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 3n2o_1_A DATA FIRST_RESID 10 DATA SEQUENCE KLDRVRADYN VHYWSQGFYG IDDQGEMYVS PRSDNAHQIQ LSKIVKQLEE DATA SEQUENCE RQLNVPVLVR FPQILHQRVH SICDAFNQAI EEYQYPNKYL LVYPIKVNQQ DATA SEQUENCE REVVDEILAS QAQLETKQLG LEAGSKPELL AVLAMAQHAS SVIVCNGYKD DATA SEQUENCE REYIRLALIG EKLGHKVFIV LEKMSELDLV LREAKSLGVT PRLGIRIRLA DATA SEQUENCE SQGAGKWQAS GGEKSKFGLS ASQVLNVISR LKKENQLDTL QLVHFHLGSQ DATA SEQUENCE MANIRDVRNG VNESARFYCE LRTLGANITY FDVGGGLAID YDGTRSQSSN DATA SEQUENCE SMNYGLVEYA RNIVNTVGDV CKDYKQPMPV IISESGRSLT AHHAVLISNV DATA SEQUENCE IGTETYKPET VTEPEEDFPL LLNNMWRSWL NLHNGTDARA LIEIYNDTQS DATA SEQUENCE DLAEVHSQFA TGVLTLEHRA WAEQTSLRIY YELNRLMSTK NRFHRPILDE DATA SEQUENCE LSERLADKFF VNFSLFQSLP DSWGIDQVFP VLPLSGLQNA ADRRAVMLDI DATA SEQUENCE TCDSDGAIDA YVDGQGIEST LPVPAWNEDE PYLMGFFLVG AYQEILGDMH DATA SEQUENCE NLFGDTHSVV VNVGDQGEIN IDFINEGDTV EDMMRYVHID VDQIRKNYHS DATA SEQUENCE LVSQRVDQEE QQQILAELEQ GLSGYTYLED 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 10 K HA 0.000 nan 4.320 nan 0.000 0.191 10 K C 0.000 176.605 176.600 0.009 0.000 0.988 10 K CA 0.000 56.291 56.287 0.006 0.000 0.838 10 K CB 0.000 32.500 32.500 0.000 0.000 1.064 11 L N 2.320 123.552 121.223 0.015 0.000 2.156 11 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 11 L C 1.076 177.957 176.870 0.019 0.000 1.095 11 L CA 1.877 56.732 54.840 0.025 0.000 0.770 11 L CB 0.000 42.078 42.059 0.031 0.000 0.914 11 L HN 0.656 nan 8.230 nan 0.000 0.439 12 D N -1.214 119.190 120.400 0.007 0.000 2.234 12 D HA -0.081 4.558 4.640 -0.001 0.000 0.205 12 D C 2.125 178.421 176.300 -0.007 0.000 0.962 12 D CA 0.530 54.530 54.000 0.001 0.000 0.855 12 D CB 0.034 40.831 40.800 -0.005 0.000 0.951 12 D HN 0.140 nan 8.370 nan 0.000 0.500 13 R N 0.374 120.867 120.500 -0.011 0.000 2.119 13 R HA 0.032 4.372 4.340 -0.001 0.000 0.222 13 R C 2.004 178.278 176.300 -0.043 0.000 1.088 13 R CA 0.344 56.430 56.100 -0.024 0.000 0.984 13 R CB -0.169 30.116 30.300 -0.024 0.000 0.884 13 R HN 0.111 nan 8.270 nan 0.000 0.447 14 V N 1.123 121.017 119.914 -0.034 0.000 2.343 14 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 14 V C 2.345 178.423 176.094 -0.028 0.000 1.051 14 V CA 1.671 63.936 62.300 -0.058 0.000 1.036 14 V CB -0.467 31.361 31.823 0.007 0.000 0.654 14 V HN 0.293 nan 8.190 nan 0.000 0.451 15 R N -0.074 120.441 120.500 0.024 0.000 2.103 15 R HA -0.201 4.139 4.340 -0.001 0.000 0.242 15 R C 2.328 178.634 176.300 0.011 0.000 1.142 15 R CA 1.678 57.804 56.100 0.045 0.000 0.960 15 R CB -0.566 29.751 30.300 0.028 0.000 0.858 15 R HN 0.551 nan 8.270 nan 0.000 0.439 16 A N 1.000 123.809 122.820 -0.018 0.000 2.066 16 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 16 A C 1.394 178.938 177.584 -0.067 0.000 1.157 16 A CA 1.328 53.345 52.037 -0.033 0.000 0.670 16 A CB -0.124 18.866 19.000 -0.018 0.000 0.804 16 A HN 0.195 nan 8.150 nan 0.000 0.453 17 D N -1.295 119.031 120.400 -0.123 0.000 2.178 17 D HA -0.109 4.531 4.640 -0.001 0.000 0.202 17 D C 1.325 177.497 176.300 -0.213 0.000 0.974 17 D CA 1.314 55.185 54.000 -0.215 0.000 0.841 17 D CB -0.191 40.401 40.800 -0.346 0.000 0.953 17 D HN 0.594 nan 8.370 nan 0.000 0.478 18 Y N 0.472 120.753 120.300 -0.031 0.000 2.343 18 Y HA 0.091 4.641 4.550 -0.001 0.000 0.294 18 Y C 0.714 176.560 175.900 -0.090 0.000 1.122 18 Y CA -0.091 57.998 58.100 -0.019 0.000 1.173 18 Y CB -0.254 38.201 38.460 -0.009 0.000 1.077 18 Y HN -0.179 nan 8.280 nan 0.000 0.542 19 N N 0.134 118.789 118.700 -0.075 0.000 2.705 19 N HA -0.174 4.565 4.740 -0.001 0.000 0.255 19 N C 0.971 176.096 175.510 -0.642 0.000 1.008 19 N CA 0.741 53.465 53.050 -0.544 0.000 0.742 19 N CB -1.233 36.739 38.487 -0.858 0.000 0.906 19 N HN 0.132 nan 8.380 nan 0.000 0.541 20 V N 0.546 120.201 119.914 -0.432 0.000 2.380 20 V HA -0.304 3.815 4.120 -0.001 0.000 0.251 20 V C 2.425 177.896 176.094 -1.038 0.000 1.063 20 V CA 2.343 64.168 62.300 -0.791 0.000 1.055 20 V CB -0.545 30.923 31.823 -0.591 0.000 0.657 20 V HN 0.724 nan 8.190 nan 0.000 0.455 21 H N -1.618 117.087 119.070 -0.608 0.000 2.456 21 H HA -0.197 4.359 4.556 -0.001 0.000 0.296 21 H C 2.168 177.369 175.328 -0.212 0.000 1.079 21 H CA 1.777 57.574 56.048 -0.419 0.000 1.322 21 H CB -0.791 28.803 29.762 -0.281 0.000 1.388 21 H HN 0.445 nan 8.280 nan 0.000 0.538 22 Y N 1.200 121.161 120.300 -0.566 0.000 2.274 22 Y HA -0.196 4.353 4.550 -0.001 0.000 0.290 22 Y C 2.568 178.424 175.900 -0.072 0.000 1.145 22 Y CA 0.744 58.690 58.100 -0.257 0.000 1.203 22 Y CB -0.721 37.629 38.460 -0.184 0.000 0.984 22 Y HN 0.576 nan 8.280 nan 0.000 0.533 23 W N -1.262 120.102 121.300 0.106 0.000 2.993 23 W HA 0.243 4.903 4.660 -0.001 0.000 0.290 23 W C 1.546 178.189 176.519 0.207 0.000 1.203 23 W CA 0.843 58.250 57.345 0.104 0.000 1.582 23 W CB -1.025 28.464 29.460 0.047 0.000 1.033 23 W HN 0.132 nan 8.180 nan 0.000 0.594 24 S N 0.696 116.234 115.700 -0.271 0.000 2.501 24 S HA -0.089 4.381 4.470 -0.001 0.000 0.220 24 S C 1.071 175.722 174.600 0.085 0.000 0.997 24 S CA 0.437 58.603 58.200 -0.056 0.000 0.919 24 S CB -0.528 62.364 63.200 -0.514 0.000 0.778 24 S HN 0.242 nan 8.310 nan 0.000 0.523 25 Q N 0.149 119.879 119.800 -0.117 0.000 2.461 25 Q HA -0.208 4.131 4.340 -0.001 0.000 0.273 25 Q C 0.986 176.556 176.000 -0.717 0.000 1.163 25 Q CA 0.839 56.398 55.803 -0.407 0.000 0.929 25 Q CB -2.501 25.891 28.738 -0.577 0.000 1.334 25 Q HN 1.325 nan 8.270 nan 0.000 0.499 26 G N -1.360 107.177 108.800 -0.438 0.000 2.168 26 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.263 26 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.263 26 G C 0.304 174.976 174.900 -0.381 0.000 0.977 26 G CA 0.547 45.420 45.100 -0.378 0.000 0.659 26 G HN 0.376 nan 8.290 nan 0.000 0.533 27 F N -0.741 119.101 119.950 -0.181 0.000 2.473 27 F HA 0.406 4.932 4.527 -0.001 0.000 0.294 27 F C 1.116 176.421 175.800 -0.824 0.000 1.103 27 F CA -0.122 57.611 58.000 -0.444 0.000 1.442 27 F CB -0.059 38.658 39.000 -0.472 0.000 1.097 27 F HN 0.239 nan 8.300 nan 0.000 0.547 28 Y N -1.020 119.263 120.300 -0.028 0.000 2.545 28 Y HA 0.699 5.249 4.550 -0.001 0.000 0.348 28 Y C 0.442 175.960 175.900 -0.637 0.000 1.002 28 Y CA -1.490 56.433 58.100 -0.295 0.000 1.039 28 Y CB 1.807 40.180 38.460 -0.145 0.000 1.271 28 Y HN -0.110 nan 8.280 nan 0.000 0.467 29 G N 0.640 108.857 108.800 -0.972 0.000 2.488 29 G HA2 0.579 4.538 3.960 -0.001 0.000 0.301 29 G HA3 0.579 4.538 3.960 -0.001 0.000 0.301 29 G C -2.184 172.271 174.900 -0.741 0.000 1.339 29 G CA -0.925 43.684 45.100 -0.819 0.000 0.803 29 G HN 0.490 nan 8.290 nan 0.000 0.482 30 I N 2.015 122.464 120.570 -0.202 0.000 2.355 30 I HA 0.282 4.451 4.170 -0.001 0.000 0.288 30 I C -0.256 176.011 176.117 0.250 0.000 0.999 30 I CA -0.773 60.541 61.300 0.024 0.000 1.163 30 I CB 1.646 39.662 38.000 0.026 0.000 1.316 30 I HN 0.673 nan 8.210 nan 0.000 0.454 31 D N 4.193 124.808 120.400 0.358 0.000 2.447 31 D HA 0.037 4.677 4.640 -0.001 0.000 0.265 31 D C 0.463 176.827 176.300 0.107 0.000 1.250 31 D CA -0.273 53.865 54.000 0.230 0.000 1.046 31 D CB 0.771 41.660 40.800 0.147 0.000 1.095 31 D HN 0.361 nan 8.370 nan 0.000 0.555 32 D N -1.044 119.385 120.400 0.048 0.000 2.269 32 D HA -0.100 4.539 4.640 -0.001 0.000 0.208 32 D C 1.346 177.664 176.300 0.031 0.000 0.963 32 D CA 0.753 54.771 54.000 0.030 0.000 0.864 32 D CB 0.100 40.904 40.800 0.006 0.000 0.936 32 D HN 0.502 nan 8.370 nan 0.000 0.505 33 Q N -0.159 119.662 119.800 0.035 0.000 2.466 33 Q HA 0.182 4.521 4.340 -0.001 0.000 0.210 33 Q C 0.983 177.008 176.000 0.042 0.000 0.961 33 Q CA 0.324 56.147 55.803 0.033 0.000 0.953 33 Q CB 0.371 29.127 28.738 0.031 0.000 1.011 33 Q HN 0.177 nan 8.270 nan 0.000 0.516 34 G N 1.340 110.173 108.800 0.056 0.000 2.221 34 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.265 34 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.265 34 G C -0.392 174.544 174.900 0.061 0.000 1.041 34 G CA 0.011 45.148 45.100 0.061 0.000 0.807 34 G HN 0.221 nan 8.290 nan 0.000 0.502 35 E N -0.226 120.025 120.200 0.084 0.000 2.195 35 E HA 0.461 4.810 4.350 -0.001 0.000 0.271 35 E C 0.762 177.439 176.600 0.127 0.000 0.923 35 E CA -0.862 55.592 56.400 0.090 0.000 0.790 35 E CB 0.987 30.746 29.700 0.099 0.000 1.155 35 E HN 0.244 nan 8.360 nan 0.000 0.402 36 M N 2.763 122.419 119.600 0.094 0.000 2.200 36 M HA 0.164 4.644 4.480 -0.001 0.000 0.355 36 M C -0.360 176.040 176.300 0.166 0.000 1.283 36 M CA -0.138 55.203 55.300 0.069 0.000 1.124 36 M CB -0.242 32.413 32.600 0.092 0.000 1.625 36 M HN 0.435 nan 8.290 nan 0.000 0.463 37 Y N 1.013 121.389 120.300 0.127 0.000 2.598 37 Y HA 0.820 5.369 4.550 -0.001 0.000 0.340 37 Y C -1.047 174.942 175.900 0.148 0.000 1.038 37 Y CA -1.536 56.630 58.100 0.111 0.000 1.100 37 Y CB 0.902 39.387 38.460 0.042 0.000 1.281 37 Y HN 0.382 nan 8.280 nan 0.000 0.488 38 V N 1.384 121.444 119.914 0.245 0.000 2.581 38 V HA 0.654 4.773 4.120 -0.001 0.000 0.303 38 V C -0.892 175.215 176.094 0.021 0.000 1.041 38 V CA -0.348 61.907 62.300 -0.075 0.000 0.907 38 V CB 1.736 33.238 31.823 -0.536 0.000 0.994 38 V HN 0.931 nan 8.190 nan 0.000 0.442 39 S N 7.192 122.863 115.700 -0.049 0.000 2.542 39 S HA 0.607 5.076 4.470 -0.001 0.000 0.245 39 S C -2.092 172.497 174.600 -0.019 0.000 1.325 39 S CA -1.012 57.200 58.200 0.020 0.000 1.176 39 S CB 1.476 64.739 63.200 0.106 0.000 1.045 39 S HN 0.815 nan 8.310 nan 0.000 0.481 40 P HA 0.204 nan 4.420 nan 0.000 0.260 40 P C -0.044 177.274 177.300 0.030 0.000 1.222 40 P CA -0.129 62.924 63.100 -0.079 0.000 0.843 40 P CB 0.314 31.921 31.700 -0.155 0.000 1.159 41 R N 0.573 121.109 120.500 0.059 0.000 2.539 41 R HA 0.217 4.557 4.340 -0.001 0.000 0.275 41 R C 1.639 177.997 176.300 0.097 0.000 1.077 41 R CA 0.246 56.399 56.100 0.088 0.000 1.097 41 R CB 0.321 30.675 30.300 0.091 0.000 1.018 41 R HN 0.065 nan 8.270 nan 0.000 0.483 42 S N 0.711 116.475 115.700 0.106 0.000 2.402 42 S HA -0.159 4.311 4.470 -0.001 0.000 0.229 42 S C 1.133 175.764 174.600 0.052 0.000 1.021 42 S CA 1.298 59.553 58.200 0.091 0.000 0.974 42 S CB -0.269 62.982 63.200 0.085 0.000 0.800 42 S HN 0.788 nan 8.310 nan 0.000 0.484 43 D N 1.259 121.686 120.400 0.045 0.000 2.378 43 D HA -0.044 4.596 4.640 -0.001 0.000 0.227 43 D C 0.682 176.984 176.300 0.003 0.000 1.012 43 D CA 0.186 54.198 54.000 0.020 0.000 0.905 43 D CB -1.094 39.719 40.800 0.021 0.000 0.895 43 D HN 0.334 nan 8.370 nan 0.000 0.532 44 N N -0.718 117.991 118.700 0.016 0.000 2.681 44 N HA -0.312 4.427 4.740 -0.001 0.000 0.250 44 N C 1.015 176.498 175.510 -0.045 0.000 1.133 44 N CA 0.666 53.712 53.050 -0.007 0.000 0.732 44 N CB -0.828 37.643 38.487 -0.027 0.000 1.107 44 N HN 0.475 nan 8.380 nan 0.000 0.559 45 A N -0.070 122.731 122.820 -0.032 0.000 1.855 45 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 45 A C 0.778 178.190 177.584 -0.287 0.000 1.191 45 A CA 1.221 53.175 52.037 -0.137 0.000 0.613 45 A CB -0.109 18.867 19.000 -0.040 0.000 0.829 45 A HN 0.541 nan 8.150 nan 0.000 0.442 46 H N -0.365 118.685 119.070 -0.034 0.000 2.529 46 H HA 0.394 4.949 4.556 -0.001 0.000 0.348 46 H C -0.816 174.473 175.328 -0.065 0.000 1.079 46 H CA -0.541 55.478 56.048 -0.048 0.000 1.198 46 H CB 1.039 30.787 29.762 -0.022 0.000 1.521 46 H HN 0.472 nan 8.280 nan 0.000 0.514 47 Q N 2.113 121.894 119.800 -0.032 0.000 2.260 47 Q HA 0.412 4.751 4.340 -0.001 0.000 0.242 47 Q C -0.311 175.696 176.000 0.012 0.000 0.932 47 Q CA -0.572 55.178 55.803 -0.089 0.000 0.891 47 Q CB 1.704 30.196 28.738 -0.410 0.000 1.222 47 Q HN 0.396 nan 8.270 nan 0.000 0.453 48 I N 2.018 122.634 120.570 0.078 0.000 2.499 48 I HA 0.181 4.351 4.170 -0.001 0.000 0.288 48 I C -0.475 175.742 176.117 0.168 0.000 1.048 48 I CA -0.637 60.726 61.300 0.105 0.000 1.062 48 I CB 1.862 39.925 38.000 0.106 0.000 1.238 48 I HN 0.628 nan 8.210 nan 0.000 0.426 49 Q N 4.794 124.683 119.800 0.148 0.000 2.286 49 Q HA 0.243 4.582 4.340 -0.001 0.000 0.267 49 Q C 1.108 177.206 176.000 0.164 0.000 1.028 49 Q CA -0.147 55.758 55.803 0.170 0.000 0.901 49 Q CB 1.511 30.323 28.738 0.124 0.000 1.183 49 Q HN 0.528 nan 8.270 nan 0.000 0.392 50 L N 1.573 122.911 121.223 0.192 0.000 2.079 50 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 50 L C 2.402 179.353 176.870 0.135 0.000 1.081 50 L CA 1.584 56.541 54.840 0.195 0.000 0.752 50 L CB -0.580 41.609 42.059 0.218 0.000 0.896 50 L HN 0.729 nan 8.230 nan 0.000 0.433 51 S N -0.502 115.261 115.700 0.104 0.000 2.399 51 S HA -0.168 4.301 4.470 -0.001 0.000 0.231 51 S C 1.883 176.524 174.600 0.068 0.000 1.022 51 S CA 0.782 59.025 58.200 0.071 0.000 0.983 51 S CB -0.265 62.965 63.200 0.049 0.000 0.803 51 S HN 0.379 nan 8.310 nan 0.000 0.480 52 K N 0.915 121.362 120.400 0.078 0.000 2.217 52 K HA 0.198 4.517 4.320 -0.001 0.000 0.202 52 K C 1.999 178.642 176.600 0.072 0.000 1.051 52 K CA 0.831 57.158 56.287 0.067 0.000 0.952 52 K CB -0.353 32.185 32.500 0.065 0.000 0.736 52 K HN 0.491 nan 8.250 nan 0.000 0.453 53 I N 0.756 121.385 120.570 0.099 0.000 2.286 53 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 53 I C 2.226 178.384 176.117 0.068 0.000 1.104 53 I CA 0.745 62.104 61.300 0.099 0.000 1.397 53 I CB -0.259 37.834 38.000 0.155 0.000 1.072 53 I HN -0.174 nan 8.210 nan 0.000 0.417 54 V N 1.141 121.096 119.914 0.069 0.000 2.332 54 V HA -0.327 3.792 4.120 -0.001 0.000 0.248 54 V C 2.527 178.646 176.094 0.041 0.000 1.055 54 V CA 1.988 64.320 62.300 0.052 0.000 1.038 54 V CB -0.769 31.087 31.823 0.055 0.000 0.651 54 V HN 0.427 nan 8.190 nan 0.000 0.450 55 K N -0.042 120.382 120.400 0.040 0.000 2.063 55 K HA -0.288 4.031 4.320 -0.001 0.000 0.208 55 K C 2.310 178.923 176.600 0.022 0.000 1.048 55 K CA 2.082 58.386 56.287 0.030 0.000 0.928 55 K CB -0.151 32.366 32.500 0.028 0.000 0.713 55 K HN 0.539 nan 8.250 nan 0.000 0.442 56 Q N 0.431 120.245 119.800 0.023 0.000 2.167 56 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 56 Q C 2.051 178.051 176.000 -0.000 0.000 0.970 56 Q CA 1.052 56.862 55.803 0.012 0.000 0.855 56 Q CB 0.036 28.784 28.738 0.017 0.000 0.911 56 Q HN 0.369 nan 8.270 nan 0.000 0.438 57 L N 0.450 121.675 121.223 0.003 0.000 2.056 57 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 57 L C 2.585 179.443 176.870 -0.019 0.000 1.078 57 L CA 1.344 56.174 54.840 -0.017 0.000 0.749 57 L CB -0.521 41.532 42.059 -0.011 0.000 0.901 57 L HN 0.368 nan 8.230 nan 0.000 0.433 58 E N 0.640 120.842 120.200 0.003 0.000 2.077 58 E HA -0.268 4.081 4.350 -0.001 0.000 0.193 58 E C 1.950 178.549 176.600 -0.002 0.000 0.989 58 E CA 1.490 57.896 56.400 0.009 0.000 0.800 58 E CB 0.074 29.789 29.700 0.025 0.000 0.746 58 E HN 0.517 nan 8.360 nan 0.000 0.452 59 E N -0.035 120.164 120.200 -0.003 0.000 2.130 59 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 59 E C 1.854 178.443 176.600 -0.018 0.000 0.998 59 E CA 1.033 57.429 56.400 -0.007 0.000 0.806 59 E CB -0.013 29.684 29.700 -0.006 0.000 0.738 59 E HN 0.157 nan 8.360 nan 0.000 0.459 60 R N 0.636 121.118 120.500 -0.030 0.000 2.335 60 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 60 R C 0.207 176.470 176.300 -0.062 0.000 0.940 60 R CA 0.617 56.689 56.100 -0.046 0.000 1.086 60 R CB -0.181 30.085 30.300 -0.056 0.000 1.073 60 R HN 0.262 nan 8.270 nan 0.000 0.504 61 Q N -0.444 119.327 119.800 -0.048 0.000 2.502 61 Q HA -0.177 4.162 4.340 -0.001 0.000 0.273 61 Q C -1.422 174.520 176.000 -0.097 0.000 1.127 61 Q CA 0.724 56.498 55.803 -0.048 0.000 0.952 61 Q CB -2.149 26.564 28.738 -0.040 0.000 1.333 61 Q HN 0.339 nan 8.270 nan 0.000 0.494 62 L N 1.635 122.786 121.223 -0.121 0.000 2.280 62 L HA 0.573 4.913 4.340 -0.001 0.000 0.287 62 L C 0.027 176.888 176.870 -0.015 0.000 1.023 62 L CA -0.972 53.743 54.840 -0.207 0.000 0.819 62 L CB 1.229 43.093 42.059 -0.325 0.000 1.212 62 L HN 0.139 nan 8.230 nan 0.000 0.420 63 N N 1.194 119.956 118.700 0.104 0.000 2.508 63 N HA 0.399 5.139 4.740 -0.001 0.000 0.285 63 N C -0.300 175.386 175.510 0.293 0.000 1.144 63 N CA -0.538 52.626 53.050 0.190 0.000 0.978 63 N CB 1.859 40.483 38.487 0.229 0.000 1.180 63 N HN 0.319 nan 8.380 nan 0.000 0.484 64 V N -0.581 119.465 119.914 0.220 0.000 3.096 64 V HA 0.395 4.514 4.120 -0.001 0.000 0.306 64 V C -2.071 174.156 176.094 0.221 0.000 1.088 64 V CA -1.329 61.081 62.300 0.182 0.000 1.129 64 V CB 0.029 31.911 31.823 0.098 0.000 1.014 64 V HN 0.582 nan 8.190 nan 0.000 0.486 65 P HA 0.334 nan 4.420 nan 0.000 0.272 65 P C -0.728 176.606 177.300 0.056 0.000 1.223 65 P CA 0.022 63.073 63.100 -0.082 0.000 0.784 65 P CB 1.523 32.986 31.700 -0.394 0.000 0.923 66 V N 3.734 123.665 119.914 0.029 0.000 2.841 66 V HA 0.440 4.560 4.120 -0.001 0.000 0.310 66 V C -1.224 174.861 176.094 -0.015 0.000 1.090 66 V CA -1.135 61.200 62.300 0.060 0.000 0.930 66 V CB 2.145 34.017 31.823 0.082 0.000 1.014 66 V HN 0.358 nan 8.190 nan 0.000 0.425 67 L N 6.776 127.991 121.223 -0.013 0.000 2.272 67 L HA 0.725 5.064 4.340 -0.001 0.000 0.289 67 L C -0.773 176.035 176.870 -0.102 0.000 1.032 67 L CA 0.141 54.940 54.840 -0.069 0.000 0.810 67 L CB 1.575 43.599 42.059 -0.058 0.000 1.205 67 L HN 0.535 nan 8.230 nan 0.000 0.422 68 V N 5.963 125.773 119.914 -0.173 0.000 2.448 68 V HA 0.565 4.684 4.120 -0.001 0.000 0.295 68 V C 0.019 175.831 176.094 -0.471 0.000 1.025 68 V CA -0.693 61.426 62.300 -0.301 0.000 0.859 68 V CB 1.605 33.254 31.823 -0.289 0.000 0.988 68 V HN 0.672 nan 8.190 nan 0.000 0.431 69 R N 3.699 123.910 120.500 -0.482 0.000 2.460 69 R HA 0.598 4.937 4.340 -0.001 0.000 0.303 69 R C -1.565 174.420 176.300 -0.525 0.000 0.968 69 R CA -0.465 55.424 56.100 -0.351 0.000 0.889 69 R CB 1.844 32.137 30.300 -0.013 0.000 1.123 69 R HN 0.555 nan 8.270 nan 0.000 0.455 70 F N 3.457 123.501 119.950 0.155 0.000 2.359 70 F HA 0.328 4.854 4.527 -0.001 0.000 0.369 70 F C -1.585 174.217 175.800 0.003 0.000 1.084 70 F CA -2.412 55.632 58.000 0.074 0.000 1.096 70 F CB 1.593 40.618 39.000 0.042 0.000 1.335 70 F HN 0.353 nan 8.300 nan 0.000 0.457 71 P HA -0.178 nan 4.420 nan 0.000 0.219 71 P C 1.209 178.165 177.300 -0.575 0.000 1.146 71 P CA 1.447 64.421 63.100 -0.210 0.000 0.808 71 P CB 0.209 31.835 31.700 -0.125 0.000 0.779 72 Q N -0.963 118.646 119.800 -0.318 0.000 2.224 72 Q HA -0.084 4.255 4.340 -0.001 0.000 0.203 72 Q C 2.059 177.927 176.000 -0.220 0.000 0.970 72 Q CA 0.962 56.578 55.803 -0.312 0.000 0.865 72 Q CB -0.520 28.218 28.738 -0.000 0.000 0.922 72 Q HN 0.314 nan 8.270 nan 0.000 0.445 73 I N 0.281 120.734 120.570 -0.194 0.000 2.252 73 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 73 I C 2.006 177.988 176.117 -0.226 0.000 1.102 73 I CA 0.945 62.052 61.300 -0.322 0.000 1.385 73 I CB -0.224 37.509 38.000 -0.446 0.000 1.064 73 I HN 0.208 nan 8.210 nan 0.000 0.414 74 L N 0.078 121.181 121.223 -0.199 0.000 2.043 74 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 74 L C 2.591 179.442 176.870 -0.031 0.000 1.075 74 L CA 1.819 56.557 54.840 -0.170 0.000 0.752 74 L CB -1.112 40.788 42.059 -0.264 0.000 0.891 74 L HN 0.370 nan 8.230 nan 0.000 0.432 75 H N -1.016 118.047 119.070 -0.013 0.000 2.319 75 H HA -0.200 4.355 4.556 -0.001 0.000 0.299 75 H C 2.387 177.803 175.328 0.146 0.000 1.092 75 H CA 1.193 57.273 56.048 0.053 0.000 1.302 75 H CB -0.002 29.838 29.762 0.131 0.000 1.373 75 H HN 0.425 nan 8.280 nan 0.000 0.497 76 Q N 0.259 120.213 119.800 0.257 0.000 2.119 76 Q HA -0.104 4.235 4.340 -0.001 0.000 0.201 76 Q C 2.342 178.482 176.000 0.233 0.000 0.972 76 Q CA 0.669 56.641 55.803 0.282 0.000 0.847 76 Q CB 0.221 29.124 28.738 0.275 0.000 0.903 76 Q HN 0.360 nan 8.270 nan 0.000 0.433 77 R N 0.001 120.589 120.500 0.146 0.000 2.066 77 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 77 R C 2.329 178.692 176.300 0.105 0.000 1.131 77 R CA 0.883 57.062 56.100 0.132 0.000 0.955 77 R CB -1.174 29.179 30.300 0.090 0.000 0.851 77 R HN 0.157 nan 8.270 nan 0.000 0.432 78 V N 0.928 120.861 119.914 0.031 0.000 2.278 78 V HA -0.295 3.824 4.120 -0.001 0.000 0.251 78 V C 2.038 178.111 176.094 -0.035 0.000 1.062 78 V CA 2.198 64.472 62.300 -0.044 0.000 1.038 78 V CB -0.680 31.029 31.823 -0.190 0.000 0.646 78 V HN 0.401 nan 8.190 nan 0.000 0.447 79 H N -0.987 118.161 119.070 0.131 0.000 2.436 79 H HA -0.040 4.516 4.556 -0.001 0.000 0.294 79 H C 2.471 177.876 175.328 0.129 0.000 1.048 79 H CA 1.319 57.442 56.048 0.125 0.000 1.353 79 H CB 0.013 29.840 29.762 0.108 0.000 1.414 79 H HN 0.339 nan 8.280 nan 0.000 0.536 80 S N 0.014 115.850 115.700 0.227 0.000 2.371 80 S HA -0.078 4.392 4.470 -0.001 0.000 0.224 80 S C 2.121 176.819 174.600 0.163 0.000 1.029 80 S CA 0.875 59.177 58.200 0.170 0.000 0.978 80 S CB -0.029 63.260 63.200 0.147 0.000 0.833 80 S HN 0.289 nan 8.310 nan 0.000 0.466 81 I N 0.898 121.582 120.570 0.189 0.000 2.202 81 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 81 I C 2.276 178.558 176.117 0.275 0.000 1.091 81 I CA 0.762 62.206 61.300 0.239 0.000 1.368 81 I CB -0.434 37.730 38.000 0.275 0.000 1.058 81 I HN 0.343 nan 8.210 nan 0.000 0.410 82 C N 0.594 120.065 119.300 0.286 0.000 2.425 82 C HA -0.168 4.292 4.460 -0.001 0.000 0.277 82 C C 2.437 177.566 174.990 0.232 0.000 1.280 82 C CA 0.737 59.948 59.018 0.322 0.000 1.744 82 C CB -1.013 26.910 27.740 0.304 0.000 1.989 82 C HN 0.516 nan 8.230 nan 0.000 0.491 83 D N 0.800 121.315 120.400 0.191 0.000 2.144 83 D HA -0.065 4.574 4.640 -0.001 0.000 0.199 83 D C 2.287 178.638 176.300 0.085 0.000 0.984 83 D CA 1.606 55.689 54.000 0.137 0.000 0.834 83 D CB -0.420 40.453 40.800 0.121 0.000 0.955 83 D HN 0.501 nan 8.370 nan 0.000 0.465 84 A N 0.021 122.877 122.820 0.061 0.000 1.898 84 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 84 A C 2.061 179.549 177.584 -0.161 0.000 1.181 84 A CA 0.935 52.941 52.037 -0.052 0.000 0.620 84 A CB -0.930 18.022 19.000 -0.081 0.000 0.819 84 A HN 0.150 nan 8.150 nan 0.000 0.442 85 F N 0.688 120.509 119.950 -0.215 0.000 2.186 85 F HA -0.122 4.405 4.527 -0.001 0.000 0.299 85 F C 2.301 178.022 175.800 -0.133 0.000 1.090 85 F CA 1.329 59.141 58.000 -0.315 0.000 1.307 85 F CB -0.261 38.254 39.000 -0.807 0.000 1.019 85 F HN 0.202 nan 8.300 nan 0.000 0.489 86 N N 0.191 118.977 118.700 0.144 0.000 2.104 86 N HA -0.233 4.506 4.740 -0.001 0.000 0.190 86 N C 1.899 177.458 175.510 0.082 0.000 1.024 86 N CA 1.164 54.295 53.050 0.134 0.000 0.853 86 N CB -0.648 37.928 38.487 0.148 0.000 1.008 86 N HN 0.417 nan 8.380 nan 0.000 0.424 87 Q N 0.410 120.236 119.800 0.042 0.000 2.084 87 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 87 Q C 1.859 177.868 176.000 0.015 0.000 0.978 87 Q CA 1.593 57.411 55.803 0.024 0.000 0.844 87 Q CB -0.047 28.691 28.738 0.000 0.000 0.898 87 Q HN 0.370 nan 8.270 nan 0.000 0.426 88 A N 0.597 123.397 122.820 -0.033 0.000 1.898 88 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 88 A C 1.971 179.571 177.584 0.027 0.000 1.181 88 A CA 1.145 53.149 52.037 -0.055 0.000 0.620 88 A CB -0.589 18.291 19.000 -0.200 0.000 0.819 88 A HN 0.471 nan 8.150 nan 0.000 0.442 89 I N -0.697 119.906 120.570 0.055 0.000 2.226 89 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 89 I C 2.521 178.755 176.117 0.194 0.000 1.100 89 I CA 1.673 63.068 61.300 0.158 0.000 1.374 89 I CB -0.283 37.830 38.000 0.189 0.000 1.057 89 I HN 0.417 nan 8.210 nan 0.000 0.413 90 E N 0.436 120.715 120.200 0.132 0.000 2.107 90 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 90 E C 2.074 178.735 176.600 0.102 0.000 0.982 90 E CA 0.959 57.425 56.400 0.109 0.000 0.809 90 E CB 0.093 29.840 29.700 0.079 0.000 0.756 90 E HN 0.442 nan 8.360 nan 0.000 0.459 91 E N -0.458 119.802 120.200 0.100 0.000 2.106 91 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 91 E C 1.499 178.175 176.600 0.127 0.000 0.984 91 E CA 0.775 57.228 56.400 0.088 0.000 0.806 91 E CB -0.030 29.712 29.700 0.069 0.000 0.750 91 E HN 0.278 nan 8.360 nan 0.000 0.458 92 Y N 0.880 121.206 120.300 0.044 0.000 2.544 92 Y HA -0.052 4.498 4.550 -0.001 0.000 0.286 92 Y C 0.159 176.108 175.900 0.083 0.000 1.141 92 Y CA 0.590 58.729 58.100 0.064 0.000 1.299 92 Y CB 0.496 39.008 38.460 0.088 0.000 1.030 92 Y HN -0.119 nan 8.280 nan 0.000 0.543 93 Q N -0.389 119.505 119.800 0.157 0.000 2.463 93 Q HA -0.322 4.017 4.340 -0.001 0.000 0.299 93 Q C -1.068 175.058 176.000 0.211 0.000 1.353 93 Q CA 0.897 56.767 55.803 0.112 0.000 0.828 93 Q CB -2.536 26.200 28.738 -0.003 0.000 1.157 93 Q HN 0.696 nan 8.270 nan 0.000 0.436 94 Y N 1.955 122.396 120.300 0.234 0.000 2.359 94 Y HA 0.258 4.808 4.550 -0.001 0.000 0.330 94 Y C -1.376 174.602 175.900 0.129 0.000 1.143 94 Y CA -1.479 56.774 58.100 0.256 0.000 1.318 94 Y CB 1.015 39.593 38.460 0.197 0.000 1.234 94 Y HN 0.016 nan 8.280 nan 0.000 0.522 95 P HA 0.192 nan 4.420 nan 0.000 0.248 95 P C -1.109 176.104 177.300 -0.146 0.000 1.708 95 P CA 0.285 63.296 63.100 -0.147 0.000 1.062 95 P CB 0.208 31.811 31.700 -0.161 0.000 1.562 96 N N -0.137 118.532 118.700 -0.051 0.000 3.277 96 N HA 0.315 5.054 4.740 -0.001 0.000 0.278 96 N C -1.014 174.648 175.510 0.253 0.000 1.544 96 N CA -0.470 52.617 53.050 0.062 0.000 0.869 96 N CB 1.632 40.116 38.487 -0.005 0.000 1.584 96 N HN -0.244 nan 8.380 nan 0.000 0.564 97 K N -0.047 120.469 120.400 0.194 0.000 2.211 97 K HA 0.337 4.656 4.320 -0.001 0.000 0.237 97 K C -1.151 175.570 176.600 0.203 0.000 1.002 97 K CA -0.592 55.808 56.287 0.187 0.000 0.885 97 K CB 1.442 34.008 32.500 0.111 0.000 1.136 97 K HN 0.438 nan 8.250 nan 0.000 0.448 98 Y N 1.562 121.895 120.300 0.054 0.000 2.341 98 Y HA 0.458 5.007 4.550 -0.001 0.000 0.337 98 Y C -1.449 174.424 175.900 -0.044 0.000 1.014 98 Y CA -1.173 56.895 58.100 -0.054 0.000 1.111 98 Y CB 0.892 39.294 38.460 -0.097 0.000 1.194 98 Y HN 0.386 nan 8.280 nan 0.000 0.462 99 L N 7.684 128.398 121.223 -0.848 0.000 2.356 99 L HA 0.521 4.861 4.340 -0.001 0.000 0.277 99 L C -1.863 174.349 176.870 -1.095 0.000 0.996 99 L CA -0.827 53.583 54.840 -0.717 0.000 0.822 99 L CB 1.316 43.213 42.059 -0.269 0.000 1.256 99 L HN 0.742 nan 8.230 nan 0.000 0.413 100 L N 6.123 126.896 121.223 -0.750 0.000 2.331 100 L HA 0.614 4.953 4.340 -0.001 0.000 0.278 100 L C -0.913 175.850 176.870 -0.178 0.000 1.106 100 L CA 0.247 54.875 54.840 -0.352 0.000 0.824 100 L CB 1.308 43.341 42.059 -0.044 0.000 1.142 100 L HN 0.468 nan 8.230 nan 0.000 0.443 101 V N 5.783 125.636 119.914 -0.102 0.000 2.577 101 V HA 0.249 4.368 4.120 -0.001 0.000 0.303 101 V C -1.224 174.897 176.094 0.044 0.000 1.042 101 V CA -0.690 61.581 62.300 -0.048 0.000 0.872 101 V CB 1.443 33.201 31.823 -0.108 0.000 0.998 101 V HN 0.617 nan 8.190 nan 0.000 0.423 102 Y N 8.586 128.851 120.300 -0.058 0.000 2.367 102 Y HA 0.552 5.101 4.550 -0.001 0.000 0.342 102 Y C -2.300 173.570 175.900 -0.050 0.000 0.979 102 Y CA -2.963 55.111 58.100 -0.043 0.000 1.161 102 Y CB 1.673 40.109 38.460 -0.040 0.000 1.155 102 Y HN 0.423 nan 8.280 nan 0.000 0.503 103 P HA 0.112 nan 4.420 nan 0.000 0.282 103 P C 0.824 177.575 177.300 -0.915 0.000 1.274 103 P CA -0.022 62.745 63.100 -0.554 0.000 0.770 103 P CB 0.936 32.437 31.700 -0.331 0.000 0.867 104 I N 1.533 121.735 120.570 -0.614 0.000 2.916 104 I HA -0.128 4.041 4.170 -0.001 0.000 0.267 104 I C 1.887 177.830 176.117 -0.289 0.000 1.263 104 I CA 0.877 61.892 61.300 -0.474 0.000 1.471 104 I CB -0.479 37.414 38.000 -0.178 0.000 1.089 104 I HN 0.198 nan 8.210 nan 0.000 0.468 105 K N 1.575 121.830 120.400 -0.242 0.000 2.152 105 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 105 K C 1.917 178.415 176.600 -0.170 0.000 1.048 105 K CA 1.648 57.867 56.287 -0.113 0.000 0.933 105 K CB -0.024 32.466 32.500 -0.017 0.000 0.721 105 K HN 0.394 nan 8.250 nan 0.000 0.447 106 V N 1.046 120.739 119.914 -0.367 0.000 2.343 106 V HA -0.140 3.979 4.120 -0.001 0.000 0.247 106 V C 0.942 176.853 176.094 -0.305 0.000 1.051 106 V CA 1.265 63.169 62.300 -0.661 0.000 1.036 106 V CB -0.440 31.089 31.823 -0.491 0.000 0.654 106 V HN 0.423 nan 8.190 nan 0.000 0.451 107 N N -0.811 117.859 118.700 -0.051 0.000 2.697 107 N HA 0.183 4.923 4.740 -0.001 0.000 0.271 107 N C -0.149 175.428 175.510 0.111 0.000 1.149 107 N CA -0.229 52.862 53.050 0.070 0.000 0.939 107 N CB 1.882 40.454 38.487 0.141 0.000 1.534 107 N HN 0.086 nan 8.380 nan 0.000 0.556 108 Q N 0.341 120.173 119.800 0.053 0.000 2.403 108 Q HA 0.197 4.536 4.340 -0.001 0.000 0.203 108 Q C -0.056 175.966 176.000 0.037 0.000 0.932 108 Q CA 0.353 56.182 55.803 0.042 0.000 0.945 108 Q CB 0.340 29.082 28.738 0.007 0.000 1.045 108 Q HN 0.493 nan 8.270 nan 0.000 0.511 109 Q N 0.786 120.607 119.800 0.035 0.000 2.286 109 Q HA -0.063 4.277 4.340 -0.001 0.000 0.290 109 Q C 0.781 176.765 176.000 -0.027 0.000 1.049 109 Q CA 0.368 56.173 55.803 0.003 0.000 0.923 109 Q CB 0.634 29.378 28.738 0.011 0.000 1.183 109 Q HN 0.317 nan 8.270 nan 0.000 0.383 110 R N 3.112 123.576 120.500 -0.060 0.000 2.091 110 R HA -0.174 4.166 4.340 -0.001 0.000 0.238 110 R C 1.572 177.789 176.300 -0.138 0.000 1.136 110 R CA 1.771 57.819 56.100 -0.086 0.000 0.959 110 R CB 0.198 30.434 30.300 -0.107 0.000 0.856 110 R HN 0.665 nan 8.270 nan 0.000 0.437 111 E N 0.242 120.324 120.200 -0.196 0.000 2.268 111 E HA -0.103 4.247 4.350 -0.001 0.000 0.195 111 E C 1.825 178.346 176.600 -0.130 0.000 0.995 111 E CA 0.961 57.220 56.400 -0.235 0.000 0.836 111 E CB -0.286 29.210 29.700 -0.339 0.000 0.763 111 E HN 0.266 nan 8.360 nan 0.000 0.491 112 V N 1.190 121.039 119.914 -0.108 0.000 2.379 112 V HA -0.150 3.970 4.120 -0.001 0.000 0.243 112 V C 2.594 178.578 176.094 -0.185 0.000 1.035 112 V CA 1.212 63.410 62.300 -0.171 0.000 1.035 112 V CB -0.051 31.685 31.823 -0.145 0.000 0.673 112 V HN 0.111 nan 8.190 nan 0.000 0.457 113 V N 0.136 119.991 119.914 -0.099 0.000 2.515 113 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 113 V C 2.186 178.250 176.094 -0.050 0.000 1.058 113 V CA 1.849 64.112 62.300 -0.062 0.000 1.064 113 V CB -0.652 31.206 31.823 0.059 0.000 0.675 113 V HN 0.533 nan 8.190 nan 0.000 0.461 114 D N -0.196 120.175 120.400 -0.048 0.000 2.144 114 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 114 D C 2.297 178.596 176.300 -0.001 0.000 0.978 114 D CA 0.903 54.890 54.000 -0.022 0.000 0.833 114 D CB -0.042 40.726 40.800 -0.053 0.000 0.961 114 D HN 0.404 nan 8.370 nan 0.000 0.470 115 E N 0.361 120.556 120.200 -0.009 0.000 2.072 115 E HA -0.040 4.310 4.350 -0.001 0.000 0.190 115 E C 2.505 179.138 176.600 0.054 0.000 0.982 115 E CA 0.117 56.568 56.400 0.086 0.000 0.803 115 E CB -0.148 29.596 29.700 0.074 0.000 0.755 115 E HN 0.363 nan 8.360 nan 0.000 0.453 116 I N 1.263 121.779 120.570 -0.089 0.000 2.118 116 I HA -0.315 3.855 4.170 -0.001 0.000 0.241 116 I C 2.500 178.580 176.117 -0.062 0.000 1.070 116 I CA 1.083 62.299 61.300 -0.140 0.000 1.327 116 I CB -0.357 37.415 38.000 -0.379 0.000 1.034 116 I HN 0.045 nan 8.210 nan 0.000 0.405 117 L N 0.374 121.584 121.223 -0.022 0.000 2.013 117 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 117 L C 2.831 179.721 176.870 0.033 0.000 1.073 117 L CA 1.529 56.389 54.840 0.034 0.000 0.753 117 L CB -0.893 41.232 42.059 0.110 0.000 0.890 117 L HN 0.290 nan 8.230 nan 0.000 0.432 118 A N -0.211 122.620 122.820 0.020 0.000 1.978 118 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 118 A C 2.457 179.997 177.584 -0.072 0.000 1.170 118 A CA 2.169 54.196 52.037 -0.015 0.000 0.636 118 A CB -0.489 18.492 19.000 -0.030 0.000 0.810 118 A HN 0.515 nan 8.150 nan 0.000 0.448 119 S N -0.443 115.200 115.700 -0.094 0.000 2.388 119 S HA -0.133 4.337 4.470 -0.001 0.000 0.223 119 S C 1.904 176.453 174.600 -0.085 0.000 1.034 119 S CA 0.931 59.061 58.200 -0.117 0.000 0.963 119 S CB -0.436 62.660 63.200 -0.174 0.000 0.827 119 S HN 0.675 nan 8.310 nan 0.000 0.481 120 Q N 1.137 120.892 119.800 -0.076 0.000 2.217 120 Q HA -0.140 4.199 4.340 -0.001 0.000 0.209 120 Q C 2.354 178.358 176.000 0.007 0.000 0.988 120 Q CA 1.470 57.250 55.803 -0.038 0.000 0.878 120 Q CB -0.455 28.269 28.738 -0.023 0.000 0.909 120 Q HN 0.701 nan 8.270 nan 0.000 0.424 121 A N 0.205 123.037 122.820 0.020 0.000 1.968 121 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 121 A C 1.852 179.466 177.584 0.050 0.000 1.169 121 A CA 0.834 52.894 52.037 0.039 0.000 0.638 121 A CB -0.056 18.973 19.000 0.049 0.000 0.812 121 A HN 0.183 nan 8.150 nan 0.000 0.446 122 Q N -0.387 119.451 119.800 0.063 0.000 2.436 122 Q HA 0.181 4.520 4.340 -0.001 0.000 0.209 122 Q C 0.464 176.554 176.000 0.149 0.000 0.965 122 Q CA 0.310 56.176 55.803 0.105 0.000 0.910 122 Q CB -0.482 28.339 28.738 0.138 0.000 0.980 122 Q HN 0.630 nan 8.270 nan 0.000 0.491 123 L N 1.131 122.437 121.223 0.137 0.000 2.453 123 L HA -0.010 4.329 4.340 -0.001 0.000 0.261 123 L C 1.697 178.628 176.870 0.101 0.000 1.179 123 L CA -0.207 54.718 54.840 0.143 0.000 0.813 123 L CB 0.796 42.917 42.059 0.104 0.000 1.110 123 L HN 0.184 nan 8.230 nan 0.000 0.466 124 E N -0.828 119.435 120.200 0.104 0.000 2.077 124 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 124 E C 1.525 178.167 176.600 0.070 0.000 0.989 124 E CA 1.603 58.053 56.400 0.082 0.000 0.800 124 E CB -0.507 29.243 29.700 0.083 0.000 0.746 124 E HN 0.856 nan 8.360 nan 0.000 0.452 125 T N -0.157 114.441 114.554 0.072 0.000 2.869 125 T HA -0.201 4.149 4.350 -0.001 0.000 0.270 125 T C 0.745 175.475 174.700 0.051 0.000 1.082 125 T CA 1.021 63.157 62.100 0.060 0.000 1.123 125 T CB -0.698 68.200 68.868 0.051 0.000 0.856 125 T HN 0.248 nan 8.240 nan 0.000 0.499 126 K N 0.639 121.070 120.400 0.051 0.000 3.311 126 K HA -0.187 4.132 4.320 -0.001 0.000 0.270 126 K C -0.349 176.273 176.600 0.036 0.000 0.927 126 K CA 0.443 56.757 56.287 0.044 0.000 0.706 126 K CB -1.201 31.324 32.500 0.043 0.000 1.418 126 K HN 0.513 nan 8.250 nan 0.000 0.459 127 Q N 1.226 121.043 119.800 0.028 0.000 2.320 127 Q HA 0.350 4.689 4.340 -0.001 0.000 0.268 127 Q C -1.257 174.745 176.000 0.003 0.000 1.023 127 Q CA -0.711 55.104 55.803 0.020 0.000 0.744 127 Q CB 1.077 29.828 28.738 0.022 0.000 1.246 127 Q HN 0.249 nan 8.270 nan 0.000 0.462 128 L N 2.398 123.624 121.223 0.006 0.000 2.410 128 L HA 0.652 4.991 4.340 -0.001 0.000 0.273 128 L C 0.700 177.563 176.870 -0.012 0.000 1.152 128 L CA 0.681 55.520 54.840 -0.003 0.000 0.855 128 L CB 1.213 43.266 42.059 -0.010 0.000 1.129 128 L HN 0.708 nan 8.230 nan 0.000 0.463 129 G N 4.944 113.734 108.800 -0.016 0.000 2.737 129 G HA2 0.672 4.631 3.960 -0.001 0.000 0.290 129 G HA3 0.672 4.631 3.960 -0.001 0.000 0.290 129 G C -1.334 173.565 174.900 -0.002 0.000 1.482 129 G CA -0.366 44.717 45.100 -0.028 0.000 1.017 129 G HN 0.408 nan 8.290 nan 0.000 0.529 130 L N 1.192 122.401 121.223 -0.023 0.000 2.371 130 L HA 0.709 5.048 4.340 -0.001 0.000 0.262 130 L C -0.700 176.129 176.870 -0.069 0.000 1.006 130 L CA -1.074 53.752 54.840 -0.024 0.000 0.818 130 L CB 2.874 44.919 42.059 -0.023 0.000 1.354 130 L HN 0.429 nan 8.230 nan 0.000 0.415 131 E N 1.634 121.770 120.200 -0.107 0.000 2.256 131 E HA 0.722 5.071 4.350 -0.001 0.000 0.268 131 E C -1.843 174.676 176.600 -0.136 0.000 0.877 131 E CA -0.585 55.743 56.400 -0.119 0.000 0.757 131 E CB 2.441 32.061 29.700 -0.134 0.000 1.183 131 E HN 0.670 nan 8.360 nan 0.000 0.418 132 A N 2.033 124.793 122.820 -0.100 0.000 2.350 132 A HA 0.704 5.023 4.320 -0.001 0.000 0.324 132 A C 0.424 177.971 177.584 -0.062 0.000 1.118 132 A CA -0.125 51.857 52.037 -0.092 0.000 0.783 132 A CB 1.423 20.372 19.000 -0.086 0.000 1.236 132 A HN 0.581 nan 8.150 nan 0.000 0.457 133 G N 0.197 108.960 108.800 -0.062 0.000 3.575 133 G HA2 0.471 4.430 3.960 -0.001 0.000 0.273 133 G HA3 0.471 4.430 3.960 -0.001 0.000 0.273 133 G C 0.116 175.032 174.900 0.026 0.000 1.053 133 G CA 0.698 45.777 45.100 -0.035 0.000 0.803 133 G HN 1.712 nan 8.290 nan 0.000 0.528 134 S N -1.850 113.843 115.700 -0.011 0.000 2.611 134 S HA 0.334 4.803 4.470 -0.001 0.000 0.270 134 S C 0.537 174.844 174.600 -0.488 0.000 1.131 134 S CA -0.450 57.719 58.200 -0.051 0.000 0.826 134 S CB 1.515 64.701 63.200 -0.023 0.000 1.095 134 S HN -0.012 nan 8.310 nan 0.000 0.461 135 K N 0.984 121.036 120.400 -0.580 0.000 2.000 135 K HA -0.072 4.248 4.320 -0.001 0.000 0.218 135 K C -0.927 175.440 176.600 -0.389 0.000 1.053 135 K CA 2.466 58.336 56.287 -0.695 0.000 0.946 135 K CB -1.321 31.016 32.500 -0.272 0.000 0.723 135 K HN 0.535 nan 8.250 nan 0.000 0.446 136 P HA -0.166 nan 4.420 nan 0.000 0.215 136 P C 0.571 177.782 177.300 -0.148 0.000 1.153 136 P CA 1.547 64.563 63.100 -0.139 0.000 0.853 136 P CB -0.119 31.533 31.700 -0.080 0.000 0.788 137 E N -0.723 119.380 120.200 -0.161 0.000 2.153 137 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 137 E C 1.989 178.492 176.600 -0.162 0.000 0.988 137 E CA 0.647 56.964 56.400 -0.138 0.000 0.811 137 E CB -0.649 28.981 29.700 -0.116 0.000 0.746 137 E HN 0.147 nan 8.360 nan 0.000 0.466 138 L N 0.995 122.067 121.223 -0.252 0.000 2.017 138 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 138 L C 2.103 178.887 176.870 -0.144 0.000 1.073 138 L CA 1.486 56.200 54.840 -0.210 0.000 0.745 138 L CB -0.327 41.555 42.059 -0.296 0.000 0.894 138 L HN 0.081 nan 8.230 nan 0.000 0.432 139 L N -0.473 120.664 121.223 -0.145 0.000 2.079 139 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 139 L C 2.661 179.491 176.870 -0.066 0.000 1.081 139 L CA 1.289 56.076 54.840 -0.088 0.000 0.752 139 L CB -0.841 41.169 42.059 -0.081 0.000 0.896 139 L HN 0.420 nan 8.230 nan 0.000 0.433 140 A N -0.775 122.001 122.820 -0.072 0.000 1.898 140 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 140 A C 2.323 179.879 177.584 -0.047 0.000 1.181 140 A CA 1.596 53.603 52.037 -0.049 0.000 0.620 140 A CB -0.731 18.240 19.000 -0.047 0.000 0.819 140 A HN 0.190 nan 8.150 nan 0.000 0.442 141 V N -0.058 119.814 119.914 -0.071 0.000 2.427 141 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 141 V C 2.520 178.556 176.094 -0.097 0.000 1.051 141 V CA 1.849 64.102 62.300 -0.078 0.000 1.048 141 V CB -0.594 31.168 31.823 -0.103 0.000 0.666 141 V HN 0.566 nan 8.190 nan 0.000 0.456 142 L N -0.161 121.004 121.223 -0.095 0.000 2.093 142 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 142 L C 2.672 179.540 176.870 -0.003 0.000 1.085 142 L CA 1.344 56.137 54.840 -0.079 0.000 0.755 142 L CB -0.712 41.327 42.059 -0.033 0.000 0.904 142 L HN 0.338 nan 8.230 nan 0.000 0.435 143 A N -0.187 122.632 122.820 -0.001 0.000 1.902 143 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 143 A C 2.225 179.840 177.584 0.052 0.000 1.181 143 A CA 1.669 53.721 52.037 0.025 0.000 0.623 143 A CB -0.406 18.600 19.000 0.010 0.000 0.818 143 A HN 0.384 nan 8.150 nan 0.000 0.443 144 M N -1.090 118.532 119.600 0.038 0.000 2.556 144 M HA 0.126 4.605 4.480 -0.001 0.000 0.245 144 M C 1.363 177.744 176.300 0.135 0.000 1.128 144 M CA 0.789 56.135 55.300 0.076 0.000 1.069 144 M CB 0.190 32.817 32.600 0.045 0.000 1.469 144 M HN 0.412 nan 8.290 nan 0.000 0.494 145 A N -0.603 122.247 122.820 0.050 0.000 2.637 145 A HA 0.178 4.498 4.320 -0.001 0.000 0.293 145 A C 1.420 179.038 177.584 0.056 0.000 1.216 145 A CA -0.310 51.705 52.037 -0.038 0.000 0.956 145 A CB -0.105 18.806 19.000 -0.148 0.000 1.174 145 A HN 0.372 nan 8.150 nan 0.000 0.525 146 Q N 0.051 119.939 119.800 0.147 0.000 2.226 146 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 146 Q C 1.866 177.932 176.000 0.109 0.000 0.975 146 Q CA 1.771 57.663 55.803 0.148 0.000 0.866 146 Q CB -0.140 28.677 28.738 0.133 0.000 0.915 146 Q HN 0.996 nan 8.270 nan 0.000 0.440 147 H N -1.867 117.241 119.070 0.062 0.000 2.403 147 H HA 0.263 4.819 4.556 -0.001 0.000 0.298 147 H C 0.238 175.585 175.328 0.033 0.000 1.059 147 H CA 0.938 57.009 56.048 0.038 0.000 1.363 147 H CB 0.097 29.878 29.762 0.032 0.000 1.410 147 H HN 0.132 nan 8.280 nan 0.000 0.528 148 A N 0.573 123.197 122.820 -0.326 0.000 2.539 148 A HA 0.418 4.737 4.320 -0.001 0.000 0.296 148 A C -0.484 177.037 177.584 -0.105 0.000 1.073 148 A CA -0.309 51.624 52.037 -0.174 0.000 0.700 148 A CB 1.556 20.475 19.000 -0.136 0.000 1.296 148 A HN 0.260 nan 8.150 nan 0.000 0.405 149 S N 0.441 116.089 115.700 -0.087 0.000 2.546 149 S HA 0.428 4.897 4.470 -0.001 0.000 0.290 149 S C 0.281 174.935 174.600 0.089 0.000 1.290 149 S CA 0.799 58.977 58.200 -0.036 0.000 1.069 149 S CB -0.059 63.103 63.200 -0.063 0.000 0.846 149 S HN 1.584 nan 8.310 nan 0.000 0.495 150 S N 3.514 119.376 115.700 0.270 0.000 2.546 150 S HA 0.535 5.004 4.470 -0.001 0.000 0.274 150 S C -0.974 173.666 174.600 0.068 0.000 1.121 150 S CA -0.788 57.480 58.200 0.113 0.000 0.887 150 S CB 1.323 64.529 63.200 0.009 0.000 1.094 150 S HN 0.576 nan 8.310 nan 0.000 0.474 151 V N 4.869 124.802 119.914 0.033 0.000 2.521 151 V HA 0.369 4.488 4.120 -0.001 0.000 0.286 151 V C -0.176 175.920 176.094 0.004 0.000 1.034 151 V CA 0.196 62.528 62.300 0.053 0.000 1.045 151 V CB 0.392 32.249 31.823 0.056 0.000 0.974 151 V HN 0.695 nan 8.190 nan 0.000 0.480 152 I N 5.616 126.194 120.570 0.013 0.000 2.439 152 I HA 0.369 4.538 4.170 -0.001 0.000 0.285 152 I C -0.588 175.562 176.117 0.055 0.000 1.021 152 I CA -0.615 60.665 61.300 -0.033 0.000 1.091 152 I CB 2.033 39.959 38.000 -0.124 0.000 1.242 152 I HN 0.265 nan 8.210 nan 0.000 0.439 153 V N 5.546 125.473 119.914 0.020 0.000 2.394 153 V HA 0.269 4.389 4.120 -0.001 0.000 0.282 153 V C -0.196 175.874 176.094 -0.040 0.000 1.031 153 V CA -0.428 61.880 62.300 0.014 0.000 0.881 153 V CB 1.431 33.216 31.823 -0.064 0.000 0.982 153 V HN 0.774 nan 8.190 nan 0.000 0.451 154 C N 6.029 125.304 119.300 -0.040 0.000 2.264 154 C HA 0.544 5.003 4.460 -0.001 0.000 0.324 154 C C 0.424 175.315 174.990 -0.165 0.000 1.267 154 C CA -0.917 58.083 59.018 -0.030 0.000 1.618 154 C CB -0.617 27.123 27.740 -0.000 0.000 2.278 154 C HN 0.871 nan 8.230 nan 0.000 0.499 155 N N 0.985 119.583 118.700 -0.170 0.000 2.531 155 N HA 0.781 5.521 4.740 -0.001 0.000 0.290 155 N C 0.174 175.503 175.510 -0.301 0.000 1.257 155 N CA 0.429 53.281 53.050 -0.329 0.000 0.863 155 N CB 2.022 40.300 38.487 -0.347 0.000 1.320 155 N HN 1.033 nan 8.380 nan 0.000 0.538 156 G N -0.363 108.060 108.800 -0.629 0.000 2.549 156 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.404 156 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.404 156 G C -1.459 173.166 174.900 -0.458 0.000 1.292 156 G CA -0.835 43.915 45.100 -0.584 0.000 0.935 156 G HN 0.473 nan 8.290 nan 0.000 0.512 157 Y N 1.781 122.049 120.300 -0.053 0.000 2.436 157 Y HA 0.514 5.064 4.550 -0.001 0.000 0.336 157 Y C 0.952 176.881 175.900 0.049 0.000 1.049 157 Y CA 0.383 58.533 58.100 0.082 0.000 1.294 157 Y CB 0.565 39.154 38.460 0.215 0.000 1.179 157 Y HN 0.356 nan 8.280 nan 0.000 0.520 158 K N 6.239 126.423 120.400 -0.361 0.000 2.292 158 K HA 0.151 4.471 4.320 -0.001 0.000 0.270 158 K C -0.697 175.850 176.600 -0.087 0.000 1.062 158 K CA -0.841 55.258 56.287 -0.313 0.000 0.916 158 K CB 0.521 32.663 32.500 -0.597 0.000 1.166 158 K HN 0.667 nan 8.250 nan 0.000 0.458 159 D N 1.286 121.785 120.400 0.164 0.000 2.478 159 D HA 0.062 4.702 4.640 -0.001 0.000 0.269 159 D C 0.980 177.331 176.300 0.086 0.000 1.232 159 D CA -0.593 53.500 54.000 0.156 0.000 1.059 159 D CB 0.735 41.655 40.800 0.200 0.000 1.104 159 D HN 0.270 nan 8.370 nan 0.000 0.566 160 R N -0.434 120.109 120.500 0.071 0.000 2.083 160 R HA -0.218 4.122 4.340 -0.001 0.000 0.237 160 R C 2.058 178.397 176.300 0.065 0.000 1.137 160 R CA 2.060 58.189 56.100 0.047 0.000 0.951 160 R CB -0.207 30.118 30.300 0.041 0.000 0.851 160 R HN 0.723 nan 8.270 nan 0.000 0.434 161 E N -0.736 119.515 120.200 0.085 0.000 2.106 161 E HA -0.248 4.101 4.350 -0.001 0.000 0.192 161 E C 1.797 178.478 176.600 0.136 0.000 0.984 161 E CA 1.149 57.599 56.400 0.083 0.000 0.806 161 E CB -0.283 29.456 29.700 0.065 0.000 0.750 161 E HN 0.579 nan 8.360 nan 0.000 0.458 162 Y N 0.479 120.781 120.300 0.003 0.000 2.181 162 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 162 Y C 2.004 177.887 175.900 -0.029 0.000 1.146 162 Y CA 0.738 58.831 58.100 -0.012 0.000 1.164 162 Y CB 0.151 38.607 38.460 -0.008 0.000 0.982 162 Y HN 0.111 nan 8.280 nan 0.000 0.515 163 I N 0.752 121.382 120.570 0.100 0.000 2.252 163 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 163 I C 2.324 178.459 176.117 0.030 0.000 1.102 163 I CA 1.527 62.819 61.300 -0.014 0.000 1.385 163 I CB -1.139 36.821 38.000 -0.067 0.000 1.064 163 I HN 0.326 nan 8.210 nan 0.000 0.414 164 R N 0.415 120.941 120.500 0.044 0.000 2.092 164 R HA -0.086 4.253 4.340 -0.001 0.000 0.231 164 R C 2.373 178.696 176.300 0.039 0.000 1.119 164 R CA 0.966 57.085 56.100 0.031 0.000 0.970 164 R CB -0.288 30.029 30.300 0.027 0.000 0.864 164 R HN 0.323 nan 8.270 nan 0.000 0.440 165 L N 0.155 121.417 121.223 0.065 0.000 2.093 165 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 165 L C 2.677 179.580 176.870 0.055 0.000 1.085 165 L CA 1.180 56.051 54.840 0.052 0.000 0.755 165 L CB -0.536 41.548 42.059 0.042 0.000 0.904 165 L HN 0.226 nan 8.230 nan 0.000 0.435 166 A N 0.107 122.981 122.820 0.089 0.000 1.902 166 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 166 A C 2.223 179.814 177.584 0.011 0.000 1.181 166 A CA 1.414 53.488 52.037 0.062 0.000 0.623 166 A CB -0.650 18.392 19.000 0.071 0.000 0.818 166 A HN 0.363 nan 8.150 nan 0.000 0.443 167 L N -0.712 120.513 121.223 0.003 0.000 2.156 167 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 167 L C 2.357 179.223 176.870 -0.005 0.000 1.095 167 L CA 0.808 55.640 54.840 -0.014 0.000 0.770 167 L CB -0.421 41.628 42.059 -0.016 0.000 0.914 167 L HN 0.349 nan 8.230 nan 0.000 0.439 168 I N -0.112 120.463 120.570 0.008 0.000 2.226 168 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 168 I C 2.621 178.750 176.117 0.020 0.000 1.100 168 I CA 1.403 62.709 61.300 0.010 0.000 1.374 168 I CB -0.785 37.223 38.000 0.015 0.000 1.057 168 I HN 0.276 nan 8.210 nan 0.000 0.413 169 G N 0.331 109.154 108.800 0.038 0.000 2.440 169 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.218 169 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.218 169 G C 1.514 176.453 174.900 0.066 0.000 1.154 169 G CA 1.170 46.324 45.100 0.091 0.000 0.767 169 G HN 0.381 nan 8.290 nan 0.000 0.552 170 E N 0.479 120.682 120.200 0.005 0.000 2.047 170 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 170 E C 2.331 178.908 176.600 -0.039 0.000 0.987 170 E CA 1.356 57.735 56.400 -0.035 0.000 0.799 170 E CB -0.270 29.386 29.700 -0.073 0.000 0.752 170 E HN 0.397 nan 8.360 nan 0.000 0.449 171 K N -0.141 120.241 120.400 -0.030 0.000 2.089 171 K HA -0.160 4.160 4.320 -0.001 0.000 0.210 171 K C 1.752 178.326 176.600 -0.043 0.000 1.048 171 K CA 1.719 57.987 56.287 -0.031 0.000 0.926 171 K CB -0.228 32.260 32.500 -0.020 0.000 0.714 171 K HN 0.226 nan 8.250 nan 0.000 0.448 172 L N -0.995 120.201 121.223 -0.045 0.000 2.599 172 L HA 0.086 4.426 4.340 -0.001 0.000 0.230 172 L C 1.148 177.920 176.870 -0.164 0.000 1.141 172 L CA 0.501 55.294 54.840 -0.080 0.000 0.877 172 L CB 0.330 42.354 42.059 -0.057 0.000 1.009 172 L HN 0.627 nan 8.230 nan 0.000 0.447 173 G N -1.558 107.150 108.800 -0.154 0.000 2.192 173 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.193 173 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.193 173 G C 0.085 174.851 174.900 -0.222 0.000 0.999 173 G CA -0.519 44.469 45.100 -0.186 0.000 0.659 173 G HN 0.450 nan 8.290 nan 0.000 0.503 174 H N 0.702 119.730 119.070 -0.070 0.000 2.690 174 H HA 0.506 5.061 4.556 -0.001 0.000 0.365 174 H C 0.438 175.691 175.328 -0.126 0.000 1.142 174 H CA 0.242 56.239 56.048 -0.086 0.000 1.417 174 H CB 0.672 30.386 29.762 -0.080 0.000 1.446 174 H HN 0.064 nan 8.280 nan 0.000 0.599 175 K N 2.145 122.542 120.400 -0.005 0.000 2.219 175 K HA 0.207 4.526 4.320 -0.001 0.000 0.280 175 K C -1.120 175.265 176.600 -0.360 0.000 1.104 175 K CA -0.298 55.856 56.287 -0.222 0.000 0.925 175 K CB 0.521 32.921 32.500 -0.166 0.000 1.261 175 K HN 0.222 nan 8.250 nan 0.000 0.445 176 V N 4.831 124.513 119.914 -0.386 0.000 2.350 176 V HA 0.315 4.434 4.120 -0.001 0.000 0.276 176 V C -0.469 175.376 176.094 -0.416 0.000 1.028 176 V CA -0.771 61.365 62.300 -0.274 0.000 0.860 176 V CB 0.257 32.001 31.823 -0.132 0.000 0.990 176 V HN 0.457 nan 8.190 nan 0.000 0.453 177 F N 5.054 124.947 119.950 -0.095 0.000 2.385 177 F HA 0.555 5.081 4.527 -0.001 0.000 0.360 177 F C 0.345 176.074 175.800 -0.118 0.000 1.122 177 F CA -0.503 57.434 58.000 -0.105 0.000 1.090 177 F CB 1.076 39.993 39.000 -0.137 0.000 1.150 177 F HN 0.282 nan 8.300 nan 0.000 0.472 178 I N 4.562 125.146 120.570 0.023 0.000 2.297 178 I HA 0.224 4.394 4.170 -0.001 0.000 0.291 178 I C -0.586 175.482 176.117 -0.081 0.000 1.033 178 I CA -0.666 60.589 61.300 -0.075 0.000 1.253 178 I CB 0.974 38.904 38.000 -0.115 0.000 1.396 178 I HN 0.216 nan 8.210 nan 0.000 0.476 179 V N 7.918 127.741 119.914 -0.152 0.000 2.385 179 V HA 0.201 4.321 4.120 -0.001 0.000 0.269 179 V C 0.399 176.374 176.094 -0.199 0.000 1.043 179 V CA -0.536 61.659 62.300 -0.174 0.000 0.906 179 V CB 0.974 32.614 31.823 -0.305 0.000 0.995 179 V HN 0.479 nan 8.190 nan 0.000 0.467 180 L N 5.423 126.571 121.223 -0.125 0.000 2.500 180 L HA 0.220 4.559 4.340 -0.001 0.000 0.272 180 L C 1.013 177.821 176.870 -0.104 0.000 1.149 180 L CA 0.441 55.211 54.840 -0.116 0.000 0.897 180 L CB 0.170 42.196 42.059 -0.056 0.000 1.178 180 L HN 0.694 nan 8.230 nan 0.000 0.473 181 E N 2.027 122.149 120.200 -0.130 0.000 2.539 181 E HA 0.154 4.504 4.350 -0.001 0.000 0.215 181 E C -0.134 176.502 176.600 0.060 0.000 0.965 181 E CA -0.039 56.337 56.400 -0.039 0.000 1.019 181 E CB 0.939 30.535 29.700 -0.174 0.000 1.059 181 E HN 0.400 nan 8.360 nan 0.000 0.496 182 K N 0.318 120.708 120.400 -0.017 0.000 2.498 182 K HA 0.246 4.565 4.320 -0.001 0.000 0.254 182 K C 0.146 176.732 176.600 -0.023 0.000 0.933 182 K CA -0.405 55.883 56.287 0.003 0.000 0.806 182 K CB 1.460 33.931 32.500 -0.048 0.000 1.301 182 K HN -0.140 nan 8.250 nan 0.000 0.432 183 M N 2.206 121.809 119.600 0.005 0.000 2.117 183 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 183 M C 1.539 177.833 176.300 -0.010 0.000 1.065 183 M CA 2.479 57.783 55.300 0.007 0.000 1.114 183 M CB -0.203 32.413 32.600 0.026 0.000 1.361 183 M HN 0.699 nan 8.290 nan 0.000 0.408 184 S N 0.069 115.760 115.700 -0.015 0.000 2.469 184 S HA -0.212 4.257 4.470 -0.001 0.000 0.238 184 S C 1.664 176.234 174.600 -0.051 0.000 0.998 184 S CA 1.270 59.458 58.200 -0.021 0.000 0.957 184 S CB -1.120 62.075 63.200 -0.008 0.000 0.764 184 S HN 0.811 nan 8.310 nan 0.000 0.514 185 E N 1.027 121.174 120.200 -0.087 0.000 2.274 185 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 185 E C 2.002 178.550 176.600 -0.086 0.000 0.996 185 E CA 0.758 57.086 56.400 -0.121 0.000 0.840 185 E CB -0.440 29.137 29.700 -0.205 0.000 0.772 185 E HN 0.522 nan 8.360 nan 0.000 0.491 186 L N 2.330 123.519 121.223 -0.056 0.000 1.994 186 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 186 L C 2.006 178.858 176.870 -0.030 0.000 1.071 186 L CA 2.540 57.358 54.840 -0.037 0.000 0.745 186 L CB -0.758 41.291 42.059 -0.016 0.000 0.892 186 L HN 0.079 nan 8.230 nan 0.000 0.431 187 D N -1.191 119.195 120.400 -0.023 0.000 2.182 187 D HA -0.220 4.420 4.640 -0.001 0.000 0.201 187 D C 2.073 178.361 176.300 -0.021 0.000 0.986 187 D CA 1.201 55.192 54.000 -0.015 0.000 0.847 187 D CB -0.075 40.720 40.800 -0.008 0.000 0.942 187 D HN 0.339 nan 8.370 nan 0.000 0.467 188 L N -0.389 120.814 121.223 -0.033 0.000 2.072 188 L HA -0.017 4.322 4.340 -0.001 0.000 0.205 188 L C 2.146 178.993 176.870 -0.040 0.000 1.079 188 L CA 1.159 55.978 54.840 -0.035 0.000 0.752 188 L CB -0.488 41.541 42.059 -0.050 0.000 0.906 188 L HN -0.030 nan 8.230 nan 0.000 0.436 189 V N -0.182 119.700 119.914 -0.053 0.000 2.295 189 V HA -0.300 3.819 4.120 -0.001 0.000 0.246 189 V C 2.571 178.645 176.094 -0.033 0.000 1.049 189 V CA 2.035 64.303 62.300 -0.053 0.000 1.024 189 V CB -0.589 31.195 31.823 -0.064 0.000 0.648 189 V HN 0.422 nan 8.190 nan 0.000 0.447 190 L N -0.752 120.456 121.223 -0.025 0.000 2.046 190 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 190 L C 2.758 179.620 176.870 -0.012 0.000 1.077 190 L CA 1.665 56.496 54.840 -0.015 0.000 0.747 190 L CB -0.581 41.473 42.059 -0.009 0.000 0.896 190 L HN 0.214 nan 8.230 nan 0.000 0.432 191 R N -0.369 120.124 120.500 -0.012 0.000 2.075 191 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 191 R C 2.263 178.558 176.300 -0.008 0.000 1.126 191 R CA 0.978 57.073 56.100 -0.008 0.000 0.963 191 R CB 0.007 30.303 30.300 -0.006 0.000 0.858 191 R HN 0.250 nan 8.270 nan 0.000 0.435 192 E N 0.046 120.238 120.200 -0.012 0.000 2.208 192 E HA -0.061 4.289 4.350 -0.001 0.000 0.193 192 E C 1.751 178.344 176.600 -0.011 0.000 0.988 192 E CA 0.994 57.388 56.400 -0.010 0.000 0.828 192 E CB -0.009 29.684 29.700 -0.012 0.000 0.763 192 E HN 0.324 nan 8.360 nan 0.000 0.478 193 A N 1.268 124.079 122.820 -0.016 0.000 1.897 193 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 193 A C 2.158 179.735 177.584 -0.012 0.000 1.181 193 A CA 1.699 53.727 52.037 -0.016 0.000 0.620 193 A CB -0.275 18.713 19.000 -0.020 0.000 0.821 193 A HN 0.133 nan 8.150 nan 0.000 0.443 194 K N -0.009 120.386 120.400 -0.009 0.000 2.032 194 K HA -0.137 4.182 4.320 -0.001 0.000 0.209 194 K C 2.290 178.887 176.600 -0.005 0.000 1.048 194 K CA 1.781 58.065 56.287 -0.006 0.000 0.927 194 K CB -0.351 32.146 32.500 -0.004 0.000 0.712 194 K HN 0.368 nan 8.250 nan 0.000 0.441 195 S N -0.289 115.409 115.700 -0.004 0.000 2.399 195 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 195 S C 1.553 176.151 174.600 -0.003 0.000 1.022 195 S CA 1.004 59.202 58.200 -0.002 0.000 0.983 195 S CB -0.113 63.086 63.200 -0.001 0.000 0.803 195 S HN 0.375 nan 8.310 nan 0.000 0.480 196 L N 0.679 121.899 121.223 -0.005 0.000 2.592 196 L HA 0.299 4.639 4.340 -0.001 0.000 0.227 196 L C 1.353 178.219 176.870 -0.008 0.000 1.127 196 L CA 0.284 55.121 54.840 -0.006 0.000 0.884 196 L CB -0.289 41.767 42.059 -0.006 0.000 1.065 196 L HN 0.479 nan 8.230 nan 0.000 0.457 197 G N 1.265 110.060 108.800 -0.008 0.000 2.366 197 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.299 197 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.299 197 G C -0.192 174.701 174.900 -0.013 0.000 1.020 197 G CA 0.235 45.330 45.100 -0.009 0.000 1.026 197 G HN 0.136 nan 8.290 nan 0.000 0.512 198 V N -0.099 119.805 119.914 -0.015 0.000 2.715 198 V HA 0.622 4.741 4.120 -0.001 0.000 0.310 198 V C 0.716 176.797 176.094 -0.023 0.000 1.054 198 V CA -0.442 61.845 62.300 -0.022 0.000 0.928 198 V CB 2.179 33.986 31.823 -0.026 0.000 1.007 198 V HN 0.345 nan 8.190 nan 0.000 0.437 199 T N 6.383 120.921 114.554 -0.026 0.000 2.739 199 T HA 0.298 4.648 4.350 -0.001 0.000 0.298 199 T C -2.240 172.437 174.700 -0.039 0.000 0.929 199 T CA -0.647 61.438 62.100 -0.025 0.000 1.014 199 T CB 0.625 69.482 68.868 -0.019 0.000 0.914 199 T HN 0.524 nan 8.240 nan 0.000 0.509 200 P HA 0.290 nan 4.420 nan 0.000 0.274 200 P C -0.515 176.753 177.300 -0.053 0.000 1.231 200 P CA -0.674 62.396 63.100 -0.050 0.000 0.790 200 P CB 1.058 32.736 31.700 -0.037 0.000 0.951 201 R N 1.569 122.010 120.500 -0.098 0.000 2.393 201 R HA 0.624 4.963 4.340 -0.001 0.000 0.310 201 R C -0.339 175.970 176.300 0.015 0.000 0.968 201 R CA -0.784 55.270 56.100 -0.076 0.000 0.867 201 R CB 1.082 31.178 30.300 -0.340 0.000 1.124 201 R HN 0.468 nan 8.270 nan 0.000 0.450 202 L N 1.537 122.829 121.223 0.115 0.000 2.365 202 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 202 L C 0.424 177.401 176.870 0.178 0.000 1.000 202 L CA -0.859 54.044 54.840 0.105 0.000 0.819 202 L CB 2.220 44.316 42.059 0.062 0.000 1.284 202 L HN 0.743 nan 8.230 nan 0.000 0.418 203 G N 2.464 111.333 108.800 0.116 0.000 2.568 203 G HA2 0.813 4.772 3.960 -0.001 0.000 0.313 203 G HA3 0.813 4.772 3.960 -0.001 0.000 0.313 203 G C -1.167 173.751 174.900 0.029 0.000 1.227 203 G CA -0.515 44.628 45.100 0.072 0.000 0.979 203 G HN 0.419 nan 8.290 nan 0.000 0.486 204 I N -0.099 120.495 120.570 0.039 0.000 2.545 204 I HA 0.406 4.575 4.170 -0.001 0.000 0.292 204 I C -0.057 176.077 176.117 0.028 0.000 1.040 204 I CA -0.835 60.481 61.300 0.027 0.000 1.068 204 I CB 2.575 40.611 38.000 0.060 0.000 1.251 204 I HN 0.408 nan 8.210 nan 0.000 0.424 205 R N 7.110 127.612 120.500 0.005 0.000 2.221 205 R HA 0.562 4.901 4.340 -0.001 0.000 0.327 205 R C -0.774 175.536 176.300 0.017 0.000 1.033 205 R CA -0.469 55.660 56.100 0.049 0.000 0.887 205 R CB 0.773 31.094 30.300 0.034 0.000 1.057 205 R HN 0.642 nan 8.270 nan 0.000 0.455 206 I N 0.959 121.503 120.570 -0.044 0.000 2.385 206 I HA 0.471 4.640 4.170 -0.001 0.000 0.294 206 I C -0.379 175.652 176.117 -0.143 0.000 0.988 206 I CA -1.015 60.139 61.300 -0.244 0.000 1.265 206 I CB 1.613 39.160 38.000 -0.754 0.000 1.388 206 I HN 0.488 nan 8.210 nan 0.000 0.480 207 R N 5.789 126.233 120.500 -0.093 0.000 2.390 207 R HA 0.609 4.948 4.340 -0.001 0.000 0.291 207 R C -0.920 175.393 176.300 0.022 0.000 1.070 207 R CA -0.551 55.561 56.100 0.019 0.000 1.014 207 R CB 1.168 31.534 30.300 0.111 0.000 1.007 207 R HN 0.616 nan 8.270 nan 0.000 0.466 208 L N 1.417 122.670 121.223 0.050 0.000 2.331 208 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 208 L C 0.768 177.733 176.870 0.158 0.000 1.022 208 L CA -0.444 54.434 54.840 0.064 0.000 0.812 208 L CB 1.897 43.936 42.059 -0.033 0.000 1.257 208 L HN 0.760 nan 8.230 nan 0.000 0.435 209 A N 0.328 123.253 122.820 0.176 0.000 2.303 209 A HA 0.028 4.348 4.320 -0.001 0.000 0.217 209 A C 1.570 179.224 177.584 0.117 0.000 1.205 209 A CA 0.564 52.719 52.037 0.196 0.000 0.875 209 A CB -0.073 19.016 19.000 0.148 0.000 0.910 209 A HN 0.737 nan 8.150 nan 0.000 0.501 210 S N -0.715 115.027 115.700 0.071 0.000 2.634 210 S HA 0.087 4.556 4.470 -0.001 0.000 0.221 210 S C 0.663 175.283 174.600 0.033 0.000 0.952 210 S CA -0.023 58.202 58.200 0.041 0.000 0.930 210 S CB 0.039 63.249 63.200 0.016 0.000 0.780 210 S HN 0.424 nan 8.310 nan 0.000 0.498 211 Q N 1.058 120.883 119.800 0.043 0.000 2.135 211 Q HA 0.433 4.772 4.340 -0.001 0.000 0.222 211 Q C 0.522 176.543 176.000 0.036 0.000 0.808 211 Q CA 0.290 56.111 55.803 0.031 0.000 1.049 211 Q CB 0.969 29.720 28.738 0.021 0.000 1.168 211 Q HN 0.662 nan 8.270 nan 0.000 0.483 212 G N 0.637 109.468 108.800 0.052 0.000 2.402 212 G HA2 0.191 4.151 3.960 -0.001 0.000 0.666 212 G HA3 0.191 4.151 3.960 -0.001 0.000 0.666 212 G C -0.881 174.064 174.900 0.075 0.000 1.402 212 G CA -0.621 44.508 45.100 0.049 0.000 0.920 212 G HN 0.250 nan 8.290 nan 0.000 0.651 213 A N 0.005 122.866 122.820 0.068 0.000 2.587 213 A HA 0.601 4.921 4.320 -0.001 0.000 0.235 213 A C 2.037 179.638 177.584 0.028 0.000 1.044 213 A CA 2.592 54.681 52.037 0.087 0.000 0.754 213 A CB -0.113 18.923 19.000 0.060 0.000 0.968 213 A HN 2.988 nan 8.150 nan 0.000 0.509 214 G N 1.904 110.706 108.800 0.004 0.000 2.253 214 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.251 214 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.251 214 G C 0.991 175.645 174.900 -0.410 0.000 0.998 214 G CA 0.824 45.760 45.100 -0.273 0.000 0.621 214 G HN 0.800 nan 8.290 nan 0.000 0.524 215 K N 0.198 120.499 120.400 -0.164 0.000 2.365 215 K HA 0.048 4.367 4.320 -0.001 0.000 0.199 215 K C 2.242 178.807 176.600 -0.059 0.000 1.045 215 K CA 1.205 57.435 56.287 -0.096 0.000 0.962 215 K CB -0.253 32.250 32.500 0.005 0.000 0.759 215 K HN 0.800 nan 8.250 nan 0.000 0.469 216 W N 1.683 123.003 121.300 0.033 0.000 2.525 216 W HA -0.045 4.614 4.660 -0.001 0.000 0.259 216 W C 0.308 176.859 176.519 0.053 0.000 1.253 216 W CA -0.004 57.372 57.345 0.053 0.000 1.262 216 W CB -0.451 29.048 29.460 0.064 0.000 1.122 216 W HN 0.005 nan 8.180 nan 0.000 0.607 217 Q N 0.793 120.209 119.800 -0.640 0.000 2.257 217 Q HA 0.428 4.767 4.340 -0.001 0.000 0.255 217 Q C 1.011 176.844 176.000 -0.277 0.000 0.920 217 Q CA 0.115 55.505 55.803 -0.687 0.000 0.927 217 Q CB 2.172 30.166 28.738 -1.241 0.000 1.229 217 Q HN 0.029 nan 8.270 nan 0.000 0.433 218 A N 3.027 125.780 122.820 -0.112 0.000 1.874 218 A HA -0.040 4.279 4.320 -0.001 0.000 0.214 218 A C 1.153 178.690 177.584 -0.079 0.000 1.189 218 A CA 1.305 53.310 52.037 -0.054 0.000 0.615 218 A CB -0.428 18.581 19.000 0.015 0.000 0.830 218 A HN 0.809 nan 8.150 nan 0.000 0.443 219 S N -1.529 114.121 115.700 -0.083 0.000 2.549 219 S HA 0.528 4.997 4.470 -0.001 0.000 0.260 219 S C 0.870 175.389 174.600 -0.134 0.000 1.217 219 S CA 0.175 58.327 58.200 -0.080 0.000 1.001 219 S CB -0.173 62.999 63.200 -0.046 0.000 1.059 219 S HN 2.243 nan 8.310 nan 0.000 0.537 220 G N -1.087 107.648 108.800 -0.108 0.000 2.795 220 G HA2 0.192 4.152 3.960 -0.001 0.000 0.664 220 G HA3 0.192 4.152 3.960 -0.001 0.000 0.664 220 G C 0.413 175.248 174.900 -0.109 0.000 1.381 220 G CA -0.146 44.881 45.100 -0.122 0.000 0.853 220 G HN 1.684 nan 8.290 nan 0.000 0.545 221 G N -0.761 107.981 108.800 -0.098 0.000 3.088 221 G HA2 0.392 4.351 3.960 -0.001 0.000 0.217 221 G HA3 0.392 4.351 3.960 -0.001 0.000 0.217 221 G C 0.546 175.393 174.900 -0.087 0.000 1.159 221 G CA 0.924 45.976 45.100 -0.080 0.000 0.760 221 G HN 0.747 nan 8.290 nan 0.000 0.550 222 E N 0.901 121.034 120.200 -0.113 0.000 2.384 222 E HA 0.096 4.446 4.350 -0.001 0.000 0.266 222 E C 0.400 176.935 176.600 -0.109 0.000 1.012 222 E CA -0.208 56.125 56.400 -0.111 0.000 0.901 222 E CB 0.828 30.443 29.700 -0.142 0.000 0.967 222 E HN -0.119 nan 8.360 nan 0.000 0.435 223 K N 1.618 121.963 120.400 -0.091 0.000 2.458 223 K HA 0.125 4.445 4.320 -0.001 0.000 0.194 223 K C -0.036 176.503 176.600 -0.102 0.000 1.024 223 K CA 0.035 56.266 56.287 -0.093 0.000 1.108 223 K CB 0.049 32.504 32.500 -0.075 0.000 0.846 223 K HN 0.147 nan 8.250 nan 0.000 0.518 224 S N 1.537 117.180 115.700 -0.095 0.000 2.465 224 S HA 0.126 4.595 4.470 -0.001 0.000 0.280 224 S C 1.085 175.599 174.600 -0.143 0.000 1.232 224 S CA -0.057 58.092 58.200 -0.084 0.000 1.066 224 S CB 0.826 64.001 63.200 -0.041 0.000 0.929 224 S HN 0.139 nan 8.310 nan 0.000 0.494 225 K N 2.009 122.252 120.400 -0.262 0.000 2.116 225 K HA 0.055 4.374 4.320 -0.001 0.000 0.203 225 K C -0.358 175.937 176.600 -0.509 0.000 1.052 225 K CA 0.991 56.960 56.287 -0.530 0.000 0.952 225 K CB 0.093 31.926 32.500 -1.112 0.000 0.729 225 K HN 0.432 nan 8.250 nan 0.000 0.446 226 F N -0.029 119.944 119.950 0.038 0.000 2.522 226 F HA 0.576 5.103 4.527 -0.001 0.000 0.324 226 F C 0.462 176.276 175.800 0.024 0.000 1.077 226 F CA -0.949 57.067 58.000 0.026 0.000 0.944 226 F CB 2.291 41.305 39.000 0.023 0.000 1.175 226 F HN 0.102 nan 8.300 nan 0.000 0.468 227 G N 1.561 110.493 108.800 0.219 0.000 2.348 227 G HA2 0.190 4.149 3.960 -0.001 0.000 0.606 227 G HA3 0.190 4.149 3.960 -0.001 0.000 0.606 227 G C -2.045 172.908 174.900 0.089 0.000 1.466 227 G CA -1.318 43.858 45.100 0.126 0.000 0.950 227 G HN 0.641 nan 8.290 nan 0.000 0.657 228 L N 1.303 122.567 121.223 0.070 0.000 2.312 228 L HA 0.558 4.898 4.340 -0.001 0.000 0.281 228 L C 1.384 178.327 176.870 0.122 0.000 1.070 228 L CA -0.793 54.098 54.840 0.086 0.000 0.805 228 L CB 1.536 43.644 42.059 0.082 0.000 1.174 228 L HN 0.620 nan 8.230 nan 0.000 0.434 229 S N 1.132 116.924 115.700 0.154 0.000 2.563 229 S HA 0.005 4.475 4.470 -0.001 0.000 0.269 229 S C 1.286 176.053 174.600 0.277 0.000 1.364 229 S CA 0.294 58.635 58.200 0.235 0.000 1.010 229 S CB 1.131 64.459 63.200 0.212 0.000 0.877 229 S HN 0.776 nan 8.310 nan 0.000 0.549 230 A N 2.294 125.316 122.820 0.336 0.000 1.892 230 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 230 A C 2.465 180.150 177.584 0.169 0.000 1.188 230 A CA 2.338 54.545 52.037 0.283 0.000 0.631 230 A CB -1.313 17.776 19.000 0.148 0.000 0.822 230 A HN 0.730 nan 8.150 nan 0.000 0.447 231 S N -0.935 114.852 115.700 0.145 0.000 2.359 231 S HA -0.248 4.222 4.470 -0.001 0.000 0.224 231 S C 2.197 176.860 174.600 0.105 0.000 1.035 231 S CA 1.822 60.085 58.200 0.105 0.000 1.018 231 S CB -0.392 62.874 63.200 0.109 0.000 0.876 231 S HN 0.677 nan 8.310 nan 0.000 0.448 232 Q N -0.087 119.786 119.800 0.122 0.000 2.124 232 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 232 Q C 2.246 178.309 176.000 0.105 0.000 0.977 232 Q CA 1.572 57.436 55.803 0.101 0.000 0.850 232 Q CB -0.250 28.548 28.738 0.099 0.000 0.901 232 Q HN 0.435 nan 8.270 nan 0.000 0.429 233 V N 1.119 121.121 119.914 0.147 0.000 2.295 233 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 233 V C 2.188 178.352 176.094 0.116 0.000 1.049 233 V CA 1.603 63.999 62.300 0.160 0.000 1.024 233 V CB -0.517 31.477 31.823 0.285 0.000 0.648 233 V HN 0.366 nan 8.190 nan 0.000 0.447 234 L N 0.170 121.453 121.223 0.099 0.000 2.042 234 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 234 L C 2.469 179.371 176.870 0.053 0.000 1.076 234 L CA 1.694 56.572 54.840 0.063 0.000 0.749 234 L CB -0.861 41.225 42.059 0.045 0.000 0.893 234 L HN 0.389 nan 8.230 nan 0.000 0.432 235 N N -0.229 118.503 118.700 0.055 0.000 2.104 235 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 235 N C 1.875 177.409 175.510 0.041 0.000 1.024 235 N CA 1.219 54.295 53.050 0.044 0.000 0.853 235 N CB -0.661 37.853 38.487 0.045 0.000 1.008 235 N HN 0.090 nan 8.380 nan 0.000 0.424 236 V N 1.935 121.878 119.914 0.049 0.000 2.231 236 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 236 V C 2.298 178.416 176.094 0.041 0.000 1.054 236 V CA 1.281 63.607 62.300 0.043 0.000 1.015 236 V CB -0.488 31.367 31.823 0.052 0.000 0.638 236 V HN 0.213 nan 8.190 nan 0.000 0.444 237 I N 0.162 120.761 120.570 0.048 0.000 2.151 237 I HA -0.261 3.908 4.170 -0.001 0.000 0.243 237 I C 2.727 178.862 176.117 0.030 0.000 1.080 237 I CA 2.219 63.543 61.300 0.041 0.000 1.339 237 I CB -1.487 36.538 38.000 0.041 0.000 1.039 237 I HN 0.394 nan 8.210 nan 0.000 0.409 238 S N 0.131 115.848 115.700 0.029 0.000 2.368 238 S HA -0.228 4.241 4.470 -0.001 0.000 0.225 238 S C 2.176 176.789 174.600 0.021 0.000 1.030 238 S CA 1.612 59.826 58.200 0.023 0.000 0.999 238 S CB -0.120 63.094 63.200 0.023 0.000 0.844 238 S HN 0.357 nan 8.310 nan 0.000 0.459 239 R N 0.869 121.382 120.500 0.022 0.000 2.092 239 R HA 0.158 4.497 4.340 -0.001 0.000 0.231 239 R C 2.119 178.429 176.300 0.017 0.000 1.119 239 R CA 1.349 57.460 56.100 0.018 0.000 0.970 239 R CB -0.637 29.673 30.300 0.017 0.000 0.864 239 R HN 0.463 nan 8.270 nan 0.000 0.440 240 L N 0.139 121.374 121.223 0.021 0.000 2.056 240 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 240 L C 2.334 179.215 176.870 0.019 0.000 1.078 240 L CA 1.491 56.343 54.840 0.021 0.000 0.749 240 L CB -0.410 41.665 42.059 0.027 0.000 0.901 240 L HN 0.167 nan 8.230 nan 0.000 0.433 241 K N 0.214 120.625 120.400 0.019 0.000 2.063 241 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 241 K C 2.200 178.808 176.600 0.013 0.000 1.048 241 K CA 1.235 57.532 56.287 0.016 0.000 0.928 241 K CB -0.111 32.398 32.500 0.015 0.000 0.713 241 K HN 0.145 nan 8.250 nan 0.000 0.442 242 K N 0.921 121.329 120.400 0.013 0.000 2.147 242 K HA -0.147 4.172 4.320 -0.001 0.000 0.205 242 K C 1.064 177.670 176.600 0.010 0.000 1.049 242 K CA 1.203 57.496 56.287 0.011 0.000 0.936 242 K CB 0.262 32.769 32.500 0.011 0.000 0.722 242 K HN 0.094 nan 8.250 nan 0.000 0.446 243 E N 0.253 120.459 120.200 0.010 0.000 2.463 243 E HA 0.009 4.359 4.350 -0.001 0.000 0.193 243 E C -0.510 176.096 176.600 0.009 0.000 1.041 243 E CA -0.007 56.399 56.400 0.009 0.000 0.879 243 E CB -0.034 29.671 29.700 0.008 0.000 0.997 243 E HN 0.317 nan 8.360 nan 0.000 0.478 244 N N 1.309 120.015 118.700 0.011 0.000 2.740 244 N HA -0.218 4.521 4.740 -0.001 0.000 0.248 244 N C -0.040 175.477 175.510 0.013 0.000 1.062 244 N CA 0.549 53.606 53.050 0.011 0.000 0.704 244 N CB -0.954 37.538 38.487 0.009 0.000 0.968 244 N HN 0.216 nan 8.380 nan 0.000 0.547 245 Q N -0.605 119.204 119.800 0.016 0.000 2.110 245 Q HA 0.228 4.568 4.340 -0.001 0.000 0.232 245 Q C 0.894 176.910 176.000 0.026 0.000 0.810 245 Q CA -0.450 55.364 55.803 0.018 0.000 1.083 245 Q CB 0.447 29.194 28.738 0.014 0.000 1.193 245 Q HN 0.299 nan 8.270 nan 0.000 0.471 246 L N 1.905 123.144 121.223 0.027 0.000 2.191 246 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 246 L C 1.641 178.536 176.870 0.043 0.000 1.103 246 L CA 2.147 57.007 54.840 0.034 0.000 0.769 246 L CB -0.128 41.947 42.059 0.028 0.000 0.908 246 L HN 0.338 nan 8.230 nan 0.000 0.438 247 D N -2.571 117.853 120.400 0.040 0.000 2.312 247 D HA -0.170 4.470 4.640 -0.001 0.000 0.211 247 D C 1.882 178.221 176.300 0.065 0.000 0.964 247 D CA 1.173 55.203 54.000 0.050 0.000 0.877 247 D CB -0.904 39.920 40.800 0.040 0.000 0.924 247 D HN 0.467 nan 8.370 nan 0.000 0.515 248 T N -1.900 112.687 114.554 0.055 0.000 3.035 248 T HA -0.061 4.289 4.350 -0.001 0.000 0.268 248 T C 0.829 175.588 174.700 0.098 0.000 1.109 248 T CA -0.252 61.885 62.100 0.062 0.000 1.119 248 T CB -0.477 68.412 68.868 0.035 0.000 0.900 248 T HN 0.104 nan 8.240 nan 0.000 0.503 249 L N 1.892 123.174 121.223 0.098 0.000 2.385 249 L HA 0.390 4.730 4.340 -0.001 0.000 0.281 249 L C 0.806 177.777 176.870 0.168 0.000 1.106 249 L CA 0.343 55.257 54.840 0.124 0.000 0.856 249 L CB 0.546 42.663 42.059 0.097 0.000 1.186 249 L HN 0.182 nan 8.230 nan 0.000 0.453 250 Q N 3.981 123.923 119.800 0.236 0.000 2.179 250 Q HA 0.365 4.704 4.340 -0.001 0.000 0.244 250 Q C -0.818 175.363 176.000 0.302 0.000 0.808 250 Q CA -0.114 55.877 55.803 0.312 0.000 0.955 250 Q CB 1.172 30.200 28.738 0.483 0.000 1.141 250 Q HN 0.635 nan 8.270 nan 0.000 0.485 251 L N 0.576 121.923 121.223 0.207 0.000 2.436 251 L HA 0.562 4.901 4.340 -0.001 0.000 0.268 251 L C -1.582 175.355 176.870 0.111 0.000 0.974 251 L CA -0.903 53.998 54.840 0.102 0.000 0.826 251 L CB 2.143 44.108 42.059 -0.156 0.000 1.291 251 L HN -0.276 nan 8.230 nan 0.000 0.406 252 V N 3.523 123.510 119.914 0.122 0.000 2.459 252 V HA 0.476 4.596 4.120 -0.001 0.000 0.295 252 V C -1.020 175.050 176.094 -0.039 0.000 1.029 252 V CA -0.478 61.878 62.300 0.093 0.000 0.874 252 V CB 1.635 33.579 31.823 0.202 0.000 0.985 252 V HN 0.831 nan 8.190 nan 0.000 0.438 253 H N 4.599 123.593 119.070 -0.126 0.000 2.679 253 H HA 0.755 5.310 4.556 -0.001 0.000 0.360 253 H C -1.205 174.082 175.328 -0.069 0.000 1.105 253 H CA -0.693 55.239 56.048 -0.193 0.000 1.196 253 H CB 1.724 31.388 29.762 -0.164 0.000 1.636 253 H HN 0.575 nan 8.280 nan 0.000 0.531 254 F N 2.065 121.741 119.950 -0.456 0.000 2.613 254 F HA 0.478 5.004 4.527 -0.001 0.000 0.310 254 F C -1.749 173.934 175.800 -0.196 0.000 1.085 254 F CA -1.046 56.833 58.000 -0.201 0.000 0.945 254 F CB 1.509 40.390 39.000 -0.200 0.000 1.298 254 F HN 0.586 nan 8.300 nan 0.000 0.455 255 H N 3.365 122.486 119.070 0.085 0.000 2.823 255 H HA 0.496 5.051 4.556 -0.001 0.000 0.332 255 H C -0.397 175.038 175.328 0.179 0.000 0.980 255 H CA -0.993 55.092 56.048 0.061 0.000 1.286 255 H CB 1.580 31.428 29.762 0.144 0.000 1.541 255 H HN 0.823 nan 8.280 nan 0.000 0.521 256 L N 3.607 124.780 121.223 -0.084 0.000 2.217 256 L HA 0.262 4.601 4.340 -0.001 0.000 0.211 256 L C 0.993 177.687 176.870 -0.292 0.000 1.107 256 L CA 0.958 55.745 54.840 -0.087 0.000 0.783 256 L CB -0.265 41.835 42.059 0.069 0.000 0.919 256 L HN 0.920 nan 8.230 nan 0.000 0.442 257 G N -0.936 107.420 108.800 -0.739 0.000 2.392 257 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.677 257 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.677 257 G C -0.889 173.929 174.900 -0.137 0.000 1.334 257 G CA -0.391 44.436 45.100 -0.455 0.000 0.961 257 G HN -0.061 nan 8.290 nan 0.000 0.616 258 S N -0.509 115.226 115.700 0.059 0.000 2.592 258 S HA 0.482 4.951 4.470 -0.001 0.000 0.271 258 S C 0.755 175.421 174.600 0.109 0.000 1.326 258 S CA 1.440 59.736 58.200 0.159 0.000 1.024 258 S CB 0.914 64.214 63.200 0.165 0.000 0.921 258 S HN 2.160 nan 8.310 nan 0.000 0.527 259 Q N 1.878 121.769 119.800 0.152 0.000 2.457 259 Q HA -0.134 4.205 4.340 -0.001 0.000 0.333 259 Q C -1.257 174.818 176.000 0.125 0.000 1.448 259 Q CA 0.633 56.519 55.803 0.139 0.000 0.891 259 Q CB -1.360 27.452 28.738 0.122 0.000 1.142 259 Q HN 0.603 nan 8.270 nan 0.000 0.375 260 M N 0.961 120.661 119.600 0.167 0.000 2.194 260 M HA 0.349 4.828 4.480 -0.001 0.000 0.347 260 M C 1.261 177.719 176.300 0.262 0.000 1.439 260 M CA 0.643 56.054 55.300 0.184 0.000 1.131 260 M CB 0.400 33.120 32.600 0.201 0.000 1.733 260 M HN 0.480 nan 8.290 nan 0.000 0.467 261 A N 3.899 126.831 122.820 0.185 0.000 2.081 261 A HA 0.047 4.367 4.320 -0.001 0.000 0.214 261 A C 0.835 178.566 177.584 0.244 0.000 1.158 261 A CA 0.601 52.737 52.037 0.165 0.000 0.724 261 A CB -0.023 19.025 19.000 0.081 0.000 0.826 261 A HN 0.716 nan 8.150 nan 0.000 0.463 262 N N -0.237 118.604 118.700 0.235 0.000 2.443 262 N HA 0.304 5.044 4.740 -0.001 0.000 0.269 262 N C 0.205 175.798 175.510 0.138 0.000 0.985 262 N CA -0.642 52.520 53.050 0.188 0.000 0.921 262 N CB 1.075 39.623 38.487 0.102 0.000 1.195 262 N HN 0.002 nan 8.380 nan 0.000 0.492 263 I N 3.551 124.189 120.570 0.113 0.000 2.530 263 I HA -0.092 4.077 4.170 -0.001 0.000 0.257 263 I C 2.099 178.174 176.117 -0.069 0.000 1.179 263 I CA 1.153 62.367 61.300 -0.145 0.000 1.440 263 I CB -0.148 37.786 38.000 -0.110 0.000 1.087 263 I HN 0.612 nan 8.210 nan 0.000 0.440 264 R N 0.865 121.365 120.500 -0.001 0.000 2.081 264 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 264 R C 1.788 178.088 176.300 0.000 0.000 1.131 264 R CA 2.011 58.112 56.100 0.001 0.000 0.960 264 R CB -0.745 29.566 30.300 0.019 0.000 0.856 264 R HN 0.337 nan 8.270 nan 0.000 0.436 265 D N -0.414 119.996 120.400 0.016 0.000 2.144 265 D HA -0.107 4.532 4.640 -0.001 0.000 0.200 265 D C 1.899 178.212 176.300 0.022 0.000 0.978 265 D CA 1.403 55.417 54.000 0.023 0.000 0.833 265 D CB -0.149 40.677 40.800 0.043 0.000 0.961 265 D HN 0.124 nan 8.370 nan 0.000 0.470 266 V N 0.894 120.816 119.914 0.012 0.000 2.237 266 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 266 V C 2.587 178.678 176.094 -0.005 0.000 1.046 266 V CA 1.732 64.047 62.300 0.025 0.000 1.007 266 V CB -0.481 31.331 31.823 -0.018 0.000 0.638 266 V HN 0.091 nan 8.190 nan 0.000 0.445 267 R N 0.385 120.859 120.500 -0.044 0.000 2.113 267 R HA -0.234 4.106 4.340 -0.001 0.000 0.244 267 R C 2.243 178.531 176.300 -0.020 0.000 1.142 267 R CA 2.325 58.402 56.100 -0.038 0.000 0.953 267 R CB -0.362 29.913 30.300 -0.041 0.000 0.860 267 R HN 0.550 nan 8.270 nan 0.000 0.438 268 N N -0.429 118.261 118.700 -0.017 0.000 2.084 268 N HA -0.108 4.632 4.740 -0.001 0.000 0.190 268 N C 1.710 177.189 175.510 -0.053 0.000 1.030 268 N CA 1.540 54.580 53.050 -0.018 0.000 0.849 268 N CB -0.744 37.739 38.487 -0.007 0.000 1.012 268 N HN 0.442 nan 8.380 nan 0.000 0.423 269 G N 0.883 109.634 108.800 -0.082 0.000 2.446 269 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 269 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 269 G C 1.715 176.384 174.900 -0.386 0.000 1.168 269 G CA 0.922 45.877 45.100 -0.243 0.000 0.771 269 G HN 0.217 nan 8.290 nan 0.000 0.551 270 V N 1.115 120.966 119.914 -0.105 0.000 2.427 270 V HA -0.173 3.947 4.120 -0.001 0.000 0.248 270 V C 2.519 178.656 176.094 0.072 0.000 1.051 270 V CA 1.997 64.344 62.300 0.079 0.000 1.048 270 V CB -0.588 31.344 31.823 0.182 0.000 0.666 270 V HN 0.509 nan 8.190 nan 0.000 0.456 271 N N 0.505 119.215 118.700 0.016 0.000 2.043 271 N HA -0.262 4.477 4.740 -0.001 0.000 0.193 271 N C 1.951 177.497 175.510 0.060 0.000 1.037 271 N CA 2.132 55.205 53.050 0.037 0.000 0.851 271 N CB -0.194 38.308 38.487 0.024 0.000 1.027 271 N HN 0.576 nan 8.380 nan 0.000 0.422 272 E N -0.617 119.594 120.200 0.017 0.000 2.077 272 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 272 E C 1.688 178.383 176.600 0.159 0.000 0.989 272 E CA 1.243 57.688 56.400 0.075 0.000 0.800 272 E CB -0.048 29.674 29.700 0.036 0.000 0.746 272 E HN 0.363 nan 8.360 nan 0.000 0.452 273 S N 0.427 116.135 115.700 0.014 0.000 2.356 273 S HA -0.143 4.327 4.470 -0.001 0.000 0.223 273 S C 2.065 176.942 174.600 0.461 0.000 1.032 273 S CA 0.923 59.185 58.200 0.105 0.000 1.005 273 S CB -0.270 62.801 63.200 -0.215 0.000 0.867 273 S HN 0.479 nan 8.310 nan 0.000 0.449 274 A N 1.930 125.021 122.820 0.452 0.000 1.948 274 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 274 A C 2.142 179.855 177.584 0.215 0.000 1.177 274 A CA 1.601 53.812 52.037 0.290 0.000 0.636 274 A CB -0.496 18.538 19.000 0.056 0.000 0.815 274 A HN 0.446 nan 8.150 nan 0.000 0.449 275 R N -2.165 118.442 120.500 0.179 0.000 2.092 275 R HA -0.033 4.306 4.340 -0.001 0.000 0.231 275 R C 1.861 178.203 176.300 0.070 0.000 1.119 275 R CA 1.417 57.559 56.100 0.070 0.000 0.970 275 R CB -0.420 29.961 30.300 0.134 0.000 0.864 275 R HN 0.549 nan 8.270 nan 0.000 0.440 276 F N -0.327 119.668 119.950 0.075 0.000 2.134 276 F HA -0.250 4.277 4.527 -0.001 0.000 0.299 276 F C 2.312 178.165 175.800 0.088 0.000 1.097 276 F CA 1.570 59.618 58.000 0.080 0.000 1.264 276 F CB -0.368 38.699 39.000 0.113 0.000 1.001 276 F HN 0.041 nan 8.300 nan 0.000 0.479 277 Y N -0.411 120.045 120.300 0.260 0.000 2.181 277 Y HA -0.278 4.271 4.550 -0.001 0.000 0.288 277 Y C 2.293 178.192 175.900 -0.002 0.000 1.146 277 Y CA 1.479 59.689 58.100 0.183 0.000 1.164 277 Y CB -0.955 37.675 38.460 0.284 0.000 0.982 277 Y HN 0.062 nan 8.280 nan 0.000 0.515 278 C N 1.007 120.136 119.300 -0.284 0.000 2.450 278 C HA -0.091 4.369 4.460 -0.001 0.000 0.279 278 C C 2.563 177.306 174.990 -0.411 0.000 1.335 278 C CA 0.996 59.649 59.018 -0.608 0.000 1.749 278 C CB -0.780 26.189 27.740 -1.285 0.000 1.963 278 C HN 0.591 nan 8.230 nan 0.000 0.501 279 E N 1.002 121.049 120.200 -0.255 0.000 2.106 279 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 279 E C 2.095 178.647 176.600 -0.079 0.000 0.984 279 E CA 0.965 57.305 56.400 -0.100 0.000 0.806 279 E CB -0.340 29.299 29.700 -0.101 0.000 0.750 279 E HN 0.658 nan 8.360 nan 0.000 0.458 280 L N 0.889 122.069 121.223 -0.071 0.000 2.017 280 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 280 L C 2.586 179.400 176.870 -0.093 0.000 1.073 280 L CA 1.107 55.925 54.840 -0.037 0.000 0.745 280 L CB -0.541 41.538 42.059 0.034 0.000 0.894 280 L HN 0.019 nan 8.230 nan 0.000 0.432 281 R N -0.524 119.849 120.500 -0.211 0.000 2.127 281 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 281 R C 2.168 178.411 176.300 -0.095 0.000 1.134 281 R CA 1.733 57.721 56.100 -0.187 0.000 0.975 281 R CB -1.252 28.871 30.300 -0.294 0.000 0.865 281 R HN 0.333 nan 8.270 nan 0.000 0.447 282 T N 2.044 116.553 114.554 -0.075 0.000 2.788 282 T HA -0.008 4.341 4.350 -0.001 0.000 0.268 282 T C 1.771 176.464 174.700 -0.012 0.000 1.044 282 T CA 0.910 63.001 62.100 -0.016 0.000 1.139 282 T CB -0.069 68.815 68.868 0.026 0.000 0.867 282 T HN 0.146 nan 8.240 nan 0.000 0.454 283 L N 0.267 121.480 121.223 -0.017 0.000 2.610 283 L HA 0.230 4.569 4.340 -0.001 0.000 0.232 283 L C 1.817 178.685 176.870 -0.004 0.000 1.149 283 L CA 0.427 55.264 54.840 -0.006 0.000 0.872 283 L CB -0.250 41.809 42.059 0.000 0.000 0.992 283 L HN 0.495 nan 8.230 nan 0.000 0.447 284 G N -0.612 108.181 108.800 -0.013 0.000 2.179 284 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 284 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 284 G C 0.312 175.209 174.900 -0.004 0.000 0.990 284 G CA -0.159 44.937 45.100 -0.007 0.000 0.646 284 G HN 0.453 nan 8.290 nan 0.000 0.517 285 A N -0.087 122.728 122.820 -0.008 0.000 2.354 285 A HA 0.668 4.987 4.320 -0.001 0.000 0.269 285 A C 0.313 177.896 177.584 -0.001 0.000 1.109 285 A CA 0.217 52.259 52.037 0.009 0.000 0.800 285 A CB 0.513 19.528 19.000 0.024 0.000 1.045 285 A HN 0.630 nan 8.150 nan 0.000 0.489 286 N N 2.370 121.087 118.700 0.028 0.000 2.801 286 N HA 0.240 4.979 4.740 -0.001 0.000 0.235 286 N C -0.676 174.884 175.510 0.083 0.000 1.069 286 N CA -0.370 52.701 53.050 0.035 0.000 0.946 286 N CB -0.087 38.423 38.487 0.039 0.000 1.212 286 N HN 0.454 nan 8.380 nan 0.000 0.509 287 I N 2.064 122.693 120.570 0.099 0.000 2.471 287 I HA 0.074 4.243 4.170 -0.001 0.000 0.286 287 I C 1.264 177.525 176.117 0.241 0.000 1.079 287 I CA 0.164 61.595 61.300 0.219 0.000 1.398 287 I CB 0.793 38.995 38.000 0.337 0.000 1.403 287 I HN 0.413 nan 8.210 nan 0.000 0.530 288 T N 5.274 119.922 114.554 0.156 0.000 3.033 288 T HA 0.102 4.451 4.350 -0.001 0.000 0.248 288 T C 0.039 174.608 174.700 -0.217 0.000 1.040 288 T CA 0.877 62.924 62.100 -0.088 0.000 1.133 288 T CB 0.052 68.746 68.868 -0.290 0.000 0.895 288 T HN 0.342 nan 8.240 nan 0.000 0.465 289 Y N 0.051 120.393 120.300 0.070 0.000 2.429 289 Y HA 0.586 5.136 4.550 -0.001 0.000 0.342 289 Y C -0.905 175.028 175.900 0.055 0.000 1.004 289 Y CA -1.980 56.111 58.100 -0.015 0.000 1.075 289 Y CB 1.367 39.697 38.460 -0.217 0.000 1.214 289 Y HN 0.072 nan 8.280 nan 0.000 0.455 290 F N 3.450 123.397 119.950 -0.005 0.000 2.577 290 F HA 0.357 4.883 4.527 -0.001 0.000 0.344 290 F C -1.193 174.537 175.800 -0.117 0.000 1.145 290 F CA -0.730 57.223 58.000 -0.079 0.000 0.996 290 F CB 0.755 39.628 39.000 -0.211 0.000 1.248 290 F HN 0.434 nan 8.300 nan 0.000 0.447 291 D N 5.391 125.542 120.400 -0.415 0.000 2.392 291 D HA 0.159 4.799 4.640 -0.001 0.000 0.228 291 D C 0.714 176.480 176.300 -0.890 0.000 1.074 291 D CA -0.271 53.450 54.000 -0.465 0.000 0.838 291 D CB 1.816 42.423 40.800 -0.323 0.000 1.067 291 D HN 0.436 nan 8.370 nan 0.000 0.511 292 V N 2.289 121.755 119.914 -0.747 0.000 3.630 292 V HA 0.384 4.504 4.120 -0.001 0.000 0.273 292 V C 1.167 176.750 176.094 -0.852 0.000 1.248 292 V CA 0.689 62.339 62.300 -1.084 0.000 1.170 292 V CB -1.135 30.485 31.823 -0.338 0.000 0.899 292 V HN 0.732 nan 8.190 nan 0.000 0.457 293 G N 0.002 108.411 108.800 -0.652 0.000 2.645 293 G HA2 0.034 3.994 3.960 -0.001 0.000 0.246 293 G HA3 0.034 3.994 3.960 -0.001 0.000 0.246 293 G C 0.358 175.260 174.900 0.003 0.000 1.322 293 G CA -0.106 44.802 45.100 -0.321 0.000 0.898 293 G HN 1.437 nan 8.290 nan 0.000 0.573 294 G N -2.527 106.398 108.800 0.208 0.000 2.508 294 G HA2 0.658 4.618 3.960 -0.001 0.000 0.278 294 G HA3 0.658 4.618 3.960 -0.001 0.000 0.278 294 G C 1.420 176.515 174.900 0.325 0.000 1.389 294 G CA 1.294 46.563 45.100 0.282 0.000 1.050 294 G HN 2.578 nan 8.290 nan 0.000 0.522 295 G N -2.117 106.849 108.800 0.277 0.000 2.316 295 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.203 295 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.203 295 G C 0.419 175.424 174.900 0.175 0.000 0.999 295 G CA 0.260 45.491 45.100 0.219 0.000 0.649 295 G HN 1.333 nan 8.290 nan 0.000 0.489 296 L N 2.879 124.141 121.223 0.066 0.000 2.654 296 L HA 0.674 5.013 4.340 -0.001 0.000 0.271 296 L C 0.922 177.792 176.870 -0.000 0.000 1.169 296 L CA 0.248 54.971 54.840 -0.196 0.000 0.947 296 L CB -0.206 41.602 42.059 -0.418 0.000 1.232 296 L HN 0.922 nan 8.230 nan 0.000 0.486 297 A N 6.016 128.858 122.820 0.036 0.000 2.313 297 A HA 0.532 4.851 4.320 -0.001 0.000 0.261 297 A C -0.054 177.495 177.584 -0.059 0.000 1.090 297 A CA -0.502 51.545 52.037 0.016 0.000 0.807 297 A CB 0.243 19.224 19.000 -0.031 0.000 1.055 297 A HN 0.662 nan 8.150 nan 0.000 0.492 298 I N 0.943 121.471 120.570 -0.070 0.000 2.412 298 I HA 0.183 4.352 4.170 -0.001 0.000 0.296 298 I C -0.373 175.552 176.117 -0.320 0.000 0.987 298 I CA -0.377 60.781 61.300 -0.236 0.000 1.180 298 I CB 1.594 39.282 38.000 -0.519 0.000 1.340 298 I HN 0.627 nan 8.210 nan 0.000 0.455 299 D N 5.367 125.643 120.400 -0.207 0.000 2.508 299 D HA 0.047 4.686 4.640 -0.001 0.000 0.224 299 D C 0.839 177.095 176.300 -0.073 0.000 1.171 299 D CA 0.071 54.009 54.000 -0.103 0.000 1.006 299 D CB 0.064 40.847 40.800 -0.028 0.000 1.073 299 D HN 0.267 nan 8.370 nan 0.000 0.513 300 Y N 0.753 121.043 120.300 -0.016 0.000 2.293 300 Y HA -0.119 4.430 4.550 -0.001 0.000 0.291 300 Y C 1.902 177.736 175.900 -0.110 0.000 1.137 300 Y CA 1.236 59.283 58.100 -0.089 0.000 1.202 300 Y CB 0.128 38.465 38.460 -0.205 0.000 0.990 300 Y HN 0.365 nan 8.280 nan 0.000 0.537 301 D N -2.754 117.703 120.400 0.095 0.000 2.398 301 D HA 0.187 4.827 4.640 -0.001 0.000 0.210 301 D C 1.780 178.168 176.300 0.146 0.000 1.094 301 D CA 0.637 54.670 54.000 0.056 0.000 0.839 301 D CB 0.045 40.855 40.800 0.017 0.000 0.963 301 D HN 0.211 nan 8.370 nan 0.000 0.506 302 G N 0.417 109.329 108.800 0.186 0.000 2.184 302 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.264 302 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.264 302 G C 1.216 176.141 174.900 0.041 0.000 0.975 302 G CA 1.051 46.280 45.100 0.215 0.000 0.642 302 G HN 0.674 nan 8.290 nan 0.000 0.536 303 T N -1.914 112.647 114.554 0.013 0.000 3.113 303 T HA 0.265 4.615 4.350 -0.001 0.000 0.256 303 T C 1.219 175.872 174.700 -0.078 0.000 1.131 303 T CA 1.111 63.182 62.100 -0.047 0.000 1.074 303 T CB -0.034 68.823 68.868 -0.018 0.000 0.944 303 T HN 0.949 nan 8.240 nan 0.000 0.516 304 R N 1.589 122.044 120.500 -0.075 0.000 3.301 304 R HA -0.179 4.160 4.340 -0.001 0.000 0.249 304 R C -0.584 175.681 176.300 -0.059 0.000 0.964 304 R CA 0.770 56.819 56.100 -0.084 0.000 0.653 304 R CB -1.872 28.370 30.300 -0.098 0.000 1.043 304 R HN 0.802 nan 8.270 nan 0.000 0.454 305 S N -1.111 114.564 115.700 -0.042 0.000 2.664 305 S HA 0.243 4.712 4.470 -0.001 0.000 0.304 305 S C 0.015 174.610 174.600 -0.008 0.000 1.099 305 S CA -0.971 57.216 58.200 -0.022 0.000 1.003 305 S CB 1.983 65.172 63.200 -0.018 0.000 1.092 305 S HN 0.367 nan 8.310 nan 0.000 0.525 306 Q N 1.566 121.372 119.800 0.010 0.000 2.664 306 Q HA 0.356 4.696 4.340 -0.001 0.000 0.223 306 Q C -0.456 175.553 176.000 0.014 0.000 1.298 306 Q CA -0.217 55.602 55.803 0.027 0.000 0.965 306 Q CB -0.216 28.546 28.738 0.040 0.000 1.510 306 Q HN 0.778 nan 8.270 nan 0.000 0.567 307 S N 0.212 115.916 115.700 0.007 0.000 2.607 307 S HA 0.284 4.754 4.470 -0.001 0.000 0.273 307 S C 0.529 175.126 174.600 -0.005 0.000 1.148 307 S CA -0.124 58.073 58.200 -0.004 0.000 0.833 307 S CB 1.425 64.618 63.200 -0.013 0.000 1.130 307 S HN 0.461 nan 8.310 nan 0.000 0.470 308 S N 1.320 117.008 115.700 -0.021 0.000 2.522 308 S HA 0.074 4.544 4.470 -0.001 0.000 0.227 308 S C 0.751 175.332 174.600 -0.032 0.000 0.986 308 S CA 0.811 58.995 58.200 -0.026 0.000 0.929 308 S CB -0.852 62.317 63.200 -0.052 0.000 0.769 308 S HN 0.742 nan 8.310 nan 0.000 0.529 309 N N 0.465 119.146 118.700 -0.032 0.000 2.235 309 N HA 0.333 5.073 4.740 -0.001 0.000 0.209 309 N C -0.026 175.535 175.510 0.085 0.000 1.122 309 N CA -0.115 52.929 53.050 -0.010 0.000 0.845 309 N CB 0.732 39.164 38.487 -0.092 0.000 1.004 309 N HN 0.301 nan 8.380 nan 0.000 0.499 310 S N -0.350 115.374 115.700 0.039 0.000 2.880 310 S HA 0.716 5.185 4.470 -0.001 0.000 0.308 310 S C -2.011 172.560 174.600 -0.048 0.000 1.195 310 S CA -0.709 57.493 58.200 0.003 0.000 0.866 310 S CB 0.892 64.086 63.200 -0.010 0.000 1.254 310 S HN 0.055 nan 8.310 nan 0.000 0.571 311 M N 2.410 121.934 119.600 -0.126 0.000 2.520 311 M HA 0.498 4.977 4.480 -0.001 0.000 0.280 311 M C -1.403 174.796 176.300 -0.168 0.000 1.232 311 M CA -0.642 54.534 55.300 -0.206 0.000 0.892 311 M CB 0.980 33.233 32.600 -0.579 0.000 1.728 311 M HN 0.643 nan 8.290 nan 0.000 0.475 312 N N 1.253 119.945 118.700 -0.013 0.000 2.346 312 N HA 0.193 4.932 4.740 -0.001 0.000 0.225 312 N C -1.021 174.558 175.510 0.116 0.000 1.144 312 N CA 0.023 53.100 53.050 0.045 0.000 0.837 312 N CB -0.814 37.731 38.487 0.097 0.000 1.069 312 N HN 0.755 nan 8.380 nan 0.000 0.487 313 Y N -3.913 116.397 120.300 0.016 0.000 2.625 313 Y HA 0.848 5.398 4.550 -0.001 0.000 0.338 313 Y C 0.231 176.138 175.900 0.012 0.000 1.123 313 Y CA -1.734 56.379 58.100 0.022 0.000 1.046 313 Y CB 0.682 39.173 38.460 0.053 0.000 1.299 313 Y HN -0.046 nan 8.280 nan 0.000 0.464 314 G N 0.563 109.468 108.800 0.174 0.000 2.613 314 G HA2 0.397 4.356 3.960 -0.001 0.000 0.303 314 G HA3 0.397 4.356 3.960 -0.001 0.000 0.303 314 G C -0.329 174.678 174.900 0.178 0.000 1.312 314 G CA -0.737 44.410 45.100 0.078 0.000 1.036 314 G HN 0.822 nan 8.290 nan 0.000 0.513 315 L N 0.055 121.328 121.223 0.084 0.000 2.005 315 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 315 L C 2.932 179.837 176.870 0.058 0.000 1.072 315 L CA 1.669 56.562 54.840 0.088 0.000 0.744 315 L CB -0.531 41.553 42.059 0.043 0.000 0.895 315 L HN 0.266 nan 8.230 nan 0.000 0.433 316 V N 0.010 119.926 119.914 0.003 0.000 2.343 316 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 316 V C 2.576 178.628 176.094 -0.070 0.000 1.051 316 V CA 2.006 64.266 62.300 -0.067 0.000 1.036 316 V CB -0.791 31.007 31.823 -0.041 0.000 0.654 316 V HN 0.652 nan 8.190 nan 0.000 0.451 317 E N -0.613 119.598 120.200 0.018 0.000 2.150 317 E HA -0.273 4.077 4.350 -0.001 0.000 0.193 317 E C 2.164 178.762 176.600 -0.004 0.000 0.985 317 E CA 1.406 57.816 56.400 0.018 0.000 0.814 317 E CB -0.255 29.495 29.700 0.084 0.000 0.752 317 E HN 0.736 nan 8.360 nan 0.000 0.466 318 Y N 0.843 121.088 120.300 -0.092 0.000 2.163 318 Y HA -0.133 4.416 4.550 -0.001 0.000 0.288 318 Y C 2.182 177.892 175.900 -0.317 0.000 1.136 318 Y CA 1.808 59.790 58.100 -0.197 0.000 1.147 318 Y CB -0.601 37.834 38.460 -0.042 0.000 0.987 318 Y HN 0.127 nan 8.280 nan 0.000 0.509 319 A N 1.090 123.628 122.820 -0.470 0.000 1.873 319 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 319 A C 2.293 179.527 177.584 -0.583 0.000 1.193 319 A CA 2.325 53.755 52.037 -1.011 0.000 0.629 319 A CB -0.817 17.479 19.000 -1.173 0.000 0.826 319 A HN 0.586 nan 8.150 nan 0.000 0.447 320 R N -0.658 119.631 120.500 -0.352 0.000 2.083 320 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 320 R C 2.074 178.234 176.300 -0.233 0.000 1.137 320 R CA 1.745 57.703 56.100 -0.237 0.000 0.951 320 R CB -0.520 29.701 30.300 -0.132 0.000 0.851 320 R HN 0.632 nan 8.270 nan 0.000 0.434 321 N N 0.344 118.908 118.700 -0.227 0.000 2.149 321 N HA -0.136 4.603 4.740 -0.001 0.000 0.188 321 N C 1.653 177.026 175.510 -0.227 0.000 1.019 321 N CA 1.199 54.129 53.050 -0.199 0.000 0.857 321 N CB -0.061 38.309 38.487 -0.195 0.000 0.997 321 N HN 0.181 nan 8.380 nan 0.000 0.426 322 I N -0.717 119.670 120.570 -0.306 0.000 2.193 322 I HA -0.181 3.988 4.170 -0.001 0.000 0.240 322 I C 1.896 177.862 176.117 -0.253 0.000 1.084 322 I CA 0.628 61.797 61.300 -0.219 0.000 1.365 322 I CB -0.165 37.730 38.000 -0.175 0.000 1.064 322 I HN -0.026 nan 8.210 nan 0.000 0.410 323 V N 1.315 121.022 119.914 -0.346 0.000 2.261 323 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 323 V C 2.110 177.825 176.094 -0.631 0.000 1.047 323 V CA 2.092 64.064 62.300 -0.547 0.000 1.015 323 V CB -0.849 30.661 31.823 -0.521 0.000 0.642 323 V HN 0.434 nan 8.190 nan 0.000 0.446 324 N N -0.009 118.386 118.700 -0.509 0.000 2.166 324 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 324 N C 1.836 177.180 175.510 -0.276 0.000 1.019 324 N CA 1.882 54.648 53.050 -0.474 0.000 0.856 324 N CB -0.641 37.754 38.487 -0.154 0.000 0.993 324 N HN 0.475 nan 8.380 nan 0.000 0.426 325 T N 0.090 114.523 114.554 -0.202 0.000 2.851 325 T HA 0.025 4.374 4.350 -0.001 0.000 0.262 325 T C 2.118 176.751 174.700 -0.110 0.000 1.043 325 T CA 0.604 62.642 62.100 -0.104 0.000 1.140 325 T CB -0.285 68.540 68.868 -0.072 0.000 0.872 325 T HN -0.043 nan 8.240 nan 0.000 0.446 326 V N 1.546 121.340 119.914 -0.200 0.000 2.343 326 V HA -0.080 4.040 4.120 -0.001 0.000 0.247 326 V C 2.834 178.859 176.094 -0.115 0.000 1.051 326 V CA 1.993 64.136 62.300 -0.262 0.000 1.036 326 V CB -1.306 30.232 31.823 -0.475 0.000 0.654 326 V HN 0.591 nan 8.190 nan 0.000 0.451 327 G N -0.387 108.346 108.800 -0.111 0.000 2.404 327 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.215 327 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.215 327 G C 1.214 176.231 174.900 0.195 0.000 1.174 327 G CA 0.948 46.092 45.100 0.073 0.000 0.780 327 G HN 0.488 nan 8.290 nan 0.000 0.537 328 D N 0.178 120.670 120.400 0.154 0.000 2.123 328 D HA -0.096 4.544 4.640 -0.001 0.000 0.196 328 D C 2.732 179.117 176.300 0.143 0.000 0.992 328 D CA 0.710 54.814 54.000 0.174 0.000 0.833 328 D CB -0.365 40.514 40.800 0.130 0.000 0.954 328 D HN 0.211 nan 8.370 nan 0.000 0.455 329 V N 0.308 120.290 119.914 0.113 0.000 2.379 329 V HA -0.231 3.888 4.120 -0.001 0.000 0.245 329 V C 2.626 178.860 176.094 0.233 0.000 1.044 329 V CA 1.159 63.562 62.300 0.171 0.000 1.036 329 V CB -0.464 31.431 31.823 0.120 0.000 0.664 329 V HN 0.304 nan 8.190 nan 0.000 0.453 330 C N -0.027 119.362 119.300 0.148 0.000 2.413 330 C HA -0.189 4.271 4.460 -0.001 0.000 0.276 330 C C 2.733 177.833 174.990 0.183 0.000 1.248 330 C CA 1.033 60.149 59.018 0.164 0.000 1.742 330 C CB -1.048 26.762 27.740 0.118 0.000 2.017 330 C HN 0.528 nan 8.230 nan 0.000 0.481 331 K N 0.607 121.104 120.400 0.161 0.000 2.152 331 K HA -0.193 4.126 4.320 -0.001 0.000 0.206 331 K C 1.399 178.070 176.600 0.119 0.000 1.048 331 K CA 1.934 58.296 56.287 0.126 0.000 0.933 331 K CB -0.293 32.276 32.500 0.115 0.000 0.721 331 K HN 0.525 nan 8.250 nan 0.000 0.447 332 D N -0.850 119.641 120.400 0.151 0.000 2.183 332 D HA -0.105 4.535 4.640 -0.001 0.000 0.203 332 D C 1.021 177.340 176.300 0.032 0.000 0.969 332 D CA 0.963 55.011 54.000 0.080 0.000 0.842 332 D CB 0.157 40.993 40.800 0.061 0.000 0.957 332 D HN 0.225 nan 8.370 nan 0.000 0.484 333 Y N 0.229 120.546 120.300 0.029 0.000 2.482 333 Y HA 0.130 4.679 4.550 -0.001 0.000 0.270 333 Y C 0.475 176.382 175.900 0.012 0.000 1.152 333 Y CA 0.060 58.170 58.100 0.017 0.000 1.292 333 Y CB 0.516 38.989 38.460 0.022 0.000 1.070 333 Y HN -0.285 nan 8.280 nan 0.000 0.528 334 K N 0.568 121.065 120.400 0.162 0.000 3.069 334 K HA -0.202 4.117 4.320 -0.001 0.000 0.267 334 K C -0.762 175.895 176.600 0.094 0.000 1.082 334 K CA 0.473 56.818 56.287 0.095 0.000 0.782 334 K CB -1.520 31.014 32.500 0.055 0.000 1.230 334 K HN 0.381 nan 8.250 nan 0.000 0.488 335 Q N 0.238 120.110 119.800 0.121 0.000 2.226 335 Q HA 0.441 4.781 4.340 -0.001 0.000 0.256 335 Q C -1.950 174.093 176.000 0.071 0.000 0.962 335 Q CA -1.718 54.129 55.803 0.074 0.000 0.887 335 Q CB 1.279 30.041 28.738 0.041 0.000 1.282 335 Q HN 0.051 nan 8.270 nan 0.000 0.449 336 P HA 0.243 nan 4.420 nan 0.000 0.276 336 P C -0.725 176.619 177.300 0.073 0.000 1.244 336 P CA -0.232 62.889 63.100 0.034 0.000 0.801 336 P CB 0.736 32.445 31.700 0.016 0.000 1.006 337 M N 2.456 122.023 119.600 -0.054 0.000 2.188 337 M HA 0.341 4.820 4.480 -0.001 0.000 0.357 337 M C -1.979 174.258 176.300 -0.106 0.000 1.204 337 M CA -1.925 53.294 55.300 -0.136 0.000 1.095 337 M CB 1.090 33.418 32.600 -0.454 0.000 1.604 337 M HN 0.217 nan 8.290 nan 0.000 0.464 338 P HA 0.171 nan 4.420 nan 0.000 0.274 338 P C -0.571 176.727 177.300 -0.003 0.000 1.256 338 P CA -0.459 62.588 63.100 -0.088 0.000 0.795 338 P CB 0.658 32.181 31.700 -0.295 0.000 1.038 339 V N 2.187 122.064 119.914 -0.063 0.000 2.572 339 V HA 0.045 4.165 4.120 -0.001 0.000 0.291 339 V C 0.942 177.093 176.094 0.094 0.000 1.039 339 V CA 0.104 62.412 62.300 0.013 0.000 1.055 339 V CB -0.194 31.571 31.823 -0.097 0.000 0.969 339 V HN 0.314 nan 8.190 nan 0.000 0.482 340 I N 6.112 126.749 120.570 0.112 0.000 2.365 340 I HA 0.397 4.567 4.170 -0.001 0.000 0.291 340 I C -0.102 176.005 176.117 -0.016 0.000 1.004 340 I CA 0.040 61.405 61.300 0.109 0.000 1.311 340 I CB 0.990 39.038 38.000 0.080 0.000 1.401 340 I HN 0.425 nan 8.210 nan 0.000 0.491 341 I N 5.382 125.922 120.570 -0.051 0.000 2.474 341 I HA 0.351 4.520 4.170 -0.001 0.000 0.294 341 I C -0.068 175.957 176.117 -0.152 0.000 1.005 341 I CA -0.356 60.812 61.300 -0.219 0.000 1.113 341 I CB 2.095 39.971 38.000 -0.206 0.000 1.289 341 I HN 0.578 nan 8.210 nan 0.000 0.436 342 S N 3.537 119.167 115.700 -0.116 0.000 2.513 342 S HA 0.466 4.935 4.470 -0.001 0.000 0.299 342 S C -0.618 173.983 174.600 0.000 0.000 1.087 342 S CA -0.822 57.384 58.200 0.009 0.000 1.012 342 S CB 1.790 65.121 63.200 0.218 0.000 1.044 342 S HN 0.621 nan 8.310 nan 0.000 0.485 343 E N 2.011 122.208 120.200 -0.005 0.000 2.360 343 E HA 0.241 4.590 4.350 -0.001 0.000 0.253 343 E C -0.721 175.924 176.600 0.074 0.000 1.189 343 E CA -0.343 56.056 56.400 -0.001 0.000 1.252 343 E CB 0.520 30.179 29.700 -0.068 0.000 1.408 343 E HN 0.567 nan 8.360 nan 0.000 0.464 344 S N 1.137 116.926 115.700 0.149 0.000 3.940 344 S HA 0.110 4.579 4.470 -0.001 0.000 0.210 344 S C 1.369 176.094 174.600 0.207 0.000 1.419 344 S CA -0.500 57.811 58.200 0.185 0.000 0.912 344 S CB 0.803 64.136 63.200 0.221 0.000 1.489 344 S HN 0.636 nan 8.310 nan 0.000 0.469 345 G N 2.632 111.536 108.800 0.173 0.000 2.453 345 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.215 345 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.215 345 G C 1.444 176.491 174.900 0.244 0.000 1.201 345 G CA 0.427 45.667 45.100 0.233 0.000 0.784 345 G HN 0.531 nan 8.290 nan 0.000 0.545 346 R N 0.143 120.764 120.500 0.202 0.000 2.094 346 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 346 R C 2.761 179.197 176.300 0.226 0.000 1.137 346 R CA 1.993 58.239 56.100 0.243 0.000 0.943 346 R CB -0.707 29.789 30.300 0.327 0.000 0.850 346 R HN 0.371 nan 8.270 nan 0.000 0.433 347 S N 0.312 116.127 115.700 0.191 0.000 2.383 347 S HA -0.100 4.369 4.470 -0.001 0.000 0.229 347 S C 1.979 176.695 174.600 0.192 0.000 1.030 347 S CA 1.164 59.468 58.200 0.173 0.000 1.002 347 S CB -0.175 63.100 63.200 0.125 0.000 0.829 347 S HN 0.365 nan 8.310 nan 0.000 0.467 348 L N 0.583 121.913 121.223 0.178 0.000 2.141 348 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 348 L C 2.558 179.485 176.870 0.096 0.000 1.094 348 L CA 1.716 56.624 54.840 0.114 0.000 0.763 348 L CB -0.578 41.517 42.059 0.060 0.000 0.908 348 L HN 0.565 nan 8.230 nan 0.000 0.437 349 T N -5.572 109.087 114.554 0.175 0.000 2.955 349 T HA 0.263 4.613 4.350 -0.001 0.000 0.251 349 T C 1.791 176.727 174.700 0.393 0.000 1.002 349 T CA 0.390 62.622 62.100 0.220 0.000 0.970 349 T CB 0.300 69.275 68.868 0.179 0.000 1.091 349 T HN 0.133 nan 8.240 nan 0.000 0.495 350 A N 2.155 125.178 122.820 0.337 0.000 1.865 350 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 350 A C 2.062 179.819 177.584 0.288 0.000 1.191 350 A CA 2.039 54.262 52.037 0.310 0.000 0.623 350 A CB -1.264 17.869 19.000 0.221 0.000 0.826 350 A HN 0.655 nan 8.150 nan 0.000 0.444 351 H N -0.815 118.442 119.070 0.311 0.000 2.491 351 H HA -0.086 4.469 4.556 -0.001 0.000 0.290 351 H C 1.865 177.407 175.328 0.356 0.000 1.050 351 H CA 1.379 57.663 56.048 0.394 0.000 1.309 351 H CB -0.204 29.809 29.762 0.419 0.000 1.392 351 H HN 0.877 nan 8.280 nan 0.000 0.554 352 H N -0.651 118.583 119.070 0.273 0.000 2.547 352 H HA 0.306 4.861 4.556 -0.001 0.000 0.272 352 H C 0.145 175.661 175.328 0.313 0.000 0.989 352 H CA 0.683 56.867 56.048 0.228 0.000 1.214 352 H CB 0.097 29.904 29.762 0.075 0.000 1.389 352 H HN 0.261 nan 8.280 nan 0.000 0.577 353 A N 1.119 123.762 122.820 -0.295 0.000 2.365 353 A HA 0.608 4.928 4.320 -0.001 0.000 0.318 353 A C -1.053 176.455 177.584 -0.126 0.000 1.091 353 A CA -0.604 51.227 52.037 -0.343 0.000 0.763 353 A CB 2.300 20.959 19.000 -0.570 0.000 1.248 353 A HN 0.122 nan 8.150 nan 0.000 0.442 354 V N 2.313 122.138 119.914 -0.147 0.000 2.638 354 V HA 0.433 4.552 4.120 -0.001 0.000 0.306 354 V C -0.887 175.062 176.094 -0.242 0.000 1.052 354 V CA -0.506 61.620 62.300 -0.290 0.000 0.885 354 V CB 1.635 33.230 31.823 -0.380 0.000 0.999 354 V HN 0.874 nan 8.190 nan 0.000 0.424 355 L N 6.161 127.243 121.223 -0.236 0.000 2.276 355 L HA 0.648 4.987 4.340 -0.001 0.000 0.286 355 L C -0.590 176.224 176.870 -0.094 0.000 1.061 355 L CA 0.434 55.182 54.840 -0.154 0.000 0.807 355 L CB 0.772 42.714 42.059 -0.196 0.000 1.177 355 L HN 0.545 nan 8.230 nan 0.000 0.429 356 I N 4.565 125.087 120.570 -0.079 0.000 2.404 356 I HA 0.567 4.736 4.170 -0.001 0.000 0.293 356 I C 0.111 176.216 176.117 -0.020 0.000 0.992 356 I CA -0.105 61.172 61.300 -0.040 0.000 1.149 356 I CB 1.755 39.737 38.000 -0.030 0.000 1.315 356 I HN 0.676 nan 8.210 nan 0.000 0.446 357 S N 4.130 119.834 115.700 0.008 0.000 2.776 357 S HA 0.532 5.001 4.470 -0.001 0.000 0.292 357 S C -1.502 173.140 174.600 0.069 0.000 1.187 357 S CA -0.863 57.345 58.200 0.013 0.000 0.834 357 S CB 1.732 64.900 63.200 -0.053 0.000 1.199 357 S HN 0.817 nan 8.310 nan 0.000 0.514 358 N N -0.181 118.575 118.700 0.092 0.000 2.384 358 N HA 0.616 5.355 4.740 -0.001 0.000 0.301 358 N C -1.285 174.316 175.510 0.152 0.000 1.133 358 N CA -0.897 52.240 53.050 0.145 0.000 0.853 358 N CB 1.457 40.035 38.487 0.151 0.000 1.241 358 N HN 0.253 nan 8.380 nan 0.000 0.502 359 V N 2.205 122.223 119.914 0.173 0.000 2.405 359 V HA 0.093 4.212 4.120 -0.001 0.000 0.264 359 V C 1.258 177.426 176.094 0.122 0.000 1.048 359 V CA -0.437 61.883 62.300 0.034 0.000 0.966 359 V CB -0.105 31.537 31.823 -0.302 0.000 1.015 359 V HN 0.775 nan 8.190 nan 0.000 0.477 360 I N 1.864 122.479 120.570 0.075 0.000 3.645 360 I HA 0.638 4.807 4.170 -0.001 0.000 0.300 360 I C 0.886 177.021 176.117 0.030 0.000 1.260 360 I CA 0.395 61.775 61.300 0.132 0.000 1.365 360 I CB 0.308 38.375 38.000 0.112 0.000 1.077 360 I HN 0.605 nan 8.210 nan 0.000 0.439 361 G N 0.716 109.366 108.800 -0.250 0.000 2.606 361 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 361 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 361 G C -1.177 173.326 174.900 -0.660 0.000 1.360 361 G CA 0.083 44.824 45.100 -0.599 0.000 0.783 361 G HN 0.227 nan 8.290 nan 0.000 0.484 362 T N -2.149 112.053 114.554 -0.587 0.000 2.868 362 T HA 0.728 5.077 4.350 -0.001 0.000 0.306 362 T C -1.694 173.003 174.700 -0.004 0.000 1.224 362 T CA -0.818 61.120 62.100 -0.270 0.000 1.012 362 T CB 2.779 71.350 68.868 -0.494 0.000 1.221 362 T HN 0.368 nan 8.240 nan 0.000 0.499 363 E N 2.043 122.326 120.200 0.138 0.000 2.182 363 E HA 0.526 4.875 4.350 -0.001 0.000 0.258 363 E C -0.561 176.105 176.600 0.111 0.000 0.879 363 E CA -0.438 56.038 56.400 0.126 0.000 0.754 363 E CB 1.941 31.752 29.700 0.186 0.000 1.162 363 E HN 0.952 nan 8.360 nan 0.000 0.419 364 T N -0.161 114.455 114.554 0.104 0.000 2.916 364 T HA 0.422 4.771 4.350 -0.001 0.000 0.292 364 T C -0.665 174.119 174.700 0.140 0.000 1.055 364 T CA -0.832 61.346 62.100 0.130 0.000 1.009 364 T CB 1.212 70.160 68.868 0.134 0.000 1.118 364 T HN 0.311 nan 8.240 nan 0.000 0.497 365 Y N 2.753 123.088 120.300 0.059 0.000 2.350 365 Y HA 0.454 5.003 4.550 -0.001 0.000 0.340 365 Y C 0.239 176.131 175.900 -0.014 0.000 1.006 365 Y CA -0.960 57.157 58.100 0.028 0.000 1.166 365 Y CB 0.681 39.171 38.460 0.051 0.000 1.168 365 Y HN 0.838 nan 8.280 nan 0.000 0.502 366 K N 7.992 127.914 120.400 -0.797 0.000 2.234 366 K HA 0.508 4.828 4.320 -0.001 0.000 0.277 366 K C -3.003 172.913 176.600 -1.140 0.000 1.038 366 K CA -1.986 53.865 56.287 -0.727 0.000 0.888 366 K CB 1.089 33.389 32.500 -0.333 0.000 1.091 366 K HN 0.347 nan 8.250 nan 0.000 0.467 367 P HA -0.076 nan 4.420 nan 0.000 0.267 367 P C -0.878 176.189 177.300 -0.390 0.000 1.209 367 P CA 0.318 62.995 63.100 -0.704 0.000 0.763 367 P CB 0.752 32.031 31.700 -0.701 0.000 0.816 368 E N 2.121 122.151 120.200 -0.284 0.000 2.316 368 E HA 0.394 4.743 4.350 -0.001 0.000 0.258 368 E C -0.556 175.966 176.600 -0.130 0.000 0.952 368 E CA -0.839 55.459 56.400 -0.171 0.000 0.818 368 E CB 0.852 30.461 29.700 -0.152 0.000 1.260 368 E HN 0.331 nan 8.360 nan 0.000 0.416 369 T N -1.448 113.062 114.554 -0.073 0.000 2.869 369 T HA 0.272 4.621 4.350 -0.001 0.000 0.295 369 T C 0.343 174.987 174.700 -0.093 0.000 0.987 369 T CA -0.771 61.311 62.100 -0.030 0.000 1.109 369 T CB 0.607 69.501 68.868 0.045 0.000 0.932 369 T HN 0.280 nan 8.240 nan 0.000 0.518 370 V N 5.578 125.383 119.914 -0.182 0.000 2.415 370 V HA 0.236 4.356 4.120 -0.001 0.000 0.267 370 V C 1.374 177.567 176.094 0.165 0.000 1.042 370 V CA -0.463 61.717 62.300 -0.201 0.000 1.000 370 V CB -0.262 31.181 31.823 -0.633 0.000 1.015 370 V HN 1.169 nan 8.190 nan 0.000 0.478 371 T N 2.432 117.100 114.554 0.190 0.000 2.907 371 T HA 0.392 4.741 4.350 -0.001 0.000 0.298 371 T C 0.062 174.814 174.700 0.087 0.000 1.017 371 T CA -0.847 61.367 62.100 0.191 0.000 1.118 371 T CB 0.743 69.736 68.868 0.208 0.000 0.948 371 T HN 0.846 nan 8.240 nan 0.000 0.531 372 E N 2.383 122.364 120.200 -0.365 0.000 2.398 372 E HA 0.273 4.623 4.350 -0.001 0.000 0.263 372 E C -2.552 173.496 176.600 -0.919 0.000 1.046 372 E CA -1.885 53.799 56.400 -1.193 0.000 0.908 372 E CB -0.547 28.567 29.700 -0.976 0.000 0.963 372 E HN 0.336 nan 8.360 nan 0.000 0.431 373 P HA -0.070 nan 4.420 nan 0.000 0.261 373 P C -0.759 175.822 177.300 -1.198 0.000 1.183 373 P CA 0.480 62.776 63.100 -1.338 0.000 0.761 373 P CB 0.414 31.612 31.700 -0.837 0.000 0.785 374 E N 1.811 121.049 120.200 -1.603 0.000 2.392 374 E HA -0.058 4.292 4.350 -0.001 0.000 0.259 374 E C 1.077 177.311 176.600 -0.610 0.000 1.108 374 E CA -0.277 55.600 56.400 -0.873 0.000 0.916 374 E CB 0.442 29.757 29.700 -0.642 0.000 0.989 374 E HN 0.411 nan 8.360 nan 0.000 0.432 375 E N 1.702 121.712 120.200 -0.315 0.000 2.233 375 E HA -0.268 4.081 4.350 -0.001 0.000 0.199 375 E C 1.271 177.816 176.600 -0.092 0.000 1.004 375 E CA 1.923 58.221 56.400 -0.171 0.000 0.819 375 E CB -0.133 29.502 29.700 -0.108 0.000 0.738 375 E HN 0.586 nan 8.360 nan 0.000 0.478 376 D N -1.200 119.169 120.400 -0.051 0.000 2.350 376 D HA -0.125 4.514 4.640 -0.001 0.000 0.216 376 D C 0.079 176.516 176.300 0.229 0.000 0.968 376 D CA 0.230 54.295 54.000 0.108 0.000 0.894 376 D CB -0.188 40.710 40.800 0.163 0.000 0.909 376 D HN 0.191 nan 8.370 nan 0.000 0.520 377 F N 0.626 120.451 119.950 -0.208 0.000 2.389 377 F HA 0.345 4.871 4.527 -0.002 0.000 0.337 377 F C -1.428 174.202 175.800 -0.283 0.000 1.112 377 F CA -2.691 55.093 58.000 -0.360 0.000 1.192 377 F CB 0.759 39.467 39.000 -0.486 0.000 1.185 377 F HN -0.093 nan 8.300 nan 0.000 0.552 378 P HA 0.139 nan 4.420 nan 0.000 0.276 378 P C 0.681 177.945 177.300 -0.059 0.000 1.244 378 P CA -0.319 62.712 63.100 -0.115 0.000 0.801 378 P CB 1.108 32.709 31.700 -0.164 0.000 1.006 379 L N 0.717 121.927 121.223 -0.021 0.000 2.034 379 L HA -0.267 4.072 4.340 -0.001 0.000 0.217 379 L C 2.401 179.286 176.870 0.026 0.000 1.077 379 L CA 1.606 56.453 54.840 0.011 0.000 0.769 379 L CB -0.788 41.280 42.059 0.015 0.000 0.890 379 L HN 0.343 nan 8.230 nan 0.000 0.435 380 L N -0.710 120.517 121.223 0.006 0.000 2.013 380 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 380 L C 2.239 179.148 176.870 0.065 0.000 1.073 380 L CA 1.927 56.783 54.840 0.026 0.000 0.753 380 L CB -0.493 41.568 42.059 0.004 0.000 0.890 380 L HN 0.106 nan 8.230 nan 0.000 0.432 381 L N -0.140 121.091 121.223 0.014 0.000 2.156 381 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 381 L C 2.336 179.319 176.870 0.188 0.000 1.095 381 L CA 1.266 56.155 54.840 0.082 0.000 0.770 381 L CB -1.061 40.859 42.059 -0.232 0.000 0.914 381 L HN 0.372 nan 8.230 nan 0.000 0.439 382 N N -0.024 118.752 118.700 0.128 0.000 2.149 382 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 382 N C 1.472 177.161 175.510 0.298 0.000 1.019 382 N CA 1.277 54.460 53.050 0.223 0.000 0.857 382 N CB -0.496 38.078 38.487 0.144 0.000 0.997 382 N HN 0.385 nan 8.380 nan 0.000 0.426 383 N N 1.254 120.075 118.700 0.202 0.000 2.149 383 N HA -0.082 4.658 4.740 -0.001 0.000 0.188 383 N C 1.819 177.458 175.510 0.215 0.000 1.019 383 N CA 0.930 54.084 53.050 0.173 0.000 0.857 383 N CB -0.309 38.244 38.487 0.110 0.000 0.997 383 N HN 0.355 nan 8.380 nan 0.000 0.426 384 M N -0.924 118.846 119.600 0.283 0.000 2.132 384 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 384 M C 2.161 178.725 176.300 0.439 0.000 1.065 384 M CA 1.094 56.580 55.300 0.310 0.000 1.122 384 M CB -0.284 32.511 32.600 0.324 0.000 1.365 384 M HN 0.328 nan 8.290 nan 0.000 0.411 385 W N 1.998 123.550 121.300 0.419 0.000 2.317 385 W HA -0.269 4.391 4.660 0.001 0.000 0.318 385 W C 2.090 178.800 176.519 0.319 0.000 1.227 385 W CA 1.696 59.303 57.345 0.437 0.000 1.269 385 W CB -0.368 29.334 29.460 0.402 0.000 1.155 385 W HN 0.170 nan 8.180 nan 0.000 0.484 386 R N 0.262 120.873 120.500 0.186 0.000 2.105 386 R HA -0.148 4.192 4.340 -0.001 0.000 0.239 386 R C 2.490 178.783 176.300 -0.012 0.000 1.135 386 R CA 2.040 58.140 56.100 -0.001 0.000 0.967 386 R CB -0.740 29.601 30.300 0.068 0.000 0.861 386 R HN 0.088 nan 8.270 nan 0.000 0.442 387 S N 0.466 116.210 115.700 0.074 0.000 2.359 387 S HA -0.205 4.265 4.470 -0.001 0.000 0.224 387 S C 1.382 176.012 174.600 0.050 0.000 1.035 387 S CA 1.229 59.462 58.200 0.054 0.000 1.018 387 S CB -0.429 62.822 63.200 0.085 0.000 0.876 387 S HN 0.561 nan 8.310 nan 0.000 0.448 388 W N 2.435 123.681 121.300 -0.089 0.000 2.338 388 W HA -0.125 4.535 4.660 0.000 0.000 0.304 388 W C 1.341 177.745 176.519 -0.191 0.000 1.212 388 W CA 0.991 58.263 57.345 -0.123 0.000 1.264 388 W CB -0.344 29.064 29.460 -0.087 0.000 1.142 388 W HN 0.272 nan 8.180 nan 0.000 0.512 389 L N 1.187 122.127 121.223 -0.472 0.000 2.201 389 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 389 L C 1.640 178.339 176.870 -0.284 0.000 1.105 389 L CA 1.025 55.536 54.840 -0.548 0.000 0.775 389 L CB -0.977 40.785 42.059 -0.496 0.000 0.913 389 L HN -0.078 nan 8.230 nan 0.000 0.440 390 N N 0.261 118.835 118.700 -0.210 0.000 2.398 390 N HA 0.062 4.801 4.740 -0.001 0.000 0.188 390 N C 0.070 175.357 175.510 -0.371 0.000 1.122 390 N CA 0.232 53.184 53.050 -0.163 0.000 0.866 390 N CB 0.269 38.686 38.487 -0.117 0.000 0.970 390 N HN 0.114 nan 8.380 nan 0.000 0.462 391 L N 1.603 122.610 121.223 -0.360 0.000 2.280 391 L HA 0.360 4.699 4.340 -0.001 0.000 0.287 391 L C -0.598 176.041 176.870 -0.385 0.000 1.023 391 L CA -0.487 54.126 54.840 -0.378 0.000 0.819 391 L CB 0.103 42.041 42.059 -0.202 0.000 1.212 391 L HN 0.302 nan 8.230 nan 0.000 0.420 392 H N 0.763 119.725 119.070 -0.179 0.000 2.863 392 H HA 0.380 4.935 4.556 -0.001 0.000 0.274 392 H C 0.101 175.376 175.328 -0.088 0.000 1.457 392 H CA -0.626 55.327 56.048 -0.159 0.000 1.151 392 H CB 0.066 29.716 29.762 -0.186 0.000 1.844 392 H HN 0.315 nan 8.280 nan 0.000 0.562 393 N N -0.947 117.838 118.700 0.141 0.000 2.334 393 N HA -0.078 4.661 4.740 -0.001 0.000 0.187 393 N C 1.461 177.049 175.510 0.129 0.000 1.016 393 N CA 1.496 54.604 53.050 0.095 0.000 0.879 393 N CB -0.071 38.453 38.487 0.062 0.000 0.965 393 N HN 0.716 nan 8.380 nan 0.000 0.438 394 G N -0.879 108.123 108.800 0.337 0.000 3.088 394 G HA2 0.011 3.970 3.960 -0.001 0.000 0.217 394 G HA3 0.011 3.970 3.960 -0.001 0.000 0.217 394 G C 0.039 174.979 174.900 0.067 0.000 1.159 394 G CA -0.199 45.031 45.100 0.217 0.000 0.760 394 G HN 0.097 nan 8.290 nan 0.000 0.550 395 T N 2.199 116.670 114.554 -0.139 0.000 2.794 395 T HA 0.355 4.704 4.350 -0.001 0.000 0.296 395 T C 0.118 174.777 174.700 -0.067 0.000 0.949 395 T CA -0.379 61.600 62.100 -0.201 0.000 1.101 395 T CB 1.284 69.958 68.868 -0.323 0.000 0.905 395 T HN 0.482 nan 8.240 nan 0.000 0.516 396 D N 2.139 122.521 120.400 -0.030 0.000 2.398 396 D HA 0.441 5.081 4.640 -0.001 0.000 0.247 396 D C 1.410 177.741 176.300 0.051 0.000 1.227 396 D CA -0.545 53.463 54.000 0.013 0.000 0.980 396 D CB 0.474 41.282 40.800 0.012 0.000 1.106 396 D HN 0.362 nan 8.370 nan 0.000 0.493 397 A N 0.244 123.120 122.820 0.092 0.000 1.902 397 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 397 A C 2.214 179.917 177.584 0.199 0.000 1.181 397 A CA 1.629 53.788 52.037 0.204 0.000 0.623 397 A CB -0.762 18.286 19.000 0.079 0.000 0.818 397 A HN 0.590 nan 8.150 nan 0.000 0.443 398 R N -0.705 119.836 120.500 0.068 0.000 2.083 398 R HA -0.098 4.241 4.340 -0.001 0.000 0.237 398 R C 2.364 178.684 176.300 0.035 0.000 1.137 398 R CA 1.441 57.555 56.100 0.023 0.000 0.951 398 R CB -0.418 29.866 30.300 -0.028 0.000 0.851 398 R HN 0.499 nan 8.270 nan 0.000 0.434 399 A N 0.336 123.167 122.820 0.018 0.000 2.121 399 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 399 A C 2.007 179.591 177.584 0.000 0.000 1.154 399 A CA 0.916 52.952 52.037 -0.001 0.000 0.679 399 A CB -0.365 18.618 19.000 -0.027 0.000 0.795 399 A HN 0.225 nan 8.150 nan 0.000 0.458 400 L N -0.754 120.475 121.223 0.010 0.000 2.056 400 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 400 L C 2.359 179.251 176.870 0.036 0.000 1.078 400 L CA 1.074 55.904 54.840 -0.017 0.000 0.749 400 L CB -0.471 41.528 42.059 -0.100 0.000 0.901 400 L HN 0.364 nan 8.230 nan 0.000 0.433 401 I N -0.242 120.372 120.570 0.074 0.000 2.179 401 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 401 I C 2.580 178.781 176.117 0.139 0.000 1.088 401 I CA 1.355 62.730 61.300 0.125 0.000 1.357 401 I CB -0.325 37.748 38.000 0.122 0.000 1.051 401 I HN 0.300 nan 8.210 nan 0.000 0.409 402 E N 1.229 121.477 120.200 0.079 0.000 2.130 402 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 402 E C 2.242 178.886 176.600 0.073 0.000 0.998 402 E CA 1.411 57.847 56.400 0.060 0.000 0.806 402 E CB -0.000 29.716 29.700 0.027 0.000 0.738 402 E HN 0.495 nan 8.360 nan 0.000 0.459 403 I N -0.255 120.365 120.570 0.083 0.000 2.406 403 I HA -0.195 3.974 4.170 -0.001 0.000 0.249 403 I C 2.123 178.328 176.117 0.146 0.000 1.122 403 I CA 0.423 61.772 61.300 0.081 0.000 1.431 403 I CB -0.241 37.788 38.000 0.047 0.000 1.087 403 I HN 0.210 nan 8.210 nan 0.000 0.424 404 Y N 2.600 122.940 120.300 0.068 0.000 2.081 404 Y HA -0.344 4.206 4.550 -0.001 0.000 0.280 404 Y C 2.406 178.378 175.900 0.119 0.000 1.163 404 Y CA 1.872 60.048 58.100 0.126 0.000 1.135 404 Y CB -0.456 38.053 38.460 0.080 0.000 0.970 404 Y HN 0.198 nan 8.280 nan 0.000 0.498 405 N N 0.461 119.180 118.700 0.033 0.000 2.120 405 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 405 N C 1.402 176.883 175.510 -0.049 0.000 1.024 405 N CA 1.637 54.653 53.050 -0.057 0.000 0.852 405 N CB -0.632 37.871 38.487 0.027 0.000 1.003 405 N HN 0.446 nan 8.380 nan 0.000 0.424 406 D N -0.051 120.348 120.400 -0.001 0.000 2.144 406 D HA -0.075 4.565 4.640 -0.001 0.000 0.199 406 D C 1.689 177.984 176.300 -0.008 0.000 0.984 406 D CA 1.099 55.102 54.000 0.004 0.000 0.834 406 D CB -0.495 40.319 40.800 0.023 0.000 0.955 406 D HN 0.240 nan 8.370 nan 0.000 0.465 407 T N 0.934 115.479 114.554 -0.014 0.000 2.812 407 T HA -0.099 4.250 4.350 -0.001 0.000 0.264 407 T C 1.956 176.638 174.700 -0.029 0.000 1.042 407 T CA 0.797 62.876 62.100 -0.035 0.000 1.140 407 T CB -0.059 68.772 68.868 -0.062 0.000 0.870 407 T HN 0.212 nan 8.240 nan 0.000 0.445 408 Q N 0.927 120.703 119.800 -0.040 0.000 2.061 408 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 408 Q C 2.731 178.716 176.000 -0.026 0.000 0.984 408 Q CA 1.586 57.365 55.803 -0.041 0.000 0.846 408 Q CB -0.344 28.268 28.738 -0.209 0.000 0.902 408 Q HN 0.436 nan 8.270 nan 0.000 0.421 409 S N 1.271 116.950 115.700 -0.035 0.000 2.370 409 S HA -0.154 4.316 4.470 -0.001 0.000 0.226 409 S C 1.446 176.044 174.600 -0.003 0.000 1.033 409 S CA 1.408 59.602 58.200 -0.010 0.000 1.011 409 S CB -0.280 62.916 63.200 -0.007 0.000 0.852 409 S HN 0.327 nan 8.310 nan 0.000 0.457 410 D N 1.206 121.602 120.400 -0.007 0.000 2.097 410 D HA -0.054 4.585 4.640 -0.001 0.000 0.195 410 D C 1.918 178.196 176.300 -0.037 0.000 0.989 410 D CA 0.620 54.617 54.000 -0.005 0.000 0.827 410 D CB -0.508 40.297 40.800 0.010 0.000 0.966 410 D HN 0.178 nan 8.370 nan 0.000 0.456 411 L N 1.015 122.200 121.223 -0.064 0.000 2.042 411 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 411 L C 2.133 178.913 176.870 -0.151 0.000 1.076 411 L CA 1.716 56.461 54.840 -0.158 0.000 0.749 411 L CB -0.881 41.114 42.059 -0.108 0.000 0.893 411 L HN -0.020 nan 8.230 nan 0.000 0.432 412 A N -1.109 121.708 122.820 -0.004 0.000 1.972 412 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 412 A C 2.325 179.947 177.584 0.062 0.000 1.169 412 A CA 1.762 53.847 52.037 0.080 0.000 0.635 412 A CB -0.623 18.419 19.000 0.071 0.000 0.810 412 A HN 0.614 nan 8.150 nan 0.000 0.446 413 E N -0.320 119.893 120.200 0.022 0.000 2.107 413 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 413 E C 1.786 178.405 176.600 0.032 0.000 0.982 413 E CA 1.053 57.472 56.400 0.032 0.000 0.809 413 E CB -0.077 29.636 29.700 0.021 0.000 0.756 413 E HN 0.301 nan 8.360 nan 0.000 0.459 414 V N 0.761 120.662 119.914 -0.023 0.000 2.287 414 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 414 V C 1.877 178.004 176.094 0.055 0.000 1.053 414 V CA 2.392 64.675 62.300 -0.028 0.000 1.027 414 V CB -0.747 30.997 31.823 -0.132 0.000 0.646 414 V HN 0.425 nan 8.190 nan 0.000 0.447 415 H N -0.483 118.637 119.070 0.083 0.000 2.387 415 H HA -0.128 4.427 4.556 -0.001 0.000 0.299 415 H C 2.517 177.925 175.328 0.134 0.000 1.090 415 H CA 1.483 57.591 56.048 0.100 0.000 1.332 415 H CB 0.001 29.799 29.762 0.059 0.000 1.386 415 H HN 0.362 nan 8.280 nan 0.000 0.516 416 S N 0.432 116.257 115.700 0.209 0.000 2.383 416 S HA -0.156 4.313 4.470 -0.001 0.000 0.227 416 S C 1.942 176.615 174.600 0.122 0.000 1.026 416 S CA 1.029 59.312 58.200 0.140 0.000 0.981 416 S CB -0.069 63.187 63.200 0.093 0.000 0.818 416 S HN 0.492 nan 8.310 nan 0.000 0.472 417 Q N -0.434 119.440 119.800 0.123 0.000 2.172 417 Q HA 0.000 4.340 4.340 -0.001 0.000 0.200 417 Q C 1.821 177.889 176.000 0.114 0.000 0.964 417 Q CA 0.869 56.728 55.803 0.094 0.000 0.855 417 Q CB -0.243 28.542 28.738 0.077 0.000 0.918 417 Q HN 0.579 nan 8.270 nan 0.000 0.444 418 F N 1.546 121.532 119.950 0.059 0.000 2.102 418 F HA -0.151 4.374 4.527 -0.003 0.000 0.298 418 F C 2.201 178.030 175.800 0.048 0.000 1.105 418 F CA 1.368 59.404 58.000 0.060 0.000 1.239 418 F CB -0.246 38.805 39.000 0.086 0.000 0.991 418 F HN -0.006 nan 8.300 nan 0.000 0.474 419 A N -0.659 122.254 122.820 0.155 0.000 2.076 419 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 419 A C 1.948 179.503 177.584 -0.049 0.000 1.160 419 A CA 2.117 54.187 52.037 0.055 0.000 0.653 419 A CB -1.446 17.623 19.000 0.115 0.000 0.801 419 A HN 0.530 nan 8.150 nan 0.000 0.455 420 T N -5.361 109.163 114.554 -0.050 0.000 3.054 420 T HA 0.449 4.798 4.350 -0.001 0.000 0.255 420 T C 1.185 175.829 174.700 -0.093 0.000 1.035 420 T CA 0.944 63.011 62.100 -0.056 0.000 0.941 420 T CB 0.337 69.195 68.868 -0.017 0.000 1.026 420 T HN 1.648 nan 8.240 nan 0.000 0.533 421 G N 0.651 109.350 108.800 -0.168 0.000 2.132 421 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.234 421 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.234 421 G C 0.692 175.530 174.900 -0.102 0.000 0.989 421 G CA 0.111 45.105 45.100 -0.177 0.000 0.676 421 G HN 0.491 nan 8.290 nan 0.000 0.522 422 V N -0.146 119.733 119.914 -0.058 0.000 2.446 422 V HA 0.296 4.415 4.120 -0.001 0.000 0.244 422 V C 1.593 177.707 176.094 0.033 0.000 1.039 422 V CA 1.516 63.813 62.300 -0.006 0.000 1.045 422 V CB -0.069 31.762 31.823 0.013 0.000 0.681 422 V HN 0.395 nan 8.190 nan 0.000 0.459 423 L N 0.473 121.732 121.223 0.060 0.000 2.334 423 L HA 0.446 4.785 4.340 -0.001 0.000 0.273 423 L C 0.465 177.443 176.870 0.179 0.000 1.013 423 L CA -0.448 54.509 54.840 0.195 0.000 0.816 423 L CB 2.072 44.281 42.059 0.250 0.000 1.278 423 L HN 0.246 nan 8.230 nan 0.000 0.431 424 T N -1.146 113.468 114.554 0.101 0.000 2.828 424 T HA 0.131 4.480 4.350 -0.001 0.000 0.290 424 T C 1.019 175.841 174.700 0.203 0.000 1.019 424 T CA -0.679 61.422 62.100 0.002 0.000 1.031 424 T CB 1.154 69.838 68.868 -0.307 0.000 1.001 424 T HN 0.438 nan 8.240 nan 0.000 0.531 425 L N 1.133 122.523 121.223 0.278 0.000 2.013 425 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 425 L C 2.558 179.430 176.870 0.004 0.000 1.073 425 L CA 1.937 56.873 54.840 0.161 0.000 0.753 425 L CB -1.272 40.864 42.059 0.128 0.000 0.890 425 L HN 0.895 nan 8.230 nan 0.000 0.432 426 E N -1.497 118.673 120.200 -0.049 0.000 2.085 426 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 426 E C 2.005 178.599 176.600 -0.010 0.000 0.994 426 E CA 1.740 58.108 56.400 -0.053 0.000 0.801 426 E CB -0.373 29.273 29.700 -0.090 0.000 0.743 426 E HN 0.713 nan 8.360 nan 0.000 0.453 427 H N -0.017 118.992 119.070 -0.103 0.000 2.319 427 H HA -0.109 4.447 4.556 0.001 0.000 0.299 427 H C 2.386 177.694 175.328 -0.033 0.000 1.092 427 H CA 1.279 57.208 56.048 -0.199 0.000 1.302 427 H CB -0.014 29.615 29.762 -0.223 0.000 1.373 427 H HN 0.007 nan 8.280 nan 0.000 0.497 428 R N 1.146 121.715 120.500 0.114 0.000 2.094 428 R HA -0.198 4.142 4.340 -0.001 0.000 0.239 428 R C 2.531 178.829 176.300 -0.002 0.000 1.137 428 R CA 1.439 57.541 56.100 0.005 0.000 0.943 428 R CB -0.402 29.780 30.300 -0.196 0.000 0.850 428 R HN 0.305 nan 8.270 nan 0.000 0.433 429 A N 0.483 123.304 122.820 0.002 0.000 1.869 429 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 429 A C 2.035 179.655 177.584 0.059 0.000 1.203 429 A CA 1.734 53.783 52.037 0.021 0.000 0.638 429 A CB -1.479 17.541 19.000 0.033 0.000 0.831 429 A HN 0.781 nan 8.150 nan 0.000 0.450 430 W N 0.381 121.654 121.300 -0.044 0.000 2.318 430 W HA -0.201 4.458 4.660 -0.002 0.000 0.313 430 W C 2.519 179.011 176.519 -0.046 0.000 1.221 430 W CA 2.776 60.107 57.345 -0.022 0.000 1.266 430 W CB -0.208 29.248 29.460 -0.007 0.000 1.150 430 W HN 0.387 nan 8.180 nan 0.000 0.496 431 A N -0.080 122.851 122.820 0.185 0.000 1.930 431 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 431 A C 1.804 179.276 177.584 -0.188 0.000 1.175 431 A CA 1.843 53.890 52.037 0.017 0.000 0.627 431 A CB -0.789 18.259 19.000 0.080 0.000 0.815 431 A HN 0.488 nan 8.150 nan 0.000 0.443 432 E N -0.526 119.594 120.200 -0.134 0.000 2.028 432 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 432 E C 2.260 178.757 176.600 -0.171 0.000 0.988 432 E CA 1.170 57.498 56.400 -0.120 0.000 0.799 432 E CB -0.183 29.499 29.700 -0.030 0.000 0.755 432 E HN 0.487 nan 8.360 nan 0.000 0.447 433 Q N 0.144 119.832 119.800 -0.187 0.000 2.135 433 Q HA -0.118 4.222 4.340 -0.001 0.000 0.204 433 Q C 2.242 178.024 176.000 -0.364 0.000 0.981 433 Q CA 1.417 57.096 55.803 -0.206 0.000 0.856 433 Q CB -0.676 27.957 28.738 -0.174 0.000 0.902 433 Q HN 0.265 nan 8.270 nan 0.000 0.425 434 T N 0.760 114.964 114.554 -0.584 0.000 2.777 434 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 434 T C 2.116 176.517 174.700 -0.499 0.000 1.040 434 T CA 1.326 63.015 62.100 -0.684 0.000 1.141 434 T CB -0.127 68.127 68.868 -1.023 0.000 0.868 434 T HN 0.235 nan 8.240 nan 0.000 0.444 435 S N 1.452 116.874 115.700 -0.463 0.000 2.370 435 S HA -0.010 4.460 4.470 -0.001 0.000 0.226 435 S C 2.008 176.165 174.600 -0.737 0.000 1.033 435 S CA 0.928 58.755 58.200 -0.621 0.000 1.011 435 S CB -0.487 62.422 63.200 -0.485 0.000 0.852 435 S HN 0.363 nan 8.310 nan 0.000 0.457 436 L N 0.559 121.523 121.223 -0.431 0.000 2.093 436 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 436 L C 2.728 179.347 176.870 -0.419 0.000 1.085 436 L CA 1.009 55.596 54.840 -0.422 0.000 0.755 436 L CB -0.358 41.355 42.059 -0.576 0.000 0.904 436 L HN 0.183 nan 8.230 nan 0.000 0.435 437 R N 0.895 121.221 120.500 -0.290 0.000 2.073 437 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 437 R C 2.052 178.382 176.300 0.050 0.000 1.134 437 R CA 1.614 57.640 56.100 -0.125 0.000 0.952 437 R CB -0.607 29.445 30.300 -0.413 0.000 0.850 437 R HN 0.257 nan 8.270 nan 0.000 0.433 438 I N -0.384 120.153 120.570 -0.055 0.000 2.226 438 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 438 I C 1.662 177.868 176.117 0.148 0.000 1.100 438 I CA 1.144 62.509 61.300 0.108 0.000 1.374 438 I CB -0.356 37.611 38.000 -0.055 0.000 1.057 438 I HN 0.142 nan 8.210 nan 0.000 0.413 439 Y N -0.187 120.164 120.300 0.085 0.000 2.145 439 Y HA -0.311 4.238 4.550 -0.001 0.000 0.286 439 Y C 2.536 178.480 175.900 0.074 0.000 1.145 439 Y CA 1.180 59.325 58.100 0.075 0.000 1.148 439 Y CB -1.489 36.986 38.460 0.025 0.000 0.981 439 Y HN 0.173 nan 8.280 nan 0.000 0.507 440 Y N 1.253 121.621 120.300 0.113 0.000 2.165 440 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 440 Y C 2.151 178.134 175.900 0.137 0.000 1.155 440 Y CA 1.948 60.117 58.100 0.114 0.000 1.164 440 Y CB -0.031 38.532 38.460 0.172 0.000 0.978 440 Y HN 0.058 nan 8.280 nan 0.000 0.513 441 E N 0.207 120.593 120.200 0.310 0.000 2.072 441 E HA -0.144 4.205 4.350 -0.001 0.000 0.190 441 E C 2.387 179.021 176.600 0.057 0.000 0.982 441 E CA 1.039 57.558 56.400 0.199 0.000 0.803 441 E CB -0.620 29.269 29.700 0.316 0.000 0.755 441 E HN 0.531 nan 8.360 nan 0.000 0.453 442 L N 1.313 122.586 121.223 0.083 0.000 2.043 442 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 442 L C 2.298 179.122 176.870 -0.078 0.000 1.075 442 L CA 1.443 56.285 54.840 0.005 0.000 0.752 442 L CB -0.492 41.612 42.059 0.075 0.000 0.891 442 L HN 0.149 nan 8.230 nan 0.000 0.432 443 N N -0.085 118.570 118.700 -0.075 0.000 2.443 443 N HA -0.160 4.579 4.740 -0.001 0.000 0.184 443 N C 1.799 177.216 175.510 -0.155 0.000 1.037 443 N CA 1.057 54.026 53.050 -0.136 0.000 0.896 443 N CB 0.137 38.533 38.487 -0.151 0.000 0.959 443 N HN 0.205 nan 8.380 nan 0.000 0.442 444 R N -1.011 119.400 120.500 -0.149 0.000 2.206 444 R HA 0.256 4.595 4.340 -0.001 0.000 0.198 444 R C 1.739 177.998 176.300 -0.069 0.000 0.986 444 R CA 0.291 56.320 56.100 -0.119 0.000 1.029 444 R CB 0.148 30.376 30.300 -0.120 0.000 0.966 444 R HN 0.212 nan 8.270 nan 0.000 0.487 445 L N 0.157 121.340 121.223 -0.068 0.000 2.179 445 L HA 0.094 4.433 4.340 -0.001 0.000 0.208 445 L C 1.120 177.949 176.870 -0.068 0.000 1.096 445 L CA 0.510 55.317 54.840 -0.056 0.000 0.779 445 L CB -0.105 41.917 42.059 -0.060 0.000 0.922 445 L HN 0.138 nan 8.230 nan 0.000 0.443 446 M N -0.298 119.212 119.600 -0.149 0.000 2.226 446 M HA 0.054 4.533 4.480 -0.001 0.000 0.324 446 M C 0.380 176.704 176.300 0.039 0.000 1.112 446 M CA 0.401 55.567 55.300 -0.223 0.000 1.176 446 M CB 1.068 33.387 32.600 -0.469 0.000 1.430 446 M HN 0.018 nan 8.290 nan 0.000 0.462 447 S N -0.292 115.593 115.700 0.308 0.000 2.500 447 S HA 0.351 4.821 4.470 -0.001 0.000 0.301 447 S C 0.713 175.383 174.600 0.116 0.000 1.092 447 S CA -0.729 57.565 58.200 0.156 0.000 1.030 447 S CB 1.362 64.633 63.200 0.118 0.000 1.031 447 S HN 0.795 nan 8.310 nan 0.000 0.483 448 T N 1.926 116.503 114.554 0.038 0.000 3.113 448 T HA 0.141 4.490 4.350 -0.001 0.000 0.263 448 T C 1.097 175.787 174.700 -0.017 0.000 1.143 448 T CA 0.589 62.693 62.100 0.005 0.000 1.090 448 T CB -0.223 68.636 68.868 -0.014 0.000 0.922 448 T HN 0.484 nan 8.240 nan 0.000 0.521 449 K N 1.295 121.685 120.400 -0.017 0.000 2.393 449 K HA 0.243 4.562 4.320 -0.001 0.000 0.193 449 K C 0.541 177.098 176.600 -0.072 0.000 1.026 449 K CA -0.148 56.115 56.287 -0.040 0.000 1.064 449 K CB 0.078 32.561 32.500 -0.028 0.000 0.833 449 K HN 0.268 nan 8.250 nan 0.000 0.521 450 N N 1.171 119.821 118.700 -0.082 0.000 2.414 450 N HA 0.030 4.769 4.740 -0.001 0.000 0.256 450 N C 0.754 176.149 175.510 -0.193 0.000 1.029 450 N CA -0.006 52.936 53.050 -0.180 0.000 0.948 450 N CB 0.874 39.137 38.487 -0.374 0.000 1.102 450 N HN 0.033 nan 8.380 nan 0.000 0.496 451 R N 3.425 123.747 120.500 -0.296 0.000 2.105 451 R HA -0.132 4.207 4.340 -0.001 0.000 0.239 451 R C 0.573 176.638 176.300 -0.392 0.000 1.135 451 R CA 1.692 57.549 56.100 -0.405 0.000 0.967 451 R CB -0.180 29.745 30.300 -0.625 0.000 0.861 451 R HN 0.532 nan 8.270 nan 0.000 0.442 452 F N -0.492 119.404 119.950 -0.091 0.000 2.615 452 F HA 0.058 4.584 4.527 -0.001 0.000 0.297 452 F C 2.070 177.903 175.800 0.054 0.000 1.124 452 F CA 0.493 58.473 58.000 -0.034 0.000 1.451 452 F CB -0.208 38.770 39.000 -0.037 0.000 1.103 452 F HN 0.079 nan 8.300 nan 0.000 0.569 453 H N 0.090 119.207 119.070 0.078 0.000 2.403 453 H HA 0.102 4.658 4.556 -0.001 0.000 0.298 453 H C 2.184 177.482 175.328 -0.049 0.000 1.059 453 H CA 0.650 56.699 56.048 0.002 0.000 1.363 453 H CB -0.319 29.435 29.762 -0.013 0.000 1.410 453 H HN 0.159 nan 8.280 nan 0.000 0.528 454 R N 0.130 120.671 120.500 0.069 0.000 2.113 454 R HA -0.129 4.211 4.340 -0.001 0.000 0.244 454 R C -0.596 175.692 176.300 -0.021 0.000 1.142 454 R CA 1.792 57.892 56.100 -0.000 0.000 0.953 454 R CB -1.409 28.871 30.300 -0.033 0.000 0.860 454 R HN 0.386 nan 8.270 nan 0.000 0.438 455 P HA -0.137 nan 4.420 nan 0.000 0.216 455 P C 1.339 178.604 177.300 -0.059 0.000 1.150 455 P CA 1.221 64.311 63.100 -0.017 0.000 0.837 455 P CB -0.173 31.536 31.700 0.016 0.000 0.786 456 I N -0.973 119.537 120.570 -0.100 0.000 2.315 456 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 456 I C 2.488 178.448 176.117 -0.261 0.000 1.117 456 I CA 1.126 62.258 61.300 -0.279 0.000 1.404 456 I CB -1.679 36.068 38.000 -0.422 0.000 1.071 456 I HN -0.040 nan 8.210 nan 0.000 0.419 457 L N 0.283 121.410 121.223 -0.160 0.000 2.141 457 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 457 L C 2.156 178.959 176.870 -0.111 0.000 1.094 457 L CA 0.998 55.757 54.840 -0.136 0.000 0.763 457 L CB -0.526 41.481 42.059 -0.086 0.000 0.908 457 L HN 0.172 nan 8.230 nan 0.000 0.437 458 D N 0.100 120.447 120.400 -0.088 0.000 2.097 458 D HA -0.189 4.451 4.640 -0.001 0.000 0.195 458 D C 2.092 178.346 176.300 -0.076 0.000 0.989 458 D CA 1.141 55.101 54.000 -0.067 0.000 0.827 458 D CB -0.063 40.709 40.800 -0.045 0.000 0.966 458 D HN 0.316 nan 8.370 nan 0.000 0.456 459 E N 0.076 120.220 120.200 -0.093 0.000 2.058 459 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 459 E C 2.325 178.857 176.600 -0.114 0.000 0.997 459 E CA 0.582 56.933 56.400 -0.083 0.000 0.801 459 E CB -0.144 29.523 29.700 -0.053 0.000 0.746 459 E HN 0.245 nan 8.360 nan 0.000 0.450 460 L N 0.348 121.471 121.223 -0.167 0.000 2.141 460 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 460 L C 2.614 179.424 176.870 -0.100 0.000 1.094 460 L CA 0.537 55.283 54.840 -0.158 0.000 0.763 460 L CB -0.250 41.704 42.059 -0.175 0.000 0.908 460 L HN 0.089 nan 8.230 nan 0.000 0.437 461 S N -0.411 115.235 115.700 -0.091 0.000 2.399 461 S HA -0.200 4.270 4.470 -0.001 0.000 0.231 461 S C 1.817 176.378 174.600 -0.065 0.000 1.022 461 S CA 1.478 59.634 58.200 -0.073 0.000 0.983 461 S CB -0.013 63.145 63.200 -0.071 0.000 0.803 461 S HN 0.465 nan 8.310 nan 0.000 0.480 462 E N 0.148 120.310 120.200 -0.062 0.000 2.051 462 E HA -0.055 4.295 4.350 -0.001 0.000 0.189 462 E C 2.233 178.805 176.600 -0.047 0.000 0.979 462 E CA 0.710 57.080 56.400 -0.050 0.000 0.803 462 E CB -0.154 29.524 29.700 -0.036 0.000 0.761 462 E HN 0.193 nan 8.360 nan 0.000 0.451 463 R N 1.026 121.487 120.500 -0.064 0.000 2.170 463 R HA -0.115 4.225 4.340 -0.001 0.000 0.242 463 R C 1.409 177.696 176.300 -0.022 0.000 1.145 463 R CA 1.333 57.393 56.100 -0.067 0.000 0.984 463 R CB -0.153 30.050 30.300 -0.162 0.000 0.869 463 R HN 0.180 nan 8.270 nan 0.000 0.455 464 L N -0.521 120.697 121.223 -0.009 0.000 2.766 464 L HA 0.464 4.804 4.340 -0.001 0.000 0.242 464 L C 0.496 177.397 176.870 0.052 0.000 1.136 464 L CA -0.193 54.677 54.840 0.050 0.000 0.933 464 L CB 0.201 42.309 42.059 0.082 0.000 1.241 464 L HN 0.093 nan 8.230 nan 0.000 0.522 465 A N 0.231 123.046 122.820 -0.008 0.000 2.483 465 A HA 0.151 4.471 4.320 -0.001 0.000 0.238 465 A C -0.314 177.247 177.584 -0.037 0.000 1.070 465 A CA -0.153 51.851 52.037 -0.055 0.000 0.770 465 A CB 0.036 18.972 19.000 -0.108 0.000 1.008 465 A HN 0.137 nan 8.150 nan 0.000 0.497 466 D N 1.361 121.708 120.400 -0.088 0.000 2.350 466 D HA 0.257 4.896 4.640 -0.001 0.000 0.249 466 D C -0.123 176.099 176.300 -0.131 0.000 1.119 466 D CA 0.362 54.331 54.000 -0.053 0.000 0.886 466 D CB 0.751 41.537 40.800 -0.023 0.000 1.195 466 D HN 0.385 nan 8.370 nan 0.000 0.437 467 K N 1.630 122.008 120.400 -0.036 0.000 2.312 467 K HA 0.240 4.560 4.320 -0.001 0.000 0.287 467 K C -0.570 176.049 176.600 0.031 0.000 1.062 467 K CA -0.387 55.831 56.287 -0.116 0.000 0.934 467 K CB 0.705 33.097 32.500 -0.179 0.000 1.027 467 K HN 0.196 nan 8.250 nan 0.000 0.478 468 F N 3.126 122.868 119.950 -0.347 0.000 2.411 468 F HA 0.330 4.857 4.527 -0.001 0.000 0.352 468 F C -0.192 175.413 175.800 -0.326 0.000 1.123 468 F CA -1.479 56.337 58.000 -0.307 0.000 1.044 468 F CB 0.504 39.367 39.000 -0.228 0.000 1.135 468 F HN 0.334 nan 8.300 nan 0.000 0.461 469 F N 3.395 123.323 119.950 -0.037 0.000 2.391 469 F HA 0.454 4.980 4.527 -0.000 0.000 0.359 469 F C 0.077 175.899 175.800 0.036 0.000 1.122 469 F CA -0.728 57.280 58.000 0.014 0.000 1.120 469 F CB 1.017 39.991 39.000 -0.043 0.000 1.142 469 F HN -0.015 nan 8.300 nan 0.000 0.483 470 V N 3.216 123.305 119.914 0.292 0.000 2.439 470 V HA 0.181 4.300 4.120 -0.001 0.000 0.282 470 V C 0.205 176.505 176.094 0.345 0.000 1.039 470 V CA -1.019 61.455 62.300 0.289 0.000 0.913 470 V CB 1.495 33.494 31.823 0.292 0.000 0.983 470 V HN 0.574 nan 8.190 nan 0.000 0.460 471 N N 5.493 124.320 118.700 0.212 0.000 2.819 471 N HA 0.280 5.019 4.740 -0.001 0.000 0.284 471 N C -0.838 174.727 175.510 0.091 0.000 1.196 471 N CA 0.083 53.209 53.050 0.127 0.000 1.114 471 N CB -0.701 37.837 38.487 0.084 0.000 1.437 471 N HN 0.656 nan 8.380 nan 0.000 0.518 472 F N -1.327 118.484 119.950 -0.230 0.000 2.842 472 F HA 0.386 4.912 4.527 -0.001 0.000 0.319 472 F C -1.374 174.286 175.800 -0.233 0.000 1.159 472 F CA -1.217 56.568 58.000 -0.358 0.000 0.902 472 F CB 0.640 39.403 39.000 -0.394 0.000 1.311 472 F HN -0.054 nan 8.300 nan 0.000 0.453 473 S N 2.217 117.532 115.700 -0.641 0.000 2.530 473 S HA 0.404 4.874 4.470 -0.001 0.000 0.322 473 S C 0.253 174.346 174.600 -0.844 0.000 1.085 473 S CA -0.638 57.188 58.200 -0.623 0.000 1.096 473 S CB 1.405 64.554 63.200 -0.084 0.000 0.988 473 S HN 0.831 nan 8.310 nan 0.000 0.466 474 L N 5.469 126.068 121.223 -1.040 0.000 2.042 474 L HA 0.068 4.407 4.340 -0.001 0.000 0.210 474 L C 1.406 177.938 176.870 -0.563 0.000 1.076 474 L CA 2.092 56.445 54.840 -0.813 0.000 0.749 474 L CB -0.679 40.899 42.059 -0.801 0.000 0.893 474 L HN 0.827 nan 8.230 nan 0.000 0.432 475 F N -1.316 118.491 119.950 -0.238 0.000 2.407 475 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 475 F C 2.536 178.273 175.800 -0.105 0.000 1.097 475 F CA 1.089 58.981 58.000 -0.180 0.000 1.422 475 F CB -0.420 38.442 39.000 -0.231 0.000 1.067 475 F HN 0.244 nan 8.300 nan 0.000 0.539 476 Q N -0.332 119.495 119.800 0.045 0.000 2.304 476 Q HA 0.036 4.376 4.340 -0.001 0.000 0.204 476 Q C 1.776 177.770 176.000 -0.009 0.000 0.936 476 Q CA 1.623 57.456 55.803 0.050 0.000 0.878 476 Q CB -0.096 28.704 28.738 0.103 0.000 0.983 476 Q HN 0.086 nan 8.270 nan 0.000 0.516 477 S N -0.861 114.787 115.700 -0.086 0.000 2.511 477 S HA 0.297 4.767 4.470 -0.001 0.000 0.214 477 S C -0.135 174.359 174.600 -0.176 0.000 0.997 477 S CA -0.107 58.028 58.200 -0.108 0.000 0.908 477 S CB 0.678 63.817 63.200 -0.101 0.000 0.803 477 S HN 0.262 nan 8.310 nan 0.000 0.504 478 L N 1.670 122.787 121.223 -0.178 0.000 2.869 478 L HA 0.331 4.671 4.340 -0.001 0.000 0.320 478 L C -2.207 174.627 176.870 -0.061 0.000 1.306 478 L CA -1.090 53.617 54.840 -0.222 0.000 0.731 478 L CB 1.252 43.143 42.059 -0.278 0.000 1.123 478 L HN -0.116 nan 8.230 nan 0.000 0.553 479 P HA -0.123 nan 4.420 nan 0.000 0.218 479 P C 0.660 178.063 177.300 0.171 0.000 1.149 479 P CA 1.156 64.328 63.100 0.120 0.000 0.817 479 P CB 0.454 32.248 31.700 0.157 0.000 0.785 480 D N -0.516 119.975 120.400 0.150 0.000 2.178 480 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 480 D C 2.197 178.533 176.300 0.060 0.000 0.980 480 D CA 0.952 55.008 54.000 0.092 0.000 0.842 480 D CB -0.697 40.161 40.800 0.096 0.000 0.948 480 D HN 0.089 nan 8.370 nan 0.000 0.472 481 S N -0.465 115.348 115.700 0.188 0.000 2.359 481 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 481 S C 1.734 176.357 174.600 0.038 0.000 1.039 481 S CA 1.651 59.922 58.200 0.118 0.000 1.042 481 S CB -0.330 62.976 63.200 0.177 0.000 0.915 481 S HN 0.503 nan 8.310 nan 0.000 0.439 482 W N 1.712 122.928 121.300 -0.140 0.000 2.408 482 W HA 0.159 4.819 4.660 -0.001 0.000 0.311 482 W C 2.306 178.780 176.519 -0.074 0.000 1.190 482 W CA 1.307 58.561 57.345 -0.152 0.000 1.321 482 W CB -1.134 28.166 29.460 -0.267 0.000 1.143 482 W HN 0.261 nan 8.180 nan 0.000 0.501 483 G N 0.943 109.510 108.800 -0.389 0.000 2.448 483 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.218 483 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.218 483 G C 1.213 175.843 174.900 -0.449 0.000 1.135 483 G CA 1.209 45.886 45.100 -0.704 0.000 0.784 483 G HN 0.591 nan 8.290 nan 0.000 0.543 484 I N -4.582 115.818 120.570 -0.283 0.000 3.809 484 I HA 0.268 4.437 4.170 -0.001 0.000 0.325 484 I C -0.758 175.238 176.117 -0.201 0.000 1.447 484 I CA -0.331 60.832 61.300 -0.227 0.000 1.027 484 I CB 0.412 38.296 38.000 -0.194 0.000 1.567 484 I HN -0.183 nan 8.210 nan 0.000 0.616 485 D N 1.904 122.189 120.400 -0.191 0.000 2.751 485 D HA -0.235 4.404 4.640 -0.001 0.000 0.233 485 D C 0.414 176.582 176.300 -0.219 0.000 1.149 485 D CA 1.148 55.046 54.000 -0.169 0.000 0.682 485 D CB -0.659 40.053 40.800 -0.148 0.000 1.068 485 D HN 0.687 nan 8.370 nan 0.000 0.429 486 Q N 0.159 119.801 119.800 -0.264 0.000 2.337 486 Q HA 0.308 4.648 4.340 -0.001 0.000 0.270 486 Q C -0.636 175.028 176.000 -0.560 0.000 1.002 486 Q CA -0.083 55.431 55.803 -0.482 0.000 0.888 486 Q CB 1.107 29.521 28.738 -0.540 0.000 1.222 486 Q HN 0.107 nan 8.270 nan 0.000 0.400 487 V N 5.538 125.039 119.914 -0.688 0.000 2.481 487 V HA 0.492 4.611 4.120 -0.001 0.000 0.286 487 V C -0.623 174.978 176.094 -0.821 0.000 1.042 487 V CA -0.343 61.638 62.300 -0.533 0.000 0.928 487 V CB 0.554 32.179 31.823 -0.329 0.000 0.986 487 V HN 0.678 nan 8.190 nan 0.000 0.462 488 F N 4.247 124.102 119.950 -0.158 0.000 2.551 488 F HA 0.570 5.097 4.527 -0.001 0.000 0.316 488 F C -2.358 173.323 175.800 -0.197 0.000 1.089 488 F CA -2.664 55.269 58.000 -0.112 0.000 0.915 488 F CB 1.910 40.905 39.000 -0.007 0.000 1.186 488 F HN 0.300 nan 8.300 nan 0.000 0.456 489 P HA 0.254 nan 4.420 nan 0.000 0.271 489 P C -1.206 175.980 177.300 -0.191 0.000 1.216 489 P CA -0.111 62.685 63.100 -0.506 0.000 0.771 489 P CB 0.817 31.534 31.700 -1.639 0.000 0.864 490 V N 4.515 124.337 119.914 -0.154 0.000 2.686 490 V HA 0.555 4.675 4.120 -0.001 0.000 0.306 490 V C -0.251 175.758 176.094 -0.143 0.000 1.065 490 V CA -0.515 61.655 62.300 -0.217 0.000 0.894 490 V CB 1.710 33.365 31.823 -0.279 0.000 1.004 490 V HN 0.363 nan 8.190 nan 0.000 0.424 491 L N 4.283 125.438 121.223 -0.114 0.000 2.556 491 L HA 0.537 4.877 4.340 -0.001 0.000 0.257 491 L C -2.908 173.931 176.870 -0.053 0.000 0.955 491 L CA -1.797 52.958 54.840 -0.142 0.000 0.850 491 L CB 3.399 45.272 42.059 -0.310 0.000 1.398 491 L HN 0.388 nan 8.230 nan 0.000 0.412 492 P HA 0.135 nan 4.420 nan 0.000 0.269 492 P C 0.390 177.661 177.300 -0.049 0.000 1.209 492 P CA -0.068 63.028 63.100 -0.006 0.000 0.776 492 P CB 0.673 32.377 31.700 0.008 0.000 0.876 493 L N -0.078 121.112 121.223 -0.054 0.000 2.446 493 L HA 0.110 4.450 4.340 -0.001 0.000 0.219 493 L C 0.727 177.585 176.870 -0.021 0.000 1.116 493 L CA 0.986 55.825 54.840 -0.003 0.000 0.844 493 L CB -0.027 42.048 42.059 0.026 0.000 0.970 493 L HN 0.347 nan 8.230 nan 0.000 0.457 494 S N -1.637 114.011 115.700 -0.088 0.000 2.627 494 S HA 0.596 5.065 4.470 -0.001 0.000 0.283 494 S C 0.451 174.998 174.600 -0.088 0.000 1.127 494 S CA -0.056 58.102 58.200 -0.071 0.000 0.863 494 S CB 1.941 65.091 63.200 -0.084 0.000 1.121 494 S HN 0.294 nan 8.310 nan 0.000 0.479 495 G N 0.801 109.579 108.800 -0.036 0.000 2.225 495 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.267 495 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.267 495 G C 0.438 175.354 174.900 0.026 0.000 1.024 495 G CA 0.486 45.579 45.100 -0.013 0.000 0.784 495 G HN 0.624 nan 8.290 nan 0.000 0.507 496 L N 0.334 121.584 121.223 0.046 0.000 2.551 496 L HA -0.089 4.250 4.340 -0.001 0.000 0.228 496 L C 3.082 180.008 176.870 0.094 0.000 1.153 496 L CA 1.321 56.223 54.840 0.102 0.000 0.851 496 L CB -0.365 41.775 42.059 0.134 0.000 0.959 496 L HN 0.610 nan 8.230 nan 0.000 0.451 497 Q N 0.773 120.610 119.800 0.062 0.000 2.135 497 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 497 Q C 0.747 176.777 176.000 0.049 0.000 0.981 497 Q CA 1.991 57.823 55.803 0.048 0.000 0.856 497 Q CB -0.860 27.900 28.738 0.036 0.000 0.902 497 Q HN 0.530 nan 8.270 nan 0.000 0.425 498 N N 1.012 119.749 118.700 0.062 0.000 2.313 498 N HA 0.303 5.042 4.740 -0.001 0.000 0.207 498 N C 1.042 176.603 175.510 0.084 0.000 1.141 498 N CA 0.479 53.570 53.050 0.069 0.000 0.830 498 N CB 0.429 38.964 38.487 0.080 0.000 1.008 498 N HN 0.398 nan 8.380 nan 0.000 0.481 499 A N 0.516 123.387 122.820 0.085 0.000 2.234 499 A HA -0.037 4.282 4.320 -0.001 0.000 0.216 499 A C 2.057 179.647 177.584 0.010 0.000 1.167 499 A CA 1.421 53.508 52.037 0.084 0.000 0.698 499 A CB -0.409 18.644 19.000 0.088 0.000 0.779 499 A HN 0.376 nan 8.150 nan 0.000 0.475 500 A N -0.871 121.951 122.820 0.003 0.000 2.251 500 A HA 0.134 4.453 4.320 -0.001 0.000 0.209 500 A C 1.411 179.003 177.584 0.014 0.000 1.187 500 A CA 0.782 52.809 52.037 -0.017 0.000 0.823 500 A CB -0.226 18.758 19.000 -0.028 0.000 0.846 500 A HN 0.383 nan 8.150 nan 0.000 0.486 501 D N 0.641 121.072 120.400 0.053 0.000 2.103 501 D HA -0.091 4.548 4.640 -0.001 0.000 0.190 501 D C 1.059 177.400 176.300 0.069 0.000 0.997 501 D CA 1.269 55.316 54.000 0.078 0.000 0.833 501 D CB 0.098 40.975 40.800 0.128 0.000 0.961 501 D HN 0.487 nan 8.370 nan 0.000 0.447 502 R N -0.961 119.575 120.500 0.059 0.000 2.831 502 R HA 0.547 4.886 4.340 -0.001 0.000 0.266 502 R C -0.239 176.034 176.300 -0.045 0.000 1.051 502 R CA -0.786 55.330 56.100 0.028 0.000 0.943 502 R CB 1.880 32.217 30.300 0.061 0.000 1.228 502 R HN -0.143 nan 8.270 nan 0.000 0.467 503 R N 0.107 120.554 120.500 -0.088 0.000 2.589 503 R HA 0.737 5.076 4.340 -0.001 0.000 0.293 503 R C -0.921 175.207 176.300 -0.287 0.000 0.963 503 R CA -0.717 55.282 56.100 -0.168 0.000 0.905 503 R CB 2.220 32.442 30.300 -0.129 0.000 1.144 503 R HN 0.726 nan 8.270 nan 0.000 0.459 504 A N 1.763 124.315 122.820 -0.447 0.000 2.515 504 A HA 0.653 4.972 4.320 -0.001 0.000 0.296 504 A C -0.684 176.557 177.584 -0.572 0.000 1.094 504 A CA -0.750 50.908 52.037 -0.631 0.000 0.718 504 A CB 1.732 19.917 19.000 -1.359 0.000 1.307 504 A HN 0.472 nan 8.150 nan 0.000 0.408 505 V N -0.999 118.667 119.914 -0.413 0.000 2.667 505 V HA 0.822 4.941 4.120 -0.001 0.000 0.308 505 V C -0.411 175.609 176.094 -0.124 0.000 1.048 505 V CA -0.975 61.186 62.300 -0.232 0.000 0.928 505 V CB 1.597 33.387 31.823 -0.055 0.000 1.004 505 V HN 0.767 nan 8.190 nan 0.000 0.444 506 M N 4.695 124.357 119.600 0.104 0.000 2.238 506 M HA 0.653 5.133 4.480 -0.001 0.000 0.350 506 M C -0.893 175.491 176.300 0.140 0.000 1.138 506 M CA -0.499 54.899 55.300 0.165 0.000 1.040 506 M CB 0.871 33.669 32.600 0.330 0.000 1.639 506 M HN 0.679 nan 8.290 nan 0.000 0.451 507 L N 2.404 123.639 121.223 0.020 0.000 2.354 507 L HA 0.520 4.860 4.340 -0.001 0.000 0.269 507 L C 0.166 177.130 176.870 0.157 0.000 1.005 507 L CA -0.761 54.072 54.840 -0.012 0.000 0.819 507 L CB 1.752 43.616 42.059 -0.324 0.000 1.311 507 L HN 0.643 nan 8.230 nan 0.000 0.423 508 D N 1.093 121.574 120.400 0.135 0.000 2.466 508 D HA 0.202 4.842 4.640 -0.001 0.000 0.262 508 D C 0.693 177.067 176.300 0.123 0.000 1.177 508 D CA -0.418 53.622 54.000 0.066 0.000 1.035 508 D CB 0.884 41.431 40.800 -0.422 0.000 1.105 508 D HN 0.548 nan 8.370 nan 0.000 0.551 509 I N -2.913 117.663 120.570 0.011 0.000 3.812 509 I HA 0.160 4.329 4.170 -0.001 0.000 0.320 509 I C 0.543 176.696 176.117 0.060 0.000 1.276 509 I CA -0.432 60.901 61.300 0.056 0.000 1.164 509 I CB -0.609 37.364 38.000 -0.045 0.000 1.009 509 I HN 0.289 nan 8.210 nan 0.000 0.431 510 T N -1.989 112.600 114.554 0.057 0.000 2.899 510 T HA 0.126 4.475 4.350 -0.001 0.000 0.295 510 T C 0.475 175.230 174.700 0.091 0.000 1.033 510 T CA -0.522 61.660 62.100 0.136 0.000 1.084 510 T CB 1.458 70.404 68.868 0.132 0.000 0.979 510 T HN 0.281 nan 8.240 nan 0.000 0.532 511 C N 3.157 122.462 119.300 0.008 0.000 2.694 511 C HA 0.296 4.755 4.460 -0.001 0.000 0.455 511 C C 0.128 175.109 174.990 -0.015 0.000 1.293 511 C CA -0.242 58.770 59.018 -0.010 0.000 1.614 511 C CB -2.803 24.897 27.740 -0.066 0.000 2.015 511 C HN 0.883 nan 8.230 nan 0.000 0.608 512 D N -0.760 119.672 120.400 0.052 0.000 2.934 512 D HA 0.189 4.829 4.640 -0.001 0.000 0.230 512 D C 0.868 177.265 176.300 0.162 0.000 1.204 512 D CA -0.086 53.972 54.000 0.096 0.000 0.873 512 D CB 2.112 42.977 40.800 0.109 0.000 1.645 512 D HN 0.284 nan 8.370 nan 0.000 0.502 513 S N 2.280 118.064 115.700 0.141 0.000 2.399 513 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 513 S C 1.041 175.739 174.600 0.162 0.000 1.022 513 S CA 0.814 59.094 58.200 0.132 0.000 0.983 513 S CB 0.060 63.324 63.200 0.108 0.000 0.803 513 S HN 0.477 nan 8.310 nan 0.000 0.480 514 D N 1.924 122.465 120.400 0.235 0.000 2.347 514 D HA 0.119 4.758 4.640 -0.001 0.000 0.215 514 D C 1.108 177.503 176.300 0.158 0.000 0.976 514 D CA 0.512 54.675 54.000 0.272 0.000 0.884 514 D CB -0.483 40.578 40.800 0.434 0.000 0.915 514 D HN 0.507 nan 8.370 nan 0.000 0.526 515 G N 0.263 109.169 108.800 0.176 0.000 3.209 515 G HA2 0.485 4.444 3.960 -0.001 0.000 0.274 515 G HA3 0.485 4.444 3.960 -0.001 0.000 0.274 515 G C -0.368 174.538 174.900 0.010 0.000 0.850 515 G CA 0.032 45.120 45.100 -0.021 0.000 1.907 515 G HN 0.205 nan 8.290 nan 0.000 0.591 516 A N 2.138 124.967 122.820 0.016 0.000 2.566 516 A HA 0.637 4.957 4.320 -0.001 0.000 0.297 516 A C -0.690 176.934 177.584 0.066 0.000 1.059 516 A CA -0.684 51.392 52.037 0.064 0.000 0.691 516 A CB 1.258 20.293 19.000 0.058 0.000 1.282 516 A HN 0.296 nan 8.150 nan 0.000 0.401 517 I N 2.107 122.743 120.570 0.110 0.000 2.395 517 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 517 I C -0.057 176.010 176.117 -0.085 0.000 1.023 517 I CA -0.039 61.257 61.300 -0.007 0.000 1.350 517 I CB 0.943 38.899 38.000 -0.073 0.000 1.409 517 I HN 0.682 nan 8.210 nan 0.000 0.507 518 D N 4.534 124.850 120.400 -0.140 0.000 2.360 518 D HA 0.268 4.907 4.640 -0.001 0.000 0.210 518 D C 0.513 176.710 176.300 -0.171 0.000 1.047 518 D CA 0.466 54.413 54.000 -0.088 0.000 0.854 518 D CB 1.161 41.931 40.800 -0.050 0.000 0.936 518 D HN 0.622 nan 8.370 nan 0.000 0.514 519 A N 0.282 122.824 122.820 -0.464 0.000 2.547 519 A HA 0.577 4.896 4.320 -0.001 0.000 0.297 519 A C -1.791 175.374 177.584 -0.697 0.000 1.056 519 A CA -0.659 51.142 52.037 -0.392 0.000 0.688 519 A CB 1.157 20.035 19.000 -0.204 0.000 1.282 519 A HN -0.031 nan 8.150 nan 0.000 0.400 520 Y N 0.093 120.381 120.300 -0.019 0.000 2.570 520 Y HA 0.594 5.143 4.550 -0.001 0.000 0.345 520 Y C 0.034 175.920 175.900 -0.023 0.000 1.014 520 Y CA -0.979 57.108 58.100 -0.021 0.000 1.063 520 Y CB 2.337 40.791 38.460 -0.010 0.000 1.272 520 Y HN 0.427 nan 8.280 nan 0.000 0.477 521 V N 3.316 123.287 119.914 0.096 0.000 2.347 521 V HA 0.334 4.454 4.120 -0.001 0.000 0.280 521 V C -0.621 175.574 176.094 0.168 0.000 1.021 521 V CA -0.486 61.849 62.300 0.058 0.000 0.847 521 V CB 0.650 32.401 31.823 -0.119 0.000 0.990 521 V HN 0.880 nan 8.190 nan 0.000 0.444 522 D N 3.860 124.370 120.400 0.184 0.000 2.808 522 D HA 0.369 5.009 4.640 -0.001 0.000 0.249 522 D C 1.391 177.798 176.300 0.179 0.000 1.151 522 D CA 0.130 54.265 54.000 0.225 0.000 1.089 522 D CB 0.816 41.702 40.800 0.145 0.000 1.295 522 D HN 0.359 nan 8.370 nan 0.000 0.631 523 G N -1.125 107.737 108.800 0.103 0.000 2.471 523 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.219 523 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.219 523 G C 1.033 176.010 174.900 0.128 0.000 1.125 523 G CA 1.283 46.420 45.100 0.063 0.000 0.775 523 G HN 0.560 nan 8.290 nan 0.000 0.548 524 Q N -0.664 119.199 119.800 0.105 0.000 2.179 524 Q HA 0.518 4.857 4.340 -0.001 0.000 0.213 524 Q C 0.813 176.867 176.000 0.089 0.000 0.833 524 Q CA 0.253 56.116 55.803 0.100 0.000 0.990 524 Q CB 0.425 29.196 28.738 0.055 0.000 1.132 524 Q HN 0.549 nan 8.270 nan 0.000 0.493 525 G N 0.657 109.525 108.800 0.113 0.000 2.408 525 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.204 525 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.204 525 G C -1.057 173.885 174.900 0.070 0.000 1.186 525 G CA -0.555 44.599 45.100 0.089 0.000 1.139 525 G HN 0.248 nan 8.290 nan 0.000 0.563 526 I N 2.421 123.015 120.570 0.040 0.000 2.416 526 I HA 0.383 4.552 4.170 -0.001 0.000 0.288 526 I C 0.481 176.624 176.117 0.044 0.000 1.051 526 I CA 0.145 61.462 61.300 0.029 0.000 1.375 526 I CB 0.980 38.975 38.000 -0.008 0.000 1.407 526 I HN 0.368 nan 8.210 nan 0.000 0.516 527 E N 3.368 123.617 120.200 0.081 0.000 2.320 527 E HA 0.247 4.597 4.350 -0.001 0.000 0.264 527 E C 0.209 176.898 176.600 0.148 0.000 0.923 527 E CA -0.386 56.066 56.400 0.088 0.000 0.796 527 E CB 1.971 31.720 29.700 0.081 0.000 1.262 527 E HN 0.619 nan 8.360 nan 0.000 0.428 528 S N -0.681 115.086 115.700 0.112 0.000 2.562 528 S HA -0.004 4.466 4.470 -0.001 0.000 0.221 528 S C 0.759 175.469 174.600 0.183 0.000 0.975 528 S CA 0.395 58.684 58.200 0.148 0.000 0.918 528 S CB -0.184 63.055 63.200 0.065 0.000 0.772 528 S HN 0.570 nan 8.310 nan 0.000 0.531 529 T N -1.121 113.466 114.554 0.055 0.000 2.841 529 T HA 0.710 5.059 4.350 -0.001 0.000 0.296 529 T C -1.401 173.116 174.700 -0.304 0.000 1.166 529 T CA -0.918 61.055 62.100 -0.213 0.000 1.007 529 T CB 1.443 70.199 68.868 -0.185 0.000 1.253 529 T HN 0.136 nan 8.240 nan 0.000 0.511 530 L N 2.046 122.962 121.223 -0.512 0.000 2.362 530 L HA 0.683 5.022 4.340 -0.001 0.000 0.275 530 L C -2.635 174.119 176.870 -0.194 0.000 0.998 530 L CA -2.250 52.401 54.840 -0.315 0.000 0.820 530 L CB 1.975 43.775 42.059 -0.432 0.000 1.270 530 L HN 0.488 nan 8.230 nan 0.000 0.415 531 P HA 0.256 nan 4.420 nan 0.000 0.271 531 P C -1.323 175.992 177.300 0.025 0.000 1.220 531 P CA -0.015 63.032 63.100 -0.088 0.000 0.768 531 P CB 1.074 32.666 31.700 -0.180 0.000 0.848 532 V N 0.387 120.332 119.914 0.051 0.000 3.087 532 V HA 0.595 4.714 4.120 -0.001 0.000 0.306 532 V C -2.992 173.253 176.094 0.253 0.000 1.187 532 V CA -3.250 59.174 62.300 0.206 0.000 0.999 532 V CB 1.687 33.638 31.823 0.213 0.000 1.049 532 V HN 0.182 nan 8.190 nan 0.000 0.431 533 P HA 0.310 nan 4.420 nan 0.000 0.268 533 P C -0.119 177.473 177.300 0.486 0.000 1.208 533 P CA 0.508 63.803 63.100 0.326 0.000 0.777 533 P CB 0.374 32.230 31.700 0.260 0.000 0.875 534 A N 2.227 125.266 122.820 0.366 0.000 2.407 534 A HA 0.182 4.501 4.320 -0.001 0.000 0.248 534 A C -0.610 177.250 177.584 0.461 0.000 1.082 534 A CA -0.287 51.980 52.037 0.384 0.000 0.785 534 A CB -0.317 18.834 19.000 0.251 0.000 1.020 534 A HN 0.624 nan 8.150 nan 0.000 0.489 535 W N 2.172 123.563 121.300 0.152 0.000 2.272 535 W HA 0.467 5.126 4.660 -0.002 0.000 0.318 535 W C -0.609 175.928 176.519 0.030 0.000 1.255 535 W CA 0.041 57.342 57.345 -0.073 0.000 1.200 535 W CB 0.541 29.731 29.460 -0.451 0.000 1.170 535 W HN 0.740 nan 8.180 nan 0.000 0.549 536 N N 3.801 122.130 118.700 -0.618 0.000 2.269 536 N HA 0.125 4.865 4.740 -0.001 0.000 0.304 536 N C 0.602 175.336 175.510 -1.295 0.000 1.072 536 N CA -0.763 51.886 53.050 -0.668 0.000 0.802 536 N CB 1.852 40.159 38.487 -0.300 0.000 1.348 536 N HN 0.638 nan 8.380 nan 0.000 0.484 537 E N 0.421 119.973 120.200 -1.080 0.000 2.219 537 E HA -0.296 4.053 4.350 -0.001 0.000 0.198 537 E C -0.132 176.216 176.600 -0.420 0.000 0.998 537 E CA 1.336 57.275 56.400 -0.767 0.000 0.818 537 E CB -0.106 29.457 29.700 -0.229 0.000 0.741 537 E HN 0.549 nan 8.360 nan 0.000 0.477 538 D N 1.043 121.244 120.400 -0.332 0.000 2.305 538 D HA 0.037 4.677 4.640 -0.001 0.000 0.206 538 D C 0.106 176.313 176.300 -0.154 0.000 0.974 538 D CA 0.561 54.452 54.000 -0.180 0.000 0.871 538 D CB 0.248 40.975 40.800 -0.121 0.000 0.947 538 D HN 0.399 nan 8.370 nan 0.000 0.516 539 E N 1.774 121.850 120.200 -0.206 0.000 2.238 539 E HA 0.359 4.709 4.350 -0.001 0.000 0.267 539 E C -2.487 174.046 176.600 -0.111 0.000 0.887 539 E CA -2.051 54.274 56.400 -0.126 0.000 0.769 539 E CB 2.000 31.642 29.700 -0.097 0.000 1.187 539 E HN -0.094 nan 8.360 nan 0.000 0.416 540 P HA -0.035 nan 4.420 nan 0.000 0.268 540 P C -1.329 176.024 177.300 0.088 0.000 1.205 540 P CA 0.130 63.252 63.100 0.037 0.000 0.771 540 P CB 0.431 32.154 31.700 0.037 0.000 0.858 541 Y N 2.758 123.072 120.300 0.023 0.000 2.349 541 Y HA 0.418 4.968 4.550 -0.001 0.000 0.324 541 Y C -0.757 175.190 175.900 0.077 0.000 1.005 541 Y CA -0.819 57.315 58.100 0.056 0.000 1.240 541 Y CB 0.915 39.440 38.460 0.108 0.000 1.117 541 Y HN 0.180 nan 8.280 nan 0.000 0.463 542 L N 6.401 127.674 121.223 0.084 0.000 2.322 542 L HA 0.568 4.907 4.340 -0.001 0.000 0.279 542 L C -0.442 176.474 176.870 0.076 0.000 1.036 542 L CA -0.670 54.225 54.840 0.092 0.000 0.807 542 L CB 1.379 43.458 42.059 0.034 0.000 1.226 542 L HN 0.586 nan 8.230 nan 0.000 0.433 543 M N 1.541 121.186 119.600 0.074 0.000 2.591 543 M HA 0.558 5.038 4.480 -0.001 0.000 0.306 543 M C -0.129 176.094 176.300 -0.129 0.000 1.190 543 M CA -0.432 54.859 55.300 -0.015 0.000 0.889 543 M CB 2.123 34.699 32.600 -0.040 0.000 1.728 543 M HN 0.617 nan 8.290 nan 0.000 0.458 544 G N 1.416 110.079 108.800 -0.229 0.000 2.566 544 G HA2 0.753 4.712 3.960 -0.001 0.000 0.311 544 G HA3 0.753 4.712 3.960 -0.001 0.000 0.311 544 G C -1.866 172.698 174.900 -0.560 0.000 1.322 544 G CA -0.312 44.571 45.100 -0.361 0.000 0.969 544 G HN 0.441 nan 8.290 nan 0.000 0.490 545 F N 1.408 121.094 119.950 -0.440 0.000 2.388 545 F HA 0.570 5.097 4.527 -0.001 0.000 0.358 545 F C -0.086 175.439 175.800 -0.459 0.000 1.122 545 F CA -0.665 57.156 58.000 -0.298 0.000 1.056 545 F CB 1.413 40.205 39.000 -0.348 0.000 1.155 545 F HN 0.257 nan 8.300 nan 0.000 0.461 546 F N 2.402 122.273 119.950 -0.131 0.000 2.497 546 F HA 0.582 5.108 4.527 -0.001 0.000 0.331 546 F C 0.488 176.277 175.800 -0.019 0.000 1.060 546 F CA -1.116 56.784 58.000 -0.166 0.000 0.989 546 F CB 1.165 39.978 39.000 -0.313 0.000 1.245 546 F HN 0.242 nan 8.300 nan 0.000 0.486 547 L N 0.229 121.582 121.223 0.217 0.000 3.898 547 L HA -0.180 4.159 4.340 -0.001 0.000 0.407 547 L C 0.636 177.747 176.870 0.401 0.000 1.207 547 L CA 0.145 55.151 54.840 0.277 0.000 0.931 547 L CB -2.119 40.115 42.059 0.291 0.000 2.014 547 L HN 0.594 nan 8.230 nan 0.000 0.858 548 V N -3.835 116.157 119.914 0.129 0.000 3.649 548 V HA 0.296 4.415 4.120 -0.001 0.000 0.275 548 V C 2.019 178.142 176.094 0.047 0.000 1.281 548 V CA 1.130 63.409 62.300 -0.035 0.000 1.143 548 V CB 0.512 32.163 31.823 -0.286 0.000 0.892 548 V HN 0.370 nan 8.190 nan 0.000 0.441 549 G N 0.869 109.734 108.800 0.109 0.000 2.432 549 G HA2 0.153 4.112 3.960 -0.001 0.000 0.219 549 G HA3 0.153 4.112 3.960 -0.001 0.000 0.219 549 G C 0.725 175.769 174.900 0.240 0.000 1.135 549 G CA 0.682 45.866 45.100 0.140 0.000 0.767 549 G HN 1.040 nan 8.290 nan 0.000 0.550 550 A N -1.566 121.420 122.820 0.276 0.000 2.271 550 A HA 0.660 4.979 4.320 -0.001 0.000 0.317 550 A C 0.071 177.858 177.584 0.338 0.000 1.245 550 A CA -0.602 51.575 52.037 0.232 0.000 0.857 550 A CB 0.607 19.779 19.000 0.286 0.000 1.175 550 A HN 0.654 nan 8.150 nan 0.000 0.512 551 Y N -0.179 120.225 120.300 0.173 0.000 4.884 551 Y HA -0.309 4.241 4.550 -0.001 0.000 0.276 551 Y C 1.877 177.839 175.900 0.104 0.000 0.915 551 Y CA 1.391 59.570 58.100 0.133 0.000 1.768 551 Y CB -1.454 37.086 38.460 0.134 0.000 1.172 551 Y HN 0.681 nan 8.280 nan 0.000 0.470 552 Q N 0.634 120.567 119.800 0.221 0.000 2.046 552 Q HA -0.133 4.207 4.340 -0.001 0.000 0.200 552 Q C 1.858 177.898 176.000 0.067 0.000 0.975 552 Q CA 2.058 57.925 55.803 0.107 0.000 0.836 552 Q CB -0.250 28.478 28.738 -0.017 0.000 0.896 552 Q HN 0.713 nan 8.270 nan 0.000 0.428 553 E N 0.118 120.355 120.200 0.061 0.000 2.047 553 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 553 E C 1.921 178.556 176.600 0.057 0.000 0.987 553 E CA 0.679 57.106 56.400 0.046 0.000 0.799 553 E CB -0.121 29.606 29.700 0.044 0.000 0.752 553 E HN 0.133 nan 8.360 nan 0.000 0.449 554 I N 0.508 121.123 120.570 0.075 0.000 2.315 554 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 554 I C 1.585 177.749 176.117 0.079 0.000 1.117 554 I CA 1.123 62.467 61.300 0.072 0.000 1.404 554 I CB 0.108 38.153 38.000 0.076 0.000 1.071 554 I HN 0.045 nan 8.210 nan 0.000 0.419 555 L N 0.124 121.410 121.223 0.105 0.000 2.492 555 L HA 0.237 4.576 4.340 -0.001 0.000 0.223 555 L C 1.491 178.416 176.870 0.092 0.000 1.132 555 L CA 0.337 55.241 54.840 0.106 0.000 0.850 555 L CB -1.660 40.480 42.059 0.136 0.000 0.966 555 L HN 0.176 nan 8.230 nan 0.000 0.454 556 G N -0.154 108.689 108.800 0.072 0.000 2.594 556 G HA2 0.368 4.328 3.960 -0.001 0.000 0.243 556 G HA3 0.368 4.328 3.960 -0.001 0.000 0.243 556 G C -0.707 174.226 174.900 0.054 0.000 1.229 556 G CA -0.120 45.019 45.100 0.065 0.000 0.843 556 G HN 0.413 nan 8.290 nan 0.000 0.578 557 D N -0.959 119.478 120.400 0.060 0.000 2.559 557 D HA 0.367 5.007 4.640 -0.001 0.000 0.250 557 D C 0.424 176.748 176.300 0.039 0.000 1.135 557 D CA -0.922 53.093 54.000 0.026 0.000 0.955 557 D CB 1.009 41.809 40.800 -0.001 0.000 1.442 557 D HN 0.162 nan 8.370 nan 0.000 0.471 558 M N 1.133 120.733 119.600 0.000 0.000 3.376 558 M HA 0.163 4.642 4.480 -0.001 0.000 0.218 558 M C -0.191 176.105 176.300 -0.007 0.000 1.295 558 M CA -0.181 55.120 55.300 0.003 0.000 1.386 558 M CB -1.852 30.726 32.600 -0.037 0.000 1.205 558 M HN 0.487 nan 8.290 nan 0.000 0.496 559 H N 2.671 121.650 119.070 -0.151 0.000 2.964 559 H HA 0.074 4.630 4.556 -0.001 0.000 0.328 559 H C 0.818 176.036 175.328 -0.184 0.000 1.030 559 H CA 1.469 57.352 56.048 -0.276 0.000 1.445 559 H CB 0.423 29.839 29.762 -0.578 0.000 1.449 559 H HN 0.448 nan 8.280 nan 0.000 0.581 560 N N 3.432 121.868 118.700 -0.440 0.000 2.753 560 N HA -0.239 4.500 4.740 -0.001 0.000 0.251 560 N C 0.153 175.345 175.510 -0.531 0.000 1.097 560 N CA 1.145 53.920 53.050 -0.458 0.000 0.786 560 N CB -1.020 37.237 38.487 -0.383 0.000 1.137 560 N HN 0.814 nan 8.380 nan 0.000 0.566 561 L N -3.311 117.696 121.223 -0.359 0.000 4.040 561 L HA -0.284 4.055 4.340 -0.001 0.000 0.410 561 L C -0.344 176.245 176.870 -0.469 0.000 1.187 561 L CA 0.623 55.259 54.840 -0.340 0.000 0.956 561 L CB -1.981 39.883 42.059 -0.325 0.000 2.022 561 L HN 0.042 nan 8.230 nan 0.000 0.897 562 F N 0.733 120.540 119.950 -0.239 0.000 2.438 562 F HA 0.535 5.061 4.527 -0.001 0.000 0.356 562 F C 1.407 177.084 175.800 -0.205 0.000 1.099 562 F CA 0.458 58.238 58.000 -0.368 0.000 1.185 562 F CB 0.970 39.755 39.000 -0.358 0.000 1.115 562 F HN -0.014 nan 8.300 nan 0.000 0.526 563 G N 1.748 110.536 108.800 -0.021 0.000 2.795 563 G HA2 0.247 4.206 3.960 -0.001 0.000 0.267 563 G HA3 0.247 4.206 3.960 -0.001 0.000 0.267 563 G C -0.893 174.138 174.900 0.217 0.000 1.362 563 G CA -0.823 44.336 45.100 0.098 0.000 1.048 563 G HN 0.387 nan 8.290 nan 0.000 0.547 564 D N 0.705 121.229 120.400 0.207 0.000 2.506 564 D HA 0.249 4.888 4.640 -0.001 0.000 0.234 564 D C 1.249 177.744 176.300 0.325 0.000 1.143 564 D CA 0.495 54.626 54.000 0.217 0.000 0.871 564 D CB 0.923 41.827 40.800 0.173 0.000 1.190 564 D HN 0.451 nan 8.370 nan 0.000 0.459 565 T N 0.077 114.779 114.554 0.247 0.000 2.816 565 T HA 0.144 4.494 4.350 -0.001 0.000 0.282 565 T C 0.541 175.368 174.700 0.212 0.000 0.993 565 T CA -0.682 61.560 62.100 0.236 0.000 0.994 565 T CB 0.542 69.430 68.868 0.034 0.000 1.025 565 T HN 0.232 nan 8.240 nan 0.000 0.529 566 H N 0.892 120.095 119.070 0.221 0.000 2.790 566 H HA 0.428 4.983 4.556 -0.001 0.000 0.358 566 H C 0.613 175.961 175.328 0.034 0.000 1.103 566 H CA 0.054 56.130 56.048 0.046 0.000 1.426 566 H CB 0.453 30.179 29.762 -0.060 0.000 1.424 566 H HN 0.848 nan 8.280 nan 0.000 0.599 567 S N 1.001 116.790 115.700 0.149 0.000 2.541 567 S HA 0.649 5.119 4.470 -0.001 0.000 0.280 567 S C -0.313 174.310 174.600 0.037 0.000 1.112 567 S CA -0.791 57.448 58.200 0.065 0.000 0.925 567 S CB 1.647 64.874 63.200 0.045 0.000 1.067 567 S HN 0.590 nan 8.310 nan 0.000 0.479 568 V N -0.642 119.269 119.914 -0.005 0.000 3.007 568 V HA 0.910 5.029 4.120 -0.001 0.000 0.311 568 V C -1.045 175.024 176.094 -0.041 0.000 1.120 568 V CA -0.873 61.422 62.300 -0.008 0.000 0.980 568 V CB 1.544 33.344 31.823 -0.038 0.000 1.033 568 V HN 0.825 nan 8.190 nan 0.000 0.429 569 V N 3.148 123.075 119.914 0.021 0.000 2.435 569 V HA 0.629 4.748 4.120 -0.001 0.000 0.290 569 V C -0.271 175.807 176.094 -0.027 0.000 1.030 569 V CA -0.388 61.920 62.300 0.013 0.000 0.881 569 V CB 1.631 33.574 31.823 0.202 0.000 0.983 569 V HN 0.802 nan 8.190 nan 0.000 0.445 570 V N 4.903 124.759 119.914 -0.096 0.000 2.407 570 V HA 0.432 4.552 4.120 -0.001 0.000 0.291 570 V C -0.300 175.871 176.094 0.128 0.000 1.018 570 V CA -0.792 61.507 62.300 -0.001 0.000 0.842 570 V CB 1.718 33.541 31.823 0.000 0.000 0.996 570 V HN 0.944 nan 8.190 nan 0.000 0.426 571 N N 2.608 121.375 118.700 0.112 0.000 2.399 571 N HA 0.609 5.349 4.740 -0.001 0.000 0.295 571 N C -0.834 174.744 175.510 0.114 0.000 1.048 571 N CA -0.529 52.598 53.050 0.129 0.000 0.886 571 N CB 2.330 40.871 38.487 0.090 0.000 1.185 571 N HN 0.445 nan 8.380 nan 0.000 0.487 572 V N 1.588 121.573 119.914 0.118 0.000 2.383 572 V HA 0.502 4.622 4.120 -0.001 0.000 0.275 572 V C 1.036 177.153 176.094 0.039 0.000 1.036 572 V CA -0.561 61.783 62.300 0.072 0.000 0.889 572 V CB 0.869 32.742 31.823 0.083 0.000 0.985 572 V HN 0.777 nan 8.190 nan 0.000 0.459 573 G N 2.632 111.424 108.800 -0.013 0.000 2.588 573 G HA2 0.250 4.209 3.960 -0.001 0.000 0.281 573 G HA3 0.250 4.209 3.960 -0.001 0.000 0.281 573 G C 0.460 175.326 174.900 -0.056 0.000 1.236 573 G CA -0.263 44.823 45.100 -0.024 0.000 0.969 573 G HN 0.663 nan 8.290 nan 0.000 0.504 574 D N -0.752 119.635 120.400 -0.022 0.000 2.126 574 D HA -0.138 4.502 4.640 -0.001 0.000 0.190 574 D C 2.130 178.411 176.300 -0.033 0.000 1.001 574 D CA 1.441 55.449 54.000 0.012 0.000 0.841 574 D CB 0.102 40.913 40.800 0.018 0.000 0.949 574 D HN 0.504 nan 8.370 nan 0.000 0.446 575 Q N -1.428 118.285 119.800 -0.144 0.000 2.320 575 Q HA 0.253 4.593 4.340 -0.001 0.000 0.201 575 Q C 0.483 176.091 176.000 -0.653 0.000 0.910 575 Q CA 0.382 56.047 55.803 -0.230 0.000 0.946 575 Q CB 0.654 29.342 28.738 -0.084 0.000 1.062 575 Q HN 0.371 nan 8.270 nan 0.000 0.503 576 G N 0.832 109.140 108.800 -0.821 0.000 2.148 576 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.203 576 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.203 576 G C -0.404 174.345 174.900 -0.252 0.000 0.993 576 G CA -0.208 44.445 45.100 -0.744 0.000 0.661 576 G HN 0.337 nan 8.290 nan 0.000 0.518 577 E N -0.384 119.710 120.200 -0.177 0.000 2.418 577 E HA 0.458 4.807 4.350 -0.001 0.000 0.261 577 E C 0.759 177.338 176.600 -0.036 0.000 1.070 577 E CA 0.285 56.636 56.400 -0.081 0.000 0.931 577 E CB 0.716 30.379 29.700 -0.062 0.000 0.954 577 E HN 0.390 nan 8.360 nan 0.000 0.439 578 I N 2.841 123.407 120.570 -0.007 0.000 2.347 578 I HA 0.161 4.331 4.170 -0.001 0.000 0.283 578 I C -0.575 175.550 176.117 0.013 0.000 1.058 578 I CA -0.281 61.035 61.300 0.026 0.000 1.202 578 I CB 0.366 38.393 38.000 0.044 0.000 1.386 578 I HN 0.370 nan 8.210 nan 0.000 0.475 579 N N 7.388 126.096 118.700 0.015 0.000 2.414 579 N HA 0.426 5.165 4.740 -0.001 0.000 0.256 579 N C -0.648 174.856 175.510 -0.011 0.000 1.029 579 N CA -0.388 52.656 53.050 -0.010 0.000 0.948 579 N CB 1.406 39.884 38.487 -0.015 0.000 1.102 579 N HN 0.459 nan 8.380 nan 0.000 0.496 580 I N 2.181 122.730 120.570 -0.034 0.000 2.307 580 I HA 0.113 4.283 4.170 -0.001 0.000 0.287 580 I C 0.126 176.187 176.117 -0.093 0.000 1.054 580 I CA -0.221 61.053 61.300 -0.043 0.000 1.218 580 I CB 0.953 38.931 38.000 -0.036 0.000 1.398 580 I HN 0.598 nan 8.210 nan 0.000 0.475 581 D N 5.167 125.495 120.400 -0.119 0.000 2.324 581 D HA 0.153 4.792 4.640 -0.001 0.000 0.212 581 D C -0.108 175.832 176.300 -0.600 0.000 0.984 581 D CA 1.216 55.024 54.000 -0.320 0.000 0.885 581 D CB 0.595 41.206 40.800 -0.316 0.000 0.996 581 D HN 0.209 nan 8.370 nan 0.000 0.505 582 F N -0.182 119.755 119.950 -0.021 0.000 2.613 582 F HA 0.530 5.057 4.527 -0.001 0.000 0.314 582 F C -0.333 175.449 175.800 -0.030 0.000 1.075 582 F CA -0.926 57.062 58.000 -0.020 0.000 0.945 582 F CB 2.306 41.298 39.000 -0.013 0.000 1.310 582 F HN -0.385 nan 8.300 nan 0.000 0.467 583 I N 1.985 122.653 120.570 0.164 0.000 2.649 583 I HA 0.236 4.406 4.170 -0.001 0.000 0.289 583 I C -1.512 174.649 176.117 0.072 0.000 1.222 583 I CA -0.616 60.722 61.300 0.064 0.000 1.046 583 I CB 2.302 40.297 38.000 -0.008 0.000 1.272 583 I HN 0.497 nan 8.210 nan 0.000 0.425 584 N N 5.458 124.197 118.700 0.065 0.000 2.443 584 N HA 0.262 5.001 4.740 -0.001 0.000 0.269 584 N C -0.871 174.698 175.510 0.098 0.000 0.985 584 N CA -0.386 52.710 53.050 0.077 0.000 0.921 584 N CB 1.555 40.090 38.487 0.079 0.000 1.195 584 N HN 0.448 nan 8.380 nan 0.000 0.492 585 E N 1.253 121.510 120.200 0.094 0.000 2.338 585 E HA 0.280 4.629 4.350 -0.001 0.000 0.272 585 E C 0.462 177.216 176.600 0.257 0.000 1.029 585 E CA -0.440 56.059 56.400 0.166 0.000 0.872 585 E CB 0.820 30.566 29.700 0.078 0.000 1.015 585 E HN 0.646 nan 8.360 nan 0.000 0.417 586 G N 2.526 111.562 108.800 0.394 0.000 2.616 586 G HA2 0.031 3.990 3.960 -0.001 0.000 0.268 586 G HA3 0.031 3.990 3.960 -0.001 0.000 0.268 586 G C -0.207 174.858 174.900 0.276 0.000 1.213 586 G CA -0.597 44.667 45.100 0.274 0.000 0.926 586 G HN 0.435 nan 8.290 nan 0.000 0.523 587 D N 0.196 120.776 120.400 0.301 0.000 2.414 587 D HA 0.282 4.922 4.640 -0.001 0.000 0.242 587 D C 1.155 177.597 176.300 0.236 0.000 1.129 587 D CA 0.408 54.548 54.000 0.233 0.000 0.885 587 D CB 1.165 42.096 40.800 0.218 0.000 1.198 587 D HN 0.442 nan 8.370 nan 0.000 0.437 588 T N -2.195 112.444 114.554 0.142 0.000 2.862 588 T HA 0.254 4.603 4.350 -0.001 0.000 0.276 588 T C 1.582 176.299 174.700 0.028 0.000 0.974 588 T CA -0.894 61.272 62.100 0.111 0.000 0.966 588 T CB 0.743 69.655 68.868 0.074 0.000 1.072 588 T HN 0.041 nan 8.240 nan 0.000 0.538 589 V N 0.820 120.735 119.914 0.002 0.000 2.332 589 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 589 V C 2.834 178.893 176.094 -0.059 0.000 1.055 589 V CA 2.391 64.661 62.300 -0.051 0.000 1.038 589 V CB -1.139 30.656 31.823 -0.047 0.000 0.651 589 V HN 1.075 nan 8.190 nan 0.000 0.450 590 E N 0.252 120.426 120.200 -0.044 0.000 2.085 590 E HA -0.296 4.053 4.350 -0.001 0.000 0.194 590 E C 1.858 178.377 176.600 -0.135 0.000 0.994 590 E CA 1.766 58.126 56.400 -0.067 0.000 0.801 590 E CB -0.175 29.501 29.700 -0.041 0.000 0.743 590 E HN 0.647 nan 8.360 nan 0.000 0.453 591 D N 0.467 120.775 120.400 -0.154 0.000 2.116 591 D HA -0.216 4.423 4.640 -0.001 0.000 0.193 591 D C 2.025 178.056 176.300 -0.448 0.000 0.998 591 D CA 1.386 55.178 54.000 -0.347 0.000 0.836 591 D CB -0.247 40.417 40.800 -0.227 0.000 0.951 591 D HN 0.337 nan 8.370 nan 0.000 0.449 592 M N -0.072 119.445 119.600 -0.138 0.000 2.159 592 M HA -0.064 4.416 4.480 -0.001 0.000 0.263 592 M C 2.399 178.658 176.300 -0.069 0.000 1.063 592 M CA 1.012 56.313 55.300 0.002 0.000 1.110 592 M CB -0.871 31.717 32.600 -0.020 0.000 1.374 592 M HN 0.070 nan 8.290 nan 0.000 0.411 593 M N -0.661 118.873 119.600 -0.110 0.000 2.159 593 M HA -0.178 4.301 4.480 -0.001 0.000 0.263 593 M C 2.326 178.558 176.300 -0.113 0.000 1.063 593 M CA 1.574 56.815 55.300 -0.099 0.000 1.110 593 M CB -0.363 32.190 32.600 -0.078 0.000 1.374 593 M HN 0.200 nan 8.290 nan 0.000 0.411 594 R N -0.829 119.564 120.500 -0.179 0.000 2.066 594 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 594 R C 2.090 178.314 176.300 -0.126 0.000 1.131 594 R CA 1.379 57.378 56.100 -0.168 0.000 0.955 594 R CB -0.476 29.673 30.300 -0.251 0.000 0.851 594 R HN 0.302 nan 8.270 nan 0.000 0.432 595 Y N 0.508 120.743 120.300 -0.108 0.000 2.193 595 Y HA -0.173 4.377 4.550 -0.001 0.000 0.285 595 Y C 2.124 177.785 175.900 -0.399 0.000 1.166 595 Y CA 1.074 59.071 58.100 -0.171 0.000 1.181 595 Y CB -0.583 37.805 38.460 -0.121 0.000 0.976 595 Y HN -0.038 nan 8.280 nan 0.000 0.520 596 V N -3.096 116.694 119.914 -0.206 0.000 3.421 596 V HA 0.195 4.315 4.120 -0.001 0.000 0.316 596 V C 0.000 175.898 176.094 -0.326 0.000 1.347 596 V CA 0.235 62.312 62.300 -0.372 0.000 1.183 596 V CB -0.974 30.753 31.823 -0.160 0.000 1.092 596 V HN 0.584 nan 8.190 nan 0.000 0.433 597 H N -1.829 117.249 119.070 0.013 0.000 3.022 597 H HA -0.127 4.429 4.556 -0.001 0.000 0.258 597 H C 0.272 175.587 175.328 -0.022 0.000 1.212 597 H CA 0.901 56.947 56.048 -0.003 0.000 1.126 597 H CB -2.025 27.736 29.762 -0.000 0.000 1.267 597 H HN 0.549 nan 8.280 nan 0.000 0.345 598 I N 1.802 122.392 120.570 0.034 0.000 2.575 598 I HA 0.008 4.178 4.170 -0.001 0.000 0.285 598 I C 1.038 177.150 176.117 -0.009 0.000 1.085 598 I CA 0.073 61.373 61.300 0.000 0.000 1.403 598 I CB 0.696 38.675 38.000 -0.034 0.000 1.409 598 I HN 0.014 nan 8.210 nan 0.000 0.557 599 D N 6.018 126.407 120.400 -0.018 0.000 2.422 599 D HA 0.119 4.759 4.640 -0.001 0.000 0.227 599 D C 0.722 176.995 176.300 -0.044 0.000 1.190 599 D CA -0.189 53.796 54.000 -0.026 0.000 0.905 599 D CB 1.137 41.922 40.800 -0.024 0.000 1.034 599 D HN 0.244 nan 8.370 nan 0.000 0.507 600 V N 3.561 123.449 119.914 -0.043 0.000 2.358 600 V HA -0.172 3.947 4.120 -0.001 0.000 0.246 600 V C 1.740 177.811 176.094 -0.039 0.000 1.047 600 V CA 1.393 63.666 62.300 -0.045 0.000 1.035 600 V CB -0.338 31.459 31.823 -0.042 0.000 0.658 600 V HN 0.514 nan 8.190 nan 0.000 0.452 601 D N -0.240 120.141 120.400 -0.032 0.000 2.123 601 D HA -0.218 4.422 4.640 -0.001 0.000 0.196 601 D C 2.208 178.488 176.300 -0.033 0.000 0.992 601 D CA 1.475 55.460 54.000 -0.024 0.000 0.833 601 D CB -0.187 40.601 40.800 -0.019 0.000 0.954 601 D HN 0.405 nan 8.370 nan 0.000 0.455 602 Q N 0.124 119.897 119.800 -0.044 0.000 2.124 602 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 602 Q C 1.941 177.879 176.000 -0.103 0.000 0.977 602 Q CA 0.735 56.503 55.803 -0.058 0.000 0.850 602 Q CB -0.181 28.524 28.738 -0.055 0.000 0.901 602 Q HN 0.179 nan 8.270 nan 0.000 0.429 603 I N 0.270 120.759 120.570 -0.135 0.000 2.179 603 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 603 I C 2.157 178.102 176.117 -0.286 0.000 1.088 603 I CA 1.429 62.564 61.300 -0.276 0.000 1.357 603 I CB -1.055 36.805 38.000 -0.233 0.000 1.051 603 I HN 0.279 nan 8.210 nan 0.000 0.409 604 R N 0.734 121.191 120.500 -0.071 0.000 2.096 604 R HA -0.183 4.157 4.340 -0.001 0.000 0.240 604 R C 2.229 178.575 176.300 0.077 0.000 1.139 604 R CA 1.386 57.528 56.100 0.070 0.000 0.952 604 R CB -0.258 30.075 30.300 0.056 0.000 0.854 604 R HN 0.435 nan 8.270 nan 0.000 0.436 605 K N 0.115 120.527 120.400 0.019 0.000 2.062 605 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 605 K C 1.740 178.373 176.600 0.056 0.000 1.051 605 K CA 1.022 57.341 56.287 0.054 0.000 0.941 605 K CB -0.208 32.306 32.500 0.023 0.000 0.719 605 K HN 0.152 nan 8.250 nan 0.000 0.440 606 N N 0.884 119.560 118.700 -0.040 0.000 2.149 606 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 606 N C 1.736 177.258 175.510 0.020 0.000 1.019 606 N CA 1.220 54.234 53.050 -0.060 0.000 0.857 606 N CB -0.546 37.846 38.487 -0.158 0.000 0.997 606 N HN 0.201 nan 8.380 nan 0.000 0.426 607 Y N 0.658 120.981 120.300 0.038 0.000 2.256 607 Y HA -0.162 4.387 4.550 -0.001 0.000 0.288 607 Y C 2.541 178.486 175.900 0.076 0.000 1.155 607 Y CA 0.888 59.012 58.100 0.040 0.000 1.203 607 Y CB -0.976 37.505 38.460 0.034 0.000 0.980 607 Y HN 0.295 nan 8.280 nan 0.000 0.530 608 H N -0.428 118.734 119.070 0.152 0.000 2.319 608 H HA -0.120 4.436 4.556 -0.001 0.000 0.299 608 H C 2.185 177.550 175.328 0.061 0.000 1.092 608 H CA 1.875 57.973 56.048 0.082 0.000 1.302 608 H CB -0.146 29.648 29.762 0.052 0.000 1.373 608 H HN 0.145 nan 8.280 nan 0.000 0.497 609 S N 0.215 115.894 115.700 -0.035 0.000 2.344 609 S HA -0.145 4.324 4.470 -0.001 0.000 0.217 609 S C 2.204 176.768 174.600 -0.061 0.000 1.033 609 S CA 1.193 59.329 58.200 -0.107 0.000 1.017 609 S CB -0.726 62.449 63.200 -0.042 0.000 0.941 609 S HN 0.342 nan 8.310 nan 0.000 0.430 610 L N 1.908 123.141 121.223 0.016 0.000 2.081 610 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 610 L C 2.224 179.110 176.870 0.026 0.000 1.080 610 L CA 1.486 56.349 54.840 0.037 0.000 0.754 610 L CB -0.643 41.477 42.059 0.102 0.000 0.893 610 L HN 0.141 nan 8.230 nan 0.000 0.433 611 V N -0.709 119.227 119.914 0.036 0.000 2.307 611 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 611 V C 2.584 178.666 176.094 -0.020 0.000 1.045 611 V CA 1.718 64.026 62.300 0.013 0.000 1.024 611 V CB -0.770 31.071 31.823 0.030 0.000 0.651 611 V HN 0.708 nan 8.190 nan 0.000 0.449 612 S N -0.517 115.142 115.700 -0.068 0.000 2.400 612 S HA -0.320 4.149 4.470 -0.001 0.000 0.232 612 S C 1.870 176.436 174.600 -0.057 0.000 1.025 612 S CA 1.652 59.800 58.200 -0.087 0.000 0.993 612 S CB -0.459 62.633 63.200 -0.180 0.000 0.808 612 S HN 0.665 nan 8.310 nan 0.000 0.478 613 Q N 0.856 120.626 119.800 -0.050 0.000 1.993 613 Q HA 0.019 4.359 4.340 -0.001 0.000 0.202 613 Q C 2.069 178.058 176.000 -0.018 0.000 0.984 613 Q CA 1.227 57.011 55.803 -0.031 0.000 0.837 613 Q CB -0.019 28.704 28.738 -0.024 0.000 0.902 613 Q HN 0.484 nan 8.270 nan 0.000 0.423 614 R N -0.563 119.930 120.500 -0.012 0.000 2.362 614 R HA 0.225 4.564 4.340 -0.001 0.000 0.227 614 R C -0.214 176.081 176.300 -0.009 0.000 0.905 614 R CA 0.143 56.238 56.100 -0.008 0.000 1.067 614 R CB 0.568 30.866 30.300 -0.002 0.000 1.078 614 R HN 0.046 nan 8.270 nan 0.000 0.516 615 V N 2.799 122.707 119.914 -0.010 0.000 2.513 615 V HA 0.161 4.280 4.120 -0.001 0.000 0.299 615 V C -0.272 175.817 176.094 -0.008 0.000 1.035 615 V CA -1.185 61.109 62.300 -0.009 0.000 0.889 615 V CB 2.258 34.075 31.823 -0.010 0.000 0.988 615 V HN 0.037 nan 8.190 nan 0.000 0.440 616 D N 3.254 123.650 120.400 -0.007 0.000 2.533 616 D HA -0.041 4.598 4.640 -0.001 0.000 0.236 616 D C 1.224 177.522 176.300 -0.003 0.000 1.137 616 D CA 0.298 54.295 54.000 -0.005 0.000 0.867 616 D CB 1.023 41.820 40.800 -0.005 0.000 1.170 616 D HN 0.809 nan 8.370 nan 0.000 0.474 617 Q N 2.476 122.276 119.800 -0.001 0.000 2.173 617 Q HA -0.292 4.048 4.340 -0.001 0.000 0.208 617 Q C 1.000 177.004 176.000 0.005 0.000 0.989 617 Q CA 1.958 57.762 55.803 0.003 0.000 0.872 617 Q CB -0.051 28.689 28.738 0.003 0.000 0.909 617 Q HN 0.381 nan 8.270 nan 0.000 0.420 618 E N 0.968 121.169 120.200 0.002 0.000 2.077 618 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 618 E C 1.900 178.502 176.600 0.002 0.000 0.989 618 E CA 1.705 58.106 56.400 0.002 0.000 0.800 618 E CB -0.163 29.537 29.700 0.000 0.000 0.746 618 E HN 0.617 nan 8.360 nan 0.000 0.452 619 E N 0.413 120.613 120.200 -0.000 0.000 2.158 619 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 619 E C 2.050 178.650 176.600 -0.001 0.000 0.982 619 E CA 0.358 56.756 56.400 -0.003 0.000 0.823 619 E CB -0.042 29.654 29.700 -0.007 0.000 0.766 619 E HN 0.354 nan 8.360 nan 0.000 0.468 620 Q N 0.772 120.574 119.800 0.005 0.000 2.082 620 Q HA -0.334 4.005 4.340 -0.001 0.000 0.211 620 Q C 2.324 178.335 176.000 0.020 0.000 1.002 620 Q CA 2.444 58.255 55.803 0.014 0.000 0.868 620 Q CB -0.386 28.367 28.738 0.024 0.000 0.931 620 Q HN 0.324 nan 8.270 nan 0.000 0.414 621 Q N 0.574 120.386 119.800 0.020 0.000 2.061 621 Q HA -0.286 4.053 4.340 -0.001 0.000 0.204 621 Q C 2.007 178.009 176.000 0.003 0.000 0.984 621 Q CA 1.871 57.684 55.803 0.017 0.000 0.846 621 Q CB -0.345 28.401 28.738 0.014 0.000 0.902 621 Q HN 0.230 nan 8.270 nan 0.000 0.421 622 Q N 0.479 120.277 119.800 -0.003 0.000 2.030 622 Q HA -0.147 4.193 4.340 -0.001 0.000 0.204 622 Q C 1.983 177.969 176.000 -0.024 0.000 0.986 622 Q CA 2.142 57.939 55.803 -0.011 0.000 0.843 622 Q CB -0.317 28.415 28.738 -0.010 0.000 0.904 622 Q HN 0.577 nan 8.270 nan 0.000 0.420 623 I N 0.109 120.662 120.570 -0.027 0.000 2.226 623 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 623 I C 2.149 178.223 176.117 -0.072 0.000 1.100 623 I CA 0.920 62.189 61.300 -0.051 0.000 1.374 623 I CB -1.309 36.662 38.000 -0.048 0.000 1.057 623 I HN 0.319 nan 8.210 nan 0.000 0.413 624 L N 0.982 122.181 121.223 -0.040 0.000 2.046 624 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 624 L C 2.723 179.568 176.870 -0.040 0.000 1.077 624 L CA 2.022 56.841 54.840 -0.034 0.000 0.747 624 L CB -1.316 40.760 42.059 0.029 0.000 0.896 624 L HN 0.200 nan 8.230 nan 0.000 0.432 625 A N -0.240 122.564 122.820 -0.027 0.000 1.865 625 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 625 A C 2.085 179.649 177.584 -0.033 0.000 1.191 625 A CA 1.753 53.776 52.037 -0.022 0.000 0.623 625 A CB -0.488 18.504 19.000 -0.013 0.000 0.826 625 A HN 0.551 nan 8.150 nan 0.000 0.444 626 E N -0.151 120.022 120.200 -0.046 0.000 2.110 626 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 626 E C 1.985 178.537 176.600 -0.080 0.000 0.988 626 E CA 1.067 57.436 56.400 -0.052 0.000 0.804 626 E CB -0.351 29.318 29.700 -0.050 0.000 0.745 626 E HN 0.637 nan 8.360 nan 0.000 0.458 627 L N 1.145 122.285 121.223 -0.138 0.000 1.994 627 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 627 L C 2.416 179.233 176.870 -0.089 0.000 1.071 627 L CA 1.454 56.169 54.840 -0.209 0.000 0.745 627 L CB -0.440 41.337 42.059 -0.469 0.000 0.892 627 L HN 0.109 nan 8.230 nan 0.000 0.431 628 E N -0.289 119.885 120.200 -0.042 0.000 2.077 628 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 628 E C 2.248 178.853 176.600 0.007 0.000 0.989 628 E CA 1.201 57.607 56.400 0.010 0.000 0.800 628 E CB -0.135 29.573 29.700 0.013 0.000 0.746 628 E HN 0.555 nan 8.360 nan 0.000 0.452 629 Q N -0.047 119.750 119.800 -0.004 0.000 2.119 629 Q HA -0.092 4.247 4.340 -0.001 0.000 0.201 629 Q C 2.315 178.323 176.000 0.013 0.000 0.972 629 Q CA 1.199 57.006 55.803 0.007 0.000 0.847 629 Q CB -0.162 28.578 28.738 0.005 0.000 0.903 629 Q HN 0.339 nan 8.270 nan 0.000 0.433 630 G N 0.831 109.629 108.800 -0.003 0.000 2.418 630 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.217 630 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.217 630 G C 1.366 176.272 174.900 0.009 0.000 1.158 630 G CA 0.468 45.567 45.100 -0.001 0.000 0.771 630 G HN 0.190 nan 8.290 nan 0.000 0.545 631 L N 0.841 122.075 121.223 0.017 0.000 2.079 631 L HA -0.079 4.261 4.340 -0.001 0.000 0.210 631 L C 2.756 179.638 176.870 0.021 0.000 1.081 631 L CA 1.288 56.142 54.840 0.024 0.000 0.752 631 L CB -0.245 41.843 42.059 0.047 0.000 0.896 631 L HN 0.174 nan 8.230 nan 0.000 0.433 632 S N -0.649 115.068 115.700 0.029 0.000 2.575 632 S HA 0.125 4.594 4.470 -0.001 0.000 0.215 632 S C 0.971 175.608 174.600 0.062 0.000 0.966 632 S CA 0.116 58.338 58.200 0.037 0.000 0.911 632 S CB 0.105 63.323 63.200 0.030 0.000 0.780 632 S HN 0.459 nan 8.310 nan 0.000 0.514 633 G N 0.046 108.888 108.800 0.071 0.000 2.503 633 G HA2 0.368 4.328 3.960 -0.001 0.000 0.257 633 G HA3 0.368 4.328 3.960 -0.001 0.000 0.257 633 G C -0.492 174.517 174.900 0.182 0.000 1.214 633 G CA -0.588 44.583 45.100 0.119 0.000 0.839 633 G HN 0.417 nan 8.290 nan 0.000 0.559 634 Y N 0.531 120.878 120.300 0.078 0.000 2.993 634 Y HA -0.174 4.375 4.550 -0.001 0.000 0.340 634 Y C 2.478 178.405 175.900 0.045 0.000 1.273 634 Y CA 0.549 58.700 58.100 0.085 0.000 1.545 634 Y CB 0.889 39.431 38.460 0.136 0.000 1.275 634 Y HN 0.765 nan 8.280 nan 0.000 0.617 635 T N 2.217 116.735 114.554 -0.060 0.000 2.833 635 T HA -0.206 4.143 4.350 -0.001 0.000 0.269 635 T C 0.373 174.920 174.700 -0.255 0.000 1.054 635 T CA 0.923 62.867 62.100 -0.261 0.000 1.135 635 T CB -0.378 68.262 68.868 -0.381 0.000 0.869 635 T HN 0.481 nan 8.240 nan 0.000 0.466 636 Y N 0.923 121.093 120.300 -0.217 0.000 2.240 636 Y HA 0.563 5.112 4.550 -0.001 0.000 0.341 636 Y C 1.032 176.921 175.900 -0.019 0.000 1.326 636 Y CA -1.362 56.620 58.100 -0.196 0.000 1.569 636 Y CB 0.298 38.415 38.460 -0.572 0.000 1.426 636 Y HN 0.060 nan 8.280 nan 0.000 0.587 637 L N 0.445 121.778 121.223 0.184 0.000 2.387 637 L HA 0.385 4.724 4.340 -0.001 0.000 0.266 637 L C -0.392 176.567 176.870 0.148 0.000 1.059 637 L CA -0.853 54.074 54.840 0.144 0.000 0.801 637 L CB 1.154 43.281 42.059 0.114 0.000 1.223 637 L HN 0.551 nan 8.230 nan 0.000 0.456 638 E N 0.204 120.477 120.200 0.122 0.000 2.175 638 E HA 0.148 4.497 4.350 -0.001 0.000 0.278 638 E C -1.048 175.613 176.600 0.101 0.000 0.969 638 E CA -0.726 55.744 56.400 0.117 0.000 0.796 638 E CB 1.479 31.239 29.700 0.101 0.000 1.104 638 E HN 0.518 nan 8.360 nan 0.000 0.395 639 D N 0.000 120.465 120.400 0.109 0.000 6.856 639 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 639 D CA 0.000 54.066 54.000 0.109 0.000 0.868 639 D CB 0.000 40.872 40.800 0.121 0.000 0.688 639 D HN 0.000 nan 8.370 nan 0.000 0.683