380 nan 0.000 0.444 292 E N 0.838 121.056 120.200 0.029 0.000 2.107 292 E HA -0.010 4.341 4.350 0.001 0.000 0.191 292 E C 1.791 178.413 176.600 0.036 0.000 0.982 292 E CA 0.367 56.785 56.400 0.031 0.000 0.809 292 E CB 0.083 29.796 29.700 0.022 0.000 0.756 292 E HN 0.211 nan 8.360 nan 0.000 0.459 293 L N 0.044 121.288 121.223 0.034 0.000 2.046 293 L HA -0.083 4.258 4.340 0.001 0.000 0.208 293 L C 2.556 179.455 176.870 0.048 0.000 1.077 293 L CA 1.305 56.167 54.840 0.037 0.000 0.747 293 L CB -0.427 41.651 42.059 0.031 0.000 0.896 293 L HN 0.271 nan 8.230 nan 0.000 0.432 294 G N -1.112 107.719 108.800 0.052 0.000 2.484 294 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 294 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 294 G C 1.464 176.415 174.900 0.084 0.000 1.130 294 G CA 0.452 45.591 45.100 0.066 0.000 0.784 294 G HN 0.426 nan 8.290 nan 0.000 0.543 295 E N 0.436 120.680 120.200 0.073 0.000 2.076 295 E HA -0.080 4.270 4.350 0.001 0.000 0.190 295 E C 2.364 179.033 176.600 0.116 0.000 0.979 295 E CA 0.986 57.436 56.400 0.084 0.000 0.807 295 E CB -0.107 29.630 29.700 0.062 0.000 0.761 295 E HN 0.535 nan 8.360 nan 0.000 0.454 296 I N -1.222 119.399 120.570 0.085 0.000 2.876 296 I HA -0.040 4.130 4.170 0.001 0.000 0.264 296 I C 1.948 178.109 176.117 0.073 0.000 1.204 296 I CA 0.707 62.051 61.300 0.074 0.000 1.485 296 I CB -0.175 37.854 38.000 0.048 0.000 1.103 296 I HN 0.023 nan 8.210 nan 0.000 0.446 297 L N 0.375 121.648 121.223 0.084 0.000 2.141 297 L HA -0.149 4.191 4.340 0.001 0.000 0.209 297 L C 2.728 179.655 176.870 0.096 0.000 1.094 297 L CA 1.472 56.359 54.840 0.078 0.000 0.763 297 L CB -0.743 41.362 42.059 0.078 0.000 0.908 297 L HN 0.380 nan 8.230 nan 0.000 0.437 298 H N -0.222 118.870 119.070 0.037 0.000 2.428 298 H HA -0.062 4.495 4.556 0.001 0.000 0.296 298 H C 2.116 177.457 175.328 0.022 0.000 1.062 298 H CA 1.185 57.256 56.048 0.037 0.000 1.350 298 H CB 0.239 30.029 29.762 0.047 0.000 1.403 298 H HN 0.272 nan 8.280 nan 0.000 0.533 299 A N 0.389 123.249 122.820 0.067 0.000 1.969 299 A HA -0.069 4.251 4.320 0.001 0.000 0.218 299 A C 2.313 179.864 177.584 -0.053 0.000 1.169 299 A CA 1.468 53.512 52.037 0.011 0.000 0.635 299 A CB -0.597 18.435 19.000 0.053 0.000 0.810 299 A HN 0.520 nan 8.150 nan 0.000 0.445 300 I N -0.637 119.908 120.570 -0.043 0.000 2.286 300 I HA -0.191 3.980 4.170 0.001 0.000 0.245 300 I C 2.333 178.380 176.117 -0.115 0.000 1.104 300 I CA 1.236 62.503 61.300 -0.054 0.000 1.397 300 I CB -0.486 37.504 38.000 -0.015 0.000 1.072 300 I HN 0.342 nan 8.210 nan 0.000 0.417 301 E N 1.120 121.230 120.200 -0.151 0.000 2.118 301 E HA -0.272 4.079 4.350 0.001 0.000 0.195 301 E C 2.123 178.489 176.600 -0.389 0.000 0.992 301 E CA 1.167 57.407 56.400 -0.267 0.000 0.804 301 E CB -0.085 29.499 29.700 -0.193 0.000 0.741 301 E HN 0.370 nan 8.360 nan 0.000 0.458 302 K N 0.744 120.935 120.400 -0.349 0.000 2.103 302 K HA -0.145 4.176 4.320 0.001 0.000 0.204 302 K C 1.959 178.452 176.600 -0.179 0.000 1.052 302 K CA 1.125 57.251 56.287 -0.268 0.000 0.945 302 K CB 0.067 32.437 32.500 -0.217 0.000 0.722 302 K HN -0.064 nan 8.250 nan 0.000 0.443 303 N N 0.060 118.671 118.700 -0.147 0.000 2.216 303 N HA -0.107 4.633 4.740 0.001 0.000 0.183 303 N C 1.505 176.948 175.510 -0.112 0.000 1.017 303 N CA 1.001 53.991 53.050 -0.101 0.000 0.861 303 N CB 0.093 38.540 38.487 -0.067 0.000 0.986 303 N HN -0.045 nan 8.380 nan 0.000 0.428 304 V N -0.258 119.566 119.914 -0.150 0.000 2.307 304 V HA -0.136 3.985 4.120 0.001 0.000 0.245 304 V C 2.253 178.247 176.094 -0.167 0.000 1.045 304 V CA 1.227 63.442 62.300 -0.142 0.000 1.024 304 V CB -0.419 31.320 31.823 -0.141 0.000 0.651 304 V HN 0.144 nan 8.190 nan 0.000 0.449 305 V N -0.079 119.677 119.914 -0.263 0.000 2.307 305 V HA -0.230 3.891 4.120 0.001 0.000 0.245 305 V C 2.550 178.571 176.094 -0.123 0.000 1.045 305 V CA 2.012 64.175 62.300 -0.228 0.000 1.024 305 V CB -0.779 30.849 31.823 -0.324 0.000 0.651 305 V HN 0.444 nan 8.190 nan 0.000 0.449 306 R N -0.042 120.391 120.500 -0.111 0.000 2.115 306 R HA -0.094 4.247 4.340 0.001 0.000 0.230 306 R C 2.526 178.795 176.300 -0.052 0.000 1.111 306 R CA 1.554 57.614 56.100 -0.066 0.000 0.976 306 R CB -0.374 29.893 30.300 -0.056 0.000 0.870 306 R HN 0.450 nan 8.270 nan 0.000 0.445 307 S N 0.325 115.990 115.700 -0.058 0.000 2.406 307 S HA -0.038 4.433 4.470 0.001 0.000 0.228 307 S C 1.744 176.321 174.600 -0.038 0.000 1.020 307 S CA 0.892 59.066 58.200 -0.044 0.000 0.965 307 S CB -0.017 63.157 63.200 -0.043 0.000 0.798 307 S HN 0.303 nan 8.310 nan 0.000 0.488 308 R N 0.469 120.943 120.500 -0.042 0.000 2.090 308 R HA 0.032 4.373 4.340 0.001 0.000 0.228 308 R C 2.066 178.350 176.300 -0.027 0.000 1.110 308 R CA 0.967 57.049 56.100 -0.031 0.000 0.973 308 R CB -0.358 29.925 30.300 -0.027 0.000 0.869 308 R HN 0.258 nan 8.270 nan 0.000 0.440 309 V N 1.187 121.083 119.914 -0.030 0.000 2.488 309 V HA -0.165 3.956 4.120 0.001 0.000 0.246 309 V C 2.164 178.240 176.094 -0.030 0.000 1.046 309 V CA 1.215 63.500 62.300 -0.025 0.000 1.053 309 V CB -0.305 31.506 31.823 -0.021 0.000 0.679 309 V HN 0.264 nan 8.190 nan 0.000 0.458 310 L N 0.190 121.394 121.223 -0.032 0.000 2.093 310 L HA -0.069 4.272 4.340 0.001 0.000 0.208 310 L C 2.471 179.318 176.870 -0.040 0.000 1.085 310 L CA 1.593 56.412 54.840 -0.036 0.000 0.755 310 L CB -0.372 41.669 42.059 -0.030 0.000 0.904 310 L HN 0.300 nan 8.230 nan 0.000 0.435 311 A N -1.027 121.772 122.820 -0.034 0.000 1.929 311 A HA 0.143 4.464 4.320 0.001 0.000 0.216 311 A C 1.764 179.329 177.584 -0.032 0.000 1.176 311 A CA 1.218 53.236 52.037 -0.031 0.000 0.628 311 A CB -0.487 18.497 19.000 -0.026 0.000 0.816 311 A HN 0.646 nan 8.150 nan 0.000 0.444 312 G N -1.266 107.516 108.800 -0.031 0.000 2.183 312 G HA2 -0.125 3.835 3.960 0.001 0.000 0.168 312 G HA3 -0.125 3.835 3.960 0.001 0.000 0.168 312 G C -0.180 174.707 174.900 -0.022 0.000 1.008 312 G CA 0.101 45.183 45.100 -0.030 0.000 0.677 312 G HN 0.534 nan 8.290 nan 0.000 0.498 313 E N 1.804 121.993 120.200 -0.018 0.000 2.390 313 E HA 0.382 4.733 4.350 0.001 0.000 0.261 313 E C -1.857 174.739 176.600 -0.008 0.000 1.076 313 E CA -1.390 55.003 56.400 -0.012 0.000 0.905 313 E CB 0.872 30.566 29.700 -0.010 0.000 0.984 313 E HN 0.198 nan 8.360 nan 0.000 0.427 314 P HA -0.042 nan 4.420 nan 0.000 0.267 314 P C -0.301 177.005 177.300 0.009 0.000 1.200 314 P CA 0.425 63.527 63.100 0.002 0.000 0.772 314 P CB 0.704 32.407 31.700 0.005 0.000 0.855 315 R N 1.127 121.635 120.500 0.013 0.000 2.828 315 R HA 0.211 4.552 4.340 0.001 0.000 0.270 315 R C 2.051 178.374 176.300 0.039 0.000 1.244 315 R CA -0.602 55.512 56.100 0.023 0.000 1.143 315 R CB -0.151 30.163 30.300 0.024 0.000 1.128 315 R HN 0.378 nan 8.270 nan 0.000 0.587 316 I N 0.822 121.428 120.570 0.060 0.000 2.163 316 I HA -0.293 3.878 4.170 0.001 0.000 0.243 316 I C 1.528 177.684 176.117 0.064 0.000 1.085 316 I CA 1.636 62.989 61.300 0.088 0.000 1.347 316 I CB -0.463 37.618 38.000 0.135 0.000 1.044 316 I HN 0.634 nan 8.210 nan 0.000 0.408 317 D N 0.235 120.668 120.400 0.055 0.000 2.340 317 D HA 0.104 4.744 4.640 0.001 0.000 0.220 317 D C 1.488 177.806 176.300 0.030 0.000 1.039 317 D CA 0.709 54.735 54.000 0.043 0.000 0.866 317 D CB 0.127 40.954 40.800 0.045 0.000 0.913 317 D HN 0.412 nan 8.370 nan 0.000 0.523 318 G N 0.079 108.895 108.800 0.027 0.000 2.159 318 G HA2 -0.284 3.677 3.960 0.001 0.000 0.227 318 G HA3 -0.284 3.677 3.960 0.001 0.000 0.227 318 G C 0.285 175.192 174.900 0.012 0.000 0.986 318 G CA -0.269 44.842 45.100 0.018 0.000 0.651 318 G HN 0.405 nan 8.290 nan 0.000 0.523 319 R N 0.388 120.896 120.500 0.014 0.000 2.577 319 R HA 0.564 4.905 4.340 0.001 0.000 0.269 319 R C 0.748 177.049 176.300 0.001 0.000 1.084 319 R CA -0.162 55.942 56.100 0.006 0.000 1.163 319 R CB 0.693 30.997 30.300 0.008 0.000 1.100 319 R HN 0.498 nan 8.270 nan 0.000 0.547 320 E N 0.662 120.858 120.200 -0.006 0.000 3.552 320 E HA 0.085 4.436 4.350 0.001 0.000 0.264 320 E C 0.741 177.334 176.600 -0.012 0.000 1.170 320 E CA -0.648 55.745 56.400 -0.010 0.000 1.313 320 E CB 0.531 30.222 29.700 -0.015 0.000 1.522 320 E HN 0.365 nan 8.360 nan 0.000 0.653 321 K N 0.446 120.836 120.400 -0.017 0.000 2.031 321 K HA -0.144 4.176 4.320 0.001 0.000 0.205 321 K C 0.944 177.534 176.600 -0.018 0.000 1.049 321 K CA 2.016 58.291 56.287 -0.019 0.000 0.939 321 K CB 0.110 32.593 32.500 -0.027 0.000 0.717 321 K HN 0.417 nan 8.250 nan 0.000 0.438 322 D N -0.379 120.007 120.400 -0.022 0.000 2.469 322 D HA 0.005 4.645 4.640 0.001 0.000 0.213 322 D C 0.658 176.936 176.300 -0.037 0.000 1.135 322 D CA -0.274 53.711 54.000 -0.024 0.000 0.834 322 D CB -0.252 40.534 40.800 -0.023 0.000 1.009 322 D HN 0.267 nan 8.370 nan 0.000 0.507 323 M N 0.662 120.237 119.600 -0.042 0.000 2.250 323 M HA 0.514 4.995 4.480 0.001 0.000 0.344 323 M C 0.116 176.380 176.300 -0.059 0.000 1.150 323 M CA -0.857 54.401 55.300 -0.069 0.000 1.147 323 M CB 1.669 34.233 32.600 -0.060 0.000 1.498 323 M HN -0.002 nan 8.290 nan 0.000 0.461 324 I N -0.964 119.548 120.570 -0.097 0.000 3.100 324 I HA 0.663 4.834 4.170 0.001 0.000 0.312 324 I C -0.297 175.801 176.117 -0.032 0.000 1.063 324 I CA -1.322 59.949 61.300 -0.048 0.000 1.031 324 I CB 1.479 39.462 38.000 -0.028 0.000 1.243 324 I HN 0.773 nan 8.210 nan 0.000 0.483 325 R N 0.964 121.471 120.500 0.011 0.000 2.726 325 R HA 0.392 4.733 4.340 0.001 0.000 0.272 325 R C 0.178 176.497 176.300 0.032 0.000 1.097 325 R CA -0.120 55.991 56.100 0.018 0.000 1.198 325 R CB 0.507 30.821 30.300 0.024 0.000 1.114 325 R HN 0.929 nan 8.270 nan 0.000 0.550 326 G N 1.942 110.757 108.800 0.024 0.000 2.372 326 G HA2 0.258 4.218 3.960 0.001 0.000 0.286 326 G HA3 0.258 4.218 3.960 0.001 0.000 0.286 326 G C -0.025 174.871 174.900 -0.006 0.000 1.153 326 G CA -0.457 44.662 45.100 0.032 0.000 0.985 326 G HN 0.286 nan 8.290 nan 0.000 0.429 327 L N 1.980 123.208 121.223 0.008 0.000 2.453 327 L HA 0.411 4.752 4.340 0.001 0.000 0.261 327 L C 0.144 176.940 176.870 -0.124 0.000 1.179 327 L CA -0.436 54.347 54.840 -0.094 0.000 0.813 327 L CB 0.936 42.989 42.059 -0.011 0.000 1.110 327 L HN 0.370 nan 8.230 nan 0.000 0.466 328 D N 0.550 120.803 120.400 -0.245 0.000 2.855 328 D HA 0.467 5.107 4.640 0.001 0.000 0.241 328 D C -1.516 174.689 176.300 -0.157 0.000 1.277 328 D CA -0.209 53.696 54.000 -0.159 0.000 0.918 328 D CB 2.056 42.776 40.800 -0.133 0.000 1.462 328 D HN 0.095 nan 8.370 nan 0.000 0.559 329 V N 4.746 124.646 119.914 -0.024 0.000 2.487 329 V HA 0.625 4.745 4.120 0.001 0.000 0.298 329 V C 0.010 176.141 176.094 0.062 0.000 1.028 329 V CA -0.662 61.684 62.300 0.077 0.000 0.860 329 V CB 1.833 33.736 31.823 0.133 0.000 0.991 329 V HN 0.438 nan 8.190 nan 0.000 0.427 330 R N 2.259 122.808 120.500 0.082 0.000 2.686 330 R HA 0.790 5.131 4.340 0.001 0.000 0.283 330 R C -1.176 175.167 176.300 0.071 0.000 0.978 330 R CA -0.674 55.462 56.100 0.061 0.000 0.897 330 R CB 2.586 32.911 30.300 0.043 0.000 1.192 330 R HN 0.698 nan 8.270 nan 0.000 0.457 331 T N 0.278 114.864 114.554 0.053 0.000 2.881 331 T HA 0.512 4.863 4.350 0.001 0.000 0.290 331 T C 0.148 174.870 174.700 0.037 0.000 1.000 331 T CA -0.406 61.724 62.100 0.050 0.000 0.978 331 T CB 1.797 70.694 68.868 0.048 0.000 0.997 331 T HN 0.848 nan 8.240 nan 0.000 0.443 332 G N 1.781 110.602 108.800 0.035 0.000 2.452 332 G HA2 -0.181 3.779 3.960 0.001 0.000 0.275 332 G HA3 -0.181 3.779 3.960 0.001 0.000 0.275 332 G C 0.526 175.438 174.900 0.019 0.000 1.131 332 G CA -0.019 45.095 45.100 0.024 0.000 1.031 332 G HN 0.671 nan 8.290 nan 0.000 0.511 333 V N -0.042 119.885 119.914 0.022 0.000 2.346 333 V HA 0.156 4.276 4.120 0.001 0.000 0.244 333 V C 1.788 177.887 176.094 0.008 0.000 1.037 333 V CA 1.818 64.129 62.300 0.018 0.000 1.029 333 V CB -0.317 31.521 31.823 0.024 0.000 0.663 333 V HN 0.527 nan 8.190 nan 0.000 0.454 334 L N 1.015 122.241 121.223 0.006 0.000 2.325 334 L HA 0.336 4.677 4.340 0.001 0.000 0.279 334 L C -1.111 175.752 176.870 -0.011 0.000 1.054 334 L CA -1.458 53.380 54.840 -0.004 0.000 0.804 334 L CB 0.771 42.827 42.059 -0.005 0.000 1.200 334 L HN 0.063 nan 8.230 nan 0.000 0.436 335 P HA -0.027 nan 4.420 nan 0.000 0.217 335 P C 0.351 177.627 177.300 -0.040 0.000 1.154 335 P CA 0.852 63.938 63.100 -0.024 0.000 0.841 335 P CB 0.373 32.060 31.700 -0.022 0.000 0.790 336 R N 0.510 120.984 120.500 -0.044 0.000 3.070 336 R HA 0.485 4.826 4.340 0.001 0.000 0.252 336 R C -0.014 176.236 176.300 -0.083 0.000 1.370 336 R CA 0.177 56.236 56.100 -0.067 0.000 1.482 336 R CB -0.209 30.057 30.300 -0.056 0.000 1.220 336 R HN 0.162 nan 8.270 nan 0.000 0.622 337 T N -1.856 112.635 114.554 -0.104 0.000 2.769 337 T HA 0.230 4.581 4.350 0.001 0.000 0.306 337 T C 0.577 175.187 174.700 -0.150 0.000 1.400 337 T CA -0.515 61.519 62.100 -0.111 0.000 1.007 337 T CB 0.931 69.785 68.868 -0.022 0.000 1.392 337 T HN 0.560 nan 8.240 nan 0.000 0.500 338 H N 0.922 119.982 119.070 -0.016 0.000 2.307 338 H HA 0.378 4.935 4.556 0.001 0.000 0.303 338 H C 1.251 176.578 175.328 -0.002 0.000 1.073 338 H CA 1.649 57.687 56.048 -0.015 0.000 1.338 338 H CB 0.124 29.875 29.762 -0.018 0.000 1.389 338 H HN 0.669 nan 8.280 nan 0.000 0.503 339 G N -0.940 107.940 108.800 0.132 0.000 2.731 339 G HA2 0.496 4.457 3.960 0.001 0.000 0.298 339 G HA3 0.496 4.457 3.960 0.001 0.000 0.298 339 G C -1.302 173.629 174.900 0.052 0.000 1.424 339 G CA -0.373 44.774 45.100 0.077 0.000 1.029 339 G HN 0.342 nan 8.290 nan 0.000 0.518 340 S N -0.500 115.224 115.700 0.042 0.000 2.540 340 S HA 0.918 5.388 4.470 0.001 0.000 0.275 340 S C -0.573 174.054 174.600 0.046 0.000 1.123 340 S CA -0.369 57.853 58.200 0.036 0.000 0.907 340 S CB 2.095 65.311 63.200 0.026 0.000 1.081 340 S HN 2.184 nan 8.310 nan 0.000 0.476 341 A N 1.477 124.331 122.820 0.056 0.000 2.520 341 A HA 0.769 5.090 4.320 0.001 0.000 0.298 341 A C -1.676 175.968 177.584 0.100 0.000 1.051 341 A CA -0.673 51.411 52.037 0.079 0.000 0.690 341 A CB 1.583 20.635 19.000 0.088 0.000 1.281 341 A HN 1.278 nan 8.150 nan 0.000 0.402 342 L N 2.188 123.478 121.223 0.111 0.000 2.298 342 L HA 0.799 5.139 4.340 0.001 0.000 0.284 342 L C -1.526 175.453 176.870 0.182 0.000 1.013 342 L CA -0.474 54.439 54.840 0.120 0.000 0.824 342 L CB 0.769 42.869 42.059 0.068 0.000 1.221 342 L HN 0.602 nan 8.230 nan 0.000 0.418 343 F N 4.000 123.977 119.950 0.044 0.000 2.467 343 F HA 0.735 5.263 4.527 0.001 0.000 0.336 343 F C -0.524 175.305 175.800 0.049 0.000 1.123 343 F CA -0.076 57.954 58.000 0.049 0.000 0.964 343 F CB 1.735 40.772 39.000 0.062 0.000 1.136 343 F HN 0.509 nan 8.300 nan 0.000 0.447 344 T N 6.480 120.687 114.554 -0.579 0.000 2.879 344 T HA 0.381 4.732 4.350 0.001 0.000 0.290 344 T C -0.837 173.503 174.700 -0.600 0.000 0.993 344 T CA -0.710 61.157 62.100 -0.388 0.000 0.975 344 T CB 1.430 70.180 68.868 -0.196 0.000 0.981 344 T HN 0.633 nan 8.240 nan 0.000 0.439 345 R N 2.300 122.566 120.500 -0.390 0.000 2.443 345 R HA 0.535 4.876 4.340 0.001 0.000 0.287 345 R C 0.906 177.164 176.300 -0.071 0.000 1.425 345 R CA 0.429 56.381 56.100 -0.247 0.000 1.300 345 R CB -0.283 29.964 30.300 -0.088 0.000 1.129 345 R HN 1.013 nan 8.270 nan 0.000 0.577 346 G N 2.943 111.706 108.800 -0.061 0.000 4.257 346 G HA2 -0.310 3.651 3.960 0.001 0.000 0.270 346 G HA3 -0.310 3.651 3.960 0.001 0.000 0.270 346 G C 0.227 175.124 174.900 -0.005 0.000 1.717 346 G CA 0.303 45.395 45.100 -0.013 0.000 1.170 346 G HN 0.524 nan 8.290 nan 0.000 0.642 347 E N 1.167 121.376 120.200 0.015 0.000 3.293 347 E HA 0.429 4.780 4.350 0.001 0.000 0.174 347 E C -0.381 176.241 176.600 0.036 0.000 0.958 347 E CA 0.643 57.057 56.400 0.023 0.000 1.352 347 E CB 0.505 30.228 29.700 0.038 0.000 1.066 347 E HN 0.771 nan 8.360 nan 0.000 0.448 348 T N -2.004 112.570 114.554 0.034 0.000 2.886 348 T HA 0.524 4.875 4.350 0.001 0.000 0.292 348 T C -0.552 174.178 174.700 0.051 0.000 1.012 348 T CA -0.799 61.338 62.100 0.061 0.000 0.982 348 T CB 2.128 71.059 68.868 0.104 0.000 1.018 348 T HN 0.063 nan 8.240 nan 0.000 0.451 349 Q N 1.255 121.093 119.800 0.063 0.000 2.347 349 Q HA 0.676 5.017 4.340 0.001 0.000 0.271 349 Q C -1.926 174.132 176.000 0.098 0.000 1.064 349 Q CA -1.044 54.800 55.803 0.068 0.000 0.800 349 Q CB 1.996 30.757 28.738 0.038 0.000 1.304 349 Q HN 1.069 nan 8.270 nan 0.000 0.438 350 A N 3.937 126.846 122.820 0.148 0.000 2.411 350 A HA 0.439 4.760 4.320 0.001 0.000 0.285 350 A C -1.576 176.085 177.584 0.128 0.000 1.129 350 A CA -0.568 51.553 52.037 0.141 0.000 0.736 350 A CB 0.984 20.106 19.000 0.202 0.000 1.186 350 A HN 0.676 nan 8.150 nan 0.000 0.445 351 L N 4.379 125.648 121.223 0.077 0.000 2.375 351 L HA 0.415 4.756 4.340 0.001 0.000 0.276 351 L C -0.643 176.257 176.870 0.049 0.000 1.162 351 L CA 0.185 55.063 54.840 0.064 0.000 0.991 351 L CB 0.319 42.406 42.059 0.046 0.000 1.315 351 L HN 0.414 nan 8.230 nan 0.000 0.431 352 V N 3.141 123.095 119.914 0.066 0.000 2.407 352 V HA 0.560 4.681 4.120 0.001 0.000 0.278 352 V C 0.481 176.583 176.094 0.013 0.000 1.037 352 V CA -0.317 62.007 62.300 0.039 0.000 0.900 352 V CB 1.245 33.115 31.823 0.078 0.000 0.983 352 V HN 0.786 nan 8.190 nan 0.000 0.459 353 T N 1.892 116.428 114.554 -0.029 0.000 2.876 353 T HA 0.857 5.208 4.350 0.001 0.000 0.289 353 T C -0.395 174.271 174.700 -0.056 0.000 1.014 353 T CA -0.605 61.483 62.100 -0.020 0.000 0.986 353 T CB 1.999 70.863 68.868 -0.006 0.000 1.021 353 T HN 0.956 nan 8.240 nan 0.000 0.458 354 A N 2.140 124.952 122.820 -0.013 0.000 2.324 354 A HA 0.813 5.133 4.320 0.001 0.000 0.330 354 A C 0.013 177.609 177.584 0.020 0.000 1.165 354 A CA -0.814 51.211 52.037 -0.021 0.000 0.813 354 A CB 0.977 19.988 19.000 0.019 0.000 1.197 354 A HN 0.917 nan 8.150 nan 0.000 0.484 355 T N 2.313 116.842 114.554 -0.042 0.000 2.881 355 T HA 0.553 4.904 4.350 0.001 0.000 0.290 355 T C -0.546 173.985 174.700 -0.282 0.000 1.000 355 T CA -0.255 61.789 62.100 -0.094 0.000 0.978 355 T CB 0.907 69.764 68.868 -0.018 0.000 0.997 355 T HN 0.473 nan 8.240 nan 0.000 0.443 356 L N 2.190 122.933 121.223 -0.800 0.000 2.322 356 L HA 0.872 5.213 4.340 0.001 0.000 0.279 356 L C 0.721 177.349 176.870 -0.403 0.000 1.036 356 L CA -0.501 53.995 54.840 -0.574 0.000 0.807 356 L CB 1.541 43.192 42.059 -0.680 0.000 1.226 356 L HN 0.877 nan 8.230 nan 0.000 0.433 357 G N -0.025 108.702 108.800 -0.121 0.000 2.660 357 G HA2 0.544 4.505 3.960 0.001 0.000 0.290 357 G HA3 0.544 4.505 3.960 0.001 0.000 0.290 357 G C -0.811 174.185 174.900 0.160 0.000 1.432 357 G CA -0.421 44.683 45.100 0.005 0.000 0.807 357 G HN 0.528 nan 8.290 nan 0.000 0.485 358 T N -1.770 112.871 114.554 0.145 0.000 2.816 358 T HA 0.503 4.853 4.350 0.001 0.000 0.282 358 T C 1.744 176.493 174.700 0.082 0.000 0.993 358 T CA 0.605 62.790 62.100 0.141 0.000 0.994 358 T CB 1.475 70.400 68.868 0.095 0.000 1.025 358 T HN 1.419 nan 8.240 nan 0.000 0.529 359 A N 0.263 123.107 122.820 0.039 0.000 2.178 359 A HA -0.007 4.314 4.320 0.001 0.000 0.218 359 A C 2.418 180.022 177.584 0.033 0.000 1.157 359 A CA 0.709 52.764 52.037 0.031 0.000 0.689 359 A CB -0.727 18.276 19.000 0.004 0.000 0.787 359 A HN 0.863 nan 8.150 nan 0.000 0.465 360 R N -0.144 120.376 120.500 0.034 0.000 2.189 360 R HA -0.037 4.304 4.340 0.001 0.000 0.218 360 R C 0.066 176.388 176.300 0.036 0.000 1.074 360 R CA 1.113 57.232 56.100 0.031 0.000 0.991 360 R CB -0.027 30.291 30.300 0.029 0.000 0.883 360 R HN 0.404 nan 8.270 nan 0.000 0.457 361 D N 0.434 120.859 120.400 0.043 0.000 2.427 361 D HA 0.134 4.775 4.640 0.001 0.000 0.224 361 D C -0.334 175.994 176.300 0.047 0.000 1.157 361 D CA 0.089 54.115 54.000 0.042 0.000 0.828 361 D CB 0.598 41.423 40.800 0.042 0.000 0.974 361 D HN 0.136 nan 8.370 nan 0.000 0.498 362 A N 0.705 123.554 122.820 0.048 0.000 2.327 362 A HA 0.276 4.597 4.320 0.001 0.000 0.283 362 A C 0.370 177.984 177.584 0.050 0.000 1.127 362 A CA -0.457 51.611 52.037 0.053 0.000 0.810 362 A CB 0.930 19.963 19.000 0.054 0.000 1.066 362 A HN 0.106 nan 8.150 nan 0.000 0.492 363 Q N 1.365 121.198 119.800 0.054 0.000 2.314 363 Q HA 0.470 4.811 4.340 0.001 0.000 0.258 363 Q C -1.274 174.756 176.000 0.051 0.000 0.954 363 Q CA -0.201 55.635 55.803 0.055 0.000 0.890 363 Q CB 0.762 29.538 28.738 0.064 0.000 1.210 363 Q HN 0.507 nan 8.270 nan 0.000 0.410 364 V N 6.227 126.170 119.914 0.048 0.000 2.384 364 V HA 0.365 4.486 4.120 0.001 0.000 0.287 364 V C -0.317 175.804 176.094 0.046 0.000 1.020 364 V CA -0.623 61.704 62.300 0.044 0.000 0.850 364 V CB 1.243 33.089 31.823 0.039 0.000 0.987 364 V HN 0.725 nan 8.190 nan 0.000 0.436 365 L N 4.109 125.359 121.223 0.045 0.000 2.317 365 L HA 0.573 4.914 4.340 0.001 0.000 0.281 365 L C -0.295 176.599 176.870 0.039 0.000 1.024 365 L CA -0.508 54.358 54.840 0.045 0.000 0.810 365 L CB 1.686 43.773 42.059 0.048 0.000 1.240 365 L HN 0.511 nan 8.230 nan 0.000 0.427 366 D N 3.617 124.040 120.400 0.038 0.000 2.499 366 D HA 0.213 4.854 4.640 0.001 0.000 0.225 366 D C -0.307 176.010 176.300 0.029 0.000 1.124 366 D CA -0.041 53.978 54.000 0.032 0.000 0.938 366 D CB 0.876 41.695 40.800 0.033 0.000 1.014 366 D HN 0.498 nan 8.370 nan 0.000 0.517 367 E N 1.394 121.611 120.200 0.028 0.000 2.214 367 E HA 0.110 4.461 4.350 0.001 0.000 0.274 367 E C 1.411 178.021 176.600 0.017 0.000 0.977 367 E CA -0.779 55.637 56.400 0.026 0.000 0.827 367 E CB 1.861 31.581 29.700 0.033 0.000 1.130 367 E HN 0.166 nan 8.360 nan 0.000 0.394 368 L N 0.936 122.165 121.223 0.009 0.000 2.291 368 L HA -0.016 4.325 4.340 0.001 0.000 0.214 368 L C 1.749 178.623 176.870 0.008 0.000 1.120 368 L CA 1.438 56.277 54.840 -0.001 0.000 0.799 368 L CB -1.092 40.952 42.059 -0.024 0.000 0.925 368 L HN 0.627 nan 8.230 nan 0.000 0.446 369 M N 0.794 120.404 119.600 0.017 0.000 2.254 369 M HA 0.351 4.831 4.480 0.001 0.000 0.265 369 M C 0.739 177.049 176.300 0.017 0.000 1.066 369 M CA 0.787 56.098 55.300 0.018 0.000 1.123 369 M CB -0.094 32.520 32.600 0.024 0.000 1.388 369 M HN 0.510 nan 8.290 nan 0.000 0.425 370 G N 0.020 108.832 108.800 0.019 0.000 2.378 370 G HA2 0.130 4.090 3.960 0.001 0.000 0.302 370 G HA3 0.130 4.090 3.960 0.001 0.000 0.302 370 G C -1.672 173.240 174.900 0.021 0.000 1.669 370 G CA -0.905 44.206 45.100 0.019 0.000 0.920 370 G HN 0.167 nan 8.290 nan 0.000 0.697 371 E N 0.724 120.937 120.200 0.021 0.000 2.324 371 E HA 0.503 4.854 4.350 0.001 0.000 0.271 371 E C 0.469 177.084 176.600 0.025 0.000 1.028 371 E CA -0.300 56.114 56.400 0.023 0.000 0.890 371 E CB 0.479 30.192 29.700 0.022 0.000 1.004 371 E HN 0.620 nan 8.360 nan 0.000 0.431 372 R N 1.293 121.810 120.500 0.029 0.000 2.698 372 R HA 0.416 4.757 4.340 0.001 0.000 0.275 372 R C -1.173 175.149 176.300 0.037 0.000 1.001 372 R CA -0.956 55.163 56.100 0.031 0.000 0.896 372 R CB 1.254 31.573 30.300 0.032 0.000 1.218 372 R HN 0.414 nan 8.270 nan 0.000 0.462 373 T N -1.278 113.298 114.554 0.038 0.000 2.875 373 T HA 0.306 4.657 4.350 0.001 0.000 0.284 373 T C -0.617 174.115 174.700 0.053 0.000 0.995 373 T CA -0.736 61.390 62.100 0.043 0.000 1.060 373 T CB 1.541 70.433 68.868 0.040 0.000 0.967 373 T HN 0.560 nan 8.240 nan 0.000 0.476 374 D N 1.315 121.751 120.400 0.060 0.000 2.344 374 D HA 0.382 5.022 4.640 0.001 0.000 0.239 374 D C 1.280 177.631 176.300 0.085 0.000 1.064 374 D CA -0.498 53.547 54.000 0.075 0.000 0.829 374 D CB 1.896 42.738 40.800 0.071 0.000 1.129 374 D HN 0.694 nan 8.370 nan 0.000 0.506 375 T N 1.052 115.675 114.554 0.114 0.000 2.983 375 T HA 0.107 4.458 4.350 0.001 0.000 0.250 375 T C 0.906 175.709 174.700 0.171 0.000 1.037 375 T CA -0.022 62.158 62.100 0.134 0.000 1.142 375 T CB -0.235 68.721 68.868 0.147 0.000 0.876 375 T HN 0.276 nan 8.240 nan 0.000 0.455 376 F N 2.440 122.414 119.950 0.041 0.000 2.411 376 F HA 0.651 5.179 4.527 0.001 0.000 0.350 376 F C -0.877 174.938 175.800 0.025 0.000 1.114 376 F CA -1.763 56.258 58.000 0.034 0.000 1.135 376 F CB 0.487 39.505 39.000 0.030 0.000 1.120 376 F HN 0.049 nan 8.300 nan 0.000 0.495 377 L N 7.027 127.886 121.223 -0.607 0.000 2.362 377 L HA 0.504 4.844 4.340 0.001 0.000 0.271 377 L C -1.338 175.088 176.870 -0.740 0.000 1.002 377 L CA -0.799 53.735 54.840 -0.509 0.000 0.818 377 L CB 2.183 44.063 42.059 -0.298 0.000 1.298 377 L HN 0.587 nan 8.230 nan 0.000 0.420 378 F N 1.932 121.470 119.950 -0.686 0.000 2.547 378 F HA 0.515 5.043 4.527 0.001 0.000 0.316 378 F C -0.567 174.920 175.800 -0.521 0.000 1.121 378 F CA -0.453 57.251 58.000 -0.492 0.000 0.911 378 F CB 1.440 40.314 39.000 -0.210 0.000 1.179 378 F HN 0.397 nan 8.300 nan 0.000 0.443 379 H N 4.845 124.010 119.070 0.158 0.000 2.609 379 H HA 0.180 4.736 4.556 0.001 0.000 0.344 379 H C -1.707 173.800 175.328 0.298 0.000 1.040 379 H CA -0.652 55.514 56.048 0.197 0.000 1.216 379 H CB 2.026 31.818 29.762 0.050 0.000 1.529 379 H HN 0.635 nan 8.280 nan 0.000 0.519 380 Y N 3.598 124.093 120.300 0.326 0.000 2.342 380 Y HA 0.240 4.791 4.550 0.001 0.000 0.338 380 Y C -0.629 175.395 175.900 0.207 0.000 0.965 380 Y CA -0.573 57.689 58.100 0.270 0.000 1.159 380 Y CB 0.655 39.269 38.460 0.257 0.000 1.157 380 Y HN 0.479 nan 8.280 nan 0.000 0.486 381 N N 6.866 125.441 118.700 -0.209 0.000 2.417 381 N HA 0.186 4.927 4.740 0.001 0.000 0.274 381 N C -1.818 173.521 175.510 -0.286 0.000 0.987 381 N CA -0.345 52.617 53.050 -0.146 0.000 0.912 381 N CB 1.356 39.790 38.487 -0.089 0.000 1.177 381 N HN 0.624 nan 8.380 nan 0.000 0.490 382 F N 4.443 124.248 119.950 -0.242 0.000 2.359 382 F HA 0.445 4.973 4.527 0.001 0.000 0.370 382 F C -2.210 173.484 175.800 -0.176 0.000 1.077 382 F CA -1.959 55.916 58.000 -0.207 0.000 1.136 382 F CB 0.903 39.916 39.000 0.022 0.000 1.387 382 F HN 0.294 nan 8.300 nan 0.000 0.468 383 P HA 0.271 nan 4.420 nan 0.000 0.276 383 P C -2.212 174.680 177.300 -0.681 0.000 1.244 383 P CA -1.516 61.249 63.100 -0.559 0.000 0.801 383 P CB 0.471 31.687 31.700 -0.806 0.000 1.006 384 P HA -0.123 nan 4.420 nan 0.000 0.226 384 P C 0.975 178.152 177.300 -0.205 0.000 1.153 384 P CA 1.215 64.186 63.100 -0.215 0.000 0.777 384 P CB -0.312 31.357 31.700 -0.052 0.000 0.794 385 Y N -0.282 119.911 120.300 -0.178 0.000 2.583 385 Y HA 0.102 4.652 4.550 0.001 0.000 0.293 385 Y C 2.161 177.957 175.900 -0.173 0.000 1.157 385 Y CA 0.514 58.527 58.100 -0.144 0.000 1.315 385 Y CB -1.432 36.962 38.460 -0.110 0.000 1.021 385 Y HN -0.064 nan 8.280 nan 0.000 0.536 386 S N 0.637 116.031 115.700 -0.510 0.000 2.371 386 S HA -0.171 4.300 4.470 0.001 0.000 0.224 386 S C 1.739 176.217 174.600 -0.205 0.000 1.029 386 S CA 1.133 59.088 58.200 -0.408 0.000 0.978 386 S CB -1.090 61.676 63.200 -0.724 0.000 0.833 386 S HN 0.478 nan 8.310 nan 0.000 0.466 387 V N -2.004 117.791 119.914 -0.198 0.000 3.354 387 V HA 0.592 4.713 4.120 0.001 0.000 0.258 387 V C 1.478 177.521 176.094 -0.084 0.000 1.159 387 V CA 0.197 62.447 62.300 -0.083 0.000 1.125 387 V CB -1.095 30.725 31.823 -0.005 0.000 0.774 387 V HN 0.952 nan 8.190 nan 0.000 0.464 388 G N -0.070 108.693 108.800 -0.062 0.000 2.270 388 G HA2 -0.144 3.816 3.960 0.001 0.000 0.224 388 G HA3 -0.144 3.816 3.960 0.001 0.000 0.224 388 G C -0.318 174.567 174.900 -0.026 0.000 1.079 388 G CA 0.218 45.301 45.100 -0.030 0.000 0.807 388 G HN 0.654 nan 8.290 nan 0.000 0.492 389 E N -0.877 119.311 120.200 -0.020 0.000 2.450 389 E HA 0.733 5.084 4.350 0.001 0.000 0.272 389 E C -0.110 176.493 176.600 0.004 0.000 0.967 389 E CA -0.475 55.919 56.400 -0.010 0.000 0.818 389 E CB 1.596 31.288 29.700 -0.013 0.000 1.401 389 E HN 0.391 nan 8.360 nan 0.000 0.450 390 T N -1.555 113.003 114.554 0.007 0.000 2.823 390 T HA 0.777 5.128 4.350 0.001 0.000 0.279 390 T C -0.056 174.651 174.700 0.012 0.000 0.998 390 T CA -0.811 61.297 62.100 0.013 0.000 0.994 390 T CB 1.483 70.358 68.868 0.012 0.000 0.960 390 T HN 0.558 nan 8.240 nan 0.000 0.448 391 G N 3.165 111.974 108.800 0.015 0.000 2.746 391 G HA2 0.527 4.488 3.960 0.001 0.000 0.297 391 G HA3 0.527 4.488 3.960 0.001 0.000 0.297 391 G C -0.618 174.293 174.900 0.018 0.000 1.426 391 G CA -1.074 44.036 45.100 0.017 0.000 0.989 391 G HN 0.652 nan 8.290 nan 0.000 0.520 392 M N 0.943 120.554 119.600 0.018 0.000 2.248 392 M HA 0.165 4.645 4.480 0.001 0.000 0.337 392 M C 0.311 176.623 176.300 0.021 0.000 1.121 392 M CA -0.322 54.988 55.300 0.017 0.000 1.155 392 M CB 1.286 33.894 32.600 0.014 0.000 1.514 392 M HN 0.131 nan 8.290 nan 0.000 0.452 393 V N 3.939 123.865 119.914 0.019 0.000 2.184 393 V HA 0.310 4.431 4.120 0.001 0.000 0.262 393 V C 1.034 177.140 176.094 0.019 0.000 1.209 393 V CA -0.303 62.009 62.300 0.021 0.000 1.070 393 V CB -0.231 31.604 31.823 0.019 0.000 1.244 393 V HN 1.088 nan 8.190 nan 0.000 0.477 394 G N 2.818 111.631 108.800 0.022 0.000 3.229 394 G HA2 0.259 4.219 3.960 0.001 0.000 0.165 394 G HA3 0.259 4.219 3.960 0.001 0.000 0.165 394 G C 0.436 175.349 174.900 0.022 0.000 1.753 394 G CA 0.324 45.435 45.100 0.019 0.000 1.054 394 G HN 0.684 nan 8.290 nan 0.000 0.544 395 S N 0.574 116.288 115.700 0.024 0.000 2.585 395 S HA 0.515 4.985 4.470 0.001 0.000 0.277 395 S C -2.709 171.916 174.600 0.042 0.000 1.241 395 S CA -1.133 57.084 58.200 0.027 0.000 1.041 395 S CB 1.289 64.503 63.200 0.023 0.000 0.987 395 S HN 0.259 nan 8.310 nan 0.000 0.512 396 P HA 0.018 nan 4.420 nan 0.000 0.255 396 P C -0.108 177.238 177.300 0.075 0.000 1.161 396 P CA 0.366 63.512 63.100 0.078 0.000 0.768 396 P CB 0.094 31.845 31.700 0.084 0.000 0.746 397 K N 2.634 123.086 120.400 0.087 0.000 2.188 397 K HA 0.044 4.365 4.320 0.001 0.000 0.246 397 K C 1.684 178.315 176.600 0.053 0.000 1.026 397 K CA -0.072 56.254 56.287 0.065 0.000 0.871 397 K CB 0.340 32.882 32.500 0.070 0.000 1.042 397 K HN 0.319 nan 8.250 nan 0.000 0.509 398 R N 0.948 121.462 120.500 0.023 0.000 2.096 398 R HA -0.122 4.219 4.340 0.001 0.000 0.235 398 R C 2.103 178.383 176.300 -0.033 0.000 1.127 398 R CA 1.466 57.565 56.100 -0.001 0.000 0.968 398 R CB -0.096 30.196 30.300 -0.013 0.000 0.861 398 R HN 0.407 nan 8.270 nan 0.000 0.440 399 R N 0.413 120.892 120.500 -0.034 0.000 2.240 399 R HA -0.031 4.310 4.340 0.001 0.000 0.203 399 R C 1.766 178.072 176.300 0.011 0.000 1.011 399 R CA 0.693 56.734 56.100 -0.099 0.000 1.007 399 R CB 0.106 30.370 30.300 -0.060 0.000 0.911 399 R HN 0.346 nan 8.270 nan 0.000 0.468 400 E N 0.683 120.964 120.200 0.134 0.000 2.107 400 E HA -0.129 4.222 4.350 0.001 0.000 0.191 400 E C 1.745 178.479 176.600 0.223 0.000 0.982 400 E CA 0.976 57.561 56.400 0.310 0.000 0.809 400 E CB 0.040 29.921 29.700 0.302 0.000 0.756 400 E HN 0.337 nan 8.360 nan 0.000 0.459 401 I N 0.523 121.155 120.570 0.103 0.000 2.500 401 I HA -0.074 4.097 4.170 0.001 0.000 0.252 401 I C 2.493 178.595 176.117 -0.026 0.000 1.142 401 I CA 0.836 62.179 61.300 0.071 0.000 1.451 401 I CB -0.346 37.687 38.000 0.054 0.000 1.093 401 I HN 0.095 nan 8.210 nan 0.000 0.430 402 G N 0.507 109.227 108.800 -0.135 0.000 2.402 402 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 402 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 402 G C 1.512 176.185 174.900 -0.377 0.000 1.162 402 G CA 0.578 45.510 45.100 -0.280 0.000 0.777 402 G HN 0.391 nan 8.290 nan 0.000 0.539 403 H N 0.495 119.393 119.070 -0.286 0.000 2.529 403 H HA 0.046 4.603 4.556 0.001 0.000 0.277 403 H C 2.730 177.844 175.328 -0.356 0.000 0.999 403 H CA 0.751 56.501 56.048 -0.496 0.000 1.256 403 H CB -0.187 28.911 29.762 -1.107 0.000 1.402 403 H HN 0.385 nan 8.280 nan 0.000 0.566 404 G N 0.931 109.715 108.800 -0.027 0.000 2.394 404 G HA2 -0.246 3.715 3.960 0.001 0.000 0.214 404 G HA3 -0.246 3.715 3.960 0.001 0.000 0.214 404 G C 1.983 176.862 174.900 -0.036 0.000 1.176 404 G CA 0.306 45.476 45.100 0.117 0.000 0.786 404 G HN 0.237 nan 8.290 nan 0.000 0.533 405 R N 0.048 120.511 120.500 -0.062 0.000 2.153 405 R HA 0.243 4.584 4.340 0.001 0.000 0.218 405 R C 2.359 178.572 176.300 -0.145 0.000 1.072 405 R CA 0.575 56.627 56.100 -0.081 0.000 0.990 405 R CB -0.699 29.568 30.300 -0.056 0.000 0.889 405 R HN 0.400 nan 8.270 nan 0.000 0.452 406 L N -0.443 120.673 121.223 -0.178 0.000 1.989 406 L HA -0.122 4.219 4.340 0.001 0.000 0.211 406 L C 1.937 178.661 176.870 -0.242 0.000 1.071 406 L CA 1.945 56.672 54.840 -0.188 0.000 0.749 406 L CB -0.414 41.543 42.059 -0.170 0.000 0.890 406 L HN 0.295 nan 8.230 nan 0.000 0.431 407 A N -0.935 121.657 122.820 -0.380 0.000 2.067 407 A HA -0.184 4.137 4.320 0.001 0.000 0.217 407 A C 2.318 179.464 177.584 -0.730 0.000 1.156 407 A CA 1.392 53.072 52.037 -0.595 0.000 0.683 407 A CB -0.390 18.105 19.000 -0.841 0.000 0.808 407 A HN 0.462 nan 8.150 nan 0.000 0.455 408 K N -0.161 119.901 120.400 -0.563 0.000 2.103 408 K HA -0.077 4.243 4.320 0.001 0.000 0.204 408 K C 2.113 178.686 176.600 -0.045 0.000 1.052 408 K CA 1.105 57.324 56.287 -0.113 0.000 0.945 408 K CB -0.113 32.425 32.500 0.063 0.000 0.722 408 K HN 0.421 nan 8.250 nan 0.000 0.443 409 R N -0.667 119.768 120.500 -0.109 0.000 2.148 409 R HA -0.025 4.316 4.340 0.001 0.000 0.223 409 R C 2.277 178.511 176.300 -0.110 0.000 1.088 409 R CA 1.062 57.106 56.100 -0.094 0.000 0.985 409 R CB -0.165 30.079 30.300 -0.094 0.000 0.880 409 R HN 0.284 nan 8.270 nan 0.000 0.451 410 G N -0.082 108.638 108.800 -0.133 0.000 2.484 410 G HA2 -0.106 3.854 3.960 0.001 0.000 0.218 410 G HA3 -0.106 3.854 3.960 0.001 0.000 0.218 410 G C 1.090 175.930 174.900 -0.100 0.000 1.130 410 G CA 0.478 45.508 45.100 -0.116 0.000 0.784 410 G HN 0.171 nan 8.290 nan 0.000 0.543 411 V N 0.073 119.926 119.914 -0.102 0.000 3.528 411 V HA 0.220 4.341 4.120 0.001 0.000 0.294 411 V C 2.052 178.000 176.094 -0.242 0.000 1.404 411 V CA -0.131 62.104 62.300 -0.109 0.000 1.065 411 V CB 0.639 32.474 31.823 0.019 0.000 0.904 411 V HN 0.237 nan 8.190 nan 0.000 0.435 412 L N 1.910 122.999 121.223 -0.224 0.000 2.017 412 L HA -0.073 4.268 4.340 0.001 0.000 0.208 412 L C 2.479 179.217 176.870 -0.221 0.000 1.073 412 L CA 2.600 57.281 54.840 -0.266 0.000 0.745 412 L CB -0.501 41.469 42.059 -0.149 0.000 0.894 412 L HN 0.277 nan 8.230 nan 0.000 0.432 413 A N -1.686 121.043 122.820 -0.153 0.000 2.014 413 A HA -0.050 4.270 4.320 0.001 0.000 0.218 413 A C 2.152 179.661 177.584 -0.125 0.000 1.163 413 A CA 1.435 53.400 52.037 -0.120 0.000 0.652 413 A CB -0.764 18.183 19.000 -0.088 0.000 0.808 413 A HN 0.305 nan 8.150 nan 0.000 0.449 414 V N 0.168 119.998 119.914 -0.140 0.000 2.453 414 V HA -0.095 4.025 4.120 0.001 0.000 0.247 414 V C 1.279 177.276 176.094 -0.162 0.000 1.048 414 V CA 0.678 62.902 62.300 -0.126 0.000 1.049 414 V CB -0.751 31.008 31.823 -0.106 0.000 0.672 414 V HN 0.473 nan 8.190 nan 0.000 0.457 415 M N 2.096 121.549 119.600 -0.244 0.000 2.252 415 M HA 0.194 4.675 4.480 0.001 0.000 0.348 415 M C -2.079 174.086 176.300 -0.225 0.000 1.334 415 M CA -1.836 53.285 55.300 -0.297 0.000 1.071 415 M CB -0.001 32.292 32.600 -0.512 0.000 1.763 415 M HN 0.105 nan 8.290 nan 0.000 0.452 416 P HA 0.107 nan 4.420 nan 0.000 0.272 416 P C -0.882 176.344 177.300 -0.122 0.000 1.223 416 P CA -0.423 62.586 63.100 -0.152 0.000 0.784 416 P CB 0.268 31.872 31.700 -0.160 0.000 0.923 417 D N 1.782 122.144 120.400 -0.064 0.000 2.361 417 D HA -0.005 4.636 4.640 0.001 0.000 0.239 417 D C 1.491 177.799 176.300 0.013 0.000 1.200 417 D CA -0.314 53.668 54.000 -0.029 0.000 0.915 417 D CB 0.276 41.066 40.800 -0.017 0.000 1.170 417 D HN 0.120 nan 8.370 nan 0.000 0.444 418 M N 0.769 120.388 119.600 0.032 0.000 2.159 418 M HA -0.132 4.348 4.480 0.001 0.000 0.263 418 M C 1.308 177.653 176.300 0.075 0.000 1.063 418 M CA 1.386 56.728 55.300 0.070 0.000 1.110 418 M CB -1.090 31.542 32.600 0.054 0.000 1.374 418 M HN 0.624 nan 8.290 nan 0.000 0.411 419 D N -0.199 120.228 120.400 0.045 0.000 2.350 419 D HA -0.148 4.493 4.640 0.001 0.000 0.216 419 D C 0.849 177.178 176.300 0.049 0.000 0.968 419 D CA 0.874 54.894 54.000 0.033 0.000 0.894 419 D CB -0.380 40.431 40.800 0.018 0.000 0.909 419 D HN 0.350 nan 8.370 nan 0.000 0.520 420 K N -1.314 119.136 120.400 0.083 0.000 2.514 420 K HA 0.161 4.481 4.320 0.001 0.000 0.207 420 K C -0.055 176.686 176.600 0.234 0.000 1.035 420 K CA -0.413 55.940 56.287 0.110 0.000 1.113 420 K CB 0.503 33.049 32.500 0.077 0.000 0.846 420 K HN -0.014 nan 8.250 nan 0.000 0.491 421 F N 1.667 121.623 119.950 0.011 0.000 2.444 421 F HA 0.197 4.724 4.527 0.001 0.000 0.263 421 F C -1.367 174.433 175.800 0.001 0.000 0.912 421 F CA -0.484 57.548 58.000 0.054 0.000 1.122 421 F CB 0.019 39.070 39.000 0.085 0.000 1.246 421 F HN -0.126 nan 8.300 nan 0.000 0.752 422 P HA 0.161 nan 4.420 nan 0.000 0.269 422 P C -0.945 176.339 177.300 -0.028 0.000 1.478 422 P CA 0.027 63.110 63.100 -0.028 0.000 1.045 422 P CB -0.474 31.145 31.700 -0.134 0.000 1.512 423 Y N 1.167 121.422 120.300 -0.076 0.000 2.459 423 Y HA 0.183 4.734 4.550 0.001 0.000 0.349 423 Y C 1.794 177.847 175.900 0.255 0.000 1.266 423 Y CA 0.212 58.291 58.100 -0.035 0.000 1.483 423 Y CB 0.037 38.291 38.460 -0.342 0.000 1.362 423 Y HN -0.120 nan 8.280 nan 0.000 0.628 424 T N -0.881 113.865 114.554 0.321 0.000 2.845 424 T HA 0.610 4.961 4.350 0.001 0.000 0.288 424 T C -0.725 174.103 174.700 0.214 0.000 0.980 424 T CA -0.901 61.343 62.100 0.240 0.000 1.071 424 T CB 0.836 69.787 68.868 0.137 0.000 0.941 424 T HN 0.339 nan 8.240 nan 0.000 0.487 425 V N 3.729 123.762 119.914 0.198 0.000 2.417 425 V HA 0.558 4.679 4.120 0.001 0.000 0.291 425 V C 0.275 176.295 176.094 -0.124 0.000 1.024 425 V CA -0.952 61.411 62.300 0.106 0.000 0.861 425 V CB 1.410 33.382 31.823 0.249 0.000 0.985 425 V HN 0.920 nan 8.190 nan 0.000 0.436 426 R N 3.602 124.008 120.500 -0.157 0.000 2.393 426 R HA 0.689 5.030 4.340 0.001 0.000 0.315 426 R C -1.708 174.413 176.300 -0.299 0.000 0.952 426 R CA -0.367 55.586 56.100 -0.245 0.000 0.842 426 R CB 1.819 32.060 30.300 -0.099 0.000 1.163 426 R HN 0.567 nan 8.270 nan 0.000 0.450 427 V N 5.282 124.873 119.914 -0.538 0.000 2.384 427 V HA 0.371 4.492 4.120 0.001 0.000 0.287 427 V C -0.259 175.428 176.094 -0.679 0.000 1.020 427 V CA -0.786 61.126 62.300 -0.647 0.000 0.850 427 V CB 1.692 32.937 31.823 -0.964 0.000 0.987 427 V HN 0.440 nan 8.190 nan 0.000 0.436 428 V N 3.598 123.298 119.914 -0.357 0.000 2.409 428 V HA 0.493 4.614 4.120 0.001 0.000 0.291 428 V C 0.175 176.192 176.094 -0.129 0.000 1.020 428 V CA -0.276 61.918 62.300 -0.177 0.000 0.848 428 V CB 1.861 33.652 31.823 -0.052 0.000 0.990 428 V HN 0.847 nan 8.190 nan 0.000 0.430 429 S N 3.823 119.497 115.700 -0.043 0.000 2.437 429 S HA 0.493 4.963 4.470 0.001 0.000 0.305 429 S C -0.533 174.037 174.600 -0.050 0.000 1.109 429 S CA -0.634 57.581 58.200 0.025 0.000 1.099 429 S CB 0.724 64.052 63.200 0.213 0.000 1.004 429 S HN 0.707 nan 8.310 nan 0.000 0.475 430 E N 4.412 124.587 120.200 -0.042 0.000 2.102 430 E HA 0.292 4.643 4.350 0.001 0.000 0.263 430 E C -0.454 176.093 176.600 -0.088 0.000 0.894 430 E CA -0.633 55.721 56.400 -0.076 0.000 0.746 430 E CB 0.905 30.594 29.700 -0.018 0.000 1.129 430 E HN 0.542 nan 8.360 nan 0.000 0.416 431 I N 3.094 123.543 120.570 -0.201 0.000 2.396 431 I HA 0.023 4.194 4.170 0.001 0.000 0.289 431 I C 1.702 177.673 176.117 -0.244 0.000 1.056 431 I CA 0.202 61.389 61.300 -0.189 0.000 1.365 431 I CB 0.318 38.185 38.000 -0.221 0.000 1.407 431 I HN 0.416 nan 8.210 nan 0.000 0.509 432 T N 1.765 116.266 114.554 -0.089 0.000 3.000 432 T HA 0.249 4.599 4.350 0.001 0.000 0.248 432 T C 0.543 175.238 174.700 -0.009 0.000 1.034 432 T CA -0.006 62.107 62.100 0.022 0.000 1.060 432 T CB 0.321 69.257 68.868 0.113 0.000 0.983 432 T HN 0.541 nan 8.240 nan 0.000 0.482 433 E N 1.414 121.597 120.200 -0.029 0.000 2.460 433 E HA 0.435 4.786 4.350 0.001 0.000 0.249 433 E C -1.503 175.097 176.600 0.001 0.000 0.962 433 E CA -0.299 56.093 56.400 -0.013 0.000 0.787 433 E CB 1.810 31.522 29.700 0.019 0.000 1.341 433 E HN 0.118 nan 8.360 nan 0.000 0.407 434 S N 2.533 118.216 115.700 -0.028 0.000 2.465 434 S HA 0.221 4.692 4.470 0.001 0.000 0.279 434 S C 0.463 175.125 174.600 0.104 0.000 1.201 434 S CA -0.104 58.157 58.200 0.101 0.000 1.053 434 S CB 0.206 63.510 63.200 0.172 0.000 0.953 434 S HN 0.708 nan 8.310 nan 0.000 0.488 435 N N 3.478 122.251 118.700 0.122 0.000 1.960 435 N HA 0.075 4.816 4.740 0.001 0.000 0.271 435 N C -0.138 175.440 175.510 0.113 0.000 1.288 435 N CA 0.346 53.461 53.050 0.108 0.000 0.759 435 N CB -0.062 38.474 38.487 0.081 0.000 1.444 435 N HN 0.533 nan 8.380 nan 0.000 0.574 436 G N 0.980 109.844 108.800 0.106 0.000 2.954 436 G HA2 0.439 4.400 3.960 0.001 0.000 0.290 436 G HA3 0.439 4.400 3.960 0.001 0.000 0.290 436 G C -0.394 174.553 174.900 0.079 0.000 1.574 436 G CA 0.072 45.226 45.100 0.090 0.000 1.088 436 G HN 0.951 nan 8.290 nan 0.000 0.557 437 S N 1.557 117.279 115.700 0.038 0.000 4.076 437 S HA -0.210 4.260 4.470 0.001 0.000 0.169 437 S C 1.498 176.116 174.600 0.030 0.000 0.372 437 S CA 0.701 58.894 58.200 -0.013 0.000 1.357 437 S CB -0.701 62.490 63.200 -0.016 0.000 1.728 437 S HN 0.661 nan 8.310 nan 0.000 0.295 438 S N 3.147 118.890 115.700 0.072 0.000 2.419 438 S HA -0.135 4.336 4.470 0.001 0.000 0.233 438 S C 2.325 177.015 174.600 0.149 0.000 1.016 438 S CA 1.023 59.325 58.200 0.171 0.000 0.974 438 S CB -0.650 62.719 63.200 0.282 0.000 0.786 438 S HN 1.226 nan 8.310 nan 0.000 0.492 439 S N 1.886 117.573 115.700 -0.021 0.000 2.409 439 S HA -0.230 4.241 4.470 0.001 0.000 0.237 439 S C 1.723 176.321 174.600 -0.004 0.000 1.060 439 S CA 1.416 59.562 58.200 -0.091 0.000 1.052 439 S CB -0.457 62.648 63.200 -0.158 0.000 0.871 439 S HN 0.289 nan 8.310 nan 0.000 0.465 440 M N 1.584 121.193 119.600 0.014 0.000 2.334 440 M HA 0.331 4.811 4.480 0.001 0.000 0.266 440 M C 2.604 178.919 176.300 0.024 0.000 1.082 440 M CA 0.997 56.304 55.300 0.012 0.000 1.141 440 M CB -1.828 30.790 32.600 0.029 0.000 1.380 440 M HN 0.529 nan 8.290 nan 0.000 0.440 441 A N -0.665 122.218 122.820 0.105 0.000 1.972 441 A HA -0.098 4.222 4.320 0.001 0.000 0.219 441 A C 2.405 180.013 177.584 0.040 0.000 1.169 441 A CA 1.959 54.087 52.037 0.151 0.000 0.635 441 A CB -0.727 18.486 19.000 0.355 0.000 0.810 441 A HN 0.473 nan 8.150 nan 0.000 0.446 442 S N -0.316 115.466 115.700 0.136 0.000 2.399 442 S HA -0.109 4.362 4.470 0.001 0.000 0.231 442 S C 1.814 176.500 174.600 0.143 0.000 1.022 442 S CA 1.344 59.665 58.200 0.201 0.000 0.983 442 S CB -0.355 63.063 63.200 0.362 0.000 0.803 442 S HN 0.381 nan 8.310 nan 0.000 0.480 443 V N 0.974 120.901 119.914 0.022 0.000 2.427 443 V HA -0.201 3.920 4.120 0.001 0.000 0.248 443 V C 2.381 178.417 176.094 -0.096 0.000 1.051 443 V CA 1.371 63.658 62.300 -0.021 0.000 1.048 443 V CB -1.011 30.768 31.823 -0.072 0.000 0.666 443 V HN 0.582 nan 8.190 nan 0.000 0.456 444 C N 1.017 120.148 119.300 -0.282 0.000 2.440 444 C HA 0.011 4.471 4.460 0.001 0.000 0.278 444 C C 2.907 177.645 174.990 -0.422 0.000 1.295 444 C CA 0.661 59.363 59.018 -0.526 0.000 1.738 444 C CB -1.656 25.320 27.740 -1.273 0.000 1.987 444 C HN 0.653 nan 8.230 nan 0.000 0.492 445 G N 0.245 108.865 108.800 -0.299 0.000 2.448 445 G HA2 0.091 4.052 3.960 0.001 0.000 0.218 445 G HA3 0.091 4.052 3.960 0.001 0.000 0.218 445 G C 1.814 176.738 174.900 0.040 0.000 1.135 445 G CA 0.900 45.977 45.100 -0.039 0.000 0.784 445 G HN 0.597 nan 8.290 nan 0.000 0.543 446 A N 0.610 123.481 122.820 0.085 0.000 1.930 446 A HA 0.047 4.368 4.320 0.001 0.000 0.217 446 A C 2.585 180.225 177.584 0.094 0.000 1.175 446 A CA 2.087 54.214 52.037 0.150 0.000 0.627 446 A CB -0.708 18.506 19.000 0.357 0.000 0.815 446 A HN 0.372 nan 8.150 nan 0.000 0.443 447 S N -0.559 115.167 115.700 0.043 0.000 2.382 447 S HA -0.070 4.401 4.470 0.001 0.000 0.228 447 S C 1.824 176.438 174.600 0.023 0.000 1.027 447 S CA 1.415 59.627 58.200 0.019 0.000 0.991 447 S CB -0.439 62.751 63.200 -0.017 0.000 0.823 447 S HN 0.481 nan 8.310 nan 0.000 0.469 448 L N 0.656 121.894 121.223 0.024 0.000 2.179 448 L HA 0.164 4.505 4.340 0.001 0.000 0.208 448 L C 2.793 179.693 176.870 0.050 0.000 1.096 448 L CA 0.933 55.798 54.840 0.042 0.000 0.779 448 L CB -0.491 41.606 42.059 0.063 0.000 0.922 448 L HN 0.338 nan 8.230 nan 0.000 0.443 449 A N 0.050 122.902 122.820 0.052 0.000 1.968 449 A HA -0.045 4.275 4.320 0.001 0.000 0.217 449 A C 2.234 179.851 177.584 0.055 0.000 1.169 449 A CA 1.010 53.078 52.037 0.051 0.000 0.638 449 A CB -0.477 18.548 19.000 0.041 0.000 0.812 449 A HN 0.323 nan 8.150 nan 0.000 0.446 450 L N -1.182 120.076 121.223 0.058 0.000 2.093 450 L HA -0.115 4.225 4.340 0.001 0.000 0.208 450 L C 2.727 179.629 176.870 0.054 0.000 1.085 450 L CA 1.156 56.032 54.840 0.060 0.000 0.755 450 L CB -0.349 41.742 42.059 0.053 0.000 0.904 450 L HN 0.393 nan 8.230 nan 0.000 0.435 451 M N -0.899 118.728 119.600 0.045 0.000 2.254 451 M HA -0.176 4.305 4.480 0.001 0.000 0.265 451 M C 1.668 177.998 176.300 0.050 0.000 1.066 451 M CA 1.357 56.683 55.300 0.043 0.000 1.123 451 M CB -0.301 32.320 32.600 0.034 0.000 1.388 451 M HN 0.136 nan 8.290 nan 0.000 0.425 452 D N 0.415 120.846 120.400 0.052 0.000 2.183 452 D HA -0.033 4.608 4.640 0.001 0.000 0.203 452 D C 1.834 178.171 176.300 0.062 0.000 0.969 452 D CA 1.317 55.348 54.000 0.051 0.000 0.842 452 D CB 0.245 41.074 40.800 0.048 0.000 0.957 452 D HN 0.256 nan 8.370 nan 0.000 0.484 453 A N -0.511 122.356 122.820 0.078 0.000 1.970 453 A HA 0.363 4.684 4.320 0.001 0.000 0.216 453 A C 1.765 179.414 177.584 0.108 0.000 1.170 453 A CA 1.259 53.359 52.037 0.105 0.000 0.645 453 A CB -0.401 18.668 19.000 0.114 0.000 0.816 453 A HN 0.497 nan 8.150 nan 0.000 0.447 454 G N -1.444 107.419 108.800 0.104 0.000 2.309 454 G HA2 -0.040 3.920 3.960 0.001 0.000 0.183 454 G HA3 -0.040 3.920 3.960 0.001 0.000 0.183 454 G C -0.263 174.749 174.900 0.186 0.000 1.063 454 G CA -0.155 45.014 45.100 0.116 0.000 0.768 454 G HN 0.849 nan 8.290 nan 0.000 0.490 455 V N 1.576 121.578 119.914 0.147 0.000 2.350 455 V HA 0.449 4.570 4.120 0.001 0.000 0.276 455 V C -1.309 174.791 176.094 0.010 0.000 1.028 455 V CA -1.550 60.807 62.300 0.095 0.000 0.860 455 V CB 1.653 33.446 31.823 -0.049 0.000 0.990 455 V HN 0.260 nan 8.190 nan 0.000 0.453 456 P HA 0.141 nan 4.420 nan 0.000 0.244 456 P C 0.084 177.347 177.300 -0.062 0.000 1.723 456 P CA 0.033 63.137 63.100 0.007 0.000 1.110 456 P CB -0.401 31.336 31.700 0.061 0.000 1.972 457 I N -1.874 118.654 120.570 -0.069 0.000 2.779 457 I HA 0.195 4.366 4.170 0.001 0.000 0.285 457 I C 1.730 177.813 176.117 -0.056 0.000 1.134 457 I CA -0.669 60.580 61.300 -0.085 0.000 1.398 457 I CB 0.901 38.855 38.000 -0.076 0.000 1.404 457 I HN -0.037 nan 8.210 nan 0.000 0.587 458 K N 3.500 123.862 120.400 -0.064 0.000 2.026 458 K HA 0.004 4.325 4.320 0.001 0.000 0.208 458 K C 0.678 177.258 176.600 -0.034 0.000 1.048 458 K CA 1.658 57.917 56.287 -0.046 0.000 0.929 458 K CB 0.055 32.524 32.500 -0.053 0.000 0.713 458 K HN 0.938 nan 8.250 nan 0.000 0.439 459 A N -0.748 122.050 122.820 -0.037 0.000 2.593 459 A HA 0.692 5.013 4.320 0.001 0.000 0.304 459 A C -1.610 175.958 177.584 -0.026 0.000 1.233 459 A CA -0.425 51.596 52.037 -0.026 0.000 0.661 459 A CB 0.680 19.665 19.000 -0.025 0.000 1.338 459 A HN 0.214 nan 8.150 nan 0.000 0.495 460 A N -0.747 122.061 122.820 -0.019 0.000 2.303 460 A HA 0.679 5.000 4.320 0.001 0.000 0.317 460 A C -0.637 176.932 177.584 -0.026 0.000 1.149 460 A CA -0.374 51.652 52.037 -0.019 0.000 0.822 460 A CB 0.960 19.955 19.000 -0.010 0.000 1.131 460 A HN 1.962 nan 8.150 nan 0.000 0.493 461 V N 1.124 121.018 119.914 -0.034 0.000 2.588 461 V HA 0.790 4.911 4.120 0.001 0.000 0.304 461 V C -0.004 176.054 176.094 -0.059 0.000 1.042 461 V CA 0.250 62.524 62.300 -0.042 0.000 0.877 461 V CB 1.492 33.287 31.823 -0.046 0.000 0.996 461 V HN 1.602 nan 8.190 nan 0.000 0.425 462 A N 4.209 127.000 122.820 -0.048 0.000 2.430 462 A HA 1.054 5.375 4.320 0.001 0.000 0.300 462 A C -0.140 177.421 177.584 -0.038 0.000 1.124 462 A CA -0.211 51.792 52.037 -0.056 0.000 0.766 462 A CB 2.088 21.081 19.000 -0.011 0.000 1.328 462 A HN 1.712 nan 8.150 nan 0.000 0.424 463 G N -0.585 108.197 108.800 -0.030 0.000 2.733 463 G HA2 0.709 4.670 3.960 0.001 0.000 0.297 463 G HA3 0.709 4.670 3.960 0.001 0.000 0.297 463 G C -1.326 173.598 174.900 0.041 0.000 1.422 463 G CA -0.276 44.821 45.100 -0.005 0.000 0.942 463 G HN 1.359 nan 8.290 nan 0.000 0.510 464 I N -1.100 119.501 120.570 0.051 0.000 3.095 464 I HA 0.912 5.083 4.170 0.001 0.000 0.310 464 I C -0.084 176.077 176.117 0.073 0.000 1.196 464 I CA -1.837 59.509 61.300 0.077 0.000 0.985 464 I CB 1.934 39.989 38.000 0.091 0.000 1.250 464 I HN 0.804 nan 8.210 nan 0.000 0.446 465 A N 4.462 127.330 122.820 0.080 0.000 2.342 465 A HA 0.950 5.271 4.320 0.001 0.000 0.323 465 A C -0.599 177.047 177.584 0.103 0.000 1.125 465 A CA -0.612 51.475 52.037 0.083 0.000 0.785 465 A CB 1.081 20.116 19.000 0.057 0.000 1.221 465 A HN 0.640 nan 8.150 nan 0.000 0.463 466 M N 1.759 121.450 119.600 0.150 0.000 2.528 466 M HA 0.602 5.083 4.480 0.001 0.000 0.321 466 M C 0.358 176.726 176.300 0.114 0.000 1.153 466 M CA -0.348 55.029 55.300 0.128 0.000 0.951 466 M CB 1.502 34.183 32.600 0.135 0.000 1.705 466 M HN 0.849 nan 8.290 nan 0.000 0.451 467 G N 0.994 109.830 108.800 0.059 0.000 2.788 467 G HA2 0.860 4.821 3.960 0.001 0.000 0.293 467 G HA3 0.860 4.821 3.960 0.001 0.000 0.293 467 G C -2.155 172.758 174.900 0.021 0.000 1.305 467 G CA -0.498 44.630 45.100 0.047 0.000 1.005 467 G HN 0.580 nan 8.290 nan 0.000 0.496 468 L N -0.670 120.568 121.223 0.024 0.000 2.505 468 L HA 0.669 5.010 4.340 0.001 0.000 0.259 468 L C -1.236 175.650 176.870 0.026 0.000 0.952 468 L CA -0.592 54.262 54.840 0.023 0.000 0.840 468 L CB 2.522 44.587 42.059 0.011 0.000 1.358 468 L HN 0.370 nan 8.230 nan 0.000 0.409 469 V N 4.204 124.137 119.914 0.031 0.000 2.349 469 V HA 0.525 4.646 4.120 0.001 0.000 0.284 469 V C -0.374 175.744 176.094 0.040 0.000 1.014 469 V CA -0.624 61.690 62.300 0.022 0.000 0.826 469 V CB 1.316 33.141 31.823 0.004 0.000 1.009 469 V HN 0.688 nan 8.190 nan 0.000 0.431 470 K N 3.238 123.660 120.400 0.038 0.000 2.345 470 K HA 0.699 5.020 4.320 0.001 0.000 0.255 470 K C -1.067 175.550 176.600 0.029 0.000 0.934 470 K CA -0.636 55.682 56.287 0.052 0.000 0.801 470 K CB 1.986 34.515 32.500 0.048 0.000 1.137 470 K HN 0.638 nan 8.250 nan 0.000 0.424 471 E N 2.617 122.836 120.200 0.031 0.000 2.409 471 E HA 0.338 4.689 4.350 0.001 0.000 0.259 471 E C 0.141 176.752 176.600 0.020 0.000 0.932 471 E CA 0.494 56.904 56.400 0.016 0.000 0.809 471 E CB 1.023 30.727 29.700 0.005 0.000 1.341 471 E HN 0.824 nan 8.360 nan 0.000 0.405 472 G N 4.692 113.502 108.800 0.016 0.000 5.306 472 G HA2 -0.379 3.582 3.960 0.001 0.000 0.318 472 G HA3 -0.379 3.582 3.960 0.001 0.000 0.318 472 G C 0.556 175.472 174.900 0.027 0.000 1.413 472 G CA 0.767 45.876 45.100 0.015 0.000 0.981 472 G HN 0.699 nan 8.290 nan 0.000 0.788 473 D N 0.544 120.971 120.400 0.045 0.000 2.497 473 D HA 0.165 4.806 4.640 0.001 0.000 0.256 473 D C 0.112 176.498 176.300 0.142 0.000 1.273 473 D CA 0.007 54.056 54.000 0.080 0.000 0.812 473 D CB -0.930 39.904 40.800 0.057 0.000 1.190 473 D HN 0.562 nan 8.370 nan 0.000 0.524 474 N N 0.798 119.552 118.700 0.091 0.000 2.426 474 N HA 0.392 5.133 4.740 0.001 0.000 0.257 474 N C -1.211 174.351 175.510 0.087 0.000 1.002 474 N CA -0.742 52.332 53.050 0.041 0.000 0.942 474 N CB 0.814 39.289 38.487 -0.020 0.000 1.112 474 N HN 0.187 nan 8.380 nan 0.000 0.499 475 Y N -0.694 119.586 120.300 -0.033 0.000 2.462 475 Y HA 0.765 5.316 4.550 0.001 0.000 0.346 475 Y C -1.181 174.694 175.900 -0.042 0.000 0.976 475 Y CA -1.321 56.755 58.100 -0.040 0.000 1.044 475 Y CB 0.849 39.280 38.460 -0.048 0.000 1.230 475 Y HN 0.052 nan 8.280 nan 0.000 0.455 476 V N 4.325 124.263 119.914 0.040 0.000 2.483 476 V HA 0.419 4.540 4.120 0.001 0.000 0.297 476 V C -0.574 175.542 176.094 0.035 0.000 1.027 476 V CA -0.968 61.320 62.300 -0.020 0.000 0.855 476 V CB 1.520 33.320 31.823 -0.039 0.000 0.995 476 V HN 0.767 nan 8.190 nan 0.000 0.424 477 V N 6.475 126.407 119.914 0.029 0.000 2.432 477 V HA 0.418 4.538 4.120 0.001 0.000 0.275 477 V C -0.151 175.939 176.094 -0.006 0.000 1.043 477 V CA -0.363 61.943 62.300 0.011 0.000 0.925 477 V CB 1.258 33.078 31.823 -0.004 0.000 0.985 477 V HN 0.595 nan 8.190 nan 0.000 0.466 478 L N 4.105 125.327 121.223 -0.002 0.000 2.322 478 L HA 0.534 4.874 4.340 0.001 0.000 0.279 478 L C 0.390 177.267 176.870 0.012 0.000 1.036 478 L CA 0.405 55.249 54.840 0.006 0.000 0.807 478 L CB 1.928 43.996 42.059 0.016 0.000 1.226 478 L HN 0.598 nan 8.230 nan 0.000 0.433 479 S N 1.077 116.784 115.700 0.012 0.000 2.451 479 S HA 0.334 4.805 4.470 0.001 0.000 0.301 479 S C -0.743 173.875 174.600 0.030 0.000 1.116 479 S CA -0.462 57.750 58.200 0.020 0.000 1.093 479 S CB 0.890 64.093 63.200 0.004 0.000 1.017 479 S HN 0.713 nan 8.310 nan 0.000 0.482 480 D N 2.088 122.517 120.400 0.048 0.000 3.278 480 D HA -0.175 4.466 4.640 0.001 0.000 0.233 480 D C -0.102 176.232 176.300 0.056 0.000 1.149 480 D CA 0.419 54.455 54.000 0.059 0.000 0.957 480 D CB -1.183 39.651 40.800 0.058 0.000 0.913 480 D HN 0.591 nan 8.370 nan 0.000 0.409 481 I N -1.069 119.536 120.570 0.059 0.000 2.696 481 I HA 0.331 4.502 4.170 0.001 0.000 0.284 481 I C 1.082 177.241 176.117 0.070 0.000 1.129 481 I CA -0.912 60.423 61.300 0.059 0.000 1.410 481 I CB 0.548 38.579 38.000 0.052 0.000 1.399 481 I HN 0.115 nan 8.210 nan 0.000 0.579 482 L N 3.636 124.910 121.223 0.084 0.000 2.600 482 L HA 0.380 4.720 4.340 0.001 0.000 0.221 482 L C 1.914 178.865 176.870 0.135 0.000 1.197 482 L CA 0.125 55.032 54.840 0.111 0.000 0.838 482 L CB 0.274 42.409 42.059 0.127 0.000 1.474 482 L HN 0.892 nan 8.230 nan 0.000 0.514 483 G N -1.202 107.712 108.800 0.191 0.000 2.402 483 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 483 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 483 G C 0.956 176.084 174.900 0.380 0.000 1.162 483 G CA 0.508 45.769 45.100 0.268 0.000 0.777 483 G HN 0.649 nan 8.290 nan 0.000 0.539 484 D N 0.464 121.069 120.400 0.342 0.000 2.234 484 D HA -0.003 4.638 4.640 0.001 0.000 0.205 484 D C 2.364 178.787 176.300 0.204 0.000 0.962 484 D CA 0.557 54.747 54.000 0.316 0.000 0.855 484 D CB -0.083 40.903 40.800 0.309 0.000 0.951 484 D HN 0.440 nan 8.370 nan 0.000 0.500 485 E N 0.153 120.442 120.200 0.149 0.000 2.274 485 E HA -0.125 4.226 4.350 0.001 0.000 0.194 485 E C 1.184 177.823 176.600 0.065 0.000 0.996 485 E CA 0.576 57.028 56.400 0.086 0.000 0.840 485 E CB 0.200 29.942 29.700 0.071 0.000 0.772 485 E HN 0.167 nan 8.360 nan 0.000 0.491 486 D N -0.343 120.088 120.400 0.052 0.000 2.162 486 D HA -0.087 4.554 4.640 0.001 0.000 0.205 486 D C 1.545 177.806 176.300 -0.065 0.000 0.964 486 D CA 1.092 55.067 54.000 -0.041 0.000 0.847 486 D CB 0.193 40.915 40.800 -0.131 0.000 0.988 486 D HN 0.193 nan 8.370 nan 0.000 0.480 487 H N -0.848 118.283 119.070 0.102 0.000 2.372 487 H HA 0.190 4.747 4.556 0.001 0.000 0.301 487 H C 1.423 176.815 175.328 0.107 0.000 1.065 487 H CA 0.923 57.042 56.048 0.119 0.000 1.364 487 H CB 0.199 30.059 29.762 0.164 0.000 1.406 487 H HN 0.106 nan 8.280 nan 0.000 0.521 488 L N 0.279 121.615 121.223 0.188 0.000 2.592 488 L HA 0.220 4.560 4.340 0.001 0.000 0.227 488 L C 1.594 178.489 176.870 0.042 0.000 1.127 488 L CA -0.197 54.691 54.840 0.080 0.000 0.884 488 L CB 0.174 42.222 42.059 -0.018 0.000 1.065 488 L HN 0.233 nan 8.230 nan 0.000 0.457 489 G N -0.410 108.422 108.800 0.053 0.000 2.873 489 G HA2 0.061 4.022 3.960 0.001 0.000 0.170 489 G HA3 0.061 4.022 3.960 0.001 0.000 0.170 489 G C 0.190 175.111 174.900 0.035 0.000 1.608 489 G CA 0.129 45.249 45.100 0.034 0.000 1.084 489 G HN 0.072 nan 8.290 nan 0.000 0.563 490 D N -1.388 119.032 120.400 0.032 0.000 2.218 490 D HA 0.136 4.777 4.640 0.001 0.000 0.307 490 D C 0.792 177.111 176.300 0.031 0.000 1.086 490 D CA 0.455 54.472 54.000 0.029 0.000 0.886 490 D CB 0.744 41.556 40.800 0.020 0.000 1.645 490 D HN 0.460 nan 8.370 nan 0.000 0.523 491 M N -0.587 119.038 119.600 0.041 0.000 2.569 491 M HA 0.534 5.014 4.480 0.001 0.000 0.279 491 M C -1.853 174.489 176.300 0.069 0.000 1.253 491 M CA -0.741 54.595 55.300 0.060 0.000 0.867 491 M CB 3.212 35.869 32.600 0.096 0.000 1.727 491 M HN -0.395 nan 8.290 nan 0.000 0.467 492 D N 1.885 122.322 120.400 0.062 0.000 2.590 492 D HA 0.327 4.968 4.640 0.001 0.000 0.280 492 D C -1.771 174.571 176.300 0.070 0.000 1.197 492 D CA -0.198 53.833 54.000 0.051 0.000 0.967 492 D CB 0.090 40.891 40.800 0.002 0.000 0.987 492 D HN 0.540 nan 8.370 nan 0.000 0.508 493 F N 2.635 122.573 119.950 -0.020 0.000 2.494 493 F HA 0.228 4.756 4.527 0.001 0.000 0.351 493 F C 0.239 176.030 175.800 -0.016 0.000 1.205 493 F CA -0.224 57.764 58.000 -0.021 0.000 1.125 493 F CB 0.108 39.096 39.000 -0.019 0.000 1.268 493 F HN -0.105 nan 8.300 nan 0.000 0.593 494 K N 4.510 124.807 120.400 -0.173 0.000 2.235 494 K HA 0.653 4.974 4.320 0.001 0.000 0.266 494 K C -1.229 175.273 176.600 -0.162 0.000 0.980 494 K CA -0.749 55.479 56.287 -0.098 0.000 0.849 494 K CB 2.268 34.715 32.500 -0.089 0.000 1.098 494 K HN 0.250 nan 8.250 nan 0.000 0.445 495 V N 1.832 121.715 119.914 -0.051 0.000 2.638 495 V HA 0.707 4.827 4.120 0.001 0.000 0.306 495 V C -0.959 175.119 176.094 -0.027 0.000 1.052 495 V CA -0.878 61.395 62.300 -0.045 0.000 0.885 495 V CB 1.763 33.612 31.823 0.044 0.000 0.999 495 V HN 0.901 nan 8.190 nan 0.000 0.424 496 A N 3.072 125.862 122.820 -0.050 0.000 2.371 496 A HA 1.057 5.377 4.320 0.001 0.000 0.311 496 A C -0.026 177.530 177.584 -0.046 0.000 1.068 496 A CA 0.051 52.060 52.037 -0.047 0.000 0.744 496 A CB 1.970 20.929 19.000 -0.069 0.000 1.239 496 A HN 1.573 nan 8.150 nan 0.000 0.435 497 G N -0.174 108.604 108.800 -0.036 0.000 2.441 497 G HA2 0.617 4.578 3.960 0.001 0.000 0.294 497 G HA3 0.617 4.578 3.960 0.001 0.000 0.294 497 G C -0.216 174.667 174.900 -0.028 0.000 1.393 497 G CA 0.288 45.366 45.100 -0.036 0.000 0.796 497 G HN 1.659 nan 8.290 nan 0.000 0.494 498 S N -0.819 114.865 115.700 -0.028 0.000 2.566 498 S HA 0.448 4.918 4.470 0.001 0.000 0.277 498 S C 1.487 176.080 174.600 -0.011 0.000 1.150 498 S CA 0.093 58.279 58.200 -0.022 0.000 1.032 498 S CB 1.417 64.600 63.200 -0.028 0.000 1.157 498 S HN 0.795 nan 8.310 nan 0.000 0.507 499 R N 0.072 120.567 120.500 -0.008 0.000 2.148 499 R HA -0.033 4.307 4.340 0.001 0.000 0.223 499 R C 0.997 177.295 176.300 -0.003 0.000 1.088 499 R CA 1.500 57.599 56.100 -0.001 0.000 0.985 499 R CB -0.371 29.929 30.300 -0.001 0.000 0.880 499 R HN 0.668 nan 8.270 nan 0.000 0.451 500 D N -0.980 119.414 120.400 -0.010 0.000 2.202 500 D HA 0.065 4.705 4.640 0.001 0.000 0.214 500 D C 0.874 177.165 176.300 -0.015 0.000 0.967 500 D CA 1.356 55.349 54.000 -0.012 0.000 0.871 500 D CB 0.222 41.012 40.800 -0.016 0.000 1.020 500 D HN 0.358 nan 8.370 nan 0.000 0.474 501 G N -0.421 108.366 108.800 -0.022 0.000 2.975 501 G HA2 0.602 4.563 3.960 0.001 0.000 0.291 501 G HA3 0.602 4.563 3.960 0.001 0.000 0.291 501 G C -1.310 173.572 174.900 -0.030 0.000 1.334 501 G CA -0.669 44.414 45.100 -0.029 0.000 0.843 501 G HN 0.004 nan 8.290 nan 0.000 0.548 502 I N 1.612 122.159 120.570 -0.040 0.000 2.339 502 I HA 0.208 4.378 4.170 0.001 0.000 0.290 502 I C 1.458 177.541 176.117 -0.056 0.000 0.994 502 I CA -0.501 60.774 61.300 -0.041 0.000 1.191 502 I CB 2.117 40.095 38.000 -0.036 0.000 1.343 502 I HN 0.598 nan 8.210 nan 0.000 0.458 503 S N 4.893 120.557 115.700 -0.059 0.000 2.348 503 S HA 0.270 4.740 4.470 0.001 0.000 0.219 503 S C 0.773 175.328 174.600 -0.075 0.000 1.033 503 S CA 0.435 58.594 58.200 -0.069 0.000 0.974 503 S CB 0.176 63.331 63.200 -0.074 0.000 0.868 503 S HN 0.743 nan 8.310 nan 0.000 0.459 504 A N 0.516 123.288 122.820 -0.080 0.000 2.540 504 A HA 0.638 4.959 4.320 0.001 0.000 0.297 504 A C -1.431 176.090 177.584 -0.105 0.000 1.056 504 A CA -1.009 50.973 52.037 -0.091 0.000 0.700 504 A CB 1.123 20.065 19.000 -0.097 0.000 1.280 504 A HN 0.901 nan 8.150 nan 0.000 0.398 505 L N -0.773 120.374 121.223 -0.127 0.000 2.401 505 L HA 0.883 5.223 4.340 0.001 0.000 0.266 505 L C -0.534 176.207 176.870 -0.215 0.000 0.991 505 L CA -0.523 54.207 54.840 -0.183 0.000 0.818 505 L CB 1.965 43.892 42.059 -0.219 0.000 1.321 505 L HN 0.752 nan 8.230 nan 0.000 0.413 506 Q N 2.813 122.461 119.800 -0.255 0.000 2.331 506 Q HA 0.636 4.977 4.340 0.001 0.000 0.267 506 Q C -1.542 174.260 176.000 -0.329 0.000 1.006 506 Q CA -0.599 55.062 55.803 -0.235 0.000 0.818 506 Q CB 1.942 30.579 28.738 -0.169 0.000 1.276 506 Q HN 0.911 nan 8.270 nan 0.000 0.450 507 M N 4.305 123.734 119.600 -0.286 0.000 2.078 507 M HA 0.360 4.841 4.480 0.001 0.000 0.320 507 M C -1.769 174.458 176.300 -0.122 0.000 0.969 507 M CA -0.447 54.687 55.300 -0.278 0.000 0.929 507 M CB 1.034 33.468 32.600 -0.277 0.000 1.504 507 M HN 0.559 nan 8.290 nan 0.000 0.419 508 D N 6.585 126.943 120.400 -0.070 0.000 2.440 508 D HA 0.393 5.034 4.640 0.001 0.000 0.252 508 D C -0.872 175.430 176.300 0.002 0.000 1.180 508 D CA -0.130 53.849 54.000 -0.034 0.000 0.894 508 D CB 1.256 42.032 40.800 -0.039 0.000 1.111 508 D HN 0.455 nan 8.370 nan 0.000 0.544 509 I N 1.185 121.756 120.570 0.002 0.000 2.359 509 I HA 0.215 4.386 4.170 0.001 0.000 0.294 509 I C 1.483 177.601 176.117 0.002 0.000 0.987 509 I CA -0.415 60.891 61.300 0.010 0.000 1.225 509 I CB 1.618 39.618 38.000 0.001 0.000 1.366 509 I HN -0.016 nan 8.210 nan 0.000 0.466 510 K N 5.732 126.138 120.400 0.011 0.000 2.404 510 K HA 0.317 4.637 4.320 0.001 0.000 0.194 510 K C 0.232 176.832 176.600 -0.000 0.000 1.023 510 K CA 0.373 56.669 56.287 0.015 0.000 1.094 510 K CB 0.007 32.529 32.500 0.036 0.000 0.841 510 K HN 0.624 nan 8.250 nan 0.000 0.523 511 I N -3.134 117.427 120.570 -0.014 0.000 3.971 511 I HA 0.394 4.564 4.170 0.001 0.000 0.253 511 I C -1.060 175.028 176.117 -0.048 0.000 1.103 511 I CA -1.182 60.101 61.300 -0.028 0.000 1.343 511 I CB 1.344 39.334 38.000 -0.017 0.000 1.364 511 I HN -0.276 nan 8.210 nan 0.000 0.444 512 E N -0.330 119.840 120.200 -0.051 0.000 2.528 512 E HA 0.502 4.852 4.350 0.001 0.000 0.277 512 E C -0.406 176.162 176.600 -0.053 0.000 0.980 512 E CA -0.100 56.264 56.400 -0.060 0.000 0.796 512 E CB 1.731 31.386 29.700 -0.075 0.000 1.427 512 E HN 0.958 nan 8.360 nan 0.000 0.394 513 G N 2.574 111.339 108.800 -0.059 0.000 4.359 513 G HA2 -0.010 3.950 3.960 0.001 0.000 0.184 513 G HA3 -0.010 3.950 3.960 0.001 0.000 0.184 513 G C -0.124 174.723 174.900 -0.088 0.000 1.095 513 G CA -0.634 44.429 45.100 -0.062 0.000 0.970 513 G HN 0.351 nan 8.290 nan 0.000 0.317 514 I N 3.430 123.943 120.570 -0.095 0.000 2.770 514 I HA -0.138 4.033 4.170 0.001 0.000 0.144 514 I C 1.089 177.116 176.117 -0.150 0.000 0.891 514 I CA 1.534 62.757 61.300 -0.128 0.000 2.752 514 I CB -2.031 35.913 38.000 -0.094 0.000 0.585 514 I HN 0.542 nan 8.210 nan 0.000 0.353 515 T N 2.563 117.004 114.554 -0.189 0.000 2.943 515 T HA 0.382 4.732 4.350 0.001 0.000 0.284 515 T C 1.097 175.691 174.700 -0.177 0.000 1.015 515 T CA -0.649 61.352 62.100 -0.165 0.000 1.042 515 T CB 2.529 71.308 68.868 -0.149 0.000 1.055 515 T HN 0.697 nan 8.240 nan 0.000 0.500 516 K N 0.703 121.030 120.400 -0.122 0.000 2.089 516 K HA -0.294 4.027 4.320 0.001 0.000 0.210 516 K C 1.959 178.486 176.600 -0.121 0.000 1.048 516 K CA 2.295 58.524 56.287 -0.097 0.000 0.926 516 K CB -0.388 32.079 32.500 -0.054 0.000 0.714 516 K HN 0.724 nan 8.250 nan 0.000 0.448 517 E N 1.083 121.203 120.200 -0.133 0.000 2.086 517 E HA -0.232 4.118 4.350 0.001 0.000 0.200 517 E C 1.887 178.349 176.600 -0.231 0.000 1.012 517 E CA 2.082 58.403 56.400 -0.131 0.000 0.812 517 E CB -0.384 29.256 29.700 -0.100 0.000 0.743 517 E HN 0.635 nan 8.360 nan 0.000 0.453 518 I N -2.073 118.220 120.570 -0.461 0.000 2.439 518 I HA -0.085 4.086 4.170 0.001 0.000 0.251 518 I C 2.203 178.124 176.117 -0.328 0.000 1.139 518 I CA 1.255 62.192 61.300 -0.606 0.000 1.438 518 I CB -0.251 37.264 38.000 -0.809 0.000 1.085 518 I HN 0.049 nan 8.210 nan 0.000 0.427 519 M N 0.167 119.619 119.600 -0.248 0.000 2.296 519 M HA -0.150 4.330 4.480 0.001 0.000 0.265 519 M C 2.402 178.614 176.300 -0.147 0.000 1.064 519 M CA 1.642 56.825 55.300 -0.194 0.000 1.109 519 M CB -0.330 32.226 32.600 -0.072 0.000 1.396 519 M HN 0.458 nan 8.290 nan 0.000 0.430 520 Q N 0.118 119.856 119.800 -0.103 0.000 2.172 520 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 520 Q C 1.628 177.596 176.000 -0.054 0.000 0.964 520 Q CA 1.110 56.881 55.803 -0.053 0.000 0.855 520 Q CB 0.322 29.044 28.738 -0.028 0.000 0.918 520 Q HN 0.386 nan 8.270 nan 0.000 0.444 521 V N 0.110 119.984 119.914 -0.067 0.000 2.878 521 V HA 0.005 4.126 4.120 0.001 0.000 0.250 521 V C 2.070 178.099 176.094 -0.107 0.000 1.075 521 V CA 1.190 63.469 62.300 -0.035 0.000 1.096 521 V CB -0.217 31.648 31.823 0.069 0.000 0.724 521 V HN 0.398 nan 8.190 nan 0.000 0.467 522 A N -0.076 122.595 122.820 -0.248 0.000 1.930 522 A HA -0.031 4.289 4.320 0.001 0.000 0.215 522 A C 2.065 179.419 177.584 -0.384 0.000 1.176 522 A CA 1.394 53.156 52.037 -0.460 0.000 0.632 522 A CB -0.308 18.123 19.000 -0.947 0.000 0.819 522 A HN 0.419 nan 8.150 nan 0.000 0.445 523 L N -0.106 120.980 121.223 -0.227 0.000 2.209 523 L HA 0.054 4.395 4.340 0.001 0.000 0.207 523 L C 1.883 178.773 176.870 0.033 0.000 1.094 523 L CA 1.838 56.704 54.840 0.044 0.000 0.790 523 L CB -0.490 41.647 42.059 0.131 0.000 0.932 523 L HN 0.430 nan 8.230 nan 0.000 0.447 524 N N -0.752 117.943 118.700 -0.007 0.000 2.216 524 N HA -0.219 4.522 4.740 0.001 0.000 0.183 524 N C 1.861 177.375 175.510 0.006 0.000 1.017 524 N CA 1.255 54.308 53.050 0.005 0.000 0.861 524 N CB -0.033 38.454 38.487 -0.001 0.000 0.986 524 N HN 0.487 nan 8.380 nan 0.000 0.428 525 Q N -0.782 119.012 119.800 -0.011 0.000 2.297 525 Q HA 0.082 4.423 4.340 0.001 0.000 0.204 525 Q C 1.605 177.615 176.000 0.017 0.000 0.962 525 Q CA 0.975 56.775 55.803 -0.005 0.000 0.879 525 Q CB -0.071 28.653 28.738 -0.023 0.000 0.947 525 Q HN 0.452 nan 8.270 nan 0.000 0.462 526 A N 0.970 123.810 122.820 0.034 0.000 2.015 526 A HA -0.156 4.165 4.320 0.001 0.000 0.219 526 A C 1.967 179.591 177.584 0.067 0.000 1.163 526 A CA 1.231 53.314 52.037 0.076 0.000 0.646 526 A CB -0.356 18.734 19.000 0.149 0.000 0.806 526 A HN 0.288 nan 8.150 nan 0.000 0.448 527 K N -0.410 120.021 120.400 0.052 0.000 2.025 527 K HA -0.107 4.214 4.320 0.001 0.000 0.207 527 K C 2.063 178.692 176.600 0.049 0.000 1.049 527 K CA 1.376 57.690 56.287 0.045 0.000 0.933 527 K CB -0.505 32.016 32.500 0.034 0.000 0.714 527 K HN 0.383 nan 8.250 nan 0.000 0.438 528 G N 0.373 109.200 108.800 0.045 0.000 2.422 528 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 528 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 528 G C 1.537 176.481 174.900 0.073 0.000 1.146 528 G CA 0.904 46.035 45.100 0.052 0.000 0.769 528 G HN 0.436 nan 8.290 nan 0.000 0.547 529 A N 0.261 123.118 122.820 0.062 0.000 1.968 529 A HA 0.112 4.433 4.320 0.001 0.000 0.217 529 A C 2.291 179.946 177.584 0.118 0.000 1.169 529 A CA 1.606 53.690 52.037 0.077 0.000 0.638 529 A CB -0.320 18.714 19.000 0.058 0.000 0.812 529 A HN 0.353 nan 8.150 nan 0.000 0.446 530 R N -0.545 120.011 120.500 0.093 0.000 2.075 530 R HA 0.098 4.438 4.340 0.001 0.000 0.226 530 R C 1.777 178.127 176.300 0.085 0.000 1.114 530 R CA 0.937 57.086 56.100 0.082 0.000 0.972 530 R CB -0.288 30.045 30.300 0.054 0.000 0.869 530 R HN 0.491 nan 8.270 nan 0.000 0.437 531 L N -0.600 120.674 121.223 0.085 0.000 2.201 531 L HA -0.149 4.192 4.340 0.001 0.000 0.212 531 L C 2.238 179.165 176.870 0.095 0.000 1.105 531 L CA 1.178 56.062 54.840 0.074 0.000 0.775 531 L CB -0.373 41.724 42.059 0.063 0.000 0.913 531 L HN 0.335 nan 8.230 nan 0.000 0.440 532 H N 0.216 119.312 119.070 0.043 0.000 2.363 532 H HA -0.080 4.476 4.556 0.001 0.000 0.301 532 H C 2.149 177.518 175.328 0.068 0.000 1.074 532 H CA 1.623 57.700 56.048 0.050 0.000 1.354 532 H CB 0.154 29.945 29.762 0.049 0.000 1.397 532 H HN 0.207 nan 8.280 nan 0.000 0.516 533 I N -0.186 120.473 120.570 0.148 0.000 2.353 533 I HA -0.193 3.978 4.170 0.001 0.000 0.248 533 I C 2.002 178.158 176.117 0.065 0.000 1.119 533 I CA 0.675 62.056 61.300 0.136 0.000 1.417 533 I CB -0.170 37.950 38.000 0.200 0.000 1.078 533 I HN 0.236 nan 8.210 nan 0.000 0.421 534 L N 0.726 121.972 121.223 0.039 0.000 2.083 534 L HA -0.123 4.218 4.340 0.001 0.000 0.209 534 L C 2.653 179.522 176.870 -0.002 0.000 1.083 534 L CA 1.522 56.372 54.840 0.016 0.000 0.752 534 L CB -0.967 41.100 42.059 0.014 0.000 0.899 534 L HN 0.326 nan 8.230 nan 0.000 0.433 535 G N -0.761 108.021 108.800 -0.031 0.000 2.422 535 G HA2 -0.139 3.821 3.960 0.001 0.000 0.218 535 G HA3 -0.139 3.821 3.960 0.001 0.000 0.218 535 G C 1.543 176.409 174.900 -0.057 0.000 1.140 535 G CA 0.764 45.832 45.100 -0.053 0.000 0.775 535 G HN 0.205 nan 8.290 nan 0.000 0.545 536 V N 0.933 120.805 119.914 -0.070 0.000 2.407 536 V HA -0.073 4.048 4.120 0.001 0.000 0.245 536 V C 2.809 178.918 176.094 0.026 0.000 1.041 536 V CA 1.596 63.876 62.300 -0.033 0.000 1.040 536 V CB -0.337 31.468 31.823 -0.029 0.000 0.671 536 V HN 0.336 nan 8.190 nan 0.000 0.455 537 M N -0.402 119.229 119.600 0.051 0.000 2.319 537 M HA -0.127 4.354 4.480 0.001 0.000 0.265 537 M C 2.169 178.489 176.300 0.034 0.000 1.068 537 M CA 1.367 56.706 55.300 0.063 0.000 1.118 537 M CB -0.309 32.329 32.600 0.063 0.000 1.395 537 M HN 0.278 nan 8.290 nan 0.000 0.435 538 E N 0.621 120.831 120.200 0.017 0.000 2.204 538 E HA -0.207 4.144 4.350 0.001 0.000 0.194 538 E C 1.914 178.520 176.600 0.011 0.000 0.989 538 E CA 1.119 57.526 56.400 0.010 0.000 0.824 538 E CB 0.019 29.721 29.700 0.002 0.000 0.756 538 E HN 0.456 nan 8.360 nan 0.000 0.477 539 Q N -0.809 118.996 119.800 0.009 0.000 2.123 539 Q HA -0.102 4.238 4.340 0.001 0.000 0.199 539 Q C 1.856 177.866 176.000 0.016 0.000 0.966 539 Q CA 1.291 57.099 55.803 0.008 0.000 0.845 539 Q CB -0.081 28.658 28.738 0.002 0.000 0.907 539 Q HN 0.325 nan 8.270 nan 0.000 0.439 540 A N 0.283 123.117 122.820 0.025 0.000 1.835 540 A HA 0.131 4.451 4.320 0.001 0.000 0.213 540 A C 0.804 178.405 177.584 0.028 0.000 1.210 540 A CA 0.734 52.789 52.037 0.030 0.000 0.605 540 A CB 0.132 19.158 19.000 0.044 0.000 0.860 540 A HN 0.417 nan 8.150 nan 0.000 0.447 541 I N -0.993 119.595 120.570 0.031 0.000 2.607 541 I HA 0.387 4.557 4.170 0.001 0.000 0.290 541 I C -0.672 175.459 176.117 0.023 0.000 1.129 541 I CA -0.540 60.777 61.300 0.028 0.000 1.042 541 I CB 2.081 40.100 38.000 0.032 0.000 1.242 541 I HN 0.333 nan 8.210 nan 0.000 0.421 542 N N 5.255 123.966 118.700 0.019 0.000 2.211 542 N HA 0.433 5.173 4.740 0.001 0.000 0.216 542 N C -0.400 175.119 175.510 0.015 0.000 1.240 542 N CA 0.255 53.314 53.050 0.015 0.000 0.895 542 N CB 0.769 39.263 38.487 0.011 0.000 1.102 542 N HN 0.476 nan 8.380 nan 0.000 0.498 543 A N 1.380 124.211 122.820 0.018 0.000 2.355 543 A HA 0.735 5.056 4.320 0.001 0.000 0.317 543 A C -2.446 175.154 177.584 0.028 0.000 1.094 543 A CA -1.262 50.788 52.037 0.021 0.000 0.764 543 A CB 1.248 20.260 19.000 0.020 0.000 1.230 543 A HN 0.093 nan 8.150 nan 0.000 0.448 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.127 63.100 0.044 0.000 0.800 544 P CB 0.000 31.732 31.700 0.054 0.000 0.726