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 1r3s_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSGILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.807 175.800 0.012 0.000 0.967 11 F CA 0.000 58.007 58.000 0.011 0.000 1.383 11 F CB 0.000 39.008 39.000 0.013 0.000 1.145 12 P HA 0.102 nan 4.420 nan 0.000 0.267 12 P C -0.900 176.469 177.300 0.116 0.000 1.200 12 P CA -0.200 62.980 63.100 0.134 0.000 0.772 12 P CB 0.582 32.348 31.700 0.111 0.000 0.855 13 E N 1.564 121.812 120.200 0.079 0.000 2.384 13 E HA 0.101 4.451 4.350 -0.000 0.000 0.266 13 E C -0.534 176.100 176.600 0.056 0.000 1.012 13 E CA -0.658 55.782 56.400 0.066 0.000 0.901 13 E CB 0.296 30.025 29.700 0.049 0.000 0.967 13 E HN 0.235 nan 8.360 nan 0.000 0.435 14 L N 5.129 126.384 121.223 0.054 0.000 2.462 14 L HA 0.031 4.370 4.340 -0.000 0.000 0.272 14 L C 0.539 177.437 176.870 0.046 0.000 1.166 14 L CA 0.873 55.741 54.840 0.047 0.000 0.880 14 L CB 0.563 42.653 42.059 0.052 0.000 1.142 14 L HN 0.671 nan 8.230 nan 0.000 0.473 15 K N 2.637 123.064 120.400 0.044 0.000 2.108 15 K HA 0.074 4.394 4.320 -0.000 0.000 0.204 15 K C 0.282 176.915 176.600 0.054 0.000 1.036 15 K CA 0.514 56.827 56.287 0.044 0.000 0.965 15 K CB 0.051 32.574 32.500 0.038 0.000 0.804 15 K HN 0.549 nan 8.250 nan 0.000 0.454 16 N N 2.075 120.813 118.700 0.063 0.000 2.501 16 N HA -0.014 4.726 4.740 -0.000 0.000 0.245 16 N C -1.048 174.517 175.510 0.092 0.000 0.974 16 N CA -0.322 52.780 53.050 0.085 0.000 0.941 16 N CB 0.961 39.508 38.487 0.100 0.000 1.122 16 N HN 0.111 nan 8.380 nan 0.000 0.507 17 D N 1.620 122.071 120.400 0.086 0.000 2.424 17 D HA 0.067 4.707 4.640 -0.000 0.000 0.220 17 D C 0.431 176.782 176.300 0.084 0.000 1.150 17 D CA -0.093 53.964 54.000 0.095 0.000 0.831 17 D CB -0.140 40.710 40.800 0.083 0.000 0.981 17 D HN 0.344 nan 8.370 nan 0.000 0.500 18 T N 0.260 114.850 114.554 0.060 0.000 2.720 18 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 18 T C 1.316 176.006 174.700 -0.017 0.000 1.037 18 T CA 1.168 63.240 62.100 -0.047 0.000 1.144 18 T CB -0.565 68.174 68.868 -0.214 0.000 0.864 18 T HN 0.285 nan 8.240 nan 0.000 0.444 19 F N 1.700 121.610 119.950 -0.067 0.000 2.126 19 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 19 F C 1.881 177.642 175.800 -0.065 0.000 1.096 19 F CA 1.196 59.157 58.000 -0.066 0.000 1.255 19 F CB -0.443 38.519 39.000 -0.063 0.000 0.997 19 F HN 0.070 nan 8.300 nan 0.000 0.479 20 L N -0.224 120.953 121.223 -0.077 0.000 2.072 20 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 20 L C 2.681 179.546 176.870 -0.009 0.000 1.079 20 L CA 1.228 55.996 54.840 -0.121 0.000 0.752 20 L CB -0.676 41.463 42.059 0.134 0.000 0.906 20 L HN 0.037 nan 8.230 nan 0.000 0.436 21 R N 0.151 120.678 120.500 0.046 0.000 2.083 21 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 21 R C 2.442 178.746 176.300 0.007 0.000 1.137 21 R CA 1.483 57.629 56.100 0.076 0.000 0.951 21 R CB -0.564 29.756 30.300 0.032 0.000 0.851 21 R HN 0.352 nan 8.270 nan 0.000 0.434 22 A N 1.269 124.025 122.820 -0.107 0.000 1.902 22 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 22 A C 2.389 179.860 177.584 -0.189 0.000 1.181 22 A CA 1.714 53.669 52.037 -0.137 0.000 0.623 22 A CB -0.659 18.229 19.000 -0.186 0.000 0.818 22 A HN 0.418 nan 8.150 nan 0.000 0.443 23 A N -1.479 121.110 122.820 -0.384 0.000 1.933 23 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 23 A C 1.919 179.285 177.584 -0.363 0.000 1.175 23 A CA 1.307 53.046 52.037 -0.498 0.000 0.628 23 A CB -0.877 17.623 19.000 -0.834 0.000 0.814 23 A HN 0.776 nan 8.150 nan 0.000 0.444 24 W N -1.482 119.739 121.300 -0.131 0.000 3.047 24 W HA 0.341 5.001 4.660 -0.000 0.000 0.250 24 W C 1.615 178.106 176.519 -0.048 0.000 1.314 24 W CA 0.650 57.950 57.345 -0.075 0.000 1.540 24 W CB 0.233 29.653 29.460 -0.066 0.000 1.127 24 W HN 0.583 nan 8.180 nan 0.000 0.679 25 G N 0.445 109.322 108.800 0.128 0.000 2.144 25 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 25 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 25 G C -0.077 174.879 174.900 0.092 0.000 0.988 25 G CA -0.488 44.669 45.100 0.096 0.000 0.659 25 G HN 0.298 nan 8.290 nan 0.000 0.522 26 E N 0.238 120.494 120.200 0.093 0.000 2.349 26 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 26 E C 0.345 176.984 176.600 0.065 0.000 1.064 26 E CA -0.503 55.939 56.400 0.070 0.000 0.886 26 E CB 0.820 30.556 29.700 0.061 0.000 1.036 26 E HN 0.336 nan 8.360 nan 0.000 0.413 27 E N 1.204 121.449 120.200 0.074 0.000 2.392 27 E HA 0.043 4.393 4.350 -0.000 0.000 0.264 27 E C -0.804 175.813 176.600 0.028 0.000 1.024 27 E CA 0.140 56.591 56.400 0.084 0.000 0.903 27 E CB 0.588 30.353 29.700 0.109 0.000 0.963 27 E HN 0.487 nan 8.360 nan 0.000 0.432 28 T N 0.634 115.185 114.554 -0.005 0.000 2.916 28 T HA 0.320 4.669 4.350 -0.000 0.000 0.292 28 T C 0.135 174.814 174.700 -0.034 0.000 1.064 28 T CA -0.904 61.161 62.100 -0.058 0.000 1.011 28 T CB 1.243 70.008 68.868 -0.173 0.000 1.152 28 T HN 0.263 nan 8.240 nan 0.000 0.510 29 D N -0.284 120.110 120.400 -0.011 0.000 2.317 29 D HA 0.156 4.796 4.640 -0.000 0.000 0.211 29 D C 0.314 176.723 176.300 0.180 0.000 0.966 29 D CA 1.340 55.396 54.000 0.093 0.000 0.876 29 D CB -0.096 40.801 40.800 0.161 0.000 0.927 29 D HN 0.737 nan 8.370 nan 0.000 0.519 30 Y N -3.271 117.036 120.300 0.011 0.000 2.725 30 Y HA 0.485 5.035 4.550 -0.000 0.000 0.333 30 Y C -0.766 175.157 175.900 0.039 0.000 1.242 30 Y CA -1.324 56.789 58.100 0.023 0.000 1.059 30 Y CB 0.691 39.152 38.460 0.002 0.000 1.306 30 Y HN -0.450 nan 8.280 nan 0.000 0.454 31 T N 4.906 119.542 114.554 0.136 0.000 2.743 31 T HA 0.375 4.725 4.350 -0.000 0.000 0.293 31 T C -2.657 172.081 174.700 0.064 0.000 0.945 31 T CA -1.237 60.861 62.100 -0.002 0.000 1.030 31 T CB 0.795 69.690 68.868 0.045 0.000 0.912 31 T HN 0.396 nan 8.240 nan 0.000 0.483 32 P HA 0.398 nan 4.420 nan 0.000 0.277 32 P C -0.902 176.454 177.300 0.093 0.000 1.240 32 P CA -0.452 62.718 63.100 0.116 0.000 0.798 32 P CB 1.168 32.923 31.700 0.091 0.000 0.979 33 V N 4.241 124.253 119.914 0.162 0.000 2.841 33 V HA 0.805 4.924 4.120 -0.000 0.000 0.310 33 V C -1.554 174.659 176.094 0.198 0.000 1.090 33 V CA -0.537 61.777 62.300 0.023 0.000 0.930 33 V CB 1.809 33.465 31.823 -0.278 0.000 1.014 33 V HN 0.808 nan 8.190 nan 0.000 0.425 34 W N 4.137 125.410 121.300 -0.046 0.000 3.018 34 W HA 0.779 5.439 4.660 -0.000 0.000 0.352 34 W C -2.067 174.453 176.519 0.001 0.000 1.230 34 W CA -1.348 55.970 57.345 -0.044 0.000 1.162 34 W CB 1.048 30.429 29.460 -0.133 0.000 1.483 34 W HN 0.650 nan 8.180 nan 0.000 0.584 35 C N 2.254 121.519 119.300 -0.058 0.000 2.441 35 C HA 0.509 4.969 4.460 -0.000 0.000 0.318 35 C C 0.632 175.427 174.990 -0.324 0.000 1.222 35 C CA -0.551 58.276 59.018 -0.319 0.000 1.474 35 C CB 0.792 28.414 27.740 -0.195 0.000 2.125 35 C HN 0.598 nan 8.230 nan 0.000 0.479 36 M N 2.740 122.001 119.600 -0.565 0.000 2.248 36 M HA 0.147 4.627 4.480 -0.000 0.000 0.345 36 M C 1.012 177.232 176.300 -0.134 0.000 1.243 36 M CA 0.907 56.047 55.300 -0.267 0.000 1.090 36 M CB 0.228 32.683 32.600 -0.240 0.000 1.683 36 M HN 0.743 nan 8.290 nan 0.000 0.450 37 R N 0.701 121.192 120.500 -0.016 0.000 3.641 37 R HA -0.260 4.079 4.340 -0.000 0.000 0.286 37 R C 1.191 177.547 176.300 0.094 0.000 1.153 37 R CA 1.046 57.149 56.100 0.006 0.000 0.775 37 R CB -1.920 28.336 30.300 -0.073 0.000 1.215 37 R HN 0.880 nan 8.270 nan 0.000 0.474 38 Q N -0.407 119.491 119.800 0.164 0.000 2.181 38 Q HA -0.036 4.304 4.340 -0.000 0.000 0.205 38 Q C 0.731 176.973 176.000 0.403 0.000 0.980 38 Q CA 1.612 57.591 55.803 0.295 0.000 0.862 38 Q CB 0.155 29.071 28.738 0.297 0.000 0.905 38 Q HN 0.432 nan 8.270 nan 0.000 0.429 39 A N 0.978 123.987 122.820 0.315 0.000 2.316 39 A HA 0.635 4.955 4.320 -0.000 0.000 0.311 39 A C 0.062 177.687 177.584 0.067 0.000 1.339 39 A CA 0.228 52.458 52.037 0.322 0.000 0.960 39 A CB 0.392 19.683 19.000 0.486 0.000 1.152 39 A HN 0.445 nan 8.150 nan 0.000 0.547 40 G N 0.933 109.469 108.800 -0.441 0.000 2.559 40 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 40 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 40 G C 0.109 174.316 174.900 -1.156 0.000 1.424 40 G CA -0.839 43.674 45.100 -0.978 0.000 0.786 40 G HN 0.503 nan 8.290 nan 0.000 0.485 41 R N -0.766 119.286 120.500 -0.747 0.000 2.316 41 R HA -0.021 4.319 4.340 -0.000 0.000 0.202 41 R C 1.939 178.187 176.300 -0.087 0.000 1.029 41 R CA 1.317 57.259 56.100 -0.264 0.000 1.018 41 R CB -0.306 29.969 30.300 -0.041 0.000 0.888 41 R HN 0.690 nan 8.270 nan 0.000 0.471 42 Y N -0.639 119.587 120.300 -0.123 0.000 2.421 42 Y HA 0.052 4.602 4.550 -0.000 0.000 0.292 42 Y C 0.435 176.340 175.900 0.009 0.000 1.136 42 Y CA 0.059 58.135 58.100 -0.040 0.000 1.255 42 Y CB -0.135 38.297 38.460 -0.047 0.000 0.991 42 Y HN -0.150 nan 8.280 nan 0.000 0.552 43 L N 3.066 123.805 121.223 -0.805 0.000 2.281 43 L HA 0.218 4.558 4.340 -0.000 0.000 0.285 43 L C -1.554 175.231 176.870 -0.142 0.000 1.074 43 L CA -2.017 52.530 54.840 -0.487 0.000 0.817 43 L CB 1.129 42.899 42.059 -0.482 0.000 1.168 43 L HN -0.053 nan 8.230 nan 0.000 0.434 44 P HA -0.199 nan 4.420 nan 0.000 0.216 44 P C 1.231 178.524 177.300 -0.012 0.000 1.150 44 P CA 1.006 64.092 63.100 -0.024 0.000 0.837 44 P CB 0.127 31.813 31.700 -0.024 0.000 0.786 45 E N -0.604 119.576 120.200 -0.033 0.000 2.204 45 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 45 E C 1.988 178.575 176.600 -0.021 0.000 0.989 45 E CA 0.973 57.350 56.400 -0.038 0.000 0.824 45 E CB -1.437 28.229 29.700 -0.057 0.000 0.756 45 E HN 0.281 nan 8.360 nan 0.000 0.477 46 F N 2.334 122.196 119.950 -0.146 0.000 2.102 46 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 46 F C 2.565 178.297 175.800 -0.112 0.000 1.105 46 F CA 1.549 59.463 58.000 -0.144 0.000 1.239 46 F CB 0.036 38.951 39.000 -0.142 0.000 0.991 46 F HN -0.167 nan 8.300 nan 0.000 0.474 47 R N 0.085 120.705 120.500 0.199 0.000 2.081 47 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 47 R C 2.186 178.462 176.300 -0.039 0.000 1.131 47 R CA 1.790 57.951 56.100 0.103 0.000 0.960 47 R CB -0.615 29.747 30.300 0.104 0.000 0.856 47 R HN 0.395 nan 8.270 nan 0.000 0.436 48 E N 0.164 120.334 120.200 -0.050 0.000 2.058 48 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 48 E C 1.639 178.165 176.600 -0.124 0.000 0.997 48 E CA 2.052 58.408 56.400 -0.073 0.000 0.801 48 E CB -0.014 29.649 29.700 -0.061 0.000 0.746 48 E HN 0.139 nan 8.360 nan 0.000 0.450 49 T N 0.529 114.971 114.554 -0.187 0.000 2.821 49 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 49 T C 1.762 176.286 174.700 -0.293 0.000 1.046 49 T CA 0.961 62.914 62.100 -0.245 0.000 1.139 49 T CB -0.103 68.577 68.868 -0.313 0.000 0.871 49 T HN 0.101 nan 8.240 nan 0.000 0.454 50 R N 1.059 121.335 120.500 -0.373 0.000 2.148 50 R HA 0.177 4.517 4.340 -0.000 0.000 0.223 50 R C 2.674 178.878 176.300 -0.159 0.000 1.088 50 R CA 0.976 56.880 56.100 -0.328 0.000 0.985 50 R CB -0.774 29.298 30.300 -0.380 0.000 0.880 50 R HN 0.404 nan 8.270 nan 0.000 0.451 51 A N 1.333 124.083 122.820 -0.117 0.000 2.024 51 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 51 A C 2.364 179.911 177.584 -0.061 0.000 1.164 51 A CA 1.716 53.715 52.037 -0.063 0.000 0.643 51 A CB -0.425 18.546 19.000 -0.048 0.000 0.806 51 A HN 0.337 nan 8.150 nan 0.000 0.451 52 A N -1.316 121.455 122.820 -0.083 0.000 1.940 52 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 52 A C 1.263 178.809 177.584 -0.063 0.000 1.176 52 A CA 1.658 53.651 52.037 -0.072 0.000 0.631 52 A CB -0.174 18.774 19.000 -0.087 0.000 0.814 52 A HN 0.661 nan 8.150 nan 0.000 0.446 53 Q N -0.638 119.118 119.800 -0.074 0.000 2.552 53 Q HA 0.411 4.751 4.340 -0.000 0.000 0.289 53 Q C -1.019 174.965 176.000 -0.027 0.000 1.097 53 Q CA -0.637 55.134 55.803 -0.054 0.000 0.812 53 Q CB 1.097 29.791 28.738 -0.074 0.000 1.460 53 Q HN 0.521 nan 8.270 nan 0.000 0.452 54 D N -0.098 120.302 120.400 0.001 0.000 2.344 54 D HA -0.016 4.624 4.640 -0.000 0.000 0.244 54 D C 0.207 176.539 176.300 0.054 0.000 1.134 54 D CA -0.341 53.690 54.000 0.051 0.000 0.930 54 D CB 0.789 41.635 40.800 0.077 0.000 1.175 54 D HN 0.538 nan 8.370 nan 0.000 0.437 55 F N 0.607 120.507 119.950 -0.084 0.000 2.095 55 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 55 F C 1.772 177.434 175.800 -0.229 0.000 1.104 55 F CA 1.298 59.188 58.000 -0.184 0.000 1.232 55 F CB -0.304 38.477 39.000 -0.365 0.000 0.987 55 F HN 0.287 nan 8.300 nan 0.000 0.475 56 F N -0.692 119.308 119.950 0.083 0.000 2.407 56 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 56 F C 2.817 178.515 175.800 -0.169 0.000 1.097 56 F CA 1.161 59.121 58.000 -0.066 0.000 1.422 56 F CB -0.850 38.172 39.000 0.038 0.000 1.067 56 F HN 0.021 nan 8.300 nan 0.000 0.539 57 S N -0.597 115.101 115.700 -0.003 0.000 2.387 57 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 57 S C 2.149 176.673 174.600 -0.127 0.000 1.026 57 S CA 1.729 59.883 58.200 -0.077 0.000 0.972 57 S CB -0.401 62.772 63.200 -0.045 0.000 0.814 57 S HN 0.312 nan 8.310 nan 0.000 0.477 58 T N 1.070 115.533 114.554 -0.151 0.000 2.720 58 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 58 T C 1.931 176.572 174.700 -0.098 0.000 1.037 58 T CA 1.555 63.558 62.100 -0.162 0.000 1.144 58 T CB -0.748 67.985 68.868 -0.225 0.000 0.864 58 T HN 0.505 nan 8.240 nan 0.000 0.444 59 C N 1.250 120.460 119.300 -0.150 0.000 2.410 59 C HA -0.006 4.454 4.460 -0.000 0.000 0.281 59 C C 2.544 177.550 174.990 0.027 0.000 1.318 59 C CA 0.483 59.482 59.018 -0.032 0.000 1.776 59 C CB -1.106 26.568 27.740 -0.111 0.000 1.942 59 C HN 0.486 nan 8.230 nan 0.000 0.508 60 R N 0.203 120.582 120.500 -0.202 0.000 2.310 60 R HA 0.045 4.385 4.340 -0.000 0.000 0.202 60 R C 0.707 176.940 176.300 -0.110 0.000 0.933 60 R CA 0.113 55.991 56.100 -0.369 0.000 1.054 60 R CB 0.063 30.029 30.300 -0.558 0.000 0.985 60 R HN 0.355 nan 8.270 nan 0.000 0.489 61 S N 1.104 116.778 115.700 -0.045 0.000 2.461 61 S HA 0.266 4.736 4.470 -0.000 0.000 0.322 61 S C -1.985 172.631 174.600 0.026 0.000 1.063 61 S CA -2.052 56.136 58.200 -0.021 0.000 1.120 61 S CB 1.305 64.472 63.200 -0.055 0.000 0.968 61 S HN -0.124 nan 8.310 nan 0.000 0.467 62 P HA -0.123 nan 4.420 nan 0.000 0.216 62 P C 1.311 178.636 177.300 0.042 0.000 1.153 62 P CA 1.059 64.202 63.100 0.072 0.000 0.858 62 P CB 0.193 31.941 31.700 0.080 0.000 0.789 63 E N -0.576 119.632 120.200 0.014 0.000 2.106 63 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 63 E C 2.065 178.644 176.600 -0.036 0.000 0.984 63 E CA 1.390 57.787 56.400 -0.006 0.000 0.806 63 E CB -0.744 28.947 29.700 -0.015 0.000 0.750 63 E HN 0.172 nan 8.360 nan 0.000 0.458 64 A N 0.859 123.643 122.820 -0.060 0.000 1.898 64 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 64 A C 2.609 180.109 177.584 -0.140 0.000 1.181 64 A CA 1.298 53.258 52.037 -0.129 0.000 0.620 64 A CB -0.843 18.059 19.000 -0.163 0.000 0.819 64 A HN 0.325 nan 8.150 nan 0.000 0.442 65 C N -1.691 117.594 119.300 -0.026 0.000 2.429 65 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 65 C C 2.970 178.005 174.990 0.075 0.000 1.262 65 C CA 0.690 59.763 59.018 0.092 0.000 1.733 65 C CB -1.685 26.183 27.740 0.213 0.000 2.010 65 C HN 0.786 nan 8.230 nan 0.000 0.483 66 C N 1.202 120.530 119.300 0.047 0.000 2.432 66 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 66 C C 2.789 177.785 174.990 0.010 0.000 1.249 66 C CA 2.065 61.108 59.018 0.041 0.000 1.725 66 C CB -1.343 26.417 27.740 0.033 0.000 2.028 66 C HN 0.678 nan 8.230 nan 0.000 0.477 67 E N 0.658 120.837 120.200 -0.034 0.000 2.051 67 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 67 E C 1.991 178.550 176.600 -0.069 0.000 0.991 67 E CA 1.765 58.130 56.400 -0.059 0.000 0.799 67 E CB -0.616 29.028 29.700 -0.094 0.000 0.748 67 E HN 0.722 nan 8.360 nan 0.000 0.449 68 L N -0.055 121.092 121.223 -0.127 0.000 2.141 68 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 68 L C 2.436 179.349 176.870 0.072 0.000 1.094 68 L CA 1.550 56.317 54.840 -0.122 0.000 0.763 68 L CB -0.583 41.194 42.059 -0.471 0.000 0.908 68 L HN 0.193 nan 8.230 nan 0.000 0.437 69 T N 0.217 114.835 114.554 0.105 0.000 2.777 69 T HA -0.113 4.236 4.350 -0.000 0.000 0.266 69 T C 1.939 176.699 174.700 0.099 0.000 1.040 69 T CA 1.149 63.338 62.100 0.149 0.000 1.141 69 T CB -0.136 68.814 68.868 0.137 0.000 0.868 69 T HN 0.206 nan 8.240 nan 0.000 0.444 70 L N 0.587 121.843 121.223 0.055 0.000 2.240 70 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 70 L C 2.825 179.710 176.870 0.025 0.000 1.106 70 L CA 0.885 55.746 54.840 0.034 0.000 0.793 70 L CB -0.563 41.504 42.059 0.012 0.000 0.927 70 L HN 0.296 nan 8.230 nan 0.000 0.446 71 Q N 0.332 120.144 119.800 0.021 0.000 2.045 71 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 71 Q C -0.505 175.485 176.000 -0.017 0.000 0.991 71 Q CA 2.039 57.837 55.803 -0.008 0.000 0.851 71 Q CB -1.117 27.618 28.738 -0.004 0.000 0.911 71 Q HN 0.437 nan 8.270 nan 0.000 0.418 72 P HA -0.162 nan 4.420 nan 0.000 0.218 72 P C 1.157 178.499 177.300 0.070 0.000 1.149 72 P CA 1.261 64.436 63.100 0.126 0.000 0.817 72 P CB -0.130 31.769 31.700 0.331 0.000 0.785 73 L N -0.770 120.498 121.223 0.075 0.000 2.201 73 L HA -0.042 4.297 4.340 -0.000 0.000 0.212 73 L C 2.763 179.626 176.870 -0.011 0.000 1.105 73 L CA 1.139 56.017 54.840 0.063 0.000 0.775 73 L CB -0.743 41.351 42.059 0.058 0.000 0.913 73 L HN -0.068 nan 8.230 nan 0.000 0.440 74 R N -0.150 120.313 120.500 -0.062 0.000 2.189 74 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 74 R C 2.258 178.454 176.300 -0.173 0.000 1.092 74 R CA 0.746 56.792 56.100 -0.091 0.000 0.989 74 R CB -0.126 30.123 30.300 -0.083 0.000 0.876 74 R HN 0.385 nan 8.270 nan 0.000 0.457 75 R N -0.484 119.806 120.500 -0.351 0.000 2.128 75 R HA 0.139 4.479 4.340 -0.000 0.000 0.211 75 R C -0.002 175.947 176.300 -0.585 0.000 1.067 75 R CA 0.714 56.411 56.100 -0.672 0.000 1.010 75 R CB 0.413 29.874 30.300 -1.398 0.000 0.922 75 R HN 0.035 nan 8.270 nan 0.000 0.457 76 F N 0.275 120.265 119.950 0.067 0.000 2.588 76 F HA 0.345 4.872 4.527 -0.000 0.000 0.310 76 F C -2.069 173.776 175.800 0.075 0.000 1.082 76 F CA -2.779 55.263 58.000 0.069 0.000 0.929 76 F CB 1.930 40.980 39.000 0.083 0.000 1.254 76 F HN -0.225 nan 8.300 nan 0.000 0.455 77 P HA 0.149 nan 4.420 nan 0.000 0.218 77 P C -0.480 176.985 177.300 0.275 0.000 1.793 77 P CA 0.222 63.453 63.100 0.218 0.000 0.941 77 P CB -0.186 31.622 31.700 0.181 0.000 1.919 78 L N 0.910 122.279 121.223 0.244 0.000 2.461 78 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 78 L C 1.576 178.561 176.870 0.192 0.000 1.197 78 L CA 0.368 55.337 54.840 0.215 0.000 0.836 78 L CB 0.305 42.498 42.059 0.223 0.000 1.105 78 L HN 0.055 nan 8.230 nan 0.000 0.477 79 D N 1.637 122.159 120.400 0.203 0.000 2.339 79 D HA 0.236 4.876 4.640 -0.000 0.000 0.217 79 D C 0.152 176.436 176.300 -0.027 0.000 1.050 79 D CA 0.378 54.482 54.000 0.174 0.000 0.856 79 D CB 0.739 41.718 40.800 0.297 0.000 0.922 79 D HN 0.547 nan 8.370 nan 0.000 0.518 80 A N 0.199 122.922 122.820 -0.161 0.000 2.594 80 A HA 0.688 5.008 4.320 -0.000 0.000 0.295 80 A C -1.357 176.052 177.584 -0.292 0.000 1.071 80 A CA -0.584 51.174 52.037 -0.465 0.000 0.685 80 A CB 1.654 19.862 19.000 -1.320 0.000 1.285 80 A HN 0.028 nan 8.150 nan 0.000 0.405 81 A N 0.688 123.339 122.820 -0.282 0.000 2.320 81 A HA 0.815 5.135 4.320 -0.000 0.000 0.334 81 A C -0.570 176.865 177.584 -0.248 0.000 1.147 81 A CA -0.444 51.503 52.037 -0.150 0.000 0.820 81 A CB 0.721 19.681 19.000 -0.066 0.000 1.218 81 A HN 1.572 nan 8.150 nan 0.000 0.482 82 I N 1.880 122.384 120.570 -0.109 0.000 2.465 82 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 82 I C -0.725 175.465 176.117 0.120 0.000 1.014 82 I CA -1.161 60.098 61.300 -0.069 0.000 1.093 82 I CB 1.242 39.184 38.000 -0.096 0.000 1.267 82 I HN 0.697 nan 8.210 nan 0.000 0.431 83 I N 7.428 128.107 120.570 0.182 0.000 2.710 83 I HA 0.021 4.191 4.170 -0.000 0.000 0.286 83 I C -0.660 175.676 176.117 0.365 0.000 1.181 83 I CA 0.486 61.930 61.300 0.241 0.000 1.430 83 I CB 0.315 38.428 38.000 0.189 0.000 1.367 83 I HN 0.460 nan 8.210 nan 0.000 0.577 84 F N 7.934 128.011 119.950 0.212 0.000 2.502 84 F HA 0.444 4.971 4.527 -0.000 0.000 0.371 84 F C 0.439 176.376 175.800 0.229 0.000 1.083 84 F CA 0.852 58.989 58.000 0.227 0.000 1.174 84 F CB 0.223 39.310 39.000 0.145 0.000 1.096 84 F HN 0.595 nan 8.300 nan 0.000 0.545 85 S N 2.930 118.415 115.700 -0.359 0.000 2.761 85 S HA 0.795 5.265 4.470 -0.000 0.000 0.290 85 S C -0.783 173.783 174.600 -0.056 0.000 1.222 85 S CA -0.287 57.779 58.200 -0.223 0.000 0.954 85 S CB 0.768 63.950 63.200 -0.030 0.000 1.281 85 S HN 1.003 nan 8.310 nan 0.000 0.527 86 G N 0.615 109.511 108.800 0.161 0.000 2.563 86 G HA2 0.548 4.508 3.960 -0.000 0.000 0.302 86 G HA3 0.548 4.508 3.960 -0.000 0.000 0.302 86 G C 0.691 175.776 174.900 0.308 0.000 1.301 86 G CA -0.389 44.919 45.100 0.347 0.000 0.965 86 G HN 1.002 nan 8.290 nan 0.000 0.480 87 I N -0.667 120.088 120.570 0.308 0.000 2.676 87 I HA 0.079 4.249 4.170 -0.000 0.000 0.259 87 I C 1.384 177.586 176.117 0.141 0.000 1.194 87 I CA 0.811 62.249 61.300 0.231 0.000 1.473 87 I CB -0.094 38.029 38.000 0.205 0.000 1.096 87 I HN 0.301 nan 8.210 nan 0.000 0.443 88 L N 1.646 122.964 121.223 0.158 0.000 2.610 88 L HA -0.006 4.334 4.340 -0.000 0.000 0.232 88 L C 2.565 179.511 176.870 0.127 0.000 1.149 88 L CA 0.350 55.276 54.840 0.143 0.000 0.872 88 L CB -0.326 41.802 42.059 0.116 0.000 0.992 88 L HN 0.377 nan 8.230 nan 0.000 0.447 89 V N -4.143 115.869 119.914 0.164 0.000 2.594 89 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 89 V C 2.135 178.168 176.094 -0.102 0.000 1.069 89 V CA 1.279 63.614 62.300 0.058 0.000 1.082 89 V CB -0.566 31.295 31.823 0.063 0.000 0.680 89 V HN 0.184 nan 8.190 nan 0.000 0.469 90 V N 0.850 120.694 119.914 -0.116 0.000 2.255 90 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 90 V C 0.536 176.587 176.094 -0.071 0.000 1.038 90 V CA 2.519 64.722 62.300 -0.162 0.000 1.008 90 V CB -1.702 30.057 31.823 -0.107 0.000 0.645 90 V HN 0.495 nan 8.190 nan 0.000 0.449 91 P HA -0.202 nan 4.420 nan 0.000 0.216 91 P C 1.685 179.013 177.300 0.046 0.000 1.150 91 P CA 1.512 64.621 63.100 0.015 0.000 0.843 91 P CB -0.046 31.706 31.700 0.087 0.000 0.787 92 Q N -0.540 119.277 119.800 0.028 0.000 2.050 92 Q HA -0.123 4.216 4.340 -0.000 0.000 0.202 92 Q C 2.313 178.287 176.000 -0.042 0.000 0.980 92 Q CA 1.868 57.648 55.803 -0.039 0.000 0.840 92 Q CB -0.818 27.828 28.738 -0.154 0.000 0.898 92 Q HN 0.168 nan 8.270 nan 0.000 0.424 93 A N 0.412 123.194 122.820 -0.063 0.000 2.070 93 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 93 A C 1.872 179.423 177.584 -0.055 0.000 1.159 93 A CA 0.924 52.918 52.037 -0.072 0.000 0.656 93 A CB -0.442 18.469 19.000 -0.147 0.000 0.800 93 A HN 0.314 nan 8.150 nan 0.000 0.453 94 L N -1.599 119.595 121.223 -0.049 0.000 2.552 94 L HA 0.142 4.481 4.340 -0.000 0.000 0.227 94 L C 1.633 178.488 176.870 -0.024 0.000 1.146 94 L CA 0.697 55.515 54.840 -0.036 0.000 0.858 94 L CB 0.032 42.065 42.059 -0.044 0.000 0.969 94 L HN 0.593 nan 8.230 nan 0.000 0.451 95 G N -0.848 107.941 108.800 -0.018 0.000 2.154 95 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.186 95 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.186 95 G C 0.183 175.086 174.900 0.005 0.000 1.000 95 G CA -0.493 44.601 45.100 -0.009 0.000 0.664 95 G HN 0.131 nan 8.290 nan 0.000 0.513 96 M N 1.242 120.857 119.600 0.027 0.000 2.249 96 M HA 0.391 4.871 4.480 -0.000 0.000 0.351 96 M C -0.023 176.348 176.300 0.118 0.000 1.180 96 M CA -0.351 55.005 55.300 0.094 0.000 1.127 96 M CB 0.905 33.567 32.600 0.103 0.000 1.546 96 M HN -0.008 nan 8.290 nan 0.000 0.461 97 E N 2.681 122.945 120.200 0.107 0.000 2.229 97 E HA 0.396 4.746 4.350 -0.000 0.000 0.283 97 E C -1.024 175.517 176.600 -0.098 0.000 1.030 97 E CA -0.219 56.178 56.400 -0.005 0.000 0.836 97 E CB 1.334 31.030 29.700 -0.007 0.000 1.068 97 E HN 0.343 nan 8.360 nan 0.000 0.401 98 V N 2.000 121.697 119.914 -0.362 0.000 2.769 98 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 98 V C 0.266 176.117 176.094 -0.404 0.000 1.061 98 V CA -0.908 60.980 62.300 -0.686 0.000 0.931 98 V CB 2.003 33.160 31.823 -1.109 0.000 1.010 98 V HN 0.813 nan 8.190 nan 0.000 0.433 99 T N 0.828 115.236 114.554 -0.244 0.000 2.907 99 T HA 0.763 5.113 4.350 -0.000 0.000 0.292 99 T C -0.778 173.980 174.700 0.098 0.000 1.043 99 T CA -0.757 61.337 62.100 -0.011 0.000 1.003 99 T CB 1.858 70.713 68.868 -0.022 0.000 1.084 99 T HN 0.433 nan 8.240 nan 0.000 0.483 100 M N 3.313 123.018 119.600 0.176 0.000 2.055 100 M HA 0.480 4.959 4.480 -0.000 0.000 0.347 100 M C -1.012 175.306 176.300 0.030 0.000 1.123 100 M CA -1.117 54.223 55.300 0.068 0.000 1.035 100 M CB 0.360 32.963 32.600 0.005 0.000 1.484 100 M HN 0.623 nan 8.290 nan 0.000 0.428 101 V N 8.225 128.143 119.914 0.006 0.000 2.555 101 V HA 0.247 4.367 4.120 -0.000 0.000 0.286 101 V C -1.861 174.235 176.094 0.004 0.000 1.044 101 V CA -1.347 60.957 62.300 0.007 0.000 1.026 101 V CB 0.420 32.245 31.823 0.004 0.000 0.981 101 V HN 0.685 nan 8.190 nan 0.000 0.480 102 P HA -0.027 nan 4.420 nan 0.000 0.238 102 P C 0.993 178.296 177.300 0.004 0.000 1.090 102 P CA 1.590 64.695 63.100 0.008 0.000 0.944 102 P CB -0.335 31.371 31.700 0.009 0.000 0.881 103 G N 2.952 111.753 108.800 0.002 0.000 2.233 103 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.270 103 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.270 103 G C 0.812 175.709 174.900 -0.005 0.000 1.011 103 G CA 0.617 45.716 45.100 -0.002 0.000 0.762 103 G HN 0.483 nan 8.290 nan 0.000 0.511 104 K N -0.739 119.658 120.400 -0.005 0.000 2.477 104 K HA 0.516 4.836 4.320 -0.000 0.000 0.208 104 K C 1.390 177.989 176.600 -0.002 0.000 1.117 104 K CA 0.773 57.059 56.287 -0.002 0.000 1.039 104 K CB 1.010 33.513 32.500 0.004 0.000 0.937 104 K HN 1.523 nan 8.250 nan 0.000 0.570 105 G N 1.997 110.785 108.800 -0.020 0.000 2.741 105 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.222 105 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.222 105 G C -2.714 172.172 174.900 -0.023 0.000 1.364 105 G CA -0.905 44.174 45.100 -0.036 0.000 0.866 105 G HN -0.023 nan 8.290 nan 0.000 0.555 106 P HA 0.467 nan 4.420 nan 0.000 0.271 106 P C -0.375 176.921 177.300 -0.007 0.000 1.216 106 P CA 0.330 63.414 63.100 -0.027 0.000 0.776 106 P CB 1.654 33.324 31.700 -0.051 0.000 0.881 107 S N 1.944 117.584 115.700 -0.101 0.000 2.540 107 S HA 0.690 5.160 4.470 -0.000 0.000 0.275 107 S C -1.630 172.823 174.600 -0.246 0.000 1.123 107 S CA -0.582 57.582 58.200 -0.061 0.000 0.907 107 S CB 0.407 63.603 63.200 -0.006 0.000 1.081 107 S HN 0.133 nan 8.310 nan 0.000 0.476 108 F N 4.548 124.505 119.950 0.012 0.000 2.347 108 F HA 0.412 4.939 4.527 -0.000 0.000 0.366 108 F C -1.345 174.447 175.800 -0.013 0.000 1.107 108 F CA -1.851 56.139 58.000 -0.017 0.000 1.058 108 F CB 1.779 40.763 39.000 -0.028 0.000 1.236 108 F HN 0.432 nan 8.300 nan 0.000 0.456 109 P HA -0.119 nan 4.420 nan 0.000 0.226 109 P C -0.247 177.098 177.300 0.075 0.000 1.153 109 P CA 1.095 64.239 63.100 0.073 0.000 0.777 109 P CB 0.332 32.055 31.700 0.038 0.000 0.794 110 E N 0.858 121.115 120.200 0.096 0.000 3.167 110 E HA 0.250 4.600 4.350 -0.000 0.000 0.212 110 E C -2.342 174.286 176.600 0.046 0.000 1.143 110 E CA -2.087 54.350 56.400 0.062 0.000 1.002 110 E CB 0.397 30.126 29.700 0.048 0.000 1.315 110 E HN 0.321 nan 8.360 nan 0.000 0.422 111 P HA 0.021 nan 4.420 nan 0.000 0.272 111 P C -0.229 177.024 177.300 -0.078 0.000 1.240 111 P CA -0.310 62.751 63.100 -0.066 0.000 0.791 111 P CB 0.985 32.649 31.700 -0.061 0.000 0.978 112 L N 2.370 123.493 121.223 -0.167 0.000 2.361 112 L HA 0.188 4.528 4.340 -0.000 0.000 0.278 112 L C 1.719 178.592 176.870 0.006 0.000 1.113 112 L CA -0.021 54.758 54.840 -0.101 0.000 0.849 112 L CB 0.214 42.120 42.059 -0.257 0.000 1.155 112 L HN 0.351 nan 8.230 nan 0.000 0.452 113 R N 1.644 122.267 120.500 0.204 0.000 2.507 113 R HA 0.165 4.505 4.340 -0.000 0.000 0.230 113 R C 0.112 176.670 176.300 0.431 0.000 0.897 113 R CA 0.225 56.529 56.100 0.341 0.000 1.006 113 R CB 0.767 31.167 30.300 0.166 0.000 1.341 113 R HN 0.781 nan 8.270 nan 0.000 0.604 114 E N -0.360 120.025 120.200 0.308 0.000 2.378 114 E HA 0.243 4.593 4.350 -0.000 0.000 0.265 114 E C -0.042 176.621 176.600 0.104 0.000 0.932 114 E CA -0.638 55.823 56.400 0.102 0.000 0.795 114 E CB 1.581 31.293 29.700 0.020 0.000 1.296 114 E HN -0.140 nan 8.360 nan 0.000 0.438 115 E N 0.400 120.532 120.200 -0.113 0.000 2.118 115 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 115 E C 1.914 178.544 176.600 0.051 0.000 0.992 115 E CA 1.582 57.941 56.400 -0.068 0.000 0.804 115 E CB 0.106 29.721 29.700 -0.142 0.000 0.741 115 E HN 0.635 nan 8.360 nan 0.000 0.458 116 Q N 0.113 119.932 119.800 0.032 0.000 2.291 116 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 116 Q C 1.121 177.157 176.000 0.060 0.000 0.976 116 Q CA 1.465 57.291 55.803 0.038 0.000 0.875 116 Q CB 0.130 28.881 28.738 0.023 0.000 0.927 116 Q HN 0.290 nan 8.270 nan 0.000 0.450 117 D N 0.496 120.952 120.400 0.093 0.000 2.263 117 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 117 D C 1.744 178.088 176.300 0.074 0.000 0.971 117 D CA 0.665 54.716 54.000 0.085 0.000 0.867 117 D CB -0.062 40.803 40.800 0.109 0.000 0.929 117 D HN 0.366 nan 8.370 nan 0.000 0.492 118 L N 0.701 121.987 121.223 0.105 0.000 2.187 118 L HA -0.158 4.181 4.340 -0.000 0.000 0.213 118 L C 2.095 178.992 176.870 0.046 0.000 1.100 118 L CA 1.002 55.889 54.840 0.078 0.000 0.765 118 L CB -0.451 41.673 42.059 0.109 0.000 0.904 118 L HN 0.016 nan 8.230 nan 0.000 0.437 119 E N 0.338 120.564 120.200 0.043 0.000 2.265 119 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 119 E C 2.159 178.772 176.600 0.022 0.000 0.996 119 E CA 0.967 57.386 56.400 0.030 0.000 0.832 119 E CB -0.083 29.634 29.700 0.028 0.000 0.756 119 E HN 0.529 nan 8.360 nan 0.000 0.491 120 R N 0.861 121.372 120.500 0.019 0.000 2.189 120 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 120 R C 0.621 176.923 176.300 0.004 0.000 1.074 120 R CA 0.278 56.385 56.100 0.011 0.000 0.991 120 R CB -0.273 30.032 30.300 0.009 0.000 0.883 120 R HN 0.017 nan 8.270 nan 0.000 0.457 121 L N 2.377 123.601 121.223 0.003 0.000 2.417 121 L HA 0.250 4.590 4.340 -0.000 0.000 0.268 121 L C 0.590 177.461 176.870 0.001 0.000 1.158 121 L CA -0.672 54.165 54.840 -0.005 0.000 0.819 121 L CB 0.630 42.682 42.059 -0.011 0.000 1.112 121 L HN 0.176 nan 8.230 nan 0.000 0.458 122 R N 0.822 121.321 120.500 -0.003 0.000 2.784 122 R HA -0.007 4.333 4.340 -0.000 0.000 0.266 122 R C -0.176 176.129 176.300 0.008 0.000 1.044 122 R CA -0.518 55.583 56.100 0.002 0.000 1.151 122 R CB 0.277 30.575 30.300 -0.003 0.000 1.037 122 R HN 0.523 nan 8.270 nan 0.000 0.478 123 D N 2.616 123.024 120.400 0.014 0.000 2.450 123 D HA -0.019 4.621 4.640 -0.000 0.000 0.247 123 D C -1.391 174.922 176.300 0.021 0.000 1.162 123 D CA -1.632 52.381 54.000 0.021 0.000 0.879 123 D CB 1.042 41.856 40.800 0.023 0.000 1.163 123 D HN 0.232 nan 8.370 nan 0.000 0.472 124 P HA -0.135 nan 4.420 nan 0.000 0.219 124 P C 0.763 178.087 177.300 0.040 0.000 1.146 124 P CA 0.943 64.062 63.100 0.031 0.000 0.808 124 P CB 0.299 32.024 31.700 0.042 0.000 0.779 125 E N -0.191 120.034 120.200 0.042 0.000 2.409 125 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 125 E C 1.738 178.366 176.600 0.046 0.000 1.024 125 E CA 0.757 57.185 56.400 0.048 0.000 0.861 125 E CB -0.199 29.527 29.700 0.043 0.000 0.788 125 E HN 0.218 nan 8.360 nan 0.000 0.521 126 V N -3.160 116.775 119.914 0.035 0.000 3.650 126 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 126 V C 1.844 177.950 176.094 0.020 0.000 1.281 126 V CA 0.207 62.526 62.300 0.031 0.000 1.120 126 V CB 0.267 32.104 31.823 0.022 0.000 0.856 126 V HN -0.016 nan 8.190 nan 0.000 0.443 127 V N 1.653 121.573 119.914 0.010 0.000 2.332 127 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 127 V C 3.162 179.231 176.094 -0.041 0.000 1.055 127 V CA 2.496 64.777 62.300 -0.032 0.000 1.038 127 V CB -1.215 30.578 31.823 -0.050 0.000 0.651 127 V HN 0.682 nan 8.190 nan 0.000 0.450 128 A N 0.713 123.567 122.820 0.057 0.000 1.940 128 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 128 A C 2.550 180.198 177.584 0.107 0.000 1.176 128 A CA 2.418 54.555 52.037 0.167 0.000 0.631 128 A CB -0.796 18.396 19.000 0.320 0.000 0.814 128 A HN 0.716 nan 8.150 nan 0.000 0.446 129 S N -0.273 115.480 115.700 0.087 0.000 2.382 129 S HA -0.153 4.316 4.470 -0.000 0.000 0.228 129 S C 1.496 176.094 174.600 -0.003 0.000 1.027 129 S CA 1.329 59.571 58.200 0.069 0.000 0.991 129 S CB -0.371 62.868 63.200 0.064 0.000 0.823 129 S HN 0.549 nan 8.310 nan 0.000 0.469 130 E N 1.188 121.364 120.200 -0.041 0.000 2.347 130 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 130 E C 1.246 177.766 176.600 -0.133 0.000 1.008 130 E CA 0.492 56.863 56.400 -0.048 0.000 0.852 130 E CB -0.197 29.475 29.700 -0.046 0.000 0.783 130 E HN 0.600 nan 8.360 nan 0.000 0.505 131 L N -0.089 120.921 121.223 -0.355 0.000 2.872 131 L HA 0.241 4.581 4.340 -0.000 0.000 0.245 131 L C 1.871 178.136 176.870 -1.008 0.000 1.211 131 L CA -0.195 54.172 54.840 -0.789 0.000 1.013 131 L CB 0.327 41.859 42.059 -0.877 0.000 1.326 131 L HN 0.037 nan 8.230 nan 0.000 0.525 132 G N 0.827 109.322 108.800 -0.508 0.000 2.469 132 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.220 132 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.220 132 G C 1.350 176.136 174.900 -0.190 0.000 1.136 132 G CA 1.383 46.320 45.100 -0.271 0.000 0.759 132 G HN 0.615 nan 8.290 nan 0.000 0.562 133 Y N 0.440 120.655 120.300 -0.142 0.000 2.256 133 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 133 Y C 2.403 178.268 175.900 -0.057 0.000 1.155 133 Y CA 0.963 59.021 58.100 -0.069 0.000 1.203 133 Y CB -0.827 37.598 38.460 -0.059 0.000 0.980 133 Y HN 0.030 nan 8.280 nan 0.000 0.530 134 V N 0.770 120.357 119.914 -0.544 0.000 2.358 134 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 134 V C 2.294 178.383 176.094 -0.010 0.000 1.047 134 V CA 1.975 64.109 62.300 -0.276 0.000 1.035 134 V CB -1.044 30.562 31.823 -0.362 0.000 0.658 134 V HN 0.510 nan 8.190 nan 0.000 0.452 135 F N 0.210 120.147 119.950 -0.021 0.000 2.134 135 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 135 F C 2.748 178.576 175.800 0.046 0.000 1.097 135 F CA 1.326 59.335 58.000 0.014 0.000 1.264 135 F CB -0.438 38.577 39.000 0.024 0.000 1.001 135 F HN 0.148 nan 8.300 nan 0.000 0.479 136 Q N 0.606 120.541 119.800 0.226 0.000 2.096 136 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 136 Q C 2.557 178.644 176.000 0.145 0.000 0.982 136 Q CA 1.445 57.350 55.803 0.171 0.000 0.850 136 Q CB -0.428 28.396 28.738 0.144 0.000 0.901 136 Q HN 0.466 nan 8.270 nan 0.000 0.422 137 A N 0.819 123.723 122.820 0.139 0.000 1.902 137 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 137 A C 2.030 179.680 177.584 0.110 0.000 1.181 137 A CA 1.177 53.289 52.037 0.125 0.000 0.623 137 A CB -0.592 18.492 19.000 0.141 0.000 0.818 137 A HN 0.306 nan 8.150 nan 0.000 0.443 138 I N -0.747 119.892 120.570 0.115 0.000 2.202 138 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 138 I C 2.605 178.750 176.117 0.047 0.000 1.091 138 I CA 1.732 63.075 61.300 0.072 0.000 1.368 138 I CB -0.592 37.454 38.000 0.076 0.000 1.058 138 I HN 0.245 nan 8.210 nan 0.000 0.410 139 T N 1.217 115.841 114.554 0.117 0.000 2.746 139 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 139 T C 1.858 176.666 174.700 0.179 0.000 1.039 139 T CA 1.290 63.505 62.100 0.192 0.000 1.142 139 T CB -0.328 68.692 68.868 0.254 0.000 0.866 139 T HN 0.160 nan 8.240 nan 0.000 0.444 140 L N 1.116 122.418 121.223 0.132 0.000 2.012 140 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 140 L C 2.475 179.391 176.870 0.078 0.000 1.073 140 L CA 1.897 56.800 54.840 0.105 0.000 0.748 140 L CB -1.187 40.923 42.059 0.085 0.000 0.891 140 L HN 0.191 nan 8.230 nan 0.000 0.431 141 T N -0.920 113.668 114.554 0.056 0.000 2.821 141 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 141 T C 1.965 176.664 174.700 -0.001 0.000 1.046 141 T CA 1.432 63.552 62.100 0.032 0.000 1.139 141 T CB -0.232 68.659 68.868 0.038 0.000 0.871 141 T HN 0.257 nan 8.240 nan 0.000 0.454 142 R N 1.385 121.853 120.500 -0.052 0.000 2.091 142 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 142 R C 2.379 178.672 176.300 -0.012 0.000 1.136 142 R CA 1.630 57.635 56.100 -0.158 0.000 0.959 142 R CB -0.380 29.608 30.300 -0.521 0.000 0.856 142 R HN 0.470 nan 8.270 nan 0.000 0.437 143 Q N -0.512 119.360 119.800 0.120 0.000 2.020 143 Q HA -0.100 4.239 4.340 -0.000 0.000 0.202 143 Q C 2.175 178.231 176.000 0.093 0.000 0.982 143 Q CA 1.403 57.313 55.803 0.180 0.000 0.838 143 Q CB -0.117 28.733 28.738 0.186 0.000 0.899 143 Q HN 0.228 nan 8.270 nan 0.000 0.423 144 R N 0.554 121.093 120.500 0.064 0.000 2.092 144 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 144 R C 2.281 178.599 176.300 0.031 0.000 1.119 144 R CA 0.807 56.932 56.100 0.043 0.000 0.970 144 R CB -0.542 29.779 30.300 0.034 0.000 0.864 144 R HN 0.316 nan 8.270 nan 0.000 0.440 145 L N 0.511 121.748 121.223 0.022 0.000 2.131 145 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 145 L C 1.161 178.044 176.870 0.021 0.000 1.092 145 L CA 1.049 55.897 54.840 0.013 0.000 0.759 145 L CB -0.398 41.657 42.059 -0.007 0.000 0.903 145 L HN 0.262 nan 8.230 nan 0.000 0.435 146 A N -0.193 122.648 122.820 0.035 0.000 2.832 146 A HA -0.148 4.172 4.320 -0.000 0.000 0.280 146 A C 1.297 178.905 177.584 0.040 0.000 1.464 146 A CA 0.833 52.898 52.037 0.046 0.000 0.804 146 A CB -2.100 16.923 19.000 0.038 0.000 1.020 146 A HN 1.027 nan 8.150 nan 0.000 0.563 147 G N -1.705 107.114 108.800 0.033 0.000 2.143 147 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.249 147 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.249 147 G C 0.815 175.731 174.900 0.027 0.000 0.981 147 G CA 1.389 46.508 45.100 0.031 0.000 0.665 147 G HN 1.399 nan 8.290 nan 0.000 0.528 148 R N 0.026 120.539 120.500 0.022 0.000 2.082 148 R HA 0.155 4.495 4.340 -0.000 0.000 0.234 148 R C 1.381 177.698 176.300 0.029 0.000 1.136 148 R CA 2.505 58.620 56.100 0.025 0.000 0.935 148 R CB -0.175 30.139 30.300 0.022 0.000 0.842 148 R HN 1.116 nan 8.270 nan 0.000 0.430 149 V N -3.883 116.039 119.914 0.013 0.000 3.206 149 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 149 V C -2.847 173.228 176.094 -0.031 0.000 1.257 149 V CA -2.779 59.524 62.300 0.005 0.000 1.057 149 V CB 1.787 33.606 31.823 -0.007 0.000 1.075 149 V HN 0.006 nan 8.190 nan 0.000 0.443 150 P HA 0.431 nan 4.420 nan 0.000 0.272 150 P C -1.028 176.172 177.300 -0.166 0.000 1.223 150 P CA -0.159 62.904 63.100 -0.061 0.000 0.784 150 P CB 0.627 32.353 31.700 0.043 0.000 0.923 151 L N 3.248 124.385 121.223 -0.143 0.000 2.287 151 L HA 0.448 4.788 4.340 -0.000 0.000 0.287 151 L C -0.769 176.006 176.870 -0.158 0.000 1.022 151 L CA -0.401 54.343 54.840 -0.159 0.000 0.814 151 L CB 0.282 42.267 42.059 -0.123 0.000 1.217 151 L HN 0.214 nan 8.230 nan 0.000 0.420 152 I N 4.928 125.365 120.570 -0.221 0.000 2.331 152 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 152 I C 0.917 177.035 176.117 0.001 0.000 0.998 152 I CA -0.245 60.952 61.300 -0.172 0.000 1.267 152 I CB 1.357 39.112 38.000 -0.409 0.000 1.386 152 I HN 0.752 nan 8.210 nan 0.000 0.476 153 G N 5.327 114.155 108.800 0.046 0.000 2.462 153 G HA2 0.741 4.701 3.960 -0.000 0.000 0.319 153 G HA3 0.741 4.701 3.960 -0.000 0.000 0.319 153 G C -1.073 173.969 174.900 0.237 0.000 1.171 153 G CA -0.331 44.822 45.100 0.090 0.000 0.920 153 G HN 0.619 nan 8.290 nan 0.000 0.499 154 F N -1.658 118.329 119.950 0.062 0.000 2.713 154 F HA 0.849 5.376 4.527 -0.000 0.000 0.311 154 F C -0.577 175.342 175.800 0.199 0.000 1.141 154 F CA -1.119 57.003 58.000 0.203 0.000 0.939 154 F CB 1.295 40.554 39.000 0.432 0.000 1.325 154 F HN 0.997 nan 8.300 nan 0.000 0.453 155 A N 0.637 123.697 122.820 0.401 0.000 2.610 155 A HA 0.767 5.087 4.320 -0.000 0.000 0.291 155 A C -0.644 177.258 177.584 0.531 0.000 1.086 155 A CA -0.513 51.727 52.037 0.338 0.000 0.677 155 A CB 0.881 20.049 19.000 0.280 0.000 1.278 155 A HN 1.823 nan 8.150 nan 0.000 0.414 156 G N -0.050 108.997 108.800 0.410 0.000 2.467 156 G HA2 0.644 4.604 3.960 -0.000 0.000 0.257 156 G HA3 0.644 4.604 3.960 -0.000 0.000 0.257 156 G C 0.399 175.484 174.900 0.307 0.000 1.227 156 G CA 0.424 45.748 45.100 0.374 0.000 0.835 156 G HN 1.734 nan 8.290 nan 0.000 0.556 157 A N 3.072 126.067 122.820 0.292 0.000 2.332 157 A HA 0.586 4.906 4.320 -0.000 0.000 0.258 157 A C -0.853 176.855 177.584 0.208 0.000 1.087 157 A CA -1.025 51.161 52.037 0.247 0.000 0.802 157 A CB 0.693 19.835 19.000 0.237 0.000 1.042 157 A HN 0.450 nan 8.150 nan 0.000 0.489 158 P HA -0.199 nan 4.420 nan 0.000 0.214 158 P C 1.572 178.950 177.300 0.131 0.000 1.163 158 P CA 1.731 64.906 63.100 0.124 0.000 0.889 158 P CB -0.189 31.566 31.700 0.092 0.000 0.790 159 W N 0.192 121.513 121.300 0.035 0.000 2.335 159 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 159 W C 1.463 178.027 176.519 0.074 0.000 1.213 159 W CA 1.898 59.258 57.345 0.025 0.000 1.274 159 W CB -1.137 28.343 29.460 0.034 0.000 1.148 159 W HN -0.062 nan 8.180 nan 0.000 0.498 160 T N 2.361 116.865 114.554 -0.083 0.000 2.746 160 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 160 T C 1.998 176.694 174.700 -0.006 0.000 1.039 160 T CA 1.924 63.953 62.100 -0.117 0.000 1.142 160 T CB -0.584 68.371 68.868 0.144 0.000 0.866 160 T HN 0.140 nan 8.240 nan 0.000 0.444 161 L N 0.618 121.878 121.223 0.061 0.000 2.042 161 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 161 L C 2.660 179.471 176.870 -0.098 0.000 1.076 161 L CA 1.399 56.281 54.840 0.071 0.000 0.749 161 L CB -0.594 41.499 42.059 0.058 0.000 0.893 161 L HN 0.342 nan 8.230 nan 0.000 0.432 162 M N 0.193 119.659 119.600 -0.224 0.000 2.108 162 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 162 M C 2.448 178.436 176.300 -0.519 0.000 1.066 162 M CA 2.518 57.600 55.300 -0.363 0.000 1.107 162 M CB -0.303 32.119 32.600 -0.297 0.000 1.356 162 M HN 0.430 nan 8.290 nan 0.000 0.406 163 T N -1.529 112.605 114.554 -0.700 0.000 2.684 163 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 163 T C 1.548 175.942 174.700 -0.509 0.000 1.036 163 T CA 1.778 63.431 62.100 -0.746 0.000 1.148 163 T CB -1.247 67.073 68.868 -0.913 0.000 0.863 163 T HN 0.597 nan 8.240 nan 0.000 0.436 164 Y N 1.342 121.475 120.300 -0.278 0.000 2.224 164 Y HA 0.080 4.630 4.550 -0.000 0.000 0.289 164 Y C 2.837 178.518 175.900 -0.364 0.000 1.146 164 Y CA 1.382 59.403 58.100 -0.132 0.000 1.182 164 Y CB -0.464 38.057 38.460 0.102 0.000 0.983 164 Y HN 0.176 nan 8.280 nan 0.000 0.524 165 M N -1.457 117.890 119.600 -0.421 0.000 2.229 165 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 165 M C 1.834 177.804 176.300 -0.549 0.000 1.063 165 M CA 1.076 55.954 55.300 -0.704 0.000 1.114 165 M CB -0.251 32.006 32.600 -0.573 0.000 1.387 165 M HN 0.079 nan 8.290 nan 0.000 0.420 166 V N -0.567 119.039 119.914 -0.513 0.000 2.426 166 V HA -0.086 4.033 4.120 -0.000 0.000 0.242 166 V C 2.240 178.152 176.094 -0.303 0.000 1.036 166 V CA 1.248 63.244 62.300 -0.507 0.000 1.044 166 V CB -0.416 30.947 31.823 -0.767 0.000 0.688 166 V HN 0.318 nan 8.190 nan 0.000 0.462 167 E N 0.452 120.486 120.200 -0.277 0.000 2.152 167 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 167 E C 1.912 178.466 176.600 -0.076 0.000 0.983 167 E CA 1.074 57.368 56.400 -0.177 0.000 0.818 167 E CB -0.270 29.291 29.700 -0.231 0.000 0.758 167 E HN 0.658 nan 8.360 nan 0.000 0.467 168 G N 0.290 109.078 108.800 -0.020 0.000 2.141 168 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.242 168 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.242 168 G C 0.534 175.599 174.900 0.275 0.000 0.982 168 G CA 0.631 45.833 45.100 0.170 0.000 0.662 168 G HN 0.753 nan 8.290 nan 0.000 0.527 169 G N -1.844 107.093 108.800 0.227 0.000 2.351 169 G HA2 0.624 4.584 3.960 -0.000 0.000 0.279 169 G HA3 0.624 4.584 3.960 -0.000 0.000 0.279 169 G C 0.367 175.271 174.900 0.007 0.000 1.297 169 G CA 0.644 45.892 45.100 0.247 0.000 0.886 169 G HN 1.763 nan 8.290 nan 0.000 0.493 170 G N -0.751 108.064 108.800 0.024 0.000 2.594 170 G HA2 0.582 4.542 3.960 -0.000 0.000 0.243 170 G HA3 0.582 4.542 3.960 -0.000 0.000 0.243 170 G C 0.124 174.937 174.900 -0.144 0.000 1.229 170 G CA 1.145 46.176 45.100 -0.115 0.000 0.843 170 G HN 1.657 nan 8.290 nan 0.000 0.578 171 S N -1.530 114.048 115.700 -0.203 0.000 2.537 171 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 171 S C 0.994 175.494 174.600 -0.168 0.000 1.142 171 S CA 0.235 58.329 58.200 -0.177 0.000 0.870 171 S CB 1.410 64.469 63.200 -0.235 0.000 1.112 171 S HN 1.246 nan 8.310 nan 0.000 0.466 172 S N 1.768 117.395 115.700 -0.122 0.000 2.522 172 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 172 S C 1.291 175.748 174.600 -0.238 0.000 0.986 172 S CA 1.291 59.431 58.200 -0.099 0.000 0.929 172 S CB -0.504 62.676 63.200 -0.033 0.000 0.769 172 S HN 1.037 nan 8.310 nan 0.000 0.529 173 T N -3.001 111.372 114.554 -0.303 0.000 2.966 173 T HA 0.320 4.670 4.350 -0.000 0.000 0.254 173 T C 0.647 175.137 174.700 -0.351 0.000 0.961 173 T CA 0.097 62.013 62.100 -0.307 0.000 0.915 173 T CB -0.103 68.686 68.868 -0.132 0.000 1.186 173 T HN 0.145 nan 8.240 nan 0.000 0.505 174 M N 0.932 120.332 119.600 -0.334 0.000 2.393 174 M HA -0.207 4.272 4.480 -0.000 0.000 0.201 174 M C 1.338 177.610 176.300 -0.045 0.000 0.403 174 M CA 0.732 55.920 55.300 -0.186 0.000 0.471 174 M CB -2.569 29.997 32.600 -0.056 0.000 1.669 174 M HN 0.618 nan 8.290 nan 0.000 0.864 175 A N -0.349 122.440 122.820 -0.052 0.000 1.969 175 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 175 A C 2.055 179.668 177.584 0.048 0.000 1.169 175 A CA 1.857 53.899 52.037 0.009 0.000 0.635 175 A CB -0.184 18.811 19.000 -0.008 0.000 0.810 175 A HN 0.756 nan 8.150 nan 0.000 0.445 176 Q N -0.747 119.062 119.800 0.016 0.000 2.096 176 Q HA 0.036 4.376 4.340 -0.000 0.000 0.197 176 Q C 2.398 178.452 176.000 0.089 0.000 0.964 176 Q CA 1.114 56.950 55.803 0.056 0.000 0.838 176 Q CB -0.308 28.432 28.738 0.005 0.000 0.906 176 Q HN 0.648 nan 8.270 nan 0.000 0.444 177 A N 1.625 124.439 122.820 -0.010 0.000 1.929 177 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 177 A C 1.900 179.628 177.584 0.240 0.000 1.176 177 A CA 1.246 53.276 52.037 -0.013 0.000 0.628 177 A CB -0.175 18.697 19.000 -0.213 0.000 0.816 177 A HN 0.137 nan 8.150 nan 0.000 0.444 178 K N -0.774 119.776 120.400 0.250 0.000 2.155 178 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 178 K C 2.277 179.002 176.600 0.210 0.000 1.052 178 K CA 1.213 57.618 56.287 0.196 0.000 0.948 178 K CB -0.113 32.511 32.500 0.207 0.000 0.728 178 K HN 0.431 nan 8.250 nan 0.000 0.448 179 R N 0.072 120.706 120.500 0.223 0.000 2.081 179 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 179 R C 1.691 178.109 176.300 0.197 0.000 1.131 179 R CA 1.563 57.790 56.100 0.211 0.000 0.960 179 R CB -0.184 30.210 30.300 0.157 0.000 0.856 179 R HN 0.227 nan 8.270 nan 0.000 0.436 180 W N 0.935 122.219 121.300 -0.026 0.000 2.318 180 W HA -0.178 4.482 4.660 -0.000 0.000 0.313 180 W C 1.916 178.320 176.519 -0.191 0.000 1.221 180 W CA 1.367 58.664 57.345 -0.080 0.000 1.266 180 W CB -0.581 28.829 29.460 -0.084 0.000 1.150 180 W HN 0.102 nan 8.180 nan 0.000 0.496 181 L N -1.828 119.327 121.223 -0.114 0.000 2.042 181 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 181 L C 2.116 178.734 176.870 -0.421 0.000 1.076 181 L CA 1.515 55.957 54.840 -0.664 0.000 0.749 181 L CB -1.101 40.338 42.059 -1.033 0.000 0.893 181 L HN 0.068 nan 8.230 nan 0.000 0.432 182 Y N -0.561 119.674 120.300 -0.108 0.000 2.314 182 Y HA -0.102 4.448 4.550 -0.000 0.000 0.294 182 Y C 2.694 178.580 175.900 -0.024 0.000 1.119 182 Y CA 0.718 58.801 58.100 -0.028 0.000 1.179 182 Y CB 0.172 38.623 38.460 -0.015 0.000 1.025 182 Y HN 0.165 nan 8.280 nan 0.000 0.541 183 Q N -0.275 119.584 119.800 0.099 0.000 2.373 183 Q HA 0.120 4.460 4.340 -0.000 0.000 0.210 183 Q C 0.360 176.315 176.000 -0.075 0.000 0.913 183 Q CA 0.488 56.295 55.803 0.006 0.000 0.911 183 Q CB 0.458 29.180 28.738 -0.027 0.000 1.040 183 Q HN 0.339 nan 8.270 nan 0.000 0.521 184 R N 0.765 121.186 120.500 -0.132 0.000 2.881 184 R HA 0.183 4.523 4.340 -0.000 0.000 0.331 184 R C -2.102 174.142 176.300 -0.092 0.000 1.207 184 R CA -1.167 54.807 56.100 -0.209 0.000 1.265 184 R CB 0.677 30.645 30.300 -0.553 0.000 1.351 184 R HN 0.049 nan 8.270 nan 0.000 0.613 185 P HA -0.221 nan 4.420 nan 0.000 0.216 185 P C 0.842 178.254 177.300 0.186 0.000 1.150 185 P CA 1.370 64.548 63.100 0.131 0.000 0.837 185 P CB 0.420 32.276 31.700 0.260 0.000 0.786 186 Q N -0.185 119.707 119.800 0.155 0.000 2.046 186 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 186 Q C 2.461 178.563 176.000 0.168 0.000 0.975 186 Q CA 1.692 57.610 55.803 0.191 0.000 0.836 186 Q CB -0.692 28.115 28.738 0.114 0.000 0.896 186 Q HN 0.189 nan 8.270 nan 0.000 0.428 187 A N 0.470 123.332 122.820 0.070 0.000 1.969 187 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 187 A C 2.247 179.986 177.584 0.258 0.000 1.169 187 A CA 1.548 53.639 52.037 0.089 0.000 0.635 187 A CB -0.414 18.503 19.000 -0.138 0.000 0.810 187 A HN 0.225 nan 8.150 nan 0.000 0.445 188 S N -0.817 115.027 115.700 0.239 0.000 2.356 188 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 188 S C 1.928 176.640 174.600 0.187 0.000 1.032 188 S CA 1.206 59.554 58.200 0.246 0.000 1.005 188 S CB -0.556 62.637 63.200 -0.011 0.000 0.867 188 S HN 0.708 nan 8.310 nan 0.000 0.449 189 H N 1.240 120.498 119.070 0.314 0.000 2.387 189 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 189 H C 2.365 177.784 175.328 0.153 0.000 1.099 189 H CA 1.466 57.683 56.048 0.281 0.000 1.315 189 H CB -0.437 29.506 29.762 0.303 0.000 1.380 189 H HN 0.490 nan 8.280 nan 0.000 0.513 190 Q N 0.193 120.151 119.800 0.262 0.000 2.050 190 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 190 Q C 2.373 178.440 176.000 0.111 0.000 0.980 190 Q CA 1.241 57.147 55.803 0.171 0.000 0.840 190 Q CB -0.078 28.751 28.738 0.151 0.000 0.898 190 Q HN 0.255 nan 8.270 nan 0.000 0.424 191 L N 0.748 122.041 121.223 0.117 0.000 2.012 191 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 191 L C 2.082 178.918 176.870 -0.056 0.000 1.073 191 L CA 1.698 56.559 54.840 0.035 0.000 0.748 191 L CB -0.629 41.445 42.059 0.026 0.000 0.891 191 L HN 0.311 nan 8.230 nan 0.000 0.431 192 L N -0.893 120.249 121.223 -0.135 0.000 2.131 192 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 192 L C 2.723 179.334 176.870 -0.432 0.000 1.092 192 L CA 1.263 55.853 54.840 -0.416 0.000 0.759 192 L CB -0.519 41.047 42.059 -0.823 0.000 0.903 192 L HN 0.281 nan 8.230 nan 0.000 0.435 193 R N 0.860 121.254 120.500 -0.176 0.000 2.075 193 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 193 R C 2.068 178.404 176.300 0.059 0.000 1.126 193 R CA 1.513 57.656 56.100 0.073 0.000 0.963 193 R CB -0.591 29.820 30.300 0.184 0.000 0.858 193 R HN 0.226 nan 8.270 nan 0.000 0.435 194 I N 0.295 120.885 120.570 0.033 0.000 2.151 194 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 194 I C 2.101 178.232 176.117 0.024 0.000 1.080 194 I CA 1.456 62.775 61.300 0.031 0.000 1.339 194 I CB -0.302 37.709 38.000 0.019 0.000 1.039 194 I HN 0.164 nan 8.210 nan 0.000 0.409 195 L N -0.212 121.009 121.223 -0.003 0.000 2.046 195 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 195 L C 2.636 179.546 176.870 0.067 0.000 1.077 195 L CA 1.644 56.492 54.840 0.013 0.000 0.747 195 L CB -0.881 41.169 42.059 -0.015 0.000 0.896 195 L HN 0.265 nan 8.230 nan 0.000 0.432 196 T N -0.968 113.635 114.554 0.082 0.000 2.684 196 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 196 T C 1.421 176.202 174.700 0.135 0.000 1.036 196 T CA 1.598 63.789 62.100 0.152 0.000 1.148 196 T CB -0.255 68.762 68.868 0.248 0.000 0.863 196 T HN 0.307 nan 8.240 nan 0.000 0.436 197 D N 0.979 121.446 120.400 0.112 0.000 2.264 197 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 197 D C 2.140 178.495 176.300 0.091 0.000 0.966 197 D CA 0.838 54.897 54.000 0.097 0.000 0.864 197 D CB -0.249 40.600 40.800 0.083 0.000 0.933 197 D HN 0.429 nan 8.370 nan 0.000 0.499 198 A N 0.145 123.016 122.820 0.085 0.000 1.935 198 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 198 A C 2.271 179.938 177.584 0.139 0.000 1.178 198 A CA 0.355 52.441 52.037 0.081 0.000 0.640 198 A CB -0.492 18.530 19.000 0.037 0.000 0.825 198 A HN 0.154 nan 8.150 nan 0.000 0.447 199 L N -0.483 120.836 121.223 0.160 0.000 2.056 199 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 199 L C 2.521 179.521 176.870 0.216 0.000 1.078 199 L CA 0.838 55.817 54.840 0.232 0.000 0.749 199 L CB -0.473 41.712 42.059 0.211 0.000 0.901 199 L HN 0.233 nan 8.230 nan 0.000 0.433 200 V N 0.577 120.587 119.914 0.160 0.000 2.233 200 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 200 V C -0.221 175.946 176.094 0.120 0.000 1.050 200 V CA 2.270 64.643 62.300 0.123 0.000 1.010 200 V CB -1.726 30.157 31.823 0.100 0.000 0.637 200 V HN 0.365 nan 8.190 nan 0.000 0.444 201 P HA -0.197 nan 4.420 nan 0.000 0.218 201 P C 1.550 178.988 177.300 0.231 0.000 1.149 201 P CA 1.594 64.777 63.100 0.139 0.000 0.817 201 P CB -0.188 31.590 31.700 0.129 0.000 0.785 202 Y N 1.198 121.582 120.300 0.140 0.000 2.145 202 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 202 Y C 2.299 178.316 175.900 0.194 0.000 1.145 202 Y CA 1.298 59.530 58.100 0.221 0.000 1.148 202 Y CB -1.348 37.177 38.460 0.109 0.000 0.981 202 Y HN -0.236 nan 8.280 nan 0.000 0.507 203 L N -1.251 119.959 121.223 -0.021 0.000 2.046 203 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 203 L C 2.430 179.243 176.870 -0.094 0.000 1.077 203 L CA 1.124 55.881 54.840 -0.139 0.000 0.747 203 L CB -0.772 41.269 42.059 -0.029 0.000 0.896 203 L HN 0.075 nan 8.230 nan 0.000 0.432 204 V N 0.191 120.080 119.914 -0.041 0.000 2.287 204 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 204 V C 2.600 178.593 176.094 -0.170 0.000 1.053 204 V CA 2.090 64.349 62.300 -0.069 0.000 1.027 204 V CB -1.298 30.507 31.823 -0.030 0.000 0.646 204 V HN 0.587 nan 8.190 nan 0.000 0.447 205 G N -1.366 107.281 108.800 -0.254 0.000 2.432 205 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 205 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 205 G C 1.485 175.895 174.900 -0.816 0.000 1.135 205 G CA 0.637 45.279 45.100 -0.764 0.000 0.767 205 G HN 0.554 nan 8.290 nan 0.000 0.550 206 Q N -0.297 119.306 119.800 -0.328 0.000 2.119 206 Q HA -0.040 4.300 4.340 -0.000 0.000 0.201 206 Q C 2.811 178.727 176.000 -0.141 0.000 0.972 206 Q CA 1.159 56.877 55.803 -0.141 0.000 0.847 206 Q CB -0.132 28.510 28.738 -0.160 0.000 0.903 206 Q HN 0.425 nan 8.270 nan 0.000 0.433 207 V N 0.053 119.884 119.914 -0.139 0.000 2.379 207 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 207 V C 2.235 178.284 176.094 -0.074 0.000 1.044 207 V CA 1.197 63.446 62.300 -0.085 0.000 1.036 207 V CB -0.358 31.433 31.823 -0.053 0.000 0.664 207 V HN 0.162 nan 8.190 nan 0.000 0.453 208 V N 0.645 120.485 119.914 -0.124 0.000 2.332 208 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 208 V C 2.635 178.713 176.094 -0.028 0.000 1.055 208 V CA 2.129 64.375 62.300 -0.090 0.000 1.038 208 V CB -1.104 30.620 31.823 -0.165 0.000 0.651 208 V HN 0.572 nan 8.190 nan 0.000 0.450 209 A N -1.095 121.667 122.820 -0.096 0.000 2.168 209 A HA 0.300 4.620 4.320 -0.000 0.000 0.215 209 A C 1.969 179.596 177.584 0.071 0.000 1.152 209 A CA 1.563 53.618 52.037 0.031 0.000 0.716 209 A CB -0.267 18.748 19.000 0.025 0.000 0.794 209 A HN 1.070 nan 8.150 nan 0.000 0.465 210 G N -2.848 105.914 108.800 -0.063 0.000 2.425 210 G HA2 0.261 4.221 3.960 -0.000 0.000 0.177 210 G HA3 0.261 4.221 3.960 -0.000 0.000 0.177 210 G C 0.379 175.111 174.900 -0.280 0.000 0.999 210 G CA -0.017 44.861 45.100 -0.369 0.000 0.723 210 G HN 1.341 nan 8.290 nan 0.000 0.491 211 A N 0.260 122.993 122.820 -0.145 0.000 2.540 211 A HA 0.571 4.891 4.320 -0.000 0.000 0.239 211 A C 1.001 178.541 177.584 -0.073 0.000 1.061 211 A CA 1.214 53.190 52.037 -0.102 0.000 0.758 211 A CB 0.250 19.210 19.000 -0.067 0.000 0.991 211 A HN 0.469 nan 8.150 nan 0.000 0.502 212 Q N 0.225 119.993 119.800 -0.054 0.000 2.247 212 Q HA 0.464 4.804 4.340 -0.000 0.000 0.211 212 Q C 0.117 176.141 176.000 0.040 0.000 0.861 212 Q CA 0.656 56.459 55.803 0.000 0.000 0.949 212 Q CB 0.691 29.431 28.738 0.004 0.000 1.115 212 Q HN 0.933 nan 8.270 nan 0.000 0.507 213 A N 0.453 123.285 122.820 0.020 0.000 2.601 213 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 213 A C -1.969 175.628 177.584 0.022 0.000 1.075 213 A CA -0.641 51.414 52.037 0.030 0.000 0.671 213 A CB 1.119 20.203 19.000 0.140 0.000 1.277 213 A HN 0.133 nan 8.150 nan 0.000 0.417 214 L N 0.659 121.904 121.223 0.036 0.000 2.431 214 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 214 L C -0.441 176.507 176.870 0.130 0.000 0.978 214 L CA -0.402 54.485 54.840 0.078 0.000 0.822 214 L CB 2.310 44.405 42.059 0.059 0.000 1.310 214 L HN 0.894 nan 8.230 nan 0.000 0.409 215 Q N 2.593 122.506 119.800 0.189 0.000 2.340 215 Q HA 0.577 4.917 4.340 -0.000 0.000 0.268 215 Q C -1.755 174.370 176.000 0.209 0.000 1.031 215 Q CA -0.766 55.119 55.803 0.136 0.000 0.804 215 Q CB 2.437 31.189 28.738 0.024 0.000 1.286 215 Q HN 0.522 nan 8.270 nan 0.000 0.448 216 L N 4.512 125.824 121.223 0.148 0.000 2.287 216 L HA 0.486 4.826 4.340 -0.000 0.000 0.287 216 L C -1.590 175.367 176.870 0.145 0.000 1.022 216 L CA -0.017 54.963 54.840 0.234 0.000 0.814 216 L CB 0.722 42.922 42.059 0.236 0.000 1.217 216 L HN 0.634 nan 8.230 nan 0.000 0.420 217 F N 3.394 123.516 119.950 0.287 0.000 2.368 217 F HA 0.276 4.802 4.527 -0.000 0.000 0.362 217 F C 0.692 176.588 175.800 0.161 0.000 1.137 217 F CA -0.390 57.774 58.000 0.273 0.000 1.161 217 F CB 0.798 39.985 39.000 0.312 0.000 1.265 217 F HN 0.478 nan 8.300 nan 0.000 0.530 218 E N 1.552 121.863 120.200 0.185 0.000 2.201 218 E HA 0.166 4.516 4.350 -0.000 0.000 0.272 218 E C 0.672 177.264 176.600 -0.014 0.000 1.228 218 E CA 0.007 56.490 56.400 0.138 0.000 1.305 218 E CB 0.001 29.792 29.700 0.152 0.000 1.381 218 E HN 0.483 nan 8.360 nan 0.000 0.475 219 S N 0.917 116.607 115.700 -0.016 0.000 2.447 219 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 219 S C 0.554 174.912 174.600 -0.404 0.000 1.006 219 S CA 0.903 58.958 58.200 -0.242 0.000 0.957 219 S CB -0.261 62.825 63.200 -0.189 0.000 0.773 219 S HN 0.622 nan 8.310 nan 0.000 0.507 220 H N -0.035 119.057 119.070 0.036 0.000 2.488 220 H HA 0.504 5.060 4.556 -0.000 0.000 0.294 220 H C 1.660 177.121 175.328 0.222 0.000 1.088 220 H CA 0.104 56.155 56.048 0.004 0.000 1.086 220 H CB 0.131 29.888 29.762 -0.008 0.000 1.569 220 H HN 0.343 nan 8.280 nan 0.000 0.548 221 A N 0.556 123.521 122.820 0.243 0.000 1.940 221 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 221 A C 2.565 180.292 177.584 0.237 0.000 1.176 221 A CA 1.702 53.932 52.037 0.323 0.000 0.631 221 A CB -0.959 18.087 19.000 0.077 0.000 0.814 221 A HN 0.565 nan 8.150 nan 0.000 0.446 222 G N -1.660 107.129 108.800 -0.018 0.000 2.509 222 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 222 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 222 G C 1.165 176.115 174.900 0.084 0.000 1.124 222 G CA 0.996 46.097 45.100 0.002 0.000 0.776 222 G HN 0.833 nan 8.290 nan 0.000 0.547 223 H N -0.624 118.588 119.070 0.237 0.000 2.547 223 H HA 0.228 4.784 4.556 -0.000 0.000 0.272 223 H C 2.300 177.690 175.328 0.103 0.000 0.989 223 H CA -0.059 56.099 56.048 0.183 0.000 1.214 223 H CB 0.255 30.167 29.762 0.250 0.000 1.389 223 H HN 0.264 nan 8.280 nan 0.000 0.577 224 L N -0.370 120.952 121.223 0.164 0.000 2.102 224 L HA 0.147 4.487 4.340 -0.000 0.000 0.202 224 L C 1.093 177.858 176.870 -0.175 0.000 1.076 224 L CA 0.455 55.275 54.840 -0.033 0.000 0.761 224 L CB -0.287 41.748 42.059 -0.041 0.000 0.921 224 L HN 0.450 nan 8.230 nan 0.000 0.444 225 G N -0.308 108.182 108.800 -0.516 0.000 2.819 225 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.682 225 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.682 225 G C -2.178 172.284 174.900 -0.730 0.000 1.481 225 G CA -0.361 44.160 45.100 -0.964 0.000 0.904 225 G HN 0.054 nan 8.290 nan 0.000 0.563 226 P HA -0.125 nan 4.420 nan 0.000 0.215 226 P C 1.791 179.102 177.300 0.019 0.000 1.153 226 P CA 1.905 64.911 63.100 -0.157 0.000 0.853 226 P CB 0.014 31.686 31.700 -0.046 0.000 0.788 227 Q N -0.811 118.976 119.800 -0.021 0.000 2.046 227 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 227 Q C 2.354 178.371 176.000 0.028 0.000 0.975 227 Q CA 1.154 56.969 55.803 0.019 0.000 0.836 227 Q CB -0.608 28.145 28.738 0.025 0.000 0.896 227 Q HN 0.240 nan 8.270 nan 0.000 0.428 228 L N -0.657 120.570 121.223 0.007 0.000 2.109 228 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 228 L C 2.218 179.112 176.870 0.040 0.000 1.086 228 L CA 0.686 55.534 54.840 0.013 0.000 0.760 228 L CB -0.298 41.677 42.059 -0.140 0.000 0.910 228 L HN 0.234 nan 8.230 nan 0.000 0.437 229 F N 1.403 121.306 119.950 -0.078 0.000 2.095 229 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 229 F C 2.343 178.164 175.800 0.034 0.000 1.104 229 F CA 1.723 59.724 58.000 0.002 0.000 1.232 229 F CB -0.140 38.991 39.000 0.219 0.000 0.987 229 F HN 0.140 nan 8.300 nan 0.000 0.475 230 N N 0.471 119.308 118.700 0.228 0.000 2.244 230 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 230 N C 1.656 177.130 175.510 -0.059 0.000 1.016 230 N CA 1.195 54.308 53.050 0.106 0.000 0.866 230 N CB -0.285 38.274 38.487 0.120 0.000 0.980 230 N HN 0.391 nan 8.380 nan 0.000 0.430 231 K N -0.912 119.417 120.400 -0.118 0.000 2.076 231 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 231 K C 1.031 177.390 176.600 -0.401 0.000 1.051 231 K CA 0.939 57.029 56.287 -0.328 0.000 0.949 231 K CB 0.049 32.232 32.500 -0.527 0.000 0.726 231 K HN 0.140 nan 8.250 nan 0.000 0.443 232 F N -1.302 118.627 119.950 -0.034 0.000 2.711 232 F HA 0.242 4.769 4.527 -0.000 0.000 0.296 232 F C 1.855 177.693 175.800 0.064 0.000 1.096 232 F CA -0.052 57.974 58.000 0.044 0.000 1.280 232 F CB 0.510 39.396 39.000 -0.190 0.000 1.060 232 F HN -0.063 nan 8.300 nan 0.000 0.608 233 A N -0.245 122.508 122.820 -0.112 0.000 1.938 233 A HA 0.099 4.419 4.320 -0.000 0.000 0.207 233 A C 1.774 179.181 177.584 -0.294 0.000 1.292 233 A CA 0.418 52.283 52.037 -0.288 0.000 0.700 233 A CB -0.885 17.555 19.000 -0.935 0.000 0.947 233 A HN 0.195 nan 8.150 nan 0.000 0.476 234 L N 0.855 121.773 121.223 -0.508 0.000 2.012 234 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 234 L C -0.932 175.881 176.870 -0.095 0.000 1.073 234 L CA 2.435 57.149 54.840 -0.210 0.000 0.748 234 L CB -1.098 40.938 42.059 -0.039 0.000 0.891 234 L HN 0.164 nan 8.230 nan 0.000 0.431 235 P HA -0.183 nan 4.420 nan 0.000 0.216 235 P C 1.029 178.131 177.300 -0.330 0.000 1.150 235 P CA 1.757 64.660 63.100 -0.328 0.000 0.837 235 P CB -0.153 31.189 31.700 -0.596 0.000 0.786 236 Y N -1.445 118.881 120.300 0.043 0.000 2.337 236 Y HA -0.011 4.539 4.550 -0.000 0.000 0.293 236 Y C 2.334 178.302 175.900 0.114 0.000 1.123 236 Y CA 0.436 58.587 58.100 0.086 0.000 1.201 236 Y CB -1.004 37.524 38.460 0.112 0.000 1.011 236 Y HN -0.147 nan 8.280 nan 0.000 0.545 237 I N 0.131 120.831 120.570 0.217 0.000 2.163 237 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 237 I C 2.343 178.648 176.117 0.313 0.000 1.085 237 I CA 1.560 63.004 61.300 0.240 0.000 1.347 237 I CB -0.355 37.728 38.000 0.138 0.000 1.044 237 I HN 0.175 nan 8.210 nan 0.000 0.408 238 R N 0.492 121.109 120.500 0.194 0.000 2.081 238 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 238 R C 1.948 178.304 176.300 0.094 0.000 1.131 238 R CA 1.622 57.814 56.100 0.154 0.000 0.960 238 R CB -0.346 29.994 30.300 0.066 0.000 0.856 238 R HN 0.359 nan 8.270 nan 0.000 0.436 239 D N 0.072 120.516 120.400 0.074 0.000 2.117 239 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 239 D C 1.979 178.335 176.300 0.093 0.000 0.987 239 D CA 0.939 54.977 54.000 0.064 0.000 0.829 239 D CB -0.217 40.627 40.800 0.073 0.000 0.961 239 D HN -0.011 nan 8.370 nan 0.000 0.460 240 V N 1.544 121.548 119.914 0.150 0.000 2.255 240 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 240 V C 2.552 178.680 176.094 0.056 0.000 1.051 240 V CA 2.010 64.398 62.300 0.146 0.000 1.018 240 V CB -0.844 31.117 31.823 0.231 0.000 0.641 240 V HN 0.199 nan 8.190 nan 0.000 0.445 241 A N -0.415 122.391 122.820 -0.023 0.000 1.877 241 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 241 A C 2.359 179.868 177.584 -0.125 0.000 1.186 241 A CA 2.238 54.124 52.037 -0.251 0.000 0.620 241 A CB -0.529 18.070 19.000 -0.669 0.000 0.822 241 A HN 0.532 nan 8.150 nan 0.000 0.443 242 K N -0.533 119.831 120.400 -0.059 0.000 2.026 242 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 242 K C 2.239 178.832 176.600 -0.013 0.000 1.048 242 K CA 1.826 58.094 56.287 -0.031 0.000 0.929 242 K CB -0.223 32.272 32.500 -0.009 0.000 0.713 242 K HN 0.644 nan 8.250 nan 0.000 0.439 243 Q N -0.033 119.771 119.800 0.007 0.000 2.123 243 Q HA -0.083 4.257 4.340 -0.000 0.000 0.199 243 Q C 2.163 178.172 176.000 0.015 0.000 0.966 243 Q CA 1.139 56.954 55.803 0.020 0.000 0.845 243 Q CB 0.148 28.911 28.738 0.041 0.000 0.907 243 Q HN 0.135 nan 8.270 nan 0.000 0.439 244 V N 1.603 121.522 119.914 0.009 0.000 2.295 244 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 244 V C 2.042 178.133 176.094 -0.006 0.000 1.049 244 V CA 1.911 64.213 62.300 0.003 0.000 1.024 244 V CB -0.414 31.407 31.823 -0.003 0.000 0.648 244 V HN 0.308 nan 8.190 nan 0.000 0.447 245 K N 0.140 120.530 120.400 -0.017 0.000 2.057 245 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 245 K C 2.293 178.895 176.600 0.002 0.000 1.049 245 K CA 1.486 57.770 56.287 -0.005 0.000 0.931 245 K CB -0.437 32.057 32.500 -0.011 0.000 0.714 245 K HN 0.488 nan 8.250 nan 0.000 0.440 246 A N 1.756 124.576 122.820 0.001 0.000 1.877 246 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 246 A C 2.075 179.662 177.584 0.005 0.000 1.186 246 A CA 1.321 53.360 52.037 0.004 0.000 0.620 246 A CB -0.397 18.606 19.000 0.005 0.000 0.822 246 A HN 0.193 nan 8.150 nan 0.000 0.443 247 R N -0.610 119.894 120.500 0.007 0.000 2.081 247 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 247 R C 2.094 178.394 176.300 0.001 0.000 1.131 247 R CA 1.394 57.498 56.100 0.006 0.000 0.960 247 R CB -0.565 29.741 30.300 0.009 0.000 0.856 247 R HN 0.509 nan 8.270 nan 0.000 0.436 248 L N 0.128 121.352 121.223 0.001 0.000 2.017 248 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 248 L C 2.662 179.535 176.870 0.004 0.000 1.073 248 L CA 1.393 56.233 54.840 0.001 0.000 0.745 248 L CB -0.372 41.691 42.059 0.007 0.000 0.894 248 L HN 0.143 nan 8.230 nan 0.000 0.432 249 R N 0.120 120.623 120.500 0.005 0.000 2.083 249 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 249 R C 2.165 178.465 176.300 -0.000 0.000 1.137 249 R CA 1.751 57.853 56.100 0.002 0.000 0.951 249 R CB -0.266 30.035 30.300 0.002 0.000 0.851 249 R HN 0.425 nan 8.270 nan 0.000 0.434 250 E N -0.167 120.034 120.200 0.001 0.000 2.204 250 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 250 E C 1.443 178.043 176.600 -0.001 0.000 0.989 250 E CA 0.952 57.353 56.400 0.000 0.000 0.824 250 E CB 0.077 29.778 29.700 0.002 0.000 0.756 250 E HN 0.349 nan 8.360 nan 0.000 0.477 251 A N 0.155 122.973 122.820 -0.002 0.000 2.251 251 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 251 A C 1.616 179.198 177.584 -0.004 0.000 1.187 251 A CA 0.638 52.672 52.037 -0.004 0.000 0.823 251 A CB -0.299 18.696 19.000 -0.009 0.000 0.846 251 A HN 0.296 nan 8.150 nan 0.000 0.486 252 G N -1.200 107.599 108.800 -0.002 0.000 2.143 252 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 252 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 252 G C 0.038 174.939 174.900 0.001 0.000 0.991 252 G CA 0.509 45.608 45.100 -0.002 0.000 0.689 252 G HN 0.455 nan 8.290 nan 0.000 0.522 253 L N -0.129 121.096 121.223 0.004 0.000 2.358 253 L HA 0.829 5.169 4.340 -0.000 0.000 0.268 253 L C 0.997 177.876 176.870 0.015 0.000 1.032 253 L CA -0.729 54.118 54.840 0.011 0.000 0.805 253 L CB 1.565 43.632 42.059 0.012 0.000 1.253 253 L HN 0.251 nan 8.230 nan 0.000 0.452 254 A N 1.634 124.468 122.820 0.024 0.000 2.322 254 A HA 0.639 4.959 4.320 -0.000 0.000 0.269 254 A C -2.302 175.319 177.584 0.062 0.000 1.094 254 A CA -1.187 50.868 52.037 0.031 0.000 0.807 254 A CB -0.265 18.754 19.000 0.032 0.000 1.047 254 A HN 0.473 nan 8.150 nan 0.000 0.487 255 P HA 0.387 nan 4.420 nan 0.000 0.274 255 P C -0.454 176.992 177.300 0.243 0.000 1.231 255 P CA -0.085 63.106 63.100 0.152 0.000 0.790 255 P CB 0.962 32.779 31.700 0.195 0.000 0.951 256 V N -1.978 118.046 119.914 0.183 0.000 2.919 256 V HA 0.645 4.765 4.120 -0.000 0.000 0.316 256 V C -2.677 173.404 176.094 -0.021 0.000 1.077 256 V CA -3.184 59.214 62.300 0.164 0.000 0.977 256 V CB 1.209 33.067 31.823 0.059 0.000 1.039 256 V HN 0.337 nan 8.190 nan 0.000 0.441 257 P HA 0.351 nan 4.420 nan 0.000 0.271 257 P C -0.799 176.321 177.300 -0.300 0.000 1.216 257 P CA 0.131 62.798 63.100 -0.721 0.000 0.771 257 P CB 0.431 31.512 31.700 -1.032 0.000 0.864 258 M N 3.042 122.509 119.600 -0.222 0.000 2.383 258 M HA 0.475 4.955 4.480 -0.000 0.000 0.325 258 M C -0.234 176.158 176.300 0.154 0.000 1.092 258 M CA -0.643 54.651 55.300 -0.009 0.000 0.961 258 M CB 1.786 34.335 32.600 -0.085 0.000 1.672 258 M HN 0.147 nan 8.290 nan 0.000 0.438 259 I N 3.113 123.818 120.570 0.224 0.000 2.406 259 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 259 I C -0.927 175.242 176.117 0.086 0.000 0.999 259 I CA -0.730 60.660 61.300 0.151 0.000 1.124 259 I CB 1.959 40.017 38.000 0.096 0.000 1.289 259 I HN 0.515 nan 8.210 nan 0.000 0.441 260 I N 7.145 127.638 120.570 -0.129 0.000 2.339 260 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 260 I C -1.435 174.629 176.117 -0.089 0.000 0.994 260 I CA -0.366 60.718 61.300 -0.360 0.000 1.191 260 I CB 0.926 38.388 38.000 -0.895 0.000 1.343 260 I HN 0.386 nan 8.210 nan 0.000 0.458 261 F N 8.634 128.448 119.950 -0.227 0.000 2.430 261 F HA 0.760 5.287 4.527 -0.000 0.000 0.362 261 F C -0.499 175.234 175.800 -0.112 0.000 1.103 261 F CA -1.163 56.728 58.000 -0.182 0.000 1.045 261 F CB 0.972 39.814 39.000 -0.263 0.000 1.276 261 F HN 0.547 nan 8.300 nan 0.000 0.444 262 A N 7.051 129.606 122.820 -0.441 0.000 2.444 262 A HA 0.337 4.657 4.320 -0.000 0.000 0.332 262 A C -0.038 177.098 177.584 -0.746 0.000 1.430 262 A CA -0.763 50.983 52.037 -0.485 0.000 0.975 262 A CB -0.005 18.805 19.000 -0.316 0.000 1.147 262 A HN 0.741 nan 8.150 nan 0.000 0.524 263 K N 2.400 122.211 120.400 -0.981 0.000 2.401 263 K HA 0.105 4.425 4.320 -0.000 0.000 0.278 263 K C -0.543 175.742 176.600 -0.525 0.000 1.018 263 K CA 0.093 55.862 56.287 -0.862 0.000 0.981 263 K CB 0.194 32.200 32.500 -0.824 0.000 0.933 263 K HN 0.718 nan 8.250 nan 0.000 0.477 264 D N 2.208 122.329 120.400 -0.465 0.000 3.012 264 D HA -0.151 4.489 4.640 -0.000 0.000 0.222 264 D C 0.283 176.262 176.300 -0.536 0.000 1.167 264 D CA 1.301 55.063 54.000 -0.397 0.000 0.854 264 D CB -1.143 39.491 40.800 -0.276 0.000 1.107 264 D HN 0.853 nan 8.370 nan 0.000 0.421 265 G N -0.155 108.235 108.800 -0.684 0.000 3.591 265 G HA2 0.154 4.114 3.960 -0.000 0.000 0.282 265 G HA3 0.154 4.114 3.960 -0.000 0.000 0.282 265 G C 1.140 175.389 174.900 -1.086 0.000 1.238 265 G CA 0.256 44.672 45.100 -1.141 0.000 0.993 265 G HN 0.511 nan 8.290 nan 0.000 0.542 266 H N 0.310 119.058 119.070 -0.537 0.000 2.357 266 H HA -0.264 4.292 4.556 -0.000 0.000 0.296 266 H C 1.814 176.957 175.328 -0.308 0.000 1.108 266 H CA 1.663 57.522 56.048 -0.314 0.000 1.273 266 H CB -1.050 28.626 29.762 -0.144 0.000 1.367 266 H HN 0.524 nan 8.280 nan 0.000 0.498 267 F N -0.398 119.549 119.950 -0.005 0.000 2.604 267 F HA 0.444 4.971 4.527 -0.000 0.000 0.298 267 F C 2.084 177.803 175.800 -0.135 0.000 1.131 267 F CA 0.358 58.406 58.000 0.081 0.000 1.457 267 F CB -0.341 38.652 39.000 -0.012 0.000 1.095 267 F HN 0.368 nan 8.300 nan 0.000 0.574 268 A N 0.293 122.708 122.820 -0.675 0.000 2.470 268 A HA 0.405 4.725 4.320 -0.000 0.000 0.251 268 A C 1.771 179.180 177.584 -0.291 0.000 1.245 268 A CA -0.239 51.490 52.037 -0.512 0.000 0.932 268 A CB -0.740 17.550 19.000 -1.183 0.000 1.037 268 A HN 0.447 nan 8.150 nan 0.000 0.522 269 L N -0.560 120.525 121.223 -0.229 0.000 2.046 269 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 269 L C 2.481 179.320 176.870 -0.051 0.000 1.077 269 L CA 1.889 56.651 54.840 -0.131 0.000 0.747 269 L CB -0.316 41.689 42.059 -0.089 0.000 0.896 269 L HN 0.603 nan 8.230 nan 0.000 0.432 270 E N 0.071 120.256 120.200 -0.025 0.000 2.051 270 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 270 E C 2.088 178.703 176.600 0.024 0.000 0.991 270 E CA 1.151 57.555 56.400 0.007 0.000 0.799 270 E CB 0.185 29.895 29.700 0.017 0.000 0.748 270 E HN 0.386 nan 8.360 nan 0.000 0.449 271 E N 0.532 120.751 120.200 0.031 0.000 2.051 271 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 271 E C 2.356 179.002 176.600 0.076 0.000 0.991 271 E CA 0.759 57.201 56.400 0.069 0.000 0.799 271 E CB -0.270 29.500 29.700 0.118 0.000 0.748 271 E HN 0.393 nan 8.360 nan 0.000 0.449 272 L N 0.580 121.830 121.223 0.045 0.000 2.127 272 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 272 L C 2.427 179.335 176.870 0.064 0.000 1.089 272 L CA 1.005 55.870 54.840 0.042 0.000 0.757 272 L CB -0.494 41.541 42.059 -0.040 0.000 0.899 272 L HN 0.052 nan 8.230 nan 0.000 0.434 273 A N -0.767 122.083 122.820 0.050 0.000 2.121 273 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 273 A C 2.043 179.675 177.584 0.080 0.000 1.154 273 A CA 1.058 53.134 52.037 0.064 0.000 0.679 273 A CB -0.208 18.819 19.000 0.045 0.000 0.795 273 A HN 0.536 nan 8.150 nan 0.000 0.458 274 Q N -1.337 118.513 119.800 0.084 0.000 2.282 274 Q HA 0.311 4.650 4.340 -0.000 0.000 0.206 274 Q C 1.549 177.612 176.000 0.104 0.000 0.878 274 Q CA 0.422 56.273 55.803 0.080 0.000 0.944 274 Q CB 0.262 29.037 28.738 0.063 0.000 1.100 274 Q HN 0.581 nan 8.270 nan 0.000 0.509 275 A N 0.464 123.381 122.820 0.161 0.000 2.251 275 A HA 0.365 4.685 4.320 -0.000 0.000 0.209 275 A C 1.362 179.093 177.584 0.245 0.000 1.187 275 A CA 0.736 52.906 52.037 0.223 0.000 0.823 275 A CB -0.176 18.991 19.000 0.279 0.000 0.846 275 A HN 0.395 nan 8.150 nan 0.000 0.486 276 G N -2.219 106.672 108.800 0.153 0.000 2.131 276 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.223 276 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.223 276 G C -0.293 174.495 174.900 -0.186 0.000 0.990 276 G CA 0.070 45.161 45.100 -0.015 0.000 0.671 276 G HN 0.382 nan 8.290 nan 0.000 0.521 277 Y N 0.071 120.383 120.300 0.020 0.000 2.360 277 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 277 Y C 1.368 177.249 175.900 -0.033 0.000 1.039 277 Y CA -0.805 57.290 58.100 -0.008 0.000 1.109 277 Y CB 1.487 39.950 38.460 0.006 0.000 1.201 277 Y HN 0.062 nan 8.280 nan 0.000 0.458 278 E N 1.171 121.372 120.200 0.002 0.000 2.150 278 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 278 E C -0.438 176.139 176.600 -0.040 0.000 0.985 278 E CA 0.855 57.208 56.400 -0.078 0.000 0.814 278 E CB 0.119 29.613 29.700 -0.343 0.000 0.752 278 E HN 0.282 nan 8.360 nan 0.000 0.466 279 V N 0.532 120.448 119.914 0.003 0.000 2.638 279 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 279 V C -0.675 175.450 176.094 0.051 0.000 1.052 279 V CA -0.966 61.335 62.300 0.001 0.000 0.885 279 V CB 2.294 34.089 31.823 -0.047 0.000 0.999 279 V HN -0.264 nan 8.190 nan 0.000 0.424 280 V N 3.589 123.533 119.914 0.049 0.000 2.347 280 V HA 0.683 4.803 4.120 -0.000 0.000 0.280 280 V C 0.802 176.939 176.094 0.072 0.000 1.021 280 V CA -0.222 62.103 62.300 0.042 0.000 0.847 280 V CB 1.604 33.450 31.823 0.037 0.000 0.990 280 V HN 0.985 nan 8.190 nan 0.000 0.444 281 G N 4.976 113.839 108.800 0.104 0.000 2.400 281 G HA2 0.674 4.634 3.960 -0.000 0.000 0.301 281 G HA3 0.674 4.634 3.960 -0.000 0.000 0.301 281 G C -0.917 174.161 174.900 0.296 0.000 1.154 281 G CA -0.477 44.718 45.100 0.158 0.000 0.852 281 G HN 0.582 nan 8.290 nan 0.000 0.511 282 L N 1.213 122.588 121.223 0.254 0.000 2.362 282 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 282 L C -0.252 176.810 176.870 0.320 0.000 1.002 282 L CA -1.173 53.813 54.840 0.244 0.000 0.818 282 L CB 2.306 44.501 42.059 0.226 0.000 1.298 282 L HN 0.759 nan 8.230 nan 0.000 0.420 283 D N -0.532 119.995 120.400 0.212 0.000 2.398 283 D HA 0.022 4.662 4.640 -0.000 0.000 0.247 283 D C 0.678 177.032 176.300 0.091 0.000 1.227 283 D CA -0.500 53.580 54.000 0.133 0.000 0.980 283 D CB 0.557 41.228 40.800 -0.216 0.000 1.106 283 D HN 0.593 nan 8.370 nan 0.000 0.493 284 W N -0.986 120.363 121.300 0.080 0.000 3.047 284 W HA 0.081 4.741 4.660 -0.000 0.000 0.250 284 W C 1.420 177.964 176.519 0.041 0.000 1.314 284 W CA 0.510 57.888 57.345 0.055 0.000 1.540 284 W CB -0.915 28.560 29.460 0.025 0.000 1.127 284 W HN 0.409 nan 8.180 nan 0.000 0.679 285 T N -1.666 112.617 114.554 -0.451 0.000 3.088 285 T HA 0.105 4.455 4.350 -0.000 0.000 0.259 285 T C 0.471 175.100 174.700 -0.117 0.000 1.122 285 T CA 0.166 62.088 62.100 -0.297 0.000 1.095 285 T CB -0.567 68.070 68.868 -0.385 0.000 0.930 285 T HN -0.079 nan 8.240 nan 0.000 0.508 286 V N 2.489 122.354 119.914 -0.082 0.000 2.383 286 V HA 0.682 4.802 4.120 -0.000 0.000 0.275 286 V C 0.742 176.803 176.094 -0.055 0.000 1.036 286 V CA -1.379 60.889 62.300 -0.052 0.000 0.889 286 V CB 0.498 32.300 31.823 -0.034 0.000 0.985 286 V HN 0.619 nan 8.190 nan 0.000 0.459 287 A N 7.196 129.967 122.820 -0.080 0.000 2.492 287 A HA 0.403 4.723 4.320 -0.000 0.000 0.254 287 A C -1.188 176.267 177.584 -0.215 0.000 1.091 287 A CA -0.866 51.096 52.037 -0.126 0.000 0.768 287 A CB 0.043 18.978 19.000 -0.108 0.000 1.028 287 A HN 0.718 nan 8.150 nan 0.000 0.498 288 P HA -0.205 nan 4.420 nan 0.000 0.216 288 P C 1.194 178.232 177.300 -0.436 0.000 1.154 288 P CA 1.662 64.312 63.100 -0.750 0.000 0.865 288 P CB 0.126 30.894 31.700 -1.553 0.000 0.789 289 K N -0.218 119.994 120.400 -0.313 0.000 2.097 289 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 289 K C 1.992 178.521 176.600 -0.118 0.000 1.049 289 K CA 1.318 57.496 56.287 -0.181 0.000 0.933 289 K CB -0.235 32.181 32.500 -0.140 0.000 0.717 289 K HN 0.202 nan 8.250 nan 0.000 0.442 290 K N 0.470 120.802 120.400 -0.114 0.000 2.097 290 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 290 K C 2.238 178.803 176.600 -0.058 0.000 1.050 290 K CA 1.059 57.300 56.287 -0.076 0.000 0.938 290 K CB -0.097 32.359 32.500 -0.073 0.000 0.718 290 K HN 0.093 nan 8.250 nan 0.000 0.442 291 A N 1.736 124.517 122.820 -0.065 0.000 1.902 291 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 291 A C 2.143 179.730 177.584 0.004 0.000 1.181 291 A CA 1.602 53.628 52.037 -0.019 0.000 0.623 291 A CB -0.412 18.598 19.000 0.017 0.000 0.818 291 A HN 0.121 nan 8.150 nan 0.000 0.443 292 R N 0.369 120.864 120.500 -0.008 0.000 2.091 292 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 292 R C 1.945 178.250 176.300 0.008 0.000 1.136 292 R CA 2.108 58.219 56.100 0.019 0.000 0.959 292 R CB -0.509 29.795 30.300 0.007 0.000 0.856 292 R HN 0.727 nan 8.270 nan 0.000 0.437 293 E N -0.941 119.252 120.200 -0.012 0.000 2.077 293 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 293 E C 2.185 178.784 176.600 -0.002 0.000 0.989 293 E CA 1.470 57.865 56.400 -0.009 0.000 0.800 293 E CB -0.234 29.453 29.700 -0.020 0.000 0.746 293 E HN 0.370 nan 8.360 nan 0.000 0.452 294 C N 0.414 119.712 119.300 -0.004 0.000 2.429 294 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 294 C C 2.857 177.853 174.990 0.009 0.000 1.262 294 C CA 0.959 59.977 59.018 -0.001 0.000 1.733 294 C CB -0.767 26.968 27.740 -0.009 0.000 2.010 294 C HN 0.443 nan 8.230 nan 0.000 0.483 295 V N -0.750 119.175 119.914 0.018 0.000 3.235 295 V HA 0.486 4.606 4.120 -0.000 0.000 0.259 295 V C 1.138 177.252 176.094 0.033 0.000 1.133 295 V CA 0.890 63.207 62.300 0.029 0.000 1.128 295 V CB -1.423 30.426 31.823 0.043 0.000 0.757 295 V HN 0.834 nan 8.190 nan 0.000 0.469 296 G N 0.717 109.534 108.800 0.029 0.000 2.632 296 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.224 296 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.224 296 G C 0.220 175.142 174.900 0.036 0.000 1.341 296 G CA 0.328 45.444 45.100 0.028 0.000 0.880 296 G HN 0.388 nan 8.290 nan 0.000 0.566 297 K N -0.315 120.103 120.400 0.030 0.000 2.358 297 K HA 0.198 4.518 4.320 -0.000 0.000 0.197 297 K C 2.493 179.113 176.600 0.034 0.000 1.025 297 K CA 1.050 57.355 56.287 0.029 0.000 1.104 297 K CB 0.129 32.636 32.500 0.012 0.000 0.855 297 K HN 0.641 nan 8.250 nan 0.000 0.531 298 T N -1.172 113.406 114.554 0.040 0.000 2.925 298 T HA -0.000 4.349 4.350 -0.000 0.000 0.245 298 T C 1.023 175.758 174.700 0.058 0.000 1.025 298 T CA 0.389 62.517 62.100 0.047 0.000 1.149 298 T CB -0.337 68.561 68.868 0.050 0.000 0.866 298 T HN -0.052 nan 8.240 nan 0.000 0.437 299 V N 1.758 121.708 119.914 0.059 0.000 2.963 299 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 299 V C 0.223 176.354 176.094 0.063 0.000 1.077 299 V CA -0.635 61.701 62.300 0.059 0.000 1.124 299 V CB 0.299 32.160 31.823 0.064 0.000 0.987 299 V HN 0.378 nan 8.190 nan 0.000 0.487 300 T N 5.454 120.033 114.554 0.042 0.000 2.856 300 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 300 T C -0.078 174.658 174.700 0.061 0.000 0.980 300 T CA -0.209 61.916 62.100 0.042 0.000 1.091 300 T CB 0.656 69.507 68.868 -0.029 0.000 0.936 300 T HN 0.603 nan 8.240 nan 0.000 0.503 301 L N 3.092 124.384 121.223 0.114 0.000 2.343 301 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 301 L C 0.250 177.156 176.870 0.061 0.000 1.056 301 L CA -0.617 54.307 54.840 0.141 0.000 0.804 301 L CB 1.393 43.625 42.059 0.287 0.000 1.203 301 L HN 0.550 nan 8.230 nan 0.000 0.440 302 Q N 1.522 121.338 119.800 0.027 0.000 2.356 302 Q HA 0.673 5.013 4.340 -0.000 0.000 0.270 302 Q C -0.537 175.431 176.000 -0.054 0.000 1.058 302 Q CA -0.111 55.647 55.803 -0.074 0.000 0.802 302 Q CB 2.422 31.138 28.738 -0.035 0.000 1.303 302 Q HN 0.824 nan 8.270 nan 0.000 0.444 303 G N 2.437 111.166 108.800 -0.119 0.000 2.278 303 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.265 303 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.265 303 G C -1.251 173.738 174.900 0.148 0.000 1.329 303 G CA -0.045 45.056 45.100 0.002 0.000 1.017 303 G HN 0.831 nan 8.290 nan 0.000 0.472 304 N N -0.588 118.319 118.700 0.345 0.000 2.471 304 N HA 0.283 5.023 4.740 -0.000 0.000 0.270 304 N C -0.201 175.456 175.510 0.246 0.000 1.490 304 N CA -0.258 52.966 53.050 0.289 0.000 0.850 304 N CB 0.359 39.085 38.487 0.397 0.000 1.411 304 N HN 0.775 nan 8.380 nan 0.000 0.488 305 L N 1.947 123.250 121.223 0.133 0.000 2.499 305 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 305 L C 0.326 177.123 176.870 -0.122 0.000 1.195 305 L CA 0.190 55.040 54.840 0.017 0.000 0.882 305 L CB 0.154 42.149 42.059 -0.106 0.000 1.133 305 L HN 0.181 nan 8.230 nan 0.000 0.483 306 D N 7.580 127.895 120.400 -0.142 0.000 2.662 306 D HA -0.059 4.581 4.640 -0.000 0.000 0.237 306 D C -1.584 174.310 176.300 -0.675 0.000 1.154 306 D CA -1.057 52.580 54.000 -0.605 0.000 0.861 306 D CB 0.994 41.433 40.800 -0.602 0.000 1.146 306 D HN 0.399 nan 8.370 nan 0.000 0.518 307 P HA -0.142 nan 4.420 nan 0.000 0.218 307 P C 1.300 178.039 177.300 -0.935 0.000 1.148 307 P CA 0.706 63.276 63.100 -0.884 0.000 0.822 307 P CB 0.006 31.086 31.700 -1.034 0.000 0.784 308 C N -0.400 118.384 119.300 -0.860 0.000 2.437 308 C HA 0.136 4.596 4.460 -0.000 0.000 0.283 308 C C 2.956 177.679 174.990 -0.445 0.000 1.424 308 C CA 0.653 59.272 59.018 -0.664 0.000 1.782 308 C CB -1.914 25.683 27.740 -0.239 0.000 1.833 308 C HN 0.251 nan 8.230 nan 0.000 0.532 309 A N 0.687 123.265 122.820 -0.403 0.000 2.076 309 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 309 A C 1.949 179.399 177.584 -0.223 0.000 1.160 309 A CA 1.296 53.188 52.037 -0.242 0.000 0.653 309 A CB -0.530 18.341 19.000 -0.215 0.000 0.801 309 A HN 0.676 nan 8.150 nan 0.000 0.455 310 L N -1.921 119.070 121.223 -0.387 0.000 2.551 310 L HA -0.101 4.239 4.340 -0.000 0.000 0.228 310 L C 1.813 178.630 176.870 -0.089 0.000 1.153 310 L CA 0.569 55.243 54.840 -0.277 0.000 0.851 310 L CB -0.541 41.257 42.059 -0.437 0.000 0.959 310 L HN 0.531 nan 8.230 nan 0.000 0.451 311 Y N 0.419 120.688 120.300 -0.051 0.000 2.516 311 Y HA 0.075 4.624 4.550 -0.000 0.000 0.291 311 Y C 1.859 177.804 175.900 0.075 0.000 1.131 311 Y CA -0.422 57.675 58.100 -0.006 0.000 1.281 311 Y CB -0.034 38.396 38.460 -0.050 0.000 1.013 311 Y HN 0.170 nan 8.280 nan 0.000 0.554 312 A N 0.581 123.513 122.820 0.187 0.000 2.280 312 A HA 0.307 4.627 4.320 -0.000 0.000 0.268 312 A C 0.610 178.259 177.584 0.107 0.000 1.111 312 A CA -0.162 51.945 52.037 0.117 0.000 0.814 312 A CB -0.074 18.951 19.000 0.040 0.000 1.093 312 A HN 0.295 nan 8.150 nan 0.000 0.498 313 S N -0.559 115.165 115.700 0.039 0.000 2.576 313 S HA 0.073 4.543 4.470 -0.000 0.000 0.272 313 S C 0.664 175.137 174.600 -0.212 0.000 1.352 313 S CA 0.475 58.650 58.200 -0.042 0.000 1.021 313 S CB 0.350 63.545 63.200 -0.008 0.000 0.887 313 S HN 0.683 nan 8.310 nan 0.000 0.542 314 E N 0.710 120.709 120.200 -0.335 0.000 2.085 314 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 314 E C 1.999 178.522 176.600 -0.128 0.000 0.994 314 E CA 1.508 57.728 56.400 -0.301 0.000 0.801 314 E CB -0.170 29.384 29.700 -0.243 0.000 0.743 314 E HN 0.929 nan 8.360 nan 0.000 0.453 315 E N 1.283 121.438 120.200 -0.075 0.000 2.051 315 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 315 E C 1.751 178.345 176.600 -0.010 0.000 0.991 315 E CA 1.321 57.706 56.400 -0.025 0.000 0.799 315 E CB 0.063 29.756 29.700 -0.011 0.000 0.748 315 E HN 0.245 nan 8.360 nan 0.000 0.449 316 E N 0.465 120.653 120.200 -0.020 0.000 2.077 316 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 316 E C 2.201 178.800 176.600 -0.002 0.000 0.989 316 E CA 1.357 57.754 56.400 -0.006 0.000 0.800 316 E CB -0.100 29.599 29.700 -0.003 0.000 0.746 316 E HN 0.374 nan 8.360 nan 0.000 0.452 317 I N 0.750 121.306 120.570 -0.024 0.000 2.163 317 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 317 I C 2.508 178.657 176.117 0.053 0.000 1.085 317 I CA 1.316 62.615 61.300 -0.002 0.000 1.347 317 I CB -0.581 37.391 38.000 -0.046 0.000 1.044 317 I HN 0.208 nan 8.210 nan 0.000 0.408 318 G N -0.014 108.816 108.800 0.049 0.000 2.442 318 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 318 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 318 G C 1.555 176.557 174.900 0.171 0.000 1.141 318 G CA 0.547 45.727 45.100 0.133 0.000 0.763 318 G HN 0.436 nan 8.290 nan 0.000 0.554 319 Q N -0.251 119.595 119.800 0.077 0.000 2.083 319 Q HA 0.123 4.463 4.340 -0.000 0.000 0.198 319 Q C 2.622 178.629 176.000 0.011 0.000 0.969 319 Q CA 0.706 56.521 55.803 0.019 0.000 0.838 319 Q CB -0.241 28.501 28.738 0.007 0.000 0.900 319 Q HN 0.425 nan 8.270 nan 0.000 0.436 320 L N -0.064 121.180 121.223 0.035 0.000 2.083 320 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 320 L C 2.315 179.234 176.870 0.081 0.000 1.083 320 L CA 0.702 55.568 54.840 0.043 0.000 0.752 320 L CB -0.466 41.614 42.059 0.035 0.000 0.899 320 L HN 0.100 nan 8.230 nan 0.000 0.433 321 V N 0.274 120.263 119.914 0.125 0.000 2.295 321 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 321 V C 2.607 178.779 176.094 0.130 0.000 1.049 321 V CA 2.072 64.479 62.300 0.178 0.000 1.024 321 V CB -0.552 31.386 31.823 0.192 0.000 0.648 321 V HN 0.481 nan 8.190 nan 0.000 0.447 322 K N 0.069 120.481 120.400 0.020 0.000 2.044 322 K HA -0.330 3.990 4.320 -0.000 0.000 0.210 322 K C 2.252 178.799 176.600 -0.088 0.000 1.049 322 K CA 2.332 58.485 56.287 -0.223 0.000 0.927 322 K CB -0.220 31.923 32.500 -0.594 0.000 0.713 322 K HN 0.407 nan 8.250 nan 0.000 0.443 323 Q N 0.851 120.623 119.800 -0.047 0.000 2.084 323 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 323 Q C 2.077 178.077 176.000 0.000 0.000 0.978 323 Q CA 2.079 57.864 55.803 -0.029 0.000 0.844 323 Q CB -0.229 28.497 28.738 -0.020 0.000 0.898 323 Q HN 0.494 nan 8.270 nan 0.000 0.426 324 M N -0.920 118.717 119.600 0.062 0.000 2.080 324 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 324 M C 1.283 177.680 176.300 0.162 0.000 1.068 324 M CA 1.421 56.798 55.300 0.129 0.000 1.109 324 M CB -0.062 32.693 32.600 0.257 0.000 1.342 324 M HN 0.357 nan 8.290 nan 0.000 0.405 325 L N 0.740 122.061 121.223 0.164 0.000 2.131 325 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 325 L C 1.950 178.848 176.870 0.047 0.000 1.092 325 L CA 1.653 56.580 54.840 0.146 0.000 0.759 325 L CB -1.063 41.105 42.059 0.181 0.000 0.903 325 L HN 0.301 nan 8.230 nan 0.000 0.435 326 D N -0.339 120.065 120.400 0.006 0.000 2.117 326 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 326 D C 1.747 178.013 176.300 -0.057 0.000 0.987 326 D CA 1.249 55.233 54.000 -0.027 0.000 0.829 326 D CB -0.079 40.696 40.800 -0.042 0.000 0.961 326 D HN 0.304 nan 8.370 nan 0.000 0.460 327 D N -0.611 119.728 120.400 -0.102 0.000 2.117 327 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 327 D C 1.940 178.081 176.300 -0.266 0.000 0.982 327 D CA 0.491 54.371 54.000 -0.199 0.000 0.828 327 D CB -0.438 40.187 40.800 -0.291 0.000 0.967 327 D HN 0.247 nan 8.370 nan 0.000 0.464 328 F N 0.605 120.393 119.950 -0.270 0.000 2.259 328 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 328 F C 1.740 177.389 175.800 -0.253 0.000 1.088 328 F CA 0.847 58.604 58.000 -0.405 0.000 1.358 328 F CB -0.142 38.215 39.000 -1.071 0.000 1.040 328 F HN 0.009 nan 8.300 nan 0.000 0.505 329 G N 0.348 109.145 108.800 -0.006 0.000 2.846 329 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.660 329 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.660 329 G C -1.978 172.923 174.900 0.002 0.000 1.464 329 G CA -0.413 44.691 45.100 0.007 0.000 0.891 329 G HN 0.102 nan 8.290 nan 0.000 0.552 330 P HA -0.019 nan 4.420 nan 0.000 0.222 330 P C 0.428 177.657 177.300 -0.118 0.000 1.153 330 P CA 1.082 64.100 63.100 -0.137 0.000 0.798 330 P CB 0.048 31.581 31.700 -0.278 0.000 0.796 331 H N 1.024 120.156 119.070 0.104 0.000 2.525 331 H HA 0.304 4.860 4.556 -0.000 0.000 0.339 331 H C 0.589 175.986 175.328 0.114 0.000 1.109 331 H CA -0.401 55.700 56.048 0.089 0.000 1.352 331 H CB 0.556 30.356 29.762 0.064 0.000 1.461 331 H HN 0.005 nan 8.280 nan 0.000 0.533 332 R N 0.350 120.976 120.500 0.209 0.000 3.267 332 R HA -0.244 4.096 4.340 -0.000 0.000 0.254 332 R C -1.309 175.101 176.300 0.183 0.000 0.993 332 R CA 0.456 56.646 56.100 0.149 0.000 0.670 332 R CB -1.965 28.421 30.300 0.143 0.000 1.125 332 R HN 0.561 nan 8.270 nan 0.000 0.434 333 Y N 0.110 120.386 120.300 -0.040 0.000 2.441 333 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 333 Y C -1.117 174.698 175.900 -0.143 0.000 1.061 333 Y CA -1.595 56.425 58.100 -0.134 0.000 1.032 333 Y CB 1.400 39.775 38.460 -0.142 0.000 1.266 333 Y HN 0.137 nan 8.280 nan 0.000 0.441 334 I N 5.632 125.816 120.570 -0.643 0.000 2.418 334 I HA 0.678 4.848 4.170 -0.000 0.000 0.287 334 I C -0.209 175.349 176.117 -0.931 0.000 1.008 334 I CA -1.038 59.913 61.300 -0.581 0.000 1.104 334 I CB 1.803 39.717 38.000 -0.144 0.000 1.264 334 I HN 0.827 nan 8.210 nan 0.000 0.438 335 A N 5.753 128.041 122.820 -0.887 0.000 2.388 335 A HA 0.633 4.953 4.320 -0.000 0.000 0.257 335 A C -0.258 177.162 177.584 -0.273 0.000 1.095 335 A CA 0.006 51.680 52.037 -0.605 0.000 0.791 335 A CB 0.556 19.311 19.000 -0.408 0.000 1.029 335 A HN 0.779 nan 8.150 nan 0.000 0.489 336 N N 0.488 119.113 118.700 -0.126 0.000 3.116 336 N HA 0.352 5.092 4.740 -0.000 0.000 0.244 336 N C -1.075 174.371 175.510 -0.107 0.000 1.485 336 N CA -0.582 52.344 53.050 -0.207 0.000 0.884 336 N CB 0.637 38.764 38.487 -0.599 0.000 1.415 336 N HN 0.485 nan 8.380 nan 0.000 0.524 337 L N 0.053 121.069 121.223 -0.345 0.000 2.479 337 L HA 0.369 4.708 4.340 -0.000 0.000 0.248 337 L C 1.906 178.672 176.870 -0.173 0.000 1.205 337 L CA -0.108 54.517 54.840 -0.358 0.000 0.817 337 L CB 0.305 42.053 42.059 -0.518 0.000 1.162 337 L HN 0.814 nan 8.230 nan 0.000 0.486 338 G N -2.047 106.763 108.800 0.017 0.000 2.813 338 G HA2 0.020 3.979 3.960 -0.000 0.000 0.209 338 G HA3 0.020 3.979 3.960 -0.000 0.000 0.209 338 G C 0.152 175.337 174.900 0.475 0.000 1.150 338 G CA 0.482 45.777 45.100 0.325 0.000 0.785 338 G HN 0.613 nan 8.290 nan 0.000 0.535 339 H N -2.238 116.902 119.070 0.117 0.000 2.849 339 H HA 0.454 5.010 4.556 -0.000 0.000 0.271 339 H C 0.269 175.563 175.328 -0.057 0.000 1.461 339 H CA -0.470 55.687 56.048 0.182 0.000 1.146 339 H CB 0.592 30.639 29.762 0.475 0.000 1.834 339 H HN 0.134 nan 8.280 nan 0.000 0.555 340 G N 0.934 109.626 108.800 -0.180 0.000 2.569 340 G HA2 0.409 4.369 3.960 -0.000 0.000 0.249 340 G HA3 0.409 4.369 3.960 -0.000 0.000 0.249 340 G C -0.181 174.559 174.900 -0.266 0.000 1.216 340 G CA -0.543 44.417 45.100 -0.234 0.000 0.845 340 G HN 0.561 nan 8.290 nan 0.000 0.568 341 L N 0.520 121.548 121.223 -0.324 0.000 2.514 341 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 341 L C 0.147 176.962 176.870 -0.092 0.000 1.223 341 L CA 0.267 54.862 54.840 -0.408 0.000 0.864 341 L CB 0.186 41.895 42.059 -0.584 0.000 1.118 341 L HN 0.469 nan 8.230 nan 0.000 0.494 342 Y N 2.424 122.554 120.300 -0.283 0.000 2.403 342 Y HA 0.169 4.719 4.550 -0.000 0.000 0.323 342 Y C -1.302 174.557 175.900 -0.067 0.000 1.226 342 Y CA -2.218 55.791 58.100 -0.152 0.000 1.235 342 Y CB 0.855 39.248 38.460 -0.111 0.000 1.248 342 Y HN 0.489 nan 8.280 nan 0.000 0.489 343 P HA -0.156 nan 4.420 nan 0.000 0.222 343 P C 0.355 177.735 177.300 0.134 0.000 1.147 343 P CA 1.459 64.623 63.100 0.107 0.000 0.790 343 P CB 0.086 31.817 31.700 0.051 0.000 0.780 344 D N -2.201 118.296 120.400 0.161 0.000 2.342 344 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 344 D C 0.452 176.866 176.300 0.190 0.000 1.101 344 D CA 0.049 54.145 54.000 0.160 0.000 0.837 344 D CB -0.637 40.250 40.800 0.146 0.000 0.938 344 D HN 0.150 nan 8.370 nan 0.000 0.508 345 M N 0.393 120.078 119.600 0.140 0.000 2.288 345 M HA 0.155 4.635 4.480 -0.000 0.000 0.334 345 M C 0.045 176.388 176.300 0.071 0.000 1.150 345 M CA -0.526 54.789 55.300 0.025 0.000 1.118 345 M CB 1.100 33.562 32.600 -0.230 0.000 1.501 345 M HN -0.213 nan 8.290 nan 0.000 0.462 346 D N 2.329 122.709 120.400 -0.033 0.000 2.280 346 D HA 0.230 4.870 4.640 -0.000 0.000 0.243 346 D C -1.978 174.403 176.300 0.134 0.000 1.129 346 D CA -2.084 51.907 54.000 -0.015 0.000 0.848 346 D CB 1.503 42.122 40.800 -0.302 0.000 1.107 346 D HN 0.157 nan 8.370 nan 0.000 0.471 347 P HA -0.154 nan 4.420 nan 0.000 0.216 347 P C 0.941 178.495 177.300 0.423 0.000 1.150 347 P CA 0.995 64.391 63.100 0.493 0.000 0.843 347 P CB 0.382 32.327 31.700 0.408 0.000 0.787 348 E N -1.416 118.969 120.200 0.308 0.000 2.153 348 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 348 E C 1.814 178.592 176.600 0.296 0.000 0.988 348 E CA 1.273 57.859 56.400 0.310 0.000 0.811 348 E CB -0.829 29.032 29.700 0.268 0.000 0.746 348 E HN 0.479 nan 8.360 nan 0.000 0.466 349 H N -0.236 118.854 119.070 0.033 0.000 2.436 349 H HA 0.021 4.577 4.556 -0.000 0.000 0.294 349 H C 2.188 177.444 175.328 -0.119 0.000 1.048 349 H CA 0.571 56.597 56.048 -0.037 0.000 1.353 349 H CB -0.274 29.453 29.762 -0.057 0.000 1.414 349 H HN -0.065 nan 8.280 nan 0.000 0.536 350 V N 0.054 119.921 119.914 -0.078 0.000 2.343 350 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 350 V C 2.641 178.437 176.094 -0.497 0.000 1.051 350 V CA 1.926 64.013 62.300 -0.356 0.000 1.036 350 V CB -1.118 30.383 31.823 -0.537 0.000 0.654 350 V HN 0.598 nan 8.190 nan 0.000 0.451 351 G N -0.280 108.249 108.800 -0.451 0.000 2.440 351 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 351 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 351 G C 1.770 176.626 174.900 -0.074 0.000 1.154 351 G CA 1.122 46.121 45.100 -0.169 0.000 0.767 351 G HN 0.616 nan 8.290 nan 0.000 0.552 352 A N 0.387 123.183 122.820 -0.039 0.000 1.902 352 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 352 A C 2.157 179.706 177.584 -0.058 0.000 1.181 352 A CA 1.647 53.652 52.037 -0.053 0.000 0.623 352 A CB -0.560 18.387 19.000 -0.088 0.000 0.818 352 A HN 0.416 nan 8.150 nan 0.000 0.443 353 F N 0.912 120.739 119.950 -0.204 0.000 2.069 353 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 353 F C 2.256 177.918 175.800 -0.230 0.000 1.113 353 F CA 2.028 59.903 58.000 -0.210 0.000 1.214 353 F CB -0.637 38.206 39.000 -0.260 0.000 0.978 353 F HN 0.028 nan 8.300 nan 0.000 0.474 354 V N 0.730 120.397 119.914 -0.412 0.000 2.295 354 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 354 V C 2.183 177.956 176.094 -0.536 0.000 1.049 354 V CA 2.320 64.286 62.300 -0.557 0.000 1.024 354 V CB -0.776 30.855 31.823 -0.320 0.000 0.648 354 V HN 0.291 nan 8.190 nan 0.000 0.447 355 D N 0.250 120.486 120.400 -0.272 0.000 2.178 355 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 355 D C 2.168 178.340 176.300 -0.213 0.000 0.980 355 D CA 1.579 55.484 54.000 -0.159 0.000 0.842 355 D CB -0.262 40.493 40.800 -0.075 0.000 0.948 355 D HN 0.462 nan 8.370 nan 0.000 0.472 356 A N 0.485 123.149 122.820 -0.260 0.000 1.929 356 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 356 A C 2.507 179.946 177.584 -0.242 0.000 1.176 356 A CA 0.833 52.707 52.037 -0.272 0.000 0.628 356 A CB -0.595 18.330 19.000 -0.125 0.000 0.816 356 A HN 0.127 nan 8.150 nan 0.000 0.444 357 V N -0.197 119.514 119.914 -0.337 0.000 2.295 357 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 357 V C 2.296 178.357 176.094 -0.054 0.000 1.049 357 V CA 2.377 64.532 62.300 -0.243 0.000 1.024 357 V CB -1.187 30.347 31.823 -0.481 0.000 0.648 357 V HN 0.737 nan 8.190 nan 0.000 0.447 358 H N -0.136 118.860 119.070 -0.122 0.000 2.293 358 H HA -0.212 4.343 4.556 -0.000 0.000 0.300 358 H C 2.459 177.729 175.328 -0.097 0.000 1.082 358 H CA 1.878 57.870 56.048 -0.094 0.000 1.308 358 H CB 0.028 29.684 29.762 -0.177 0.000 1.375 358 H HN 0.330 nan 8.280 nan 0.000 0.495 359 K N 0.199 120.575 120.400 -0.040 0.000 2.002 359 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 359 K C 1.864 178.424 176.600 -0.067 0.000 1.048 359 K CA 1.637 57.848 56.287 -0.125 0.000 0.930 359 K CB 0.032 32.364 32.500 -0.281 0.000 0.714 359 K HN 0.385 nan 8.250 nan 0.000 0.438 360 H N -0.001 119.085 119.070 0.026 0.000 2.462 360 H HA -0.014 4.542 4.556 -0.000 0.000 0.292 360 H C 2.374 177.735 175.328 0.054 0.000 1.049 360 H CA 1.457 57.525 56.048 0.032 0.000 1.334 360 H CB -0.085 29.692 29.762 0.024 0.000 1.404 360 H HN 0.415 nan 8.280 nan 0.000 0.544 361 S N 0.609 116.419 115.700 0.183 0.000 2.406 361 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 361 S C 2.105 176.786 174.600 0.136 0.000 1.020 361 S CA 0.385 58.684 58.200 0.165 0.000 0.965 361 S CB 0.033 63.348 63.200 0.192 0.000 0.798 361 S HN 0.277 nan 8.310 nan 0.000 0.488 362 R N 0.892 121.467 120.500 0.126 0.000 2.075 362 R HA 0.184 4.524 4.340 -0.000 0.000 0.232 362 R C 2.339 178.683 176.300 0.073 0.000 1.126 362 R CA 1.393 57.549 56.100 0.093 0.000 0.963 362 R CB -0.670 29.664 30.300 0.057 0.000 0.858 362 R HN 0.397 nan 8.270 nan 0.000 0.435 363 L N 0.590 121.862 121.223 0.083 0.000 2.127 363 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 363 L C 2.274 179.183 176.870 0.065 0.000 1.089 363 L CA 0.622 55.509 54.840 0.078 0.000 0.757 363 L CB -0.340 41.788 42.059 0.115 0.000 0.899 363 L HN 0.198 nan 8.230 nan 0.000 0.434 364 L N -0.405 120.860 121.223 0.071 0.000 2.395 364 L HA -0.079 4.261 4.340 -0.000 0.000 0.218 364 L C 2.390 179.276 176.870 0.026 0.000 1.130 364 L CA 1.463 56.330 54.840 0.045 0.000 0.826 364 L CB -0.391 41.699 42.059 0.052 0.000 0.941 364 L HN 0.048 nan 8.230 nan 0.000 0.451 365 R N -1.529 118.991 120.500 0.033 0.000 2.223 365 R HA 0.189 4.529 4.340 -0.000 0.000 0.198 365 R C 0.635 176.952 176.300 0.028 0.000 0.984 365 R CA 0.258 56.371 56.100 0.022 0.000 1.018 365 R CB 0.302 30.620 30.300 0.031 0.000 0.945 365 R HN 0.352 nan 8.270 nan 0.000 0.479 366 Q N 0.000 119.819 119.800 0.032 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.820 55.803 0.029 0.000 1.022 366 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481