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 2qg4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFEIKKICCI GAGYVGGPTC SVIAHMCPEI RVTVVDVNES RINAWNSPTL DATA SEQUENCE PIYEPGLKEV VESCRGKNLF FSTNIDDAIK EADLVFISVN TPTKTYGMGK DATA SEQUENCE GRAADLKYIE ACARRIVQNS NGYKIVTEKS TVPVRAAESI RRIFDANTKP DATA SEQUENCE NLNLQVLSNP EFLAEGTAIK DLKNPDRVLI GGDETPEGQR AVQALCAVYE DATA SEQUENCE HWVPREKILT TNTWSSELSK LAANAFLAQR ISSINSISAL CEATGADVEE DATA SEQUENCE VATAIGMDQR IGNKFLKASV GFGGSCFQKD VLNLVYLCEA LNLPEVARYW DATA SEQUENCE QQVIDMNDYQ RRRFASRIID SLFNTVTDKK IAILGFAFKK DTGDTRESSS DATA SEQUENCE IYISKYLMDE GAHLHIYDPK VPREQIVVDL SHXXXXXXDQ VSRLVTISKD DATA SEQUENCE PYEACDGAHA VVICTEWDMF KELDYERIHK KMLKPAFIFD GRRVLDGLHN DATA SEQUENCE ELQTIGFQIE TIGKKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.343 176.300 0.071 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 F N 2.259 122.194 119.950 -0.025 0.000 2.504 2 F HA 0.568 5.094 4.527 -0.002 0.000 0.369 2 F C 0.738 176.548 175.800 0.016 0.000 1.082 2 F CA 0.482 58.471 58.000 -0.018 0.000 1.216 2 F CB 0.554 39.538 39.000 -0.028 0.000 1.108 2 F HN 0.828 nan 8.300 nan 0.000 0.554 3 E N 7.031 126.795 120.200 -0.726 0.000 2.146 3 E HA 0.294 4.643 4.350 -0.002 0.000 0.282 3 E C -0.722 175.429 176.600 -0.749 0.000 0.989 3 E CA -0.720 55.369 56.400 -0.520 0.000 0.799 3 E CB 0.806 30.332 29.700 -0.291 0.000 1.088 3 E HN 0.649 nan 8.360 nan 0.000 0.397 4 I N 5.384 125.767 120.570 -0.312 0.000 2.396 4 I HA 0.045 4.214 4.170 -0.002 0.000 0.289 4 I C 1.066 177.114 176.117 -0.114 0.000 1.056 4 I CA 0.387 61.614 61.300 -0.122 0.000 1.365 4 I CB 0.623 38.638 38.000 0.025 0.000 1.407 4 I HN 0.517 nan 8.210 nan 0.000 0.509 5 K N 5.024 125.363 120.400 -0.102 0.000 2.502 5 K HA 0.270 4.589 4.320 -0.002 0.000 0.211 5 K C -0.106 176.466 176.600 -0.047 0.000 1.259 5 K CA -0.021 56.220 56.287 -0.076 0.000 0.983 5 K CB 0.837 33.285 32.500 -0.087 0.000 1.054 5 K HN 0.434 nan 8.250 nan 0.000 0.572 6 K N 1.625 122.005 120.400 -0.033 0.000 2.463 6 K HA 0.441 4.760 4.320 -0.002 0.000 0.255 6 K C -1.027 175.553 176.600 -0.033 0.000 0.942 6 K CA -0.374 55.896 56.287 -0.029 0.000 0.814 6 K CB 2.265 34.748 32.500 -0.028 0.000 1.122 6 K HN -0.080 nan 8.250 nan 0.000 0.425 7 I N 2.409 122.958 120.570 -0.036 0.000 2.378 7 I HA 0.235 4.404 4.170 -0.002 0.000 0.291 7 I C -0.238 175.865 176.117 -0.023 0.000 0.992 7 I CA -0.903 60.371 61.300 -0.043 0.000 1.154 7 I CB 1.534 39.524 38.000 -0.016 0.000 1.315 7 I HN 0.612 nan 8.210 nan 0.000 0.448 8 C N 6.675 125.960 119.300 -0.026 0.000 2.355 8 C HA 0.662 5.121 4.460 -0.002 0.000 0.332 8 C C -0.066 174.958 174.990 0.057 0.000 1.255 8 C CA -0.600 58.415 59.018 -0.004 0.000 1.792 8 C CB 0.451 28.181 27.740 -0.015 0.000 2.300 8 C HN 0.954 nan 8.230 nan 0.000 0.515 9 C N 8.258 127.596 119.300 0.064 0.000 2.316 9 C HA 0.577 5.036 4.460 -0.002 0.000 0.324 9 C C -0.180 174.847 174.990 0.061 0.000 1.226 9 C CA -0.740 58.352 59.018 0.123 0.000 1.450 9 C CB -1.074 26.726 27.740 0.100 0.000 2.123 9 C HN 0.846 nan 8.230 nan 0.000 0.454 10 I N 6.333 126.955 120.570 0.086 0.000 2.363 10 I HA 0.482 4.651 4.170 -0.002 0.000 0.292 10 I C 0.997 177.151 176.117 0.062 0.000 1.075 10 I CA 1.152 62.493 61.300 0.068 0.000 1.333 10 I CB 0.241 38.289 38.000 0.080 0.000 1.415 10 I HN 1.060 nan 8.210 nan 0.000 0.502 11 G N 4.700 113.527 108.800 0.045 0.000 2.992 11 G HA2 0.112 4.071 3.960 -0.002 0.000 0.677 11 G HA3 0.112 4.071 3.960 -0.002 0.000 0.677 11 G C -0.246 174.672 174.900 0.031 0.000 1.191 11 G CA -0.407 44.717 45.100 0.040 0.000 1.178 11 G HN 0.918 nan 8.290 nan 0.000 0.506 12 A N 1.554 124.413 122.820 0.065 0.000 3.258 12 A HA 0.765 5.084 4.320 -0.002 0.000 0.275 12 A C 1.369 179.116 177.584 0.271 0.000 1.452 12 A CA 1.091 53.166 52.037 0.064 0.000 1.120 12 A CB -0.232 18.808 19.000 0.067 0.000 1.107 12 A HN 1.896 nan 8.150 nan 0.000 0.651 13 G N -1.373 107.544 108.800 0.195 0.000 2.695 13 G HA2 0.300 4.259 3.960 -0.002 0.000 0.213 13 G HA3 0.300 4.259 3.960 -0.002 0.000 0.213 13 G C 0.656 175.731 174.900 0.291 0.000 1.406 13 G CA -0.146 45.106 45.100 0.253 0.000 1.049 13 G HN 0.387 nan 8.290 nan 0.000 0.573 14 Y N -0.785 119.601 120.300 0.143 0.000 2.293 14 Y HA -0.070 4.479 4.550 -0.002 0.000 0.291 14 Y C 2.583 178.534 175.900 0.085 0.000 1.137 14 Y CA 1.921 60.094 58.100 0.123 0.000 1.202 14 Y CB 0.033 38.535 38.460 0.070 0.000 0.990 14 Y HN 0.025 nan 8.280 nan 0.000 0.537 15 V N -0.716 119.285 119.914 0.144 0.000 2.341 15 V HA -0.075 4.044 4.120 -0.002 0.000 0.240 15 V C 2.542 178.592 176.094 -0.073 0.000 1.035 15 V CA 1.691 64.005 62.300 0.023 0.000 1.033 15 V CB -1.301 30.551 31.823 0.049 0.000 0.678 15 V HN 0.508 nan 8.190 nan 0.000 0.464 16 G N 0.156 108.924 108.800 -0.053 0.000 2.421 16 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.216 16 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.216 16 G C 1.619 176.411 174.900 -0.179 0.000 1.171 16 G CA 1.073 46.101 45.100 -0.120 0.000 0.775 16 G HN 0.575 nan 8.290 nan 0.000 0.543 17 G N 1.711 110.406 108.800 -0.175 0.000 2.511 17 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.216 17 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.216 17 G C 0.090 174.824 174.900 -0.277 0.000 1.218 17 G CA 1.401 46.226 45.100 -0.459 0.000 0.788 17 G HN 0.426 nan 8.290 nan 0.000 0.560 18 P HA -0.004 nan 4.420 nan 0.000 0.216 18 P C 2.078 179.308 177.300 -0.117 0.000 1.153 18 P CA 1.763 64.811 63.100 -0.085 0.000 0.848 18 P CB -0.254 31.361 31.700 -0.143 0.000 0.787 19 T N -1.026 113.450 114.554 -0.130 0.000 2.635 19 T HA -0.201 4.148 4.350 -0.002 0.000 0.267 19 T C 1.868 176.493 174.700 -0.125 0.000 1.040 19 T CA 1.591 63.627 62.100 -0.107 0.000 1.156 19 T CB -1.386 67.378 68.868 -0.174 0.000 0.863 19 T HN 0.145 nan 8.240 nan 0.000 0.430 20 C N 1.289 120.484 119.300 -0.176 0.000 2.435 20 C HA 0.010 4.469 4.460 -0.002 0.000 0.279 20 C C 3.211 178.093 174.990 -0.180 0.000 1.321 20 C CA 0.561 59.479 59.018 -0.167 0.000 1.752 20 C CB -1.199 26.416 27.740 -0.209 0.000 1.959 20 C HN 0.547 nan 8.230 nan 0.000 0.500 21 S N 0.844 116.439 115.700 -0.173 0.000 2.368 21 S HA -0.129 4.340 4.470 -0.002 0.000 0.225 21 S C 1.892 176.406 174.600 -0.142 0.000 1.030 21 S CA 1.396 59.519 58.200 -0.130 0.000 0.999 21 S CB -0.311 62.860 63.200 -0.049 0.000 0.844 21 S HN 0.505 nan 8.310 nan 0.000 0.459 22 V N 2.071 121.879 119.914 -0.177 0.000 2.358 22 V HA -0.136 3.983 4.120 -0.002 0.000 0.246 22 V C 2.064 177.903 176.094 -0.426 0.000 1.047 22 V CA 1.391 63.528 62.300 -0.273 0.000 1.035 22 V CB -0.667 30.999 31.823 -0.261 0.000 0.658 22 V HN 0.433 nan 8.190 nan 0.000 0.452 23 I N 0.551 120.925 120.570 -0.327 0.000 2.163 23 I HA -0.278 3.892 4.170 -0.002 0.000 0.243 23 I C 2.701 178.666 176.117 -0.252 0.000 1.085 23 I CA 1.649 62.767 61.300 -0.304 0.000 1.347 23 I CB -0.623 37.337 38.000 -0.067 0.000 1.044 23 I HN 0.294 nan 8.210 nan 0.000 0.408 24 A N 0.079 122.791 122.820 -0.180 0.000 1.883 24 A HA -0.330 3.989 4.320 -0.002 0.000 0.217 24 A C 2.195 179.699 177.584 -0.133 0.000 1.186 24 A CA 2.293 54.241 52.037 -0.148 0.000 0.624 24 A CB -1.098 17.814 19.000 -0.148 0.000 0.822 24 A HN 0.558 nan 8.150 nan 0.000 0.444 25 H N -0.989 117.943 119.070 -0.229 0.000 2.352 25 H HA -0.079 4.476 4.556 -0.002 0.000 0.299 25 H C 1.783 176.980 175.328 -0.219 0.000 1.097 25 H CA 2.257 58.180 56.048 -0.208 0.000 1.311 25 H CB -0.061 29.570 29.762 -0.218 0.000 1.377 25 H HN 0.328 nan 8.280 nan 0.000 0.504 26 M N -0.784 118.610 119.600 -0.344 0.000 2.514 26 M HA 0.100 4.579 4.480 -0.002 0.000 0.258 26 M C 0.346 176.561 176.300 -0.141 0.000 1.119 26 M CA 0.311 55.419 55.300 -0.320 0.000 1.111 26 M CB -0.230 32.023 32.600 -0.577 0.000 1.390 26 M HN 0.277 nan 8.290 nan 0.000 0.475 27 C N 2.352 121.528 119.300 -0.208 0.000 3.003 27 C HA 0.301 4.760 4.460 -0.002 0.000 0.241 27 C C -1.024 173.877 174.990 -0.149 0.000 1.224 27 C CA -1.052 57.819 59.018 -0.246 0.000 1.560 27 C CB 0.078 27.543 27.740 -0.458 0.000 1.768 27 C HN 0.249 nan 8.230 nan 0.000 0.440 28 P HA -0.168 nan 4.420 nan 0.000 0.222 28 P C 1.267 178.543 177.300 -0.040 0.000 1.147 28 P CA 1.605 64.665 63.100 -0.066 0.000 0.790 28 P CB 0.228 31.898 31.700 -0.051 0.000 0.780 29 E N 0.243 120.426 120.200 -0.028 0.000 2.489 29 E HA 0.025 4.374 4.350 -0.002 0.000 0.193 29 E C 0.335 176.915 176.600 -0.033 0.000 1.057 29 E CA -0.061 56.331 56.400 -0.014 0.000 0.866 29 E CB -0.364 29.346 29.700 0.016 0.000 0.916 29 E HN 0.311 nan 8.360 nan 0.000 0.500 30 I N 1.796 122.329 120.570 -0.062 0.000 2.378 30 I HA 0.315 4.484 4.170 -0.002 0.000 0.291 30 I C 0.368 176.465 176.117 -0.032 0.000 0.992 30 I CA -0.967 60.296 61.300 -0.062 0.000 1.154 30 I CB 1.682 39.621 38.000 -0.103 0.000 1.315 30 I HN -0.152 nan 8.210 nan 0.000 0.448 31 R N 5.975 126.473 120.500 -0.003 0.000 2.248 31 R HA 0.451 4.790 4.340 -0.002 0.000 0.328 31 R C -1.386 174.932 176.300 0.030 0.000 1.067 31 R CA -0.296 55.837 56.100 0.054 0.000 0.924 31 R CB 0.794 31.125 30.300 0.051 0.000 1.013 31 R HN 0.485 nan 8.270 nan 0.000 0.454 32 V N 4.641 124.575 119.914 0.033 0.000 2.334 32 V HA 0.259 4.378 4.120 -0.002 0.000 0.281 32 V C -0.263 175.805 176.094 -0.044 0.000 1.016 32 V CA -0.582 61.697 62.300 -0.035 0.000 0.832 32 V CB 1.702 33.465 31.823 -0.099 0.000 0.999 32 V HN 0.774 nan 8.190 nan 0.000 0.439 33 T N 4.644 119.169 114.554 -0.048 0.000 2.791 33 T HA 0.497 4.846 4.350 -0.002 0.000 0.288 33 T C -0.211 174.403 174.700 -0.143 0.000 0.999 33 T CA -0.363 61.692 62.100 -0.075 0.000 0.952 33 T CB 1.459 70.307 68.868 -0.033 0.000 0.938 33 T HN 0.323 nan 8.240 nan 0.000 0.444 34 V N 4.896 124.634 119.914 -0.294 0.000 2.407 34 V HA 0.631 4.750 4.120 -0.002 0.000 0.278 34 V C 0.347 176.390 176.094 -0.085 0.000 1.037 34 V CA -0.710 61.442 62.300 -0.246 0.000 0.900 34 V CB 1.024 32.564 31.823 -0.471 0.000 0.983 34 V HN 0.781 nan 8.190 nan 0.000 0.459 35 V N 1.040 120.945 119.914 -0.015 0.000 3.001 35 V HA 0.870 4.989 4.120 -0.002 0.000 0.314 35 V C -1.018 175.111 176.094 0.059 0.000 1.099 35 V CA -0.538 61.785 62.300 0.038 0.000 0.989 35 V CB 2.335 34.176 31.823 0.030 0.000 1.040 35 V HN 0.820 nan 8.190 nan 0.000 0.434 36 D N 0.270 120.718 120.400 0.079 0.000 2.654 36 D HA 0.326 4.965 4.640 -0.002 0.000 0.231 36 D C 0.519 176.863 176.300 0.075 0.000 1.239 36 D CA 0.121 54.169 54.000 0.080 0.000 0.790 36 D CB 2.703 43.569 40.800 0.111 0.000 1.480 36 D HN 0.707 nan 8.370 nan 0.000 0.442 37 V N 0.611 120.563 119.914 0.062 0.000 2.667 37 V HA 0.049 4.168 4.120 -0.002 0.000 0.252 37 V C 0.980 177.109 176.094 0.059 0.000 1.065 37 V CA 0.643 62.978 62.300 0.059 0.000 1.083 37 V CB -0.540 31.317 31.823 0.057 0.000 0.692 37 V HN 0.400 nan 8.190 nan 0.000 0.468 38 N N 1.742 120.480 118.700 0.063 0.000 2.402 38 N HA 0.020 4.759 4.740 -0.002 0.000 0.259 38 N C 0.930 176.487 175.510 0.078 0.000 1.167 38 N CA 0.480 53.568 53.050 0.063 0.000 0.949 38 N CB 0.973 39.495 38.487 0.060 0.000 1.212 38 N HN 0.631 nan 8.380 nan 0.000 0.493 39 E N 1.956 122.195 120.200 0.064 0.000 2.106 39 E HA -0.158 4.191 4.350 -0.002 0.000 0.192 39 E C 1.287 177.925 176.600 0.064 0.000 0.984 39 E CA 1.329 57.769 56.400 0.067 0.000 0.806 39 E CB 0.207 29.939 29.700 0.052 0.000 0.750 39 E HN 0.724 nan 8.360 nan 0.000 0.458 40 S N 0.248 115.976 115.700 0.047 0.000 2.406 40 S HA -0.160 4.309 4.470 -0.002 0.000 0.228 40 S C 2.008 176.624 174.600 0.026 0.000 1.020 40 S CA 0.850 59.067 58.200 0.029 0.000 0.965 40 S CB -0.235 62.973 63.200 0.013 0.000 0.798 40 S HN 0.226 nan 8.310 nan 0.000 0.488 41 R N 0.959 121.491 120.500 0.053 0.000 2.073 41 R HA -0.009 4.330 4.340 -0.002 0.000 0.234 41 R C 2.026 178.433 176.300 0.178 0.000 1.134 41 R CA 1.568 57.714 56.100 0.076 0.000 0.952 41 R CB -0.395 29.981 30.300 0.128 0.000 0.850 41 R HN 0.323 nan 8.270 nan 0.000 0.433 42 I N 2.002 122.701 120.570 0.216 0.000 2.226 42 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 42 I C 1.564 177.789 176.117 0.180 0.000 1.100 42 I CA 1.366 62.827 61.300 0.268 0.000 1.374 42 I CB -1.403 36.725 38.000 0.213 0.000 1.057 42 I HN 0.275 nan 8.210 nan 0.000 0.413 43 N N 1.165 119.926 118.700 0.103 0.000 2.244 43 N HA -0.078 4.661 4.740 -0.002 0.000 0.183 43 N C 1.896 177.410 175.510 0.007 0.000 1.016 43 N CA 1.415 54.501 53.050 0.060 0.000 0.866 43 N CB -0.220 38.292 38.487 0.041 0.000 0.980 43 N HN 0.352 nan 8.380 nan 0.000 0.430 44 A N -0.178 122.619 122.820 -0.040 0.000 1.930 44 A HA -0.081 4.238 4.320 -0.002 0.000 0.217 44 A C 1.980 179.424 177.584 -0.235 0.000 1.175 44 A CA 0.751 52.699 52.037 -0.147 0.000 0.627 44 A CB -1.032 17.841 19.000 -0.212 0.000 0.815 44 A HN 0.383 nan 8.150 nan 0.000 0.443 45 W N 0.557 121.680 121.300 -0.294 0.000 2.392 45 W HA -0.082 4.577 4.660 -0.002 0.000 0.279 45 W C 1.420 177.608 176.519 -0.551 0.000 1.225 45 W CA 0.974 57.940 57.345 -0.631 0.000 1.233 45 W CB -0.010 28.702 29.460 -1.247 0.000 1.122 45 W HN 0.316 nan 8.180 nan 0.000 0.561 46 N N -0.133 118.534 118.700 -0.055 0.000 2.336 46 N HA -0.007 4.732 4.740 -0.002 0.000 0.189 46 N C 0.481 175.990 175.510 -0.002 0.000 1.113 46 N CA 0.653 53.716 53.050 0.022 0.000 0.858 46 N CB -0.037 38.512 38.487 0.103 0.000 0.970 46 N HN 0.010 nan 8.380 nan 0.000 0.471 47 S N 0.094 115.765 115.700 -0.049 0.000 2.713 47 S HA 0.480 4.949 4.470 -0.002 0.000 0.283 47 S C -1.868 172.699 174.600 -0.056 0.000 1.161 47 S CA -1.081 57.090 58.200 -0.048 0.000 0.999 47 S CB 1.928 65.089 63.200 -0.066 0.000 1.039 47 S HN -0.219 nan 8.310 nan 0.000 0.548 48 P HA 0.128 nan 4.420 nan 0.000 0.230 48 P C -0.216 177.048 177.300 -0.058 0.000 1.158 48 P CA 0.849 63.925 63.100 -0.040 0.000 0.769 48 P CB -0.069 31.614 31.700 -0.028 0.000 0.807 49 T N 0.617 115.120 114.554 -0.086 0.000 2.934 49 T HA 0.364 4.713 4.350 -0.002 0.000 0.328 49 T C 0.012 174.600 174.700 -0.187 0.000 1.068 49 T CA -0.585 61.450 62.100 -0.107 0.000 1.018 49 T CB 0.461 69.276 68.868 -0.088 0.000 1.009 49 T HN -0.154 nan 8.240 nan 0.000 0.471 50 L N 4.825 125.903 121.223 -0.243 0.000 2.452 50 L HA 0.271 4.610 4.340 -0.002 0.000 0.267 50 L C -0.787 175.770 176.870 -0.522 0.000 1.188 50 L CA -1.704 52.843 54.840 -0.490 0.000 0.821 50 L CB 0.577 42.310 42.059 -0.543 0.000 1.102 50 L HN 0.376 nan 8.230 nan 0.000 0.470 51 P HA 0.072 nan 4.420 nan 0.000 0.245 51 P C -0.172 176.901 177.300 -0.379 0.000 1.212 51 P CA 0.800 63.589 63.100 -0.519 0.000 0.774 51 P CB 0.430 31.796 31.700 -0.557 0.000 0.999 52 I N 0.198 120.487 120.570 -0.467 0.000 2.499 52 I HA 0.199 4.368 4.170 -0.002 0.000 0.288 52 I C -0.804 175.252 176.117 -0.102 0.000 1.048 52 I CA -1.630 59.565 61.300 -0.175 0.000 1.062 52 I CB 1.646 39.583 38.000 -0.106 0.000 1.238 52 I HN -0.155 nan 8.210 nan 0.000 0.426 53 Y N 6.326 126.591 120.300 -0.057 0.000 2.404 53 Y HA 0.453 5.002 4.550 -0.002 0.000 0.344 53 Y C -0.253 175.663 175.900 0.026 0.000 0.970 53 Y CA 0.036 58.116 58.100 -0.032 0.000 1.180 53 Y CB 0.573 39.025 38.460 -0.014 0.000 1.138 53 Y HN 0.449 nan 8.280 nan 0.000 0.510 54 E N 7.884 127.600 120.200 -0.806 0.000 2.275 54 E HA 0.313 4.662 4.350 -0.002 0.000 0.270 54 E C -2.824 173.299 176.600 -0.795 0.000 0.882 54 E CA -2.380 53.598 56.400 -0.704 0.000 0.758 54 E CB 1.990 31.503 29.700 -0.311 0.000 1.195 54 E HN 0.459 nan 8.360 nan 0.000 0.419 55 P HA 0.043 nan 4.420 nan 0.000 0.262 55 P C 0.822 178.021 177.300 -0.167 0.000 1.182 55 P CA 1.015 63.957 63.100 -0.264 0.000 0.761 55 P CB 0.438 32.085 31.700 -0.088 0.000 0.795 56 G N 2.292 111.029 108.800 -0.106 0.000 2.284 56 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.247 56 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.247 56 G C 0.743 175.577 174.900 -0.111 0.000 1.012 56 G CA 0.326 45.371 45.100 -0.092 0.000 0.618 56 G HN 0.555 nan 8.290 nan 0.000 0.521 57 L N 1.383 122.529 121.223 -0.128 0.000 2.046 57 L HA 0.230 4.569 4.340 -0.002 0.000 0.208 57 L C 2.589 179.436 176.870 -0.038 0.000 1.077 57 L CA 3.236 58.024 54.840 -0.086 0.000 0.747 57 L CB -0.594 41.413 42.059 -0.087 0.000 0.896 57 L HN 0.446 nan 8.230 nan 0.000 0.432 58 K N -0.560 119.819 120.400 -0.035 0.000 2.057 58 K HA -0.259 4.060 4.320 -0.002 0.000 0.207 58 K C 2.168 178.758 176.600 -0.017 0.000 1.049 58 K CA 1.839 58.120 56.287 -0.009 0.000 0.931 58 K CB -0.219 32.285 32.500 0.006 0.000 0.714 58 K HN 0.529 nan 8.250 nan 0.000 0.440 59 E N 0.026 120.202 120.200 -0.040 0.000 2.077 59 E HA -0.164 4.185 4.350 -0.002 0.000 0.193 59 E C 1.871 178.407 176.600 -0.107 0.000 0.989 59 E CA 1.327 57.693 56.400 -0.057 0.000 0.800 59 E CB 0.139 29.803 29.700 -0.061 0.000 0.746 59 E HN 0.156 nan 8.360 nan 0.000 0.452 60 V N 0.594 120.404 119.914 -0.173 0.000 2.261 60 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 60 V C 2.487 178.513 176.094 -0.115 0.000 1.047 60 V CA 1.564 63.688 62.300 -0.294 0.000 1.015 60 V CB -0.473 31.150 31.823 -0.334 0.000 0.642 60 V HN 0.198 nan 8.190 nan 0.000 0.446 61 V N -0.012 119.892 119.914 -0.017 0.000 2.252 61 V HA -0.319 3.800 4.120 -0.002 0.000 0.249 61 V C 2.397 178.522 176.094 0.051 0.000 1.056 61 V CA 2.343 64.691 62.300 0.079 0.000 1.022 61 V CB -0.755 31.178 31.823 0.183 0.000 0.641 61 V HN 0.623 nan 8.190 nan 0.000 0.445 62 E N 0.447 120.662 120.200 0.025 0.000 2.268 62 E HA -0.154 4.195 4.350 -0.002 0.000 0.195 62 E C 2.283 178.889 176.600 0.010 0.000 0.995 62 E CA 1.272 57.682 56.400 0.017 0.000 0.836 62 E CB -0.181 29.525 29.700 0.009 0.000 0.763 62 E HN 0.782 nan 8.360 nan 0.000 0.491 63 S N -0.021 115.687 115.700 0.012 0.000 2.453 63 S HA -0.108 4.361 4.470 -0.002 0.000 0.231 63 S C 2.067 176.686 174.600 0.031 0.000 1.005 63 S CA 0.950 59.176 58.200 0.043 0.000 0.949 63 S CB -0.233 63.036 63.200 0.116 0.000 0.774 63 S HN 0.495 nan 8.310 nan 0.000 0.510 64 C N -0.871 118.430 119.300 0.001 0.000 4.027 64 C HA 0.508 4.967 4.460 -0.002 0.000 0.351 64 C C 0.750 175.649 174.990 -0.153 0.000 1.634 64 C CA -1.044 57.938 59.018 -0.060 0.000 1.897 64 C CB -1.283 26.427 27.740 -0.050 0.000 2.949 64 C HN 0.486 nan 8.230 nan 0.000 0.684 65 R N 1.731 122.168 120.500 -0.104 0.000 2.538 65 R HA 0.405 4.744 4.340 -0.002 0.000 0.282 65 R C 1.527 177.684 176.300 -0.238 0.000 1.009 65 R CA 1.797 57.808 56.100 -0.149 0.000 1.063 65 R CB -0.087 30.246 30.300 0.054 0.000 0.945 65 R HN 1.147 nan 8.270 nan 0.000 0.414 66 G N 3.187 111.677 108.800 -0.518 0.000 2.234 66 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.260 66 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.260 66 G C 0.657 175.387 174.900 -0.284 0.000 0.987 66 G CA 0.765 45.646 45.100 -0.365 0.000 0.625 66 G HN 0.656 nan 8.290 nan 0.000 0.532 67 K N -0.075 120.124 120.400 -0.334 0.000 2.167 67 K HA 0.130 4.449 4.320 -0.002 0.000 0.214 67 K C 1.798 178.345 176.600 -0.087 0.000 1.024 67 K CA 0.928 57.143 56.287 -0.120 0.000 0.951 67 K CB -0.126 32.324 32.500 -0.083 0.000 0.907 67 K HN 0.383 nan 8.250 nan 0.000 0.459 68 N N 0.483 119.064 118.700 -0.198 0.000 2.160 68 N HA 0.051 4.790 4.740 -0.002 0.000 0.226 68 N C -0.666 174.727 175.510 -0.195 0.000 1.256 68 N CA -0.156 52.865 53.050 -0.048 0.000 0.890 68 N CB 0.475 38.950 38.487 -0.020 0.000 1.116 68 N HN 0.033 nan 8.380 nan 0.000 0.517 69 L N 0.684 121.559 121.223 -0.580 0.000 2.356 69 L HA 0.688 5.027 4.340 -0.002 0.000 0.277 69 L C -1.831 174.475 176.870 -0.940 0.000 0.996 69 L CA -0.585 53.926 54.840 -0.548 0.000 0.822 69 L CB 1.035 42.876 42.059 -0.364 0.000 1.256 69 L HN -0.061 nan 8.230 nan 0.000 0.413 70 F N 4.395 124.112 119.950 -0.388 0.000 2.588 70 F HA 0.608 5.134 4.527 -0.002 0.000 0.310 70 F C -0.945 174.509 175.800 -0.577 0.000 1.082 70 F CA -0.431 57.396 58.000 -0.288 0.000 0.929 70 F CB 1.945 40.863 39.000 -0.136 0.000 1.254 70 F HN 0.177 nan 8.300 nan 0.000 0.455 71 F N 1.317 121.342 119.950 0.125 0.000 2.477 71 F HA 0.648 5.174 4.527 -0.002 0.000 0.335 71 F C 0.038 175.892 175.800 0.090 0.000 1.130 71 F CA -0.657 57.371 58.000 0.048 0.000 0.948 71 F CB 2.113 41.137 39.000 0.039 0.000 1.154 71 F HN 0.375 nan 8.300 nan 0.000 0.439 72 S N 0.284 116.101 115.700 0.195 0.000 2.556 72 S HA 0.392 4.861 4.470 -0.002 0.000 0.271 72 S C 0.410 175.073 174.600 0.106 0.000 1.135 72 S CA -0.186 58.096 58.200 0.136 0.000 0.858 72 S CB 1.436 64.686 63.200 0.082 0.000 1.114 72 S HN 0.748 nan 8.310 nan 0.000 0.468 73 T N 0.321 114.929 114.554 0.091 0.000 3.100 73 T HA 0.142 4.491 4.350 -0.002 0.000 0.253 73 T C 0.598 175.328 174.700 0.050 0.000 1.118 73 T CA 0.202 62.345 62.100 0.072 0.000 1.058 73 T CB -0.484 68.425 68.868 0.068 0.000 0.953 73 T HN 0.413 nan 8.240 nan 0.000 0.515 74 N N 1.524 120.248 118.700 0.040 0.000 2.739 74 N HA 0.236 4.975 4.740 -0.002 0.000 0.266 74 N C 0.736 176.255 175.510 0.015 0.000 1.168 74 N CA -0.489 52.574 53.050 0.022 0.000 1.055 74 N CB -0.624 37.868 38.487 0.009 0.000 1.393 74 N HN 0.443 nan 8.380 nan 0.000 0.514 75 I N 0.474 121.058 120.570 0.023 0.000 2.252 75 I HA -0.210 3.959 4.170 -0.002 0.000 0.245 75 I C 1.251 177.374 176.117 0.010 0.000 1.102 75 I CA 0.788 62.100 61.300 0.021 0.000 1.385 75 I CB 0.037 38.058 38.000 0.034 0.000 1.064 75 I HN 0.282 nan 8.210 nan 0.000 0.414 76 D N 0.879 121.284 120.400 0.008 0.000 2.144 76 D HA -0.174 4.465 4.640 -0.002 0.000 0.199 76 D C 1.740 178.033 176.300 -0.011 0.000 0.984 76 D CA 1.253 55.254 54.000 0.000 0.000 0.834 76 D CB -0.326 40.475 40.800 0.003 0.000 0.955 76 D HN 0.293 nan 8.370 nan 0.000 0.465 77 D N 0.141 120.532 120.400 -0.015 0.000 2.162 77 D HA 0.008 4.647 4.640 -0.002 0.000 0.203 77 D C 2.025 178.303 176.300 -0.036 0.000 0.967 77 D CA 0.908 54.892 54.000 -0.028 0.000 0.840 77 D CB -0.185 40.595 40.800 -0.034 0.000 0.972 77 D HN 0.102 nan 8.370 nan 0.000 0.482 78 A N 0.709 123.510 122.820 -0.032 0.000 1.902 78 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 78 A C 2.334 179.899 177.584 -0.032 0.000 1.181 78 A CA 0.850 52.865 52.037 -0.036 0.000 0.623 78 A CB -0.658 18.326 19.000 -0.027 0.000 0.818 78 A HN 0.176 nan 8.150 nan 0.000 0.443 79 I N -0.569 119.987 120.570 -0.023 0.000 2.142 79 I HA -0.265 3.904 4.170 -0.002 0.000 0.240 79 I C 2.563 178.656 176.117 -0.041 0.000 1.078 79 I CA 1.856 63.138 61.300 -0.029 0.000 1.343 79 I CB -0.265 37.723 38.000 -0.020 0.000 1.046 79 I HN 0.368 nan 8.210 nan 0.000 0.405 80 K N 1.096 121.475 120.400 -0.036 0.000 2.074 80 K HA -0.233 4.086 4.320 -0.002 0.000 0.209 80 K C 1.830 178.410 176.600 -0.034 0.000 1.048 80 K CA 1.777 58.043 56.287 -0.036 0.000 0.926 80 K CB -0.013 32.469 32.500 -0.030 0.000 0.713 80 K HN 0.377 nan 8.250 nan 0.000 0.444 81 E N -0.118 120.061 120.200 -0.035 0.000 2.371 81 E HA 0.032 4.381 4.350 -0.002 0.000 0.194 81 E C 0.046 176.631 176.600 -0.024 0.000 1.012 81 E CA -0.009 56.372 56.400 -0.032 0.000 0.860 81 E CB 0.321 29.994 29.700 -0.046 0.000 0.811 81 E HN 0.312 nan 8.360 nan 0.000 0.502 82 A N 1.523 124.324 122.820 -0.031 0.000 2.440 82 A HA 0.012 4.331 4.320 -0.002 0.000 0.251 82 A C 0.454 178.031 177.584 -0.011 0.000 1.089 82 A CA -0.319 51.700 52.037 -0.031 0.000 0.779 82 A CB 0.403 19.373 19.000 -0.050 0.000 1.022 82 A HN -0.014 nan 8.150 nan 0.000 0.492 83 D N 0.642 121.059 120.400 0.029 0.000 2.137 83 D HA 0.003 4.642 4.640 -0.002 0.000 0.202 83 D C 0.325 176.620 176.300 -0.009 0.000 0.970 83 D CA 1.263 55.331 54.000 0.114 0.000 0.837 83 D CB 0.078 41.031 40.800 0.254 0.000 0.981 83 D HN 0.442 nan 8.370 nan 0.000 0.475 84 L N 0.836 122.017 121.223 -0.071 0.000 2.362 84 L HA 0.351 4.690 4.340 -0.002 0.000 0.275 84 L C -1.400 175.339 176.870 -0.218 0.000 0.998 84 L CA -0.569 54.155 54.840 -0.194 0.000 0.820 84 L CB 2.299 44.195 42.059 -0.272 0.000 1.270 84 L HN -0.350 nan 8.230 nan 0.000 0.415 85 V N 4.896 124.681 119.914 -0.216 0.000 2.350 85 V HA 0.380 4.499 4.120 -0.002 0.000 0.285 85 V C -0.409 175.615 176.094 -0.116 0.000 1.014 85 V CA -0.444 61.784 62.300 -0.120 0.000 0.831 85 V CB 1.044 32.840 31.823 -0.046 0.000 1.000 85 V HN 0.469 nan 8.190 nan 0.000 0.433 86 F N 4.513 124.469 119.950 0.009 0.000 2.427 86 F HA 0.463 4.989 4.527 -0.002 0.000 0.352 86 F C 0.604 176.420 175.800 0.027 0.000 1.100 86 F CA -0.599 57.413 58.000 0.021 0.000 1.191 86 F CB 0.871 39.879 39.000 0.013 0.000 1.128 86 F HN 0.296 nan 8.300 nan 0.000 0.533 87 I N 2.845 123.564 120.570 0.249 0.000 2.291 87 I HA 0.123 4.292 4.170 -0.002 0.000 0.290 87 I C 0.483 176.683 176.117 0.138 0.000 1.050 87 I CA 0.053 61.450 61.300 0.161 0.000 1.245 87 I CB 0.910 38.987 38.000 0.128 0.000 1.405 87 I HN 0.501 nan 8.210 nan 0.000 0.478 88 S N 5.769 121.530 115.700 0.102 0.000 2.661 88 S HA 0.227 4.696 4.470 -0.002 0.000 0.245 88 S C 0.053 174.680 174.600 0.046 0.000 1.117 88 S CA -0.573 57.658 58.200 0.051 0.000 1.091 88 S CB -0.143 63.059 63.200 0.003 0.000 0.887 88 S HN 0.444 nan 8.310 nan 0.000 0.491 89 V N 1.467 121.417 119.914 0.060 0.000 3.170 89 V HA 0.590 4.709 4.120 -0.002 0.000 0.309 89 V C 0.210 176.328 176.094 0.039 0.000 1.071 89 V CA -1.203 61.120 62.300 0.038 0.000 1.063 89 V CB 0.534 32.400 31.823 0.073 0.000 1.123 89 V HN 0.603 nan 8.190 nan 0.000 0.464 90 N N 1.011 119.700 118.700 -0.018 0.000 2.525 90 N HA 0.218 4.957 4.740 -0.002 0.000 0.271 90 N C -0.059 175.541 175.510 0.150 0.000 1.194 90 N CA 0.207 53.272 53.050 0.024 0.000 0.964 90 N CB 1.049 39.510 38.487 -0.043 0.000 1.126 90 N HN 1.022 nan 8.380 nan 0.000 0.452 91 T N -2.475 112.153 114.554 0.123 0.000 3.250 91 T HA 0.344 4.693 4.350 -0.002 0.000 0.391 91 T C -2.605 172.154 174.700 0.098 0.000 1.502 91 T CA -1.543 60.638 62.100 0.136 0.000 1.320 91 T CB 0.791 69.709 68.868 0.083 0.000 1.102 91 T HN 0.393 nan 8.240 nan 0.000 0.610 92 P HA 0.250 nan 4.420 nan 0.000 0.274 92 P C -0.063 177.257 177.300 0.033 0.000 1.246 92 P CA -0.155 62.999 63.100 0.089 0.000 0.795 92 P CB 0.568 32.355 31.700 0.146 0.000 1.006 93 T N 1.758 116.312 114.554 0.000 0.000 2.916 93 T HA 0.078 4.427 4.350 -0.002 0.000 0.303 93 T C 0.541 175.181 174.700 -0.100 0.000 1.025 93 T CA -0.132 61.932 62.100 -0.060 0.000 1.142 93 T CB -0.032 68.804 68.868 -0.054 0.000 0.947 93 T HN 0.235 nan 8.240 nan 0.000 0.544 94 K N 2.307 122.565 120.400 -0.236 0.000 2.451 94 K HA 0.098 4.417 4.320 -0.002 0.000 0.280 94 K C 1.216 177.604 176.600 -0.353 0.000 1.020 94 K CA -0.011 55.990 56.287 -0.477 0.000 1.008 94 K CB 0.333 32.380 32.500 -0.754 0.000 0.917 94 K HN 0.722 nan 8.250 nan 0.000 0.478 95 T N 0.135 114.565 114.554 -0.206 0.000 3.223 95 T HA 0.174 4.523 4.350 -0.002 0.000 0.259 95 T C -0.472 174.285 174.700 0.095 0.000 1.015 95 T CA -0.492 61.612 62.100 0.007 0.000 0.908 95 T CB -0.644 68.300 68.868 0.127 0.000 1.054 95 T HN 0.597 nan 8.240 nan 0.000 0.567 96 Y N -3.127 117.156 120.300 -0.027 0.000 2.662 96 Y HA 0.605 5.154 4.550 -0.001 0.000 0.334 96 Y C 0.481 176.364 175.900 -0.028 0.000 1.185 96 Y CA -1.134 56.953 58.100 -0.021 0.000 1.074 96 Y CB 0.602 39.051 38.460 -0.018 0.000 1.330 96 Y HN 0.399 nan 8.280 nan 0.000 0.458 97 G N 1.691 110.577 108.800 0.145 0.000 2.575 97 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.267 97 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.267 97 G C -0.240 174.650 174.900 -0.017 0.000 1.264 97 G CA -0.075 45.085 45.100 0.101 0.000 0.935 97 G HN 1.008 nan 8.290 nan 0.000 0.568 98 M N 1.742 121.342 119.600 -0.002 0.000 2.338 98 M HA 0.303 4.782 4.480 -0.002 0.000 0.360 98 M C 1.613 177.832 176.300 -0.134 0.000 1.547 98 M CA 2.057 57.356 55.300 -0.002 0.000 1.001 98 M CB -0.233 32.397 32.600 0.051 0.000 2.008 98 M HN 2.350 nan 8.290 nan 0.000 0.464 99 G N 2.726 111.454 108.800 -0.120 0.000 2.148 99 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.254 99 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.254 99 G C 0.179 174.847 174.900 -0.387 0.000 0.981 99 G CA 0.301 45.120 45.100 -0.468 0.000 0.670 99 G HN 0.729 nan 8.290 nan 0.000 0.528 100 K N 0.293 120.548 120.400 -0.240 0.000 2.543 100 K HA 0.280 4.599 4.320 -0.002 0.000 0.279 100 K C 1.738 178.249 176.600 -0.148 0.000 1.001 100 K CA 1.510 57.674 56.287 -0.206 0.000 1.088 100 K CB -0.487 31.952 32.500 -0.102 0.000 0.863 100 K HN 1.570 nan 8.250 nan 0.000 0.488 101 G N 3.772 112.487 108.800 -0.142 0.000 2.212 101 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.266 101 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.266 101 G C 0.806 175.655 174.900 -0.083 0.000 0.978 101 G CA 0.702 45.754 45.100 -0.080 0.000 0.632 101 G HN 0.755 nan 8.290 nan 0.000 0.537 102 R N -0.472 119.934 120.500 -0.157 0.000 2.716 102 R HA 0.521 4.860 4.340 -0.002 0.000 0.186 102 R C 1.346 177.490 176.300 -0.260 0.000 0.830 102 R CA 0.332 56.350 56.100 -0.136 0.000 1.059 102 R CB 0.112 30.387 30.300 -0.042 0.000 1.531 102 R HN 0.637 nan 8.270 nan 0.000 0.633 103 A N 1.939 124.412 122.820 -0.578 0.000 2.462 103 A HA 0.558 4.877 4.320 -0.002 0.000 0.243 103 A C 0.190 177.596 177.584 -0.297 0.000 1.076 103 A CA 0.016 51.666 52.037 -0.646 0.000 0.773 103 A CB 0.234 18.669 19.000 -0.941 0.000 1.010 103 A HN 0.365 nan 8.150 nan 0.000 0.493 104 A N 1.842 124.565 122.820 -0.162 0.000 2.388 104 A HA 0.468 4.787 4.320 -0.002 0.000 0.257 104 A C 0.018 177.551 177.584 -0.085 0.000 1.095 104 A CA -0.250 51.738 52.037 -0.082 0.000 0.791 104 A CB 0.134 19.123 19.000 -0.018 0.000 1.029 104 A HN 0.824 nan 8.150 nan 0.000 0.489 105 D N 1.880 122.251 120.400 -0.049 0.000 2.280 105 D HA 0.338 4.977 4.640 -0.002 0.000 0.243 105 D C 0.351 176.651 176.300 -0.000 0.000 1.129 105 D CA -0.094 53.889 54.000 -0.029 0.000 0.848 105 D CB 0.739 41.546 40.800 0.012 0.000 1.107 105 D HN 0.374 nan 8.370 nan 0.000 0.471 106 L N 4.007 125.221 121.223 -0.015 0.000 2.611 106 L HA 0.072 4.411 4.340 -0.002 0.000 0.229 106 L C 2.244 179.089 176.870 -0.042 0.000 1.137 106 L CA -0.097 54.742 54.840 -0.002 0.000 0.901 106 L CB -0.058 42.003 42.059 0.003 0.000 1.098 106 L HN 0.445 nan 8.230 nan 0.000 0.456 107 K N -0.334 119.978 120.400 -0.147 0.000 2.103 107 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 107 K C 1.582 178.047 176.600 -0.225 0.000 1.048 107 K CA 1.649 57.793 56.287 -0.238 0.000 0.930 107 K CB -0.472 31.805 32.500 -0.372 0.000 0.716 107 K HN 0.146 nan 8.250 nan 0.000 0.444 108 Y N 1.739 122.064 120.300 0.043 0.000 2.220 108 Y HA -0.045 4.504 4.550 -0.002 0.000 0.291 108 Y C 2.422 178.347 175.900 0.041 0.000 1.129 108 Y CA 0.391 58.517 58.100 0.043 0.000 1.161 108 Y CB -0.306 38.182 38.460 0.046 0.000 0.997 108 Y HN -0.053 nan 8.280 nan 0.000 0.522 109 I N 0.460 121.131 120.570 0.169 0.000 2.163 109 I HA -0.312 3.857 4.170 -0.002 0.000 0.243 109 I C 2.395 178.550 176.117 0.063 0.000 1.085 109 I CA 1.970 63.332 61.300 0.103 0.000 1.347 109 I CB -1.066 36.976 38.000 0.069 0.000 1.044 109 I HN 0.362 nan 8.210 nan 0.000 0.408 110 E N 1.268 121.488 120.200 0.034 0.000 2.047 110 E HA -0.191 4.158 4.350 -0.002 0.000 0.191 110 E C 2.325 178.949 176.600 0.041 0.000 0.987 110 E CA 1.463 57.872 56.400 0.014 0.000 0.799 110 E CB -0.034 29.662 29.700 -0.006 0.000 0.752 110 E HN 0.386 nan 8.360 nan 0.000 0.449 111 A N 0.697 123.548 122.820 0.052 0.000 1.892 111 A HA -0.271 4.048 4.320 -0.002 0.000 0.218 111 A C 2.546 180.187 177.584 0.095 0.000 1.188 111 A CA 1.742 53.823 52.037 0.074 0.000 0.631 111 A CB -1.227 17.832 19.000 0.098 0.000 0.822 111 A HN 0.581 nan 8.150 nan 0.000 0.447 112 C N -1.289 118.077 119.300 0.111 0.000 2.413 112 C HA 0.021 4.480 4.460 -0.002 0.000 0.276 112 C C 3.353 178.426 174.990 0.139 0.000 1.236 112 C CA 0.862 59.950 59.018 0.117 0.000 1.735 112 C CB -1.469 26.343 27.740 0.120 0.000 2.031 112 C HN 0.727 nan 8.230 nan 0.000 0.474 113 A N 0.628 123.524 122.820 0.126 0.000 1.892 113 A HA -0.249 4.070 4.320 -0.002 0.000 0.218 113 A C 2.225 179.971 177.584 0.271 0.000 1.188 113 A CA 1.851 53.998 52.037 0.182 0.000 0.631 113 A CB -0.609 18.367 19.000 -0.040 0.000 0.822 113 A HN 0.690 nan 8.150 nan 0.000 0.447 114 R N -1.372 119.219 120.500 0.151 0.000 2.096 114 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 114 R C 2.526 178.892 176.300 0.111 0.000 1.127 114 R CA 1.522 57.700 56.100 0.130 0.000 0.968 114 R CB -0.266 30.082 30.300 0.080 0.000 0.861 114 R HN 0.570 nan 8.270 nan 0.000 0.440 115 R N 0.850 121.410 120.500 0.100 0.000 2.090 115 R HA -0.032 4.307 4.340 -0.002 0.000 0.228 115 R C 2.129 178.464 176.300 0.058 0.000 1.110 115 R CA 0.998 57.141 56.100 0.071 0.000 0.973 115 R CB -0.089 30.251 30.300 0.068 0.000 0.869 115 R HN 0.142 nan 8.270 nan 0.000 0.440 116 I N -0.400 120.224 120.570 0.090 0.000 2.142 116 I HA -0.273 3.896 4.170 -0.002 0.000 0.240 116 I C 2.344 178.422 176.117 -0.065 0.000 1.078 116 I CA 1.176 62.495 61.300 0.031 0.000 1.343 116 I CB -0.350 37.709 38.000 0.098 0.000 1.046 116 I HN 0.093 nan 8.210 nan 0.000 0.405 117 V N 0.421 120.313 119.914 -0.038 0.000 2.407 117 V HA -0.334 3.785 4.120 -0.002 0.000 0.248 117 V C 2.413 178.466 176.094 -0.068 0.000 1.055 117 V CA 2.311 64.525 62.300 -0.144 0.000 1.049 117 V CB -0.369 31.454 31.823 0.001 0.000 0.662 117 V HN 0.551 nan 8.190 nan 0.000 0.455 118 Q N -0.167 119.628 119.800 -0.010 0.000 2.124 118 Q HA -0.165 4.174 4.340 -0.002 0.000 0.202 118 Q C 1.487 177.475 176.000 -0.021 0.000 0.977 118 Q CA 1.922 57.722 55.803 -0.005 0.000 0.850 118 Q CB -0.059 28.689 28.738 0.017 0.000 0.901 118 Q HN 0.698 nan 8.270 nan 0.000 0.429 119 N N -0.008 118.675 118.700 -0.029 0.000 2.235 119 N HA 0.114 4.853 4.740 -0.002 0.000 0.209 119 N C -0.913 174.565 175.510 -0.053 0.000 1.122 119 N CA 0.048 53.080 53.050 -0.031 0.000 0.845 119 N CB 1.130 39.606 38.487 -0.018 0.000 1.004 119 N HN -0.044 nan 8.380 nan 0.000 0.499 120 S N 0.607 116.259 115.700 -0.080 0.000 2.482 120 S HA 0.454 4.923 4.470 -0.002 0.000 0.303 120 S C -0.317 174.228 174.600 -0.091 0.000 1.091 120 S CA -0.763 57.373 58.200 -0.106 0.000 1.057 120 S CB 1.900 64.990 63.200 -0.183 0.000 1.031 120 S HN 0.145 nan 8.310 nan 0.000 0.485 121 N N 0.676 119.332 118.700 -0.073 0.000 2.321 121 N HA 0.653 5.392 4.740 -0.002 0.000 0.290 121 N C 0.380 175.863 175.510 -0.045 0.000 1.212 121 N CA -0.080 52.937 53.050 -0.054 0.000 0.767 121 N CB 2.045 40.512 38.487 -0.032 0.000 1.494 121 N HN 0.855 nan 8.380 nan 0.000 0.479 122 G N 0.612 109.395 108.800 -0.028 0.000 2.539 122 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.256 122 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.256 122 G C -0.852 174.056 174.900 0.013 0.000 1.233 122 G CA -0.055 45.049 45.100 0.007 0.000 0.936 122 G HN 0.586 nan 8.290 nan 0.000 0.571 123 Y N 2.733 122.975 120.300 -0.097 0.000 2.313 123 Y HA 0.656 5.205 4.550 -0.002 0.000 0.332 123 Y C 0.546 176.355 175.900 -0.151 0.000 1.071 123 Y CA 0.006 58.016 58.100 -0.150 0.000 1.169 123 Y CB 0.751 39.087 38.460 -0.206 0.000 1.192 123 Y HN 0.581 nan 8.280 nan 0.000 0.487 124 K N 6.747 126.716 120.400 -0.719 0.000 2.532 124 K HA 0.484 4.803 4.320 -0.002 0.000 0.265 124 K C -1.657 174.479 176.600 -0.773 0.000 0.948 124 K CA -0.883 55.020 56.287 -0.639 0.000 0.842 124 K CB 2.484 34.787 32.500 -0.329 0.000 1.392 124 K HN 0.574 nan 8.250 nan 0.000 0.436 125 I N 2.071 122.310 120.570 -0.552 0.000 2.331 125 I HA 0.242 4.411 4.170 -0.002 0.000 0.292 125 I C -0.557 175.425 176.117 -0.224 0.000 0.998 125 I CA -1.016 60.065 61.300 -0.364 0.000 1.267 125 I CB 1.524 39.375 38.000 -0.249 0.000 1.386 125 I HN 0.134 nan 8.210 nan 0.000 0.476 126 V N 5.319 125.160 119.914 -0.121 0.000 2.409 126 V HA 0.424 4.543 4.120 -0.002 0.000 0.291 126 V C -0.109 175.985 176.094 0.001 0.000 1.020 126 V CA -0.354 61.936 62.300 -0.017 0.000 0.848 126 V CB 1.651 33.578 31.823 0.174 0.000 0.990 126 V HN 0.739 nan 8.190 nan 0.000 0.430 127 T N 4.061 118.610 114.554 -0.008 0.000 2.841 127 T HA 0.362 4.711 4.350 -0.002 0.000 0.285 127 T C -0.344 174.469 174.700 0.188 0.000 0.991 127 T CA -0.595 61.542 62.100 0.061 0.000 0.966 127 T CB 1.301 70.163 68.868 -0.008 0.000 0.962 127 T HN 0.688 nan 8.240 nan 0.000 0.438 128 E N 2.332 122.616 120.200 0.140 0.000 2.166 128 E HA 0.111 4.460 4.350 -0.002 0.000 0.279 128 E C 0.775 177.464 176.600 0.147 0.000 1.095 128 E CA -0.213 56.264 56.400 0.127 0.000 0.888 128 E CB 0.990 30.733 29.700 0.071 0.000 1.041 128 E HN 0.482 nan 8.360 nan 0.000 0.414 129 K N 2.103 122.593 120.400 0.149 0.000 2.276 129 K HA -0.004 4.316 4.320 -0.002 0.000 0.198 129 K C 0.436 177.024 176.600 -0.021 0.000 1.052 129 K CA 0.182 56.494 56.287 0.041 0.000 0.984 129 K CB 0.449 32.888 32.500 -0.102 0.000 0.836 129 K HN 0.392 nan 8.250 nan 0.000 0.490 130 S N 0.133 115.840 115.700 0.012 0.000 2.601 130 S HA 0.182 4.651 4.470 -0.002 0.000 0.271 130 S C -0.121 174.473 174.600 -0.010 0.000 1.305 130 S CA -0.811 57.391 58.200 0.003 0.000 1.022 130 S CB 1.247 64.467 63.200 0.034 0.000 0.940 130 S HN 0.134 nan 8.310 nan 0.000 0.525 131 T N 2.377 116.918 114.554 -0.023 0.000 2.867 131 T HA 0.430 4.779 4.350 -0.002 0.000 0.297 131 T C 0.242 174.946 174.700 0.006 0.000 0.989 131 T CA -0.222 61.862 62.100 -0.027 0.000 1.159 131 T CB -0.306 68.543 68.868 -0.031 0.000 0.928 131 T HN 0.932 nan 8.240 nan 0.000 0.538 132 V N 2.107 122.028 119.914 0.012 0.000 3.078 132 V HA 0.797 4.916 4.120 -0.002 0.000 0.311 132 V C -2.708 173.408 176.094 0.036 0.000 1.138 132 V CA -2.804 59.515 62.300 0.032 0.000 1.007 132 V CB 1.768 33.618 31.823 0.045 0.000 1.045 132 V HN 0.557 nan 8.190 nan 0.000 0.432 133 P HA 0.239 nan 4.420 nan 0.000 0.272 133 P C -0.177 177.160 177.300 0.062 0.000 1.223 133 P CA -0.048 63.082 63.100 0.049 0.000 0.784 133 P CB 0.928 32.661 31.700 0.055 0.000 0.923 134 V N 4.728 124.677 119.914 0.058 0.000 2.585 134 V HA 0.030 4.149 4.120 -0.002 0.000 0.296 134 V C 1.600 177.717 176.094 0.039 0.000 1.035 134 V CA 0.227 62.575 62.300 0.080 0.000 1.084 134 V CB -0.544 31.313 31.823 0.057 0.000 0.953 134 V HN 0.692 nan 8.190 nan 0.000 0.483 135 R N 1.661 122.221 120.500 0.101 0.000 3.919 135 R HA -0.223 4.116 4.340 -0.002 0.000 0.412 135 R C 1.404 177.735 176.300 0.053 0.000 1.102 135 R CA 0.936 56.998 56.100 -0.064 0.000 1.082 135 R CB -2.063 28.022 30.300 -0.359 0.000 1.671 135 R HN 0.950 nan 8.270 nan 0.000 0.540 136 A N 0.557 123.441 122.820 0.107 0.000 1.978 136 A HA 0.022 4.341 4.320 -0.002 0.000 0.220 136 A C 2.288 179.933 177.584 0.101 0.000 1.170 136 A CA 2.018 54.102 52.037 0.079 0.000 0.636 136 A CB -0.315 18.726 19.000 0.068 0.000 0.810 136 A HN 0.539 nan 8.150 nan 0.000 0.448 137 A N -0.416 122.535 122.820 0.219 0.000 1.933 137 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 137 A C 1.982 179.688 177.584 0.203 0.000 1.175 137 A CA 1.722 53.872 52.037 0.187 0.000 0.628 137 A CB -0.478 18.627 19.000 0.175 0.000 0.814 137 A HN 0.674 nan 8.150 nan 0.000 0.444 138 E N 0.042 120.434 120.200 0.321 0.000 2.153 138 E HA -0.140 4.209 4.350 -0.002 0.000 0.194 138 E C 2.020 178.639 176.600 0.033 0.000 0.988 138 E CA 1.288 57.800 56.400 0.187 0.000 0.811 138 E CB -0.042 29.661 29.700 0.004 0.000 0.746 138 E HN 0.603 nan 8.360 nan 0.000 0.466 139 S N 0.460 116.157 115.700 -0.005 0.000 2.368 139 S HA -0.113 4.356 4.470 -0.002 0.000 0.224 139 S C 1.938 176.464 174.600 -0.125 0.000 1.029 139 S CA 0.929 59.099 58.200 -0.049 0.000 0.988 139 S CB -0.186 62.991 63.200 -0.037 0.000 0.838 139 S HN 0.284 nan 8.310 nan 0.000 0.462 140 I N 1.430 121.886 120.570 -0.190 0.000 2.163 140 I HA -0.238 3.931 4.170 -0.002 0.000 0.243 140 I C 2.707 178.439 176.117 -0.642 0.000 1.085 140 I CA 1.319 62.334 61.300 -0.475 0.000 1.347 140 I CB -0.316 37.409 38.000 -0.458 0.000 1.044 140 I HN 0.175 nan 8.210 nan 0.000 0.408 141 R N 0.364 120.687 120.500 -0.295 0.000 2.091 141 R HA -0.175 4.164 4.340 -0.002 0.000 0.238 141 R C 2.466 178.750 176.300 -0.026 0.000 1.136 141 R CA 1.500 57.541 56.100 -0.099 0.000 0.959 141 R CB -0.305 30.018 30.300 0.038 0.000 0.856 141 R HN 0.332 nan 8.270 nan 0.000 0.437 142 R N 0.162 120.638 120.500 -0.040 0.000 2.075 142 R HA -0.060 4.279 4.340 -0.002 0.000 0.232 142 R C 2.281 178.587 176.300 0.011 0.000 1.126 142 R CA 1.362 57.462 56.100 -0.001 0.000 0.963 142 R CB -0.321 29.974 30.300 -0.009 0.000 0.858 142 R HN 0.197 nan 8.270 nan 0.000 0.435 143 I N 0.115 120.661 120.570 -0.040 0.000 2.163 143 I HA -0.297 3.872 4.170 -0.002 0.000 0.243 143 I C 1.784 178.008 176.117 0.178 0.000 1.085 143 I CA 1.220 62.531 61.300 0.019 0.000 1.347 143 I CB -0.248 37.725 38.000 -0.045 0.000 1.044 143 I HN 0.047 nan 8.210 nan 0.000 0.408 144 F N 1.061 121.019 119.950 0.013 0.000 2.102 144 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 144 F C 2.428 178.232 175.800 0.006 0.000 1.105 144 F CA 1.122 59.125 58.000 0.005 0.000 1.239 144 F CB -1.334 37.665 39.000 -0.002 0.000 0.991 144 F HN 0.146 nan 8.300 nan 0.000 0.474 145 D N 0.107 120.629 120.400 0.204 0.000 2.117 145 D HA -0.130 4.509 4.640 -0.002 0.000 0.197 145 D C 2.340 178.690 176.300 0.083 0.000 0.987 145 D CA 1.539 55.608 54.000 0.115 0.000 0.829 145 D CB -0.624 40.226 40.800 0.084 0.000 0.961 145 D HN 0.207 nan 8.370 nan 0.000 0.460 146 A N 0.460 123.327 122.820 0.078 0.000 2.070 146 A HA -0.107 4.212 4.320 -0.002 0.000 0.220 146 A C 1.459 179.078 177.584 0.058 0.000 1.159 146 A CA 0.965 53.036 52.037 0.057 0.000 0.656 146 A CB -0.116 18.913 19.000 0.047 0.000 0.800 146 A HN 0.151 nan 8.150 nan 0.000 0.453 147 N N -0.288 118.459 118.700 0.079 0.000 2.401 147 N HA 0.052 4.791 4.740 -0.002 0.000 0.264 147 N C -0.162 175.373 175.510 0.040 0.000 1.238 147 N CA 0.067 53.155 53.050 0.062 0.000 0.889 147 N CB 0.589 39.127 38.487 0.083 0.000 1.196 147 N HN 0.297 nan 8.380 nan 0.000 0.511 148 T N 0.806 115.382 114.554 0.037 0.000 2.860 148 T HA 0.230 4.579 4.350 -0.002 0.000 0.299 148 T C 0.013 174.714 174.700 0.001 0.000 1.045 148 T CA 0.415 62.523 62.100 0.014 0.000 1.071 148 T CB 0.754 69.635 68.868 0.022 0.000 0.985 148 T HN 0.121 nan 8.240 nan 0.000 0.537 149 K N 2.832 123.223 120.400 -0.014 0.000 2.433 149 K HA 0.526 4.845 4.320 -0.002 0.000 0.252 149 K C -2.812 173.780 176.600 -0.013 0.000 1.015 149 K CA -2.118 54.161 56.287 -0.013 0.000 0.860 149 K CB 1.136 33.623 32.500 -0.022 0.000 1.359 149 K HN 0.309 nan 8.250 nan 0.000 0.452 150 P HA 0.060 nan 4.420 nan 0.000 0.264 150 P C -0.904 176.390 177.300 -0.010 0.000 1.193 150 P CA 0.444 63.540 63.100 -0.007 0.000 0.763 150 P CB 0.063 31.760 31.700 -0.005 0.000 0.810 151 N N -1.206 117.490 118.700 -0.007 0.000 2.863 151 N HA -0.222 4.517 4.740 -0.002 0.000 0.245 151 N C -0.270 175.235 175.510 -0.009 0.000 1.001 151 N CA 0.019 53.066 53.050 -0.005 0.000 0.901 151 N CB -1.537 36.948 38.487 -0.004 0.000 1.124 151 N HN 0.264 nan 8.380 nan 0.000 0.582 152 L N 1.448 122.657 121.223 -0.024 0.000 2.313 152 L HA 0.445 4.784 4.340 -0.002 0.000 0.282 152 L C -0.110 176.734 176.870 -0.044 0.000 1.092 152 L CA 0.035 54.844 54.840 -0.052 0.000 0.831 152 L CB 0.772 42.783 42.059 -0.080 0.000 1.159 152 L HN 0.137 nan 8.230 nan 0.000 0.442 153 N N 5.423 124.095 118.700 -0.047 0.000 2.664 153 N HA 0.313 5.052 4.740 -0.002 0.000 0.257 153 N C -1.781 173.640 175.510 -0.148 0.000 1.108 153 N CA -0.311 52.729 53.050 -0.017 0.000 0.822 153 N CB 0.378 38.940 38.487 0.126 0.000 1.199 153 N HN 0.589 nan 8.380 nan 0.000 0.529 154 L N 2.287 123.399 121.223 -0.185 0.000 2.262 154 L HA 0.450 4.789 4.340 -0.002 0.000 0.288 154 L C 0.097 176.921 176.870 -0.077 0.000 1.035 154 L CA -0.728 53.958 54.840 -0.257 0.000 0.820 154 L CB 1.212 42.963 42.059 -0.514 0.000 1.204 154 L HN 0.203 nan 8.230 nan 0.000 0.424 155 Q N 3.282 122.992 119.800 -0.151 0.000 2.278 155 Q HA 0.401 4.740 4.340 -0.002 0.000 0.257 155 Q C -0.559 175.432 176.000 -0.016 0.000 0.928 155 Q CA -0.508 55.260 55.803 -0.059 0.000 0.932 155 Q CB 2.789 31.473 28.738 -0.091 0.000 1.221 155 Q HN 0.337 nan 8.270 nan 0.000 0.434 156 V N 4.800 124.732 119.914 0.031 0.000 2.407 156 V HA 0.441 4.560 4.120 -0.002 0.000 0.278 156 V C 0.175 176.245 176.094 -0.040 0.000 1.037 156 V CA -0.413 61.901 62.300 0.022 0.000 0.900 156 V CB 1.049 32.885 31.823 0.023 0.000 0.983 156 V HN 0.559 nan 8.190 nan 0.000 0.459 157 L N 3.395 124.600 121.223 -0.030 0.000 2.341 157 L HA 0.634 4.973 4.340 -0.002 0.000 0.267 157 L C 0.019 176.881 176.870 -0.014 0.000 1.009 157 L CA -0.455 54.362 54.840 -0.039 0.000 0.819 157 L CB 2.309 44.361 42.059 -0.011 0.000 1.323 157 L HN 0.632 nan 8.230 nan 0.000 0.425 158 S N 1.762 117.443 115.700 -0.031 0.000 2.489 158 S HA 0.371 4.840 4.470 -0.002 0.000 0.291 158 S C -0.553 174.073 174.600 0.043 0.000 1.151 158 S CA -0.561 57.642 58.200 0.004 0.000 1.082 158 S CB 0.680 63.863 63.200 -0.029 0.000 1.019 158 S HN 0.756 nan 8.310 nan 0.000 0.492 159 N N 4.930 123.679 118.700 0.082 0.000 2.722 159 N HA 0.311 5.050 4.740 -0.002 0.000 0.242 159 N C -3.083 172.439 175.510 0.020 0.000 1.398 159 N CA -1.403 51.708 53.050 0.103 0.000 0.755 159 N CB 1.156 39.807 38.487 0.274 0.000 1.268 159 N HN 0.353 nan 8.380 nan 0.000 0.522 160 P HA 0.061 nan 4.420 nan 0.000 0.272 160 P C -0.810 176.252 177.300 -0.397 0.000 1.230 160 P CA 0.136 63.081 63.100 -0.260 0.000 0.788 160 P CB 0.569 32.036 31.700 -0.390 0.000 0.949 161 E N 0.467 120.402 120.200 -0.441 0.000 2.216 161 E HA 0.433 4.782 4.350 -0.002 0.000 0.279 161 E C -1.333 174.926 176.600 -0.568 0.000 0.997 161 E CA -0.260 55.940 56.400 -0.332 0.000 0.817 161 E CB 0.282 29.897 29.700 -0.142 0.000 1.096 161 E HN 0.203 nan 8.360 nan 0.000 0.393 162 F N 2.941 122.905 119.950 0.023 0.000 2.627 162 F HA 0.311 4.837 4.527 -0.002 0.000 0.329 162 F C -0.803 175.030 175.800 0.055 0.000 1.378 162 F CA -0.653 57.365 58.000 0.030 0.000 1.134 162 F CB 0.349 39.348 39.000 -0.002 0.000 1.229 162 F HN 0.322 nan 8.300 nan 0.000 0.537 163 L N 1.665 122.998 121.223 0.183 0.000 2.292 163 L HA 0.735 5.074 4.340 -0.002 0.000 0.284 163 L C 0.420 177.414 176.870 0.205 0.000 1.065 163 L CA -0.870 54.085 54.840 0.192 0.000 0.806 163 L CB 1.315 43.499 42.059 0.208 0.000 1.175 163 L HN 0.313 nan 8.230 nan 0.000 0.431 164 A N 3.039 125.968 122.820 0.181 0.000 2.306 164 A HA 0.295 4.614 4.320 -0.002 0.000 0.314 164 A C -0.001 177.699 177.584 0.193 0.000 1.164 164 A CA -0.531 51.604 52.037 0.163 0.000 0.822 164 A CB 0.794 19.878 19.000 0.140 0.000 1.130 164 A HN 0.722 nan 8.150 nan 0.000 0.496 165 E N 0.944 121.254 120.200 0.184 0.000 2.415 165 E HA 0.260 4.609 4.350 -0.002 0.000 0.263 165 E C 1.255 177.943 176.600 0.147 0.000 0.995 165 E CA 1.510 58.036 56.400 0.209 0.000 0.915 165 E CB 0.364 30.171 29.700 0.180 0.000 0.951 165 E HN 1.473 nan 8.360 nan 0.000 0.449 166 G N 3.386 112.276 108.800 0.151 0.000 2.225 166 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.254 166 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.254 166 G C 0.663 175.585 174.900 0.037 0.000 0.988 166 G CA 0.806 45.947 45.100 0.070 0.000 0.625 166 G HN 0.703 nan 8.290 nan 0.000 0.527 167 T N -3.176 111.415 114.554 0.061 0.000 3.337 167 T HA 0.715 5.064 4.350 -0.002 0.000 0.299 167 T C 1.831 176.558 174.700 0.045 0.000 0.998 167 T CA 1.172 63.297 62.100 0.042 0.000 0.948 167 T CB 0.680 69.580 68.868 0.053 0.000 1.170 167 T HN 1.328 nan 8.240 nan 0.000 0.508 168 A N 2.294 125.134 122.820 0.033 0.000 1.883 168 A HA 0.074 4.393 4.320 -0.002 0.000 0.217 168 A C 2.175 179.752 177.584 -0.010 0.000 1.186 168 A CA 1.193 53.236 52.037 0.010 0.000 0.624 168 A CB -0.607 18.333 19.000 -0.099 0.000 0.822 168 A HN 0.506 nan 8.150 nan 0.000 0.444 169 I N 0.140 120.684 120.570 -0.044 0.000 2.226 169 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 169 I C 3.031 179.149 176.117 0.001 0.000 1.100 169 I CA 2.029 63.302 61.300 -0.045 0.000 1.374 169 I CB -1.508 36.441 38.000 -0.084 0.000 1.057 169 I HN 0.509 nan 8.210 nan 0.000 0.413 170 K N 0.492 120.900 120.400 0.014 0.000 2.097 170 K HA -0.176 4.143 4.320 -0.002 0.000 0.205 170 K C 1.714 178.358 176.600 0.073 0.000 1.050 170 K CA 1.748 58.060 56.287 0.042 0.000 0.938 170 K CB -0.908 31.613 32.500 0.035 0.000 0.718 170 K HN 0.341 nan 8.250 nan 0.000 0.442 171 D N 0.583 121.028 120.400 0.076 0.000 2.117 171 D HA -0.072 4.567 4.640 -0.002 0.000 0.197 171 D C 1.964 178.347 176.300 0.139 0.000 0.987 171 D CA 1.074 55.134 54.000 0.100 0.000 0.829 171 D CB -0.096 40.769 40.800 0.108 0.000 0.961 171 D HN 0.396 nan 8.370 nan 0.000 0.460 172 L N 0.437 121.744 121.223 0.139 0.000 2.056 172 L HA -0.137 4.202 4.340 -0.002 0.000 0.207 172 L C 2.308 179.396 176.870 0.362 0.000 1.078 172 L CA 1.197 56.168 54.840 0.219 0.000 0.749 172 L CB -0.171 41.963 42.059 0.125 0.000 0.901 172 L HN -0.055 nan 8.230 nan 0.000 0.433 173 K N -0.597 119.943 120.400 0.234 0.000 2.296 173 K HA -0.071 4.248 4.320 -0.002 0.000 0.200 173 K C 0.454 177.269 176.600 0.358 0.000 1.048 173 K CA 0.612 57.069 56.287 0.284 0.000 0.966 173 K CB 0.048 32.615 32.500 0.112 0.000 0.754 173 K HN 0.089 nan 8.250 nan 0.000 0.466 174 N N 0.566 119.403 118.700 0.230 0.000 2.687 174 N HA 0.119 4.858 4.740 -0.002 0.000 0.275 174 N C -2.935 172.634 175.510 0.097 0.000 1.789 174 N CA -1.745 51.397 53.050 0.153 0.000 0.806 174 N CB 0.770 39.322 38.487 0.108 0.000 1.256 174 N HN -0.143 nan 8.380 nan 0.000 0.500 175 P HA 0.242 nan 4.420 nan 0.000 0.275 175 P C 0.099 177.382 177.300 -0.027 0.000 1.227 175 P CA -0.099 63.024 63.100 0.038 0.000 0.781 175 P CB 1.470 33.192 31.700 0.037 0.000 0.906 176 D N 1.154 121.518 120.400 -0.060 0.000 2.123 176 D HA -0.125 4.514 4.640 -0.002 0.000 0.196 176 D C 1.054 177.271 176.300 -0.140 0.000 0.992 176 D CA 1.796 55.733 54.000 -0.104 0.000 0.833 176 D CB 0.164 40.877 40.800 -0.145 0.000 0.954 176 D HN 0.466 nan 8.370 nan 0.000 0.455 177 R N -0.873 119.519 120.500 -0.181 0.000 2.710 177 R HA 0.461 4.800 4.340 -0.002 0.000 0.270 177 R C -1.683 174.521 176.300 -0.160 0.000 1.021 177 R CA -0.815 55.176 56.100 -0.181 0.000 0.889 177 R CB 0.655 30.832 30.300 -0.206 0.000 1.243 177 R HN -0.173 nan 8.270 nan 0.000 0.464 178 V N 2.082 121.882 119.914 -0.189 0.000 2.435 178 V HA 0.477 4.596 4.120 -0.002 0.000 0.290 178 V C -0.566 175.436 176.094 -0.153 0.000 1.030 178 V CA -0.926 61.225 62.300 -0.248 0.000 0.881 178 V CB 1.410 32.885 31.823 -0.581 0.000 0.983 178 V HN 0.632 nan 8.190 nan 0.000 0.445 179 L N 7.049 128.248 121.223 -0.039 0.000 2.333 179 L HA 0.696 5.035 4.340 -0.002 0.000 0.280 179 L C -0.742 176.127 176.870 -0.001 0.000 1.004 179 L CA 0.092 54.946 54.840 0.022 0.000 0.820 179 L CB 1.214 43.385 42.059 0.186 0.000 1.247 179 L HN 0.549 nan 8.230 nan 0.000 0.416 180 I N 4.661 125.225 120.570 -0.010 0.000 2.478 180 I HA 0.559 4.728 4.170 -0.002 0.000 0.287 180 I C 0.198 176.305 176.117 -0.018 0.000 1.042 180 I CA -0.634 60.671 61.300 0.008 0.000 1.067 180 I CB 2.050 40.069 38.000 0.031 0.000 1.233 180 I HN 0.738 nan 8.210 nan 0.000 0.431 181 G N 3.432 112.211 108.800 -0.036 0.000 2.416 181 G HA2 0.790 4.749 3.960 -0.002 0.000 0.329 181 G HA3 0.790 4.749 3.960 -0.002 0.000 0.329 181 G C -0.573 174.252 174.900 -0.124 0.000 1.173 181 G CA -0.658 44.385 45.100 -0.095 0.000 0.929 181 G HN 0.832 nan 8.290 nan 0.000 0.475 182 G N 0.789 109.496 108.800 -0.155 0.000 2.682 182 G HA2 0.564 4.523 3.960 -0.002 0.000 0.290 182 G HA3 0.564 4.523 3.960 -0.002 0.000 0.290 182 G C -1.209 173.573 174.900 -0.196 0.000 1.425 182 G CA -0.627 44.377 45.100 -0.160 0.000 0.807 182 G HN 0.815 nan 8.290 nan 0.000 0.482 183 D N -1.782 118.515 120.400 -0.171 0.000 2.358 183 D HA 0.439 5.078 4.640 -0.002 0.000 0.244 183 D C 0.688 176.943 176.300 -0.074 0.000 1.163 183 D CA 0.122 54.038 54.000 -0.140 0.000 0.945 183 D CB 0.769 41.512 40.800 -0.095 0.000 1.152 183 D HN 0.649 nan 8.370 nan 0.000 0.451 184 E N -0.207 119.964 120.200 -0.048 0.000 2.351 184 E HA 0.303 4.652 4.350 -0.002 0.000 0.236 184 E C 0.423 177.016 176.600 -0.011 0.000 1.341 184 E CA -0.339 56.045 56.400 -0.026 0.000 1.579 184 E CB -1.090 28.601 29.700 -0.015 0.000 1.393 184 E HN 0.611 nan 8.360 nan 0.000 0.438 185 T N -3.823 110.725 114.554 -0.010 0.000 2.952 185 T HA 0.517 4.866 4.350 -0.002 0.000 0.286 185 T C -1.832 172.867 174.700 -0.003 0.000 1.024 185 T CA -1.748 60.351 62.100 -0.001 0.000 1.029 185 T CB 1.887 70.757 68.868 0.005 0.000 1.094 185 T HN -0.101 nan 8.240 nan 0.000 0.515 186 P HA -0.127 nan 4.420 nan 0.000 0.216 186 P C 1.575 178.873 177.300 -0.004 0.000 1.153 186 P CA 1.078 64.175 63.100 -0.005 0.000 0.858 186 P CB 0.113 31.808 31.700 -0.008 0.000 0.789 187 E N -0.787 119.414 120.200 0.001 0.000 2.047 187 E HA -0.091 4.258 4.350 -0.002 0.000 0.191 187 E C 2.315 178.931 176.600 0.025 0.000 0.987 187 E CA 1.626 58.035 56.400 0.016 0.000 0.799 187 E CB -1.179 28.540 29.700 0.031 0.000 0.752 187 E HN 0.262 nan 8.360 nan 0.000 0.449 188 G N 1.074 109.879 108.800 0.009 0.000 2.432 188 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.219 188 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.219 188 G C 1.538 176.435 174.900 -0.004 0.000 1.135 188 G CA 0.362 45.458 45.100 -0.006 0.000 0.767 188 G HN 0.131 nan 8.290 nan 0.000 0.550 189 Q N 0.041 119.840 119.800 -0.002 0.000 2.245 189 Q HA 0.106 4.445 4.340 -0.002 0.000 0.201 189 Q C 2.692 178.703 176.000 0.018 0.000 0.955 189 Q CA 0.442 56.246 55.803 0.002 0.000 0.870 189 Q CB -0.131 28.605 28.738 -0.003 0.000 0.945 189 Q HN 0.477 nan 8.270 nan 0.000 0.461 190 R N 0.159 120.672 120.500 0.021 0.000 2.090 190 R HA 0.031 4.370 4.340 -0.002 0.000 0.228 190 R C 2.191 178.534 176.300 0.073 0.000 1.110 190 R CA 0.953 57.075 56.100 0.037 0.000 0.973 190 R CB -0.220 30.081 30.300 0.002 0.000 0.869 190 R HN 0.151 nan 8.270 nan 0.000 0.440 191 A N 0.876 123.739 122.820 0.071 0.000 1.877 191 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 191 A C 2.355 179.974 177.584 0.060 0.000 1.186 191 A CA 1.357 53.438 52.037 0.073 0.000 0.620 191 A CB -0.615 18.401 19.000 0.027 0.000 0.822 191 A HN 0.092 nan 8.150 nan 0.000 0.443 192 V N -0.317 119.620 119.914 0.038 0.000 2.287 192 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 192 V C 2.888 179.020 176.094 0.064 0.000 1.053 192 V CA 2.390 64.713 62.300 0.039 0.000 1.027 192 V CB -1.119 30.711 31.823 0.012 0.000 0.646 192 V HN 0.760 nan 8.190 nan 0.000 0.447 193 Q N -0.450 119.387 119.800 0.062 0.000 2.096 193 Q HA -0.230 4.109 4.340 -0.002 0.000 0.204 193 Q C 2.360 178.420 176.000 0.100 0.000 0.982 193 Q CA 2.058 57.902 55.803 0.069 0.000 0.850 193 Q CB -0.790 27.983 28.738 0.057 0.000 0.901 193 Q HN 0.818 nan 8.270 nan 0.000 0.422 194 A N 0.119 123.022 122.820 0.138 0.000 1.933 194 A HA -0.071 4.248 4.320 -0.002 0.000 0.218 194 A C 2.120 179.789 177.584 0.142 0.000 1.175 194 A CA 1.753 53.905 52.037 0.192 0.000 0.628 194 A CB -0.677 18.533 19.000 0.349 0.000 0.814 194 A HN 0.563 nan 8.150 nan 0.000 0.444 195 L N -0.609 120.687 121.223 0.121 0.000 2.131 195 L HA -0.064 4.275 4.340 -0.002 0.000 0.206 195 L C 2.401 179.381 176.870 0.184 0.000 1.087 195 L CA 1.708 56.620 54.840 0.120 0.000 0.767 195 L CB -0.830 41.312 42.059 0.138 0.000 0.917 195 L HN 0.448 nan 8.230 nan 0.000 0.441 196 C N -0.206 119.195 119.300 0.168 0.000 2.401 196 C HA -0.187 4.272 4.460 -0.002 0.000 0.276 196 C C 2.989 178.057 174.990 0.130 0.000 1.233 196 C CA 0.838 59.950 59.018 0.158 0.000 1.753 196 C CB -1.626 26.164 27.740 0.083 0.000 2.029 196 C HN 0.704 nan 8.230 nan 0.000 0.478 197 A N -0.061 122.825 122.820 0.110 0.000 2.019 197 A HA -0.060 4.259 4.320 -0.002 0.000 0.219 197 A C 2.229 179.943 177.584 0.216 0.000 1.164 197 A CA 1.954 54.057 52.037 0.110 0.000 0.644 197 A CB -0.519 18.535 19.000 0.091 0.000 0.805 197 A HN 0.403 nan 8.150 nan 0.000 0.449 198 V N -1.592 118.411 119.914 0.148 0.000 2.270 198 V HA -0.273 3.846 4.120 -0.002 0.000 0.245 198 V C 2.293 178.436 176.094 0.082 0.000 1.043 198 V CA 1.943 64.293 62.300 0.083 0.000 1.014 198 V CB -1.131 30.616 31.823 -0.126 0.000 0.645 198 V HN 0.680 nan 8.190 nan 0.000 0.447 199 Y N 0.527 120.816 120.300 -0.019 0.000 2.274 199 Y HA -0.184 4.365 4.550 -0.001 0.000 0.290 199 Y C 2.542 178.177 175.900 -0.442 0.000 1.145 199 Y CA 1.445 59.247 58.100 -0.498 0.000 1.203 199 Y CB -0.216 37.996 38.460 -0.414 0.000 0.984 199 Y HN 0.327 nan 8.280 nan 0.000 0.533 200 E N -0.826 119.385 120.200 0.019 0.000 2.401 200 E HA -0.198 4.152 4.350 -0.002 0.000 0.199 200 E C 1.266 177.898 176.600 0.053 0.000 1.023 200 E CA 0.646 57.044 56.400 -0.004 0.000 0.859 200 E CB -0.161 29.535 29.700 -0.008 0.000 0.780 200 E HN 0.664 nan 8.360 nan 0.000 0.523 201 H N -1.225 117.909 119.070 0.107 0.000 2.456 201 H HA -0.144 4.411 4.556 -0.002 0.000 0.296 201 H C 1.299 176.840 175.328 0.354 0.000 1.079 201 H CA 1.737 57.926 56.048 0.235 0.000 1.322 201 H CB -0.059 29.897 29.762 0.324 0.000 1.388 201 H HN 0.505 nan 8.280 nan 0.000 0.538 202 W N -2.313 119.091 121.300 0.174 0.000 1.807 202 W HA 0.451 5.110 4.660 -0.002 0.000 0.251 202 W C -1.437 175.148 176.519 0.110 0.000 0.848 202 W CA -0.177 57.241 57.345 0.122 0.000 1.157 202 W CB 0.427 29.959 29.460 0.120 0.000 0.992 202 W HN -0.303 nan 8.180 nan 0.000 0.506 203 V N 3.711 123.426 119.914 -0.332 0.000 2.409 203 V HA 0.436 4.555 4.120 -0.002 0.000 0.291 203 V C -1.985 174.026 176.094 -0.139 0.000 1.020 203 V CA -2.146 59.976 62.300 -0.296 0.000 0.848 203 V CB 1.366 32.906 31.823 -0.471 0.000 0.990 203 V HN -0.262 nan 8.190 nan 0.000 0.430 204 P HA 0.102 nan 4.420 nan 0.000 0.265 204 P C 0.580 177.840 177.300 -0.066 0.000 1.187 204 P CA -0.203 62.867 63.100 -0.051 0.000 0.766 204 P CB 0.675 32.355 31.700 -0.034 0.000 0.820 205 R N 3.807 124.277 120.500 -0.050 0.000 2.120 205 R HA -0.173 4.166 4.340 -0.002 0.000 0.234 205 R C 1.839 178.107 176.300 -0.053 0.000 1.123 205 R CA 1.745 57.816 56.100 -0.049 0.000 0.975 205 R CB -0.902 29.378 30.300 -0.034 0.000 0.866 205 R HN 0.563 nan 8.270 nan 0.000 0.446 206 E N 0.484 120.655 120.200 -0.048 0.000 2.265 206 E HA -0.203 4.146 4.350 -0.002 0.000 0.196 206 E C 0.499 177.061 176.600 -0.064 0.000 0.996 206 E CA 1.257 57.628 56.400 -0.049 0.000 0.832 206 E CB -0.134 29.542 29.700 -0.040 0.000 0.756 206 E HN 0.348 nan 8.360 nan 0.000 0.491 207 K N 0.567 120.920 120.400 -0.077 0.000 2.397 207 K HA 0.338 4.657 4.320 -0.002 0.000 0.202 207 K C 0.094 176.619 176.600 -0.124 0.000 1.022 207 K CA -0.113 56.115 56.287 -0.098 0.000 1.141 207 K CB 0.578 33.020 32.500 -0.096 0.000 0.857 207 K HN 0.097 nan 8.250 nan 0.000 0.514 208 I N 2.150 122.654 120.570 -0.111 0.000 2.330 208 I HA 0.186 4.355 4.170 -0.002 0.000 0.289 208 I C -1.013 175.052 176.117 -0.087 0.000 1.001 208 I CA -1.109 60.119 61.300 -0.121 0.000 1.193 208 I CB 1.224 39.163 38.000 -0.102 0.000 1.345 208 I HN -0.075 nan 8.210 nan 0.000 0.461 209 L N 7.645 128.815 121.223 -0.088 0.000 2.313 209 L HA 0.546 4.885 4.340 -0.002 0.000 0.283 209 L C 0.121 176.961 176.870 -0.049 0.000 1.013 209 L CA 0.092 54.892 54.840 -0.066 0.000 0.816 209 L CB 1.635 43.650 42.059 -0.073 0.000 1.236 209 L HN 0.645 nan 8.230 nan 0.000 0.419 210 T N 1.038 115.569 114.554 -0.039 0.000 2.771 210 T HA 0.807 5.156 4.350 -0.002 0.000 0.281 210 T C 0.099 174.777 174.700 -0.037 0.000 0.982 210 T CA -0.122 61.958 62.100 -0.032 0.000 0.978 210 T CB 1.228 70.082 68.868 -0.023 0.000 0.930 210 T HN 0.778 nan 8.240 nan 0.000 0.447 211 T N 0.118 114.645 114.554 -0.044 0.000 2.742 211 T HA 0.605 4.954 4.350 -0.002 0.000 0.282 211 T C -0.023 174.627 174.700 -0.084 0.000 1.025 211 T CA -1.065 61.005 62.100 -0.050 0.000 1.020 211 T CB 0.745 69.589 68.868 -0.040 0.000 1.317 211 T HN 0.781 nan 8.240 nan 0.000 0.538 212 N N -0.317 118.323 118.700 -0.099 0.000 2.354 212 N HA 0.200 4.939 4.740 -0.002 0.000 0.246 212 N C 0.998 176.329 175.510 -0.297 0.000 1.285 212 N CA 0.034 52.965 53.050 -0.199 0.000 0.925 212 N CB -0.310 38.075 38.487 -0.170 0.000 1.174 212 N HN 0.592 nan 8.380 nan 0.000 0.478 213 T N -0.561 113.636 114.554 -0.595 0.000 2.746 213 T HA -0.103 4.246 4.350 -0.002 0.000 0.267 213 T C 1.127 175.584 174.700 -0.404 0.000 1.039 213 T CA 1.471 63.189 62.100 -0.637 0.000 1.142 213 T CB -0.468 67.758 68.868 -1.071 0.000 0.866 213 T HN 0.650 nan 8.240 nan 0.000 0.444 214 W N 1.536 122.839 121.300 0.004 0.000 2.379 214 W HA -0.010 4.649 4.660 -0.002 0.000 0.307 214 W C 2.885 179.405 176.519 0.002 0.000 1.200 214 W CA 0.195 57.541 57.345 0.001 0.000 1.297 214 W CB -0.805 28.655 29.460 -0.000 0.000 1.140 214 W HN 0.060 nan 8.180 nan 0.000 0.507 215 S N 0.542 116.331 115.700 0.148 0.000 2.365 215 S HA -0.301 4.168 4.470 -0.002 0.000 0.225 215 S C 1.946 176.575 174.600 0.050 0.000 1.039 215 S CA 1.854 60.101 58.200 0.078 0.000 1.033 215 S CB -0.904 62.315 63.200 0.031 0.000 0.887 215 S HN 0.307 nan 8.310 nan 0.000 0.447 216 S N 0.993 116.702 115.700 0.016 0.000 2.348 216 S HA -0.155 4.314 4.470 -0.002 0.000 0.221 216 S C 1.834 176.461 174.600 0.044 0.000 1.033 216 S CA 1.400 59.612 58.200 0.020 0.000 1.010 216 S CB -0.376 62.814 63.200 -0.017 0.000 0.891 216 S HN 0.567 nan 8.310 nan 0.000 0.442 217 E N 0.195 120.432 120.200 0.062 0.000 2.085 217 E HA -0.157 4.192 4.350 -0.002 0.000 0.194 217 E C 2.036 178.675 176.600 0.065 0.000 0.994 217 E CA 1.353 57.798 56.400 0.075 0.000 0.801 217 E CB -0.252 29.532 29.700 0.139 0.000 0.743 217 E HN 0.395 nan 8.360 nan 0.000 0.453 218 L N 0.531 121.803 121.223 0.082 0.000 2.156 218 L HA -0.047 4.292 4.340 -0.002 0.000 0.208 218 L C 2.069 178.957 176.870 0.031 0.000 1.095 218 L CA 1.447 56.319 54.840 0.053 0.000 0.770 218 L CB -0.185 41.915 42.059 0.068 0.000 0.914 218 L HN -0.098 nan 8.230 nan 0.000 0.439 219 S N -0.306 115.421 115.700 0.045 0.000 2.382 219 S HA -0.209 4.260 4.470 -0.002 0.000 0.228 219 S C 1.926 176.586 174.600 0.100 0.000 1.027 219 S CA 1.461 59.689 58.200 0.047 0.000 0.991 219 S CB -0.264 62.975 63.200 0.066 0.000 0.823 219 S HN 0.384 nan 8.310 nan 0.000 0.469 220 K N 1.879 122.342 120.400 0.105 0.000 2.026 220 K HA 0.053 4.372 4.320 -0.002 0.000 0.208 220 K C 1.773 178.403 176.600 0.051 0.000 1.048 220 K CA 1.345 57.687 56.287 0.091 0.000 0.929 220 K CB -0.658 31.789 32.500 -0.088 0.000 0.713 220 K HN 0.336 nan 8.250 nan 0.000 0.439 221 L N -0.137 121.085 121.223 -0.001 0.000 2.056 221 L HA -0.044 4.295 4.340 -0.002 0.000 0.207 221 L C 2.507 179.315 176.870 -0.104 0.000 1.078 221 L CA 1.193 56.004 54.840 -0.049 0.000 0.749 221 L CB -0.722 41.298 42.059 -0.066 0.000 0.901 221 L HN 0.250 nan 8.230 nan 0.000 0.433 222 A N 0.261 123.031 122.820 -0.083 0.000 1.933 222 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 222 A C 2.566 180.169 177.584 0.032 0.000 1.175 222 A CA 1.653 53.648 52.037 -0.071 0.000 0.628 222 A CB -0.639 18.359 19.000 -0.004 0.000 0.814 222 A HN 0.388 nan 8.150 nan 0.000 0.444 223 A N 0.404 123.220 122.820 -0.008 0.000 1.865 223 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 223 A C 1.956 179.533 177.584 -0.011 0.000 1.191 223 A CA 2.035 54.065 52.037 -0.013 0.000 0.623 223 A CB -0.703 18.333 19.000 0.061 0.000 0.826 223 A HN 0.523 nan 8.150 nan 0.000 0.444 224 N N 0.206 118.895 118.700 -0.018 0.000 2.166 224 N HA -0.071 4.668 4.740 -0.002 0.000 0.186 224 N C 1.841 177.109 175.510 -0.404 0.000 1.019 224 N CA 1.548 54.508 53.050 -0.150 0.000 0.856 224 N CB -0.581 37.924 38.487 0.031 0.000 0.993 224 N HN 0.469 nan 8.380 nan 0.000 0.426 225 A N 0.078 122.734 122.820 -0.275 0.000 1.902 225 A HA -0.096 4.223 4.320 -0.002 0.000 0.217 225 A C 1.996 179.526 177.584 -0.089 0.000 1.181 225 A CA 1.025 52.864 52.037 -0.329 0.000 0.623 225 A CB -0.904 17.622 19.000 -0.790 0.000 0.818 225 A HN 0.197 nan 8.150 nan 0.000 0.443 226 F N -0.062 119.811 119.950 -0.130 0.000 2.134 226 F HA -0.105 4.421 4.527 -0.002 0.000 0.299 226 F C 2.133 177.888 175.800 -0.075 0.000 1.097 226 F CA 1.341 59.364 58.000 0.038 0.000 1.264 226 F CB -0.477 38.540 39.000 0.027 0.000 1.001 226 F HN 0.099 nan 8.300 nan 0.000 0.479 227 L N -0.698 120.481 121.223 -0.072 0.000 1.994 227 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 227 L C 2.698 179.439 176.870 -0.214 0.000 1.071 227 L CA 1.332 56.054 54.840 -0.197 0.000 0.745 227 L CB -1.049 40.804 42.059 -0.344 0.000 0.892 227 L HN 0.112 nan 8.230 nan 0.000 0.431 228 A N -0.805 121.572 122.820 -0.739 0.000 1.972 228 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 228 A C 2.246 179.724 177.584 -0.176 0.000 1.169 228 A CA 1.710 53.251 52.037 -0.826 0.000 0.635 228 A CB -0.530 17.711 19.000 -1.264 0.000 0.810 228 A HN 0.523 nan 8.150 nan 0.000 0.446 229 Q N -0.416 119.354 119.800 -0.050 0.000 2.167 229 Q HA -0.152 4.187 4.340 -0.002 0.000 0.202 229 Q C 2.192 178.230 176.000 0.062 0.000 0.970 229 Q CA 1.264 57.095 55.803 0.046 0.000 0.855 229 Q CB -0.073 28.698 28.738 0.054 0.000 0.911 229 Q HN 0.688 nan 8.270 nan 0.000 0.438 230 R N -0.061 120.498 120.500 0.099 0.000 2.081 230 R HA -0.108 4.231 4.340 -0.002 0.000 0.235 230 R C 2.295 178.684 176.300 0.149 0.000 1.131 230 R CA 1.591 57.774 56.100 0.139 0.000 0.960 230 R CB -0.304 30.123 30.300 0.212 0.000 0.856 230 R HN 0.333 nan 8.270 nan 0.000 0.436 231 I N 0.194 120.875 120.570 0.185 0.000 2.179 231 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 231 I C 2.238 178.473 176.117 0.195 0.000 1.088 231 I CA 1.261 62.677 61.300 0.193 0.000 1.357 231 I CB -0.264 37.913 38.000 0.294 0.000 1.051 231 I HN 0.052 nan 8.210 nan 0.000 0.409 232 S N 0.148 115.989 115.700 0.235 0.000 2.399 232 S HA -0.147 4.322 4.470 -0.002 0.000 0.231 232 S C 2.220 176.872 174.600 0.087 0.000 1.022 232 S CA 1.514 59.817 58.200 0.171 0.000 0.983 232 S CB -0.152 63.162 63.200 0.189 0.000 0.803 232 S HN 0.375 nan 8.310 nan 0.000 0.480 233 S N 1.202 116.940 115.700 0.065 0.000 2.368 233 S HA 0.011 4.480 4.470 -0.002 0.000 0.224 233 S C 1.786 176.413 174.600 0.045 0.000 1.029 233 S CA 0.753 58.972 58.200 0.032 0.000 0.988 233 S CB -0.273 62.937 63.200 0.016 0.000 0.838 233 S HN 0.372 nan 8.310 nan 0.000 0.462 234 I N 2.714 123.320 120.570 0.060 0.000 2.439 234 I HA -0.071 4.098 4.170 -0.002 0.000 0.251 234 I C 1.594 177.741 176.117 0.050 0.000 1.139 234 I CA 0.982 62.313 61.300 0.053 0.000 1.438 234 I CB -0.464 37.569 38.000 0.055 0.000 1.085 234 I HN 0.098 nan 8.210 nan 0.000 0.427 235 N N 0.241 118.976 118.700 0.057 0.000 2.120 235 N HA -0.176 4.563 4.740 -0.002 0.000 0.188 235 N C 2.152 177.706 175.510 0.073 0.000 1.024 235 N CA 1.678 54.759 53.050 0.051 0.000 0.852 235 N CB -0.620 37.895 38.487 0.046 0.000 1.003 235 N HN 0.536 nan 8.380 nan 0.000 0.424 236 S N 0.767 116.515 115.700 0.080 0.000 2.370 236 S HA -0.078 4.391 4.470 -0.002 0.000 0.226 236 S C 1.924 176.567 174.600 0.071 0.000 1.033 236 S CA 0.703 58.957 58.200 0.089 0.000 1.011 236 S CB -0.360 62.865 63.200 0.041 0.000 0.852 236 S HN 0.096 nan 8.310 nan 0.000 0.457 237 I N 3.350 123.950 120.570 0.051 0.000 2.315 237 I HA -0.108 4.061 4.170 -0.002 0.000 0.248 237 I C 3.019 179.165 176.117 0.049 0.000 1.117 237 I CA 1.511 62.836 61.300 0.043 0.000 1.404 237 I CB -1.962 36.058 38.000 0.034 0.000 1.071 237 I HN 0.639 nan 8.210 nan 0.000 0.419 238 S N 1.628 117.359 115.700 0.052 0.000 2.383 238 S HA -0.178 4.291 4.470 -0.002 0.000 0.229 238 S C 2.246 176.883 174.600 0.063 0.000 1.030 238 S CA 1.268 59.499 58.200 0.051 0.000 1.002 238 S CB -0.576 62.648 63.200 0.040 0.000 0.829 238 S HN 0.398 nan 8.310 nan 0.000 0.467 239 A N 1.515 124.385 122.820 0.083 0.000 1.898 239 A HA 0.160 4.479 4.320 -0.002 0.000 0.216 239 A C 2.234 179.869 177.584 0.085 0.000 1.181 239 A CA 1.421 53.521 52.037 0.104 0.000 0.620 239 A CB -0.859 18.257 19.000 0.193 0.000 0.819 239 A HN 0.532 nan 8.150 nan 0.000 0.442 240 L N -0.234 121.031 121.223 0.070 0.000 2.093 240 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 240 L C 2.451 179.347 176.870 0.044 0.000 1.085 240 L CA 1.773 56.643 54.840 0.050 0.000 0.755 240 L CB -0.872 41.209 42.059 0.037 0.000 0.904 240 L HN 0.480 nan 8.230 nan 0.000 0.435 241 C N -0.164 119.163 119.300 0.045 0.000 2.413 241 C HA -0.180 4.279 4.460 -0.002 0.000 0.276 241 C C 2.557 177.574 174.990 0.045 0.000 1.236 241 C CA 1.119 60.162 59.018 0.042 0.000 1.735 241 C CB -0.954 26.811 27.740 0.043 0.000 2.031 241 C HN 0.581 nan 8.230 nan 0.000 0.474 242 E N 0.764 120.996 120.200 0.053 0.000 2.160 242 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 242 E C 2.151 178.780 176.600 0.047 0.000 0.991 242 E CA 1.348 57.780 56.400 0.053 0.000 0.810 242 E CB -0.206 29.532 29.700 0.063 0.000 0.742 242 E HN 0.703 nan 8.360 nan 0.000 0.466 243 A N 0.640 123.488 122.820 0.046 0.000 2.169 243 A HA -0.048 4.271 4.320 -0.002 0.000 0.212 243 A C 2.071 179.674 177.584 0.032 0.000 1.153 243 A CA 1.387 53.447 52.037 0.040 0.000 0.756 243 A CB -0.149 18.875 19.000 0.041 0.000 0.813 243 A HN 0.322 nan 8.150 nan 0.000 0.471 244 T N -6.472 108.101 114.554 0.031 0.000 3.004 244 T HA 0.435 4.784 4.350 -0.002 0.000 0.266 244 T C 1.251 175.966 174.700 0.025 0.000 0.986 244 T CA 1.035 63.150 62.100 0.026 0.000 0.902 244 T CB 0.371 69.254 68.868 0.024 0.000 1.118 244 T HN 1.583 nan 8.240 nan 0.000 0.522 245 G N 1.403 110.220 108.800 0.028 0.000 2.143 245 G HA2 0.025 3.984 3.960 -0.002 0.000 0.249 245 G HA3 0.025 3.984 3.960 -0.002 0.000 0.249 245 G C 0.283 175.199 174.900 0.028 0.000 0.981 245 G CA -0.070 45.046 45.100 0.028 0.000 0.665 245 G HN 1.196 nan 8.290 nan 0.000 0.528 246 A N -0.505 122.333 122.820 0.029 0.000 2.279 246 A HA 0.666 4.985 4.320 -0.002 0.000 0.303 246 A C -0.102 177.502 177.584 0.033 0.000 1.108 246 A CA 0.255 52.309 52.037 0.028 0.000 0.830 246 A CB 0.946 19.962 19.000 0.026 0.000 1.106 246 A HN 0.409 nan 8.150 nan 0.000 0.493 247 D N 0.941 121.359 120.400 0.030 0.000 2.408 247 D HA 0.272 4.911 4.640 -0.002 0.000 0.243 247 D C 0.618 176.935 176.300 0.029 0.000 1.075 247 D CA -0.330 53.689 54.000 0.032 0.000 0.832 247 D CB 1.724 42.540 40.800 0.027 0.000 1.162 247 D HN 0.110 nan 8.370 nan 0.000 0.515 248 V N 4.413 124.346 119.914 0.032 0.000 2.594 248 V HA -0.135 3.984 4.120 -0.002 0.000 0.253 248 V C 1.727 177.835 176.094 0.023 0.000 1.069 248 V CA 1.651 63.969 62.300 0.030 0.000 1.082 248 V CB -0.141 31.702 31.823 0.033 0.000 0.680 248 V HN 0.520 nan 8.190 nan 0.000 0.469 249 E N -0.185 120.026 120.200 0.019 0.000 2.106 249 E HA -0.192 4.157 4.350 -0.002 0.000 0.192 249 E C 2.144 178.751 176.600 0.012 0.000 0.984 249 E CA 1.243 57.650 56.400 0.011 0.000 0.806 249 E CB -0.130 29.570 29.700 0.001 0.000 0.750 249 E HN 0.727 nan 8.360 nan 0.000 0.458 250 E N 0.419 120.627 120.200 0.013 0.000 2.072 250 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 250 E C 2.242 178.852 176.600 0.017 0.000 0.985 250 E CA 0.936 57.344 56.400 0.013 0.000 0.801 250 E CB 0.092 29.800 29.700 0.014 0.000 0.750 250 E HN 0.022 nan 8.360 nan 0.000 0.452 251 V N 1.494 121.420 119.914 0.020 0.000 2.295 251 V HA -0.272 3.848 4.120 -0.002 0.000 0.246 251 V C 2.377 178.486 176.094 0.025 0.000 1.049 251 V CA 1.825 64.138 62.300 0.022 0.000 1.024 251 V CB -0.754 31.084 31.823 0.024 0.000 0.648 251 V HN 0.301 nan 8.190 nan 0.000 0.447 252 A N -0.087 122.748 122.820 0.026 0.000 1.908 252 A HA -0.264 4.056 4.320 -0.002 0.000 0.218 252 A C 2.405 180.006 177.584 0.029 0.000 1.181 252 A CA 2.704 54.759 52.037 0.030 0.000 0.627 252 A CB -1.085 17.933 19.000 0.029 0.000 0.818 252 A HN 0.516 nan 8.150 nan 0.000 0.445 253 T N 0.316 114.884 114.554 0.023 0.000 2.708 253 T HA -0.047 4.302 4.350 -0.002 0.000 0.266 253 T C 2.244 176.957 174.700 0.022 0.000 1.037 253 T CA 1.774 63.887 62.100 0.021 0.000 1.146 253 T CB -0.543 68.335 68.868 0.016 0.000 0.865 253 T HN 0.628 nan 8.240 nan 0.000 0.435 254 A N 1.895 124.727 122.820 0.020 0.000 1.877 254 A HA -0.056 4.263 4.320 -0.002 0.000 0.216 254 A C 2.376 179.973 177.584 0.022 0.000 1.186 254 A CA 1.758 53.807 52.037 0.019 0.000 0.620 254 A CB -0.826 18.184 19.000 0.018 0.000 0.822 254 A HN 0.724 nan 8.150 nan 0.000 0.443 255 I N -2.695 117.891 120.570 0.025 0.000 2.353 255 I HA 0.053 4.222 4.170 -0.002 0.000 0.248 255 I C 2.092 178.228 176.117 0.032 0.000 1.119 255 I CA 1.534 62.851 61.300 0.028 0.000 1.417 255 I CB -0.804 37.215 38.000 0.031 0.000 1.078 255 I HN 0.153 nan 8.210 nan 0.000 0.421 256 G N 1.177 109.997 108.800 0.035 0.000 2.509 256 G HA2 -0.078 3.881 3.960 -0.002 0.000 0.218 256 G HA3 -0.078 3.881 3.960 -0.002 0.000 0.218 256 G C 1.582 176.501 174.900 0.032 0.000 1.124 256 G CA 0.375 45.498 45.100 0.039 0.000 0.776 256 G HN 0.388 nan 8.290 nan 0.000 0.547 257 M N 0.494 120.109 119.600 0.026 0.000 2.562 257 M HA 0.066 4.545 4.480 -0.002 0.000 0.257 257 M C 0.458 176.770 176.300 0.020 0.000 1.099 257 M CA 0.196 55.509 55.300 0.021 0.000 1.099 257 M CB 0.204 32.815 32.600 0.018 0.000 1.427 257 M HN -0.001 nan 8.290 nan 0.000 0.489 258 D N 1.276 121.689 120.400 0.022 0.000 2.338 258 D HA 0.011 4.650 4.640 -0.002 0.000 0.255 258 D C 0.600 176.913 176.300 0.022 0.000 1.237 258 D CA 0.390 54.402 54.000 0.021 0.000 0.883 258 D CB 0.904 41.717 40.800 0.023 0.000 1.087 258 D HN 0.284 nan 8.370 nan 0.000 0.485 259 Q N 2.633 122.444 119.800 0.017 0.000 2.437 259 Q HA -0.086 4.253 4.340 -0.002 0.000 0.210 259 Q C 1.545 177.555 176.000 0.016 0.000 0.972 259 Q CA 0.793 56.605 55.803 0.015 0.000 0.903 259 Q CB 0.350 29.094 28.738 0.010 0.000 0.967 259 Q HN 0.437 nan 8.270 nan 0.000 0.486 260 R N -0.253 120.259 120.500 0.019 0.000 2.153 260 R HA 0.020 4.359 4.340 -0.002 0.000 0.218 260 R C 1.812 178.131 176.300 0.033 0.000 1.072 260 R CA 0.842 56.955 56.100 0.022 0.000 0.990 260 R CB 0.100 30.414 30.300 0.022 0.000 0.889 260 R HN 0.265 nan 8.270 nan 0.000 0.452 261 I N -0.324 120.268 120.570 0.036 0.000 2.512 261 I HA 0.130 4.299 4.170 -0.002 0.000 0.247 261 I C 1.053 177.199 176.117 0.048 0.000 1.094 261 I CA 0.576 61.904 61.300 0.047 0.000 1.427 261 I CB -0.368 37.659 38.000 0.046 0.000 1.149 261 I HN 0.271 nan 8.210 nan 0.000 0.438 262 G N 2.419 111.243 108.800 0.040 0.000 2.781 262 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.683 262 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.683 262 G C -0.070 174.863 174.900 0.054 0.000 1.390 262 G CA 0.067 45.191 45.100 0.040 0.000 0.850 262 G HN 0.507 nan 8.290 nan 0.000 0.557 263 N N -0.948 117.785 118.700 0.055 0.000 2.187 263 N HA 0.139 4.879 4.740 -0.002 0.000 0.212 263 N C 0.297 175.861 175.510 0.089 0.000 1.152 263 N CA 0.127 53.215 53.050 0.063 0.000 0.872 263 N CB 0.505 39.020 38.487 0.047 0.000 1.025 263 N HN 0.533 nan 8.380 nan 0.000 0.514 264 K N 0.391 120.861 120.400 0.116 0.000 2.098 264 K HA 0.267 4.586 4.320 -0.002 0.000 0.261 264 K C -0.064 176.722 176.600 0.310 0.000 0.987 264 K CA -0.808 55.595 56.287 0.194 0.000 0.916 264 K CB 0.486 33.087 32.500 0.168 0.000 1.039 264 K HN 0.169 nan 8.250 nan 0.000 0.455 265 F N 0.520 120.503 119.950 0.055 0.000 3.091 265 F HA -0.250 4.276 4.527 -0.002 0.000 0.288 265 F C 0.257 176.097 175.800 0.066 0.000 0.907 265 F CA 0.030 58.073 58.000 0.072 0.000 1.028 265 F CB -1.011 38.039 39.000 0.083 0.000 1.022 265 F HN 0.377 nan 8.300 nan 0.000 0.665 266 L N -0.586 120.710 121.223 0.122 0.000 3.202 266 L HA 0.119 4.458 4.340 -0.002 0.000 0.278 266 L C 0.316 177.203 176.870 0.029 0.000 1.268 266 L CA -0.065 54.821 54.840 0.076 0.000 1.034 266 L CB 0.583 42.688 42.059 0.077 0.000 1.407 266 L HN -0.176 nan 8.230 nan 0.000 0.581 267 K N 1.377 121.769 120.400 -0.013 0.000 2.263 267 K HA 0.611 4.930 4.320 -0.002 0.000 0.282 267 K C 0.516 177.097 176.600 -0.030 0.000 1.089 267 K CA -0.332 55.937 56.287 -0.031 0.000 0.907 267 K CB 1.161 33.622 32.500 -0.064 0.000 1.148 267 K HN 0.313 nan 8.250 nan 0.000 0.470 268 A N 2.453 125.267 122.820 -0.011 0.000 2.520 268 A HA 0.449 4.768 4.320 -0.002 0.000 0.235 268 A C 0.565 178.125 177.584 -0.040 0.000 1.065 268 A CA 0.265 52.295 52.037 -0.011 0.000 0.764 268 A CB 0.038 19.038 19.000 0.000 0.000 1.002 268 A HN 0.956 nan 8.150 nan 0.000 0.502 269 S N 0.265 115.930 115.700 -0.058 0.000 2.638 269 S HA 0.398 4.867 4.470 -0.002 0.000 0.274 269 S C 0.434 174.926 174.600 -0.180 0.000 1.157 269 S CA 0.062 58.197 58.200 -0.108 0.000 0.826 269 S CB 1.021 64.177 63.200 -0.073 0.000 1.139 269 S HN 1.583 nan 8.310 nan 0.000 0.474 270 V N 0.720 120.456 119.914 -0.297 0.000 2.688 270 V HA 0.334 4.453 4.120 -0.002 0.000 0.256 270 V C 0.966 176.922 176.094 -0.229 0.000 1.084 270 V CA 2.302 64.357 62.300 -0.409 0.000 1.103 270 V CB -0.472 30.992 31.823 -0.598 0.000 0.688 270 V HN 1.709 nan 8.190 nan 0.000 0.480 271 G N -0.924 107.778 108.800 -0.164 0.000 2.318 271 G HA2 0.225 4.184 3.960 -0.002 0.000 0.302 271 G HA3 0.225 4.184 3.960 -0.002 0.000 0.302 271 G C -0.788 174.056 174.900 -0.095 0.000 1.633 271 G CA -0.450 44.538 45.100 -0.187 0.000 0.965 271 G HN 0.680 nan 8.290 nan 0.000 0.698 272 F N 0.893 120.862 119.950 0.031 0.000 2.471 272 F HA 0.789 5.315 4.527 -0.002 0.000 0.353 272 F C 0.727 176.571 175.800 0.074 0.000 1.113 272 F CA -0.312 57.742 58.000 0.090 0.000 1.262 272 F CB 0.945 40.083 39.000 0.231 0.000 1.146 272 F HN 0.762 nan 8.300 nan 0.000 0.578 273 G N -0.013 108.994 108.800 0.346 0.000 3.262 273 G HA2 0.713 4.672 3.960 -0.002 0.000 0.229 273 G HA3 0.713 4.672 3.960 -0.002 0.000 0.229 273 G C -0.407 174.425 174.900 -0.113 0.000 1.280 273 G CA -0.748 44.454 45.100 0.170 0.000 0.951 273 G HN 1.685 nan 8.290 nan 0.000 0.589 274 G N -1.808 106.575 108.800 -0.695 0.000 2.629 274 G HA2 0.292 4.251 3.960 -0.002 0.000 0.686 274 G HA3 0.292 4.251 3.960 -0.002 0.000 0.686 274 G C 0.702 175.253 174.900 -0.583 0.000 1.232 274 G CA 0.638 44.919 45.100 -1.365 0.000 0.803 274 G HN 1.864 nan 8.290 nan 0.000 0.638 275 S N -1.525 113.859 115.700 -0.526 0.000 2.607 275 S HA 0.133 4.602 4.470 -0.002 0.000 0.224 275 S C 1.734 176.240 174.600 -0.158 0.000 0.969 275 S CA 1.636 59.680 58.200 -0.259 0.000 0.927 275 S CB -0.186 62.877 63.200 -0.227 0.000 0.772 275 S HN 1.070 nan 8.310 nan 0.000 0.533 276 C N -0.305 118.895 119.300 -0.166 0.000 2.393 276 C HA 0.434 4.893 4.460 -0.002 0.000 0.332 276 C C 2.113 177.192 174.990 0.149 0.000 1.423 276 C CA -0.326 58.674 59.018 -0.030 0.000 2.097 276 C CB -1.270 26.437 27.740 -0.055 0.000 2.274 276 C HN 0.482 nan 8.230 nan 0.000 0.570 277 F N 1.992 121.912 119.950 -0.051 0.000 2.075 277 F HA -0.136 4.390 4.527 -0.001 0.000 0.297 277 F C 2.688 178.511 175.800 0.038 0.000 1.113 277 F CA 1.748 59.702 58.000 -0.077 0.000 1.218 277 F CB -1.367 37.464 39.000 -0.281 0.000 0.984 277 F HN 0.353 nan 8.300 nan 0.000 0.472 278 Q N 0.439 120.460 119.800 0.368 0.000 2.079 278 Q HA -0.212 4.127 4.340 -0.002 0.000 0.200 278 Q C 2.372 178.460 176.000 0.147 0.000 0.974 278 Q CA 1.675 57.647 55.803 0.281 0.000 0.840 278 Q CB -0.134 28.735 28.738 0.217 0.000 0.898 278 Q HN 0.330 nan 8.270 nan 0.000 0.430 279 K N -0.056 120.408 120.400 0.106 0.000 2.026 279 K HA -0.194 4.125 4.320 -0.002 0.000 0.208 279 K C 1.235 177.864 176.600 0.050 0.000 1.048 279 K CA 1.846 58.167 56.287 0.057 0.000 0.929 279 K CB 0.006 32.524 32.500 0.029 0.000 0.713 279 K HN 0.236 nan 8.250 nan 0.000 0.439 280 D N 0.203 120.638 120.400 0.059 0.000 2.183 280 D HA -0.093 4.546 4.640 -0.002 0.000 0.203 280 D C 1.948 178.247 176.300 -0.002 0.000 0.969 280 D CA 0.681 54.698 54.000 0.027 0.000 0.842 280 D CB 0.031 40.852 40.800 0.035 0.000 0.957 280 D HN 0.038 nan 8.370 nan 0.000 0.484 281 V N 0.903 120.826 119.914 0.015 0.000 2.379 281 V HA -0.149 3.970 4.120 -0.002 0.000 0.245 281 V C 2.580 178.706 176.094 0.054 0.000 1.044 281 V CA 0.904 63.206 62.300 0.003 0.000 1.036 281 V CB -0.333 31.524 31.823 0.056 0.000 0.664 281 V HN 0.189 nan 8.190 nan 0.000 0.453 282 L N 0.320 121.589 121.223 0.077 0.000 2.042 282 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 282 L C 2.484 179.408 176.870 0.090 0.000 1.076 282 L CA 2.032 56.923 54.840 0.084 0.000 0.749 282 L CB -0.793 41.306 42.059 0.066 0.000 0.893 282 L HN 0.498 nan 8.230 nan 0.000 0.432 283 N N 0.556 119.292 118.700 0.061 0.000 2.084 283 N HA -0.231 4.508 4.740 -0.002 0.000 0.190 283 N C 2.043 177.612 175.510 0.098 0.000 1.030 283 N CA 1.231 54.327 53.050 0.077 0.000 0.849 283 N CB 0.042 38.551 38.487 0.036 0.000 1.012 283 N HN 0.147 nan 8.380 nan 0.000 0.423 284 L N 1.532 122.771 121.223 0.027 0.000 2.043 284 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 284 L C 2.249 179.142 176.870 0.040 0.000 1.075 284 L CA 1.382 56.209 54.840 -0.021 0.000 0.752 284 L CB -0.705 41.252 42.059 -0.171 0.000 0.891 284 L HN 0.006 nan 8.230 nan 0.000 0.432 285 V N -1.095 118.874 119.914 0.093 0.000 2.343 285 V HA -0.328 3.791 4.120 -0.002 0.000 0.247 285 V C 2.286 178.448 176.094 0.113 0.000 1.051 285 V CA 2.055 64.435 62.300 0.134 0.000 1.036 285 V CB -1.011 30.904 31.823 0.152 0.000 0.654 285 V HN 0.650 nan 8.190 nan 0.000 0.451 286 Y N 0.677 120.993 120.300 0.025 0.000 2.181 286 Y HA -0.239 4.310 4.550 -0.001 0.000 0.288 286 Y C 2.223 178.127 175.900 0.006 0.000 1.146 286 Y CA 1.881 59.987 58.100 0.011 0.000 1.164 286 Y CB -0.241 38.217 38.460 -0.004 0.000 0.982 286 Y HN 0.234 nan 8.280 nan 0.000 0.515 287 L N -0.183 121.033 121.223 -0.011 0.000 2.079 287 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 287 L C 2.235 179.035 176.870 -0.118 0.000 1.081 287 L CA 1.963 56.755 54.840 -0.079 0.000 0.752 287 L CB -1.189 40.879 42.059 0.016 0.000 0.896 287 L HN 0.432 nan 8.230 nan 0.000 0.433 288 C N -0.158 119.109 119.300 -0.055 0.000 2.446 288 C HA -0.104 4.355 4.460 -0.002 0.000 0.277 288 C C 2.554 177.502 174.990 -0.071 0.000 1.275 288 C CA 0.902 59.907 59.018 -0.023 0.000 1.727 288 C CB -0.918 26.860 27.740 0.063 0.000 2.010 288 C HN 0.602 nan 8.230 nan 0.000 0.486 289 E N 1.114 121.244 120.200 -0.117 0.000 2.077 289 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 289 E C 2.361 178.837 176.600 -0.207 0.000 0.989 289 E CA 1.351 57.666 56.400 -0.142 0.000 0.800 289 E CB -0.275 29.342 29.700 -0.138 0.000 0.746 289 E HN 0.661 nan 8.360 nan 0.000 0.452 290 A N 1.080 123.688 122.820 -0.353 0.000 1.933 290 A HA -0.123 4.196 4.320 -0.002 0.000 0.218 290 A C 2.014 179.496 177.584 -0.170 0.000 1.175 290 A CA 1.002 52.850 52.037 -0.315 0.000 0.628 290 A CB -0.434 18.305 19.000 -0.435 0.000 0.814 290 A HN 0.147 nan 8.150 nan 0.000 0.444 291 L N -0.250 120.891 121.223 -0.137 0.000 2.627 291 L HA 0.053 4.392 4.340 -0.002 0.000 0.232 291 L C -0.092 176.738 176.870 -0.066 0.000 1.150 291 L CA -0.184 54.603 54.840 -0.088 0.000 0.917 291 L CB -0.518 41.498 42.059 -0.070 0.000 1.104 291 L HN 0.399 nan 8.230 nan 0.000 0.445 292 N N 0.944 119.602 118.700 -0.070 0.000 2.738 292 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 292 N C -0.346 175.146 175.510 -0.030 0.000 1.047 292 N CA 0.736 53.757 53.050 -0.047 0.000 0.707 292 N CB -1.272 37.190 38.487 -0.041 0.000 0.937 292 N HN 0.349 nan 8.380 nan 0.000 0.545 293 L N 0.664 121.872 121.223 -0.024 0.000 2.599 293 L HA 0.229 4.568 4.340 -0.002 0.000 0.241 293 L C -1.152 175.726 176.870 0.014 0.000 1.207 293 L CA -1.356 53.483 54.840 -0.001 0.000 0.987 293 L CB 1.062 43.127 42.059 0.011 0.000 1.318 293 L HN -0.093 nan 8.230 nan 0.000 0.458 294 P HA -0.122 nan 4.420 nan 0.000 0.217 294 P C 0.932 178.250 177.300 0.030 0.000 1.151 294 P CA 1.126 64.235 63.100 0.015 0.000 0.828 294 P CB 0.622 32.325 31.700 0.004 0.000 0.788 295 E N 0.114 120.326 120.200 0.021 0.000 2.058 295 E HA -0.119 4.230 4.350 -0.002 0.000 0.194 295 E C 2.138 178.768 176.600 0.049 0.000 0.997 295 E CA 1.179 57.593 56.400 0.022 0.000 0.801 295 E CB -1.274 28.424 29.700 -0.003 0.000 0.746 295 E HN 0.043 nan 8.360 nan 0.000 0.450 296 V N 0.979 120.928 119.914 0.060 0.000 2.427 296 V HA -0.247 3.872 4.120 -0.002 0.000 0.248 296 V C 2.214 178.457 176.094 0.248 0.000 1.051 296 V CA 1.662 64.042 62.300 0.134 0.000 1.048 296 V CB -0.953 30.958 31.823 0.147 0.000 0.666 296 V HN 0.338 nan 8.190 nan 0.000 0.456 297 A N 1.787 124.708 122.820 0.169 0.000 1.858 297 A HA -0.241 4.078 4.320 -0.002 0.000 0.216 297 A C 2.391 180.074 177.584 0.166 0.000 1.190 297 A CA 2.134 54.274 52.037 0.171 0.000 0.617 297 A CB -0.509 18.544 19.000 0.088 0.000 0.827 297 A HN 0.691 nan 8.150 nan 0.000 0.443 298 R N -2.261 118.303 120.500 0.107 0.000 2.236 298 R HA -0.034 4.305 4.340 -0.002 0.000 0.208 298 R C 1.986 178.305 176.300 0.031 0.000 1.036 298 R CA 1.213 57.351 56.100 0.063 0.000 1.001 298 R CB -0.668 29.651 30.300 0.032 0.000 0.896 298 R HN 0.537 nan 8.270 nan 0.000 0.464 299 Y N 0.985 121.224 120.300 -0.101 0.000 2.114 299 Y HA -0.207 4.342 4.550 -0.002 0.000 0.284 299 Y C 1.437 177.137 175.900 -0.334 0.000 1.143 299 Y CA 1.706 59.637 58.100 -0.281 0.000 1.135 299 Y CB -0.273 37.934 38.460 -0.421 0.000 0.980 299 Y HN 0.018 nan 8.280 nan 0.000 0.499 300 W N 0.085 121.437 121.300 0.086 0.000 2.467 300 W HA -0.094 4.566 4.660 -0.001 0.000 0.275 300 W C 2.521 179.019 176.519 -0.035 0.000 1.239 300 W CA 0.921 58.265 57.345 -0.001 0.000 1.266 300 W CB -0.455 29.050 29.460 0.075 0.000 1.112 300 W HN 0.120 nan 8.180 nan 0.000 0.576 301 Q N 0.613 120.517 119.800 0.172 0.000 2.181 301 Q HA -0.245 4.094 4.340 -0.002 0.000 0.205 301 Q C 2.087 178.109 176.000 0.036 0.000 0.980 301 Q CA 1.644 57.508 55.803 0.102 0.000 0.862 301 Q CB -0.498 28.284 28.738 0.072 0.000 0.905 301 Q HN 0.158 nan 8.270 nan 0.000 0.429 302 Q N -0.611 119.158 119.800 -0.052 0.000 2.197 302 Q HA -0.126 4.213 4.340 -0.002 0.000 0.207 302 Q C 2.104 178.077 176.000 -0.045 0.000 0.984 302 Q CA 1.492 57.236 55.803 -0.099 0.000 0.869 302 Q CB -0.408 28.192 28.738 -0.230 0.000 0.906 302 Q HN 0.372 nan 8.270 nan 0.000 0.426 303 V N 0.921 120.838 119.914 0.005 0.000 2.332 303 V HA -0.250 3.869 4.120 -0.002 0.000 0.248 303 V C 2.217 178.416 176.094 0.176 0.000 1.055 303 V CA 1.278 63.648 62.300 0.117 0.000 1.038 303 V CB -0.454 31.493 31.823 0.206 0.000 0.651 303 V HN 0.245 nan 8.190 nan 0.000 0.450 304 I N 0.175 120.831 120.570 0.142 0.000 2.277 304 I HA -0.110 4.059 4.170 -0.002 0.000 0.243 304 I C 2.233 178.355 176.117 0.009 0.000 1.094 304 I CA 1.329 62.683 61.300 0.090 0.000 1.393 304 I CB -1.391 36.664 38.000 0.092 0.000 1.078 304 I HN 0.311 nan 8.210 nan 0.000 0.417 305 D N 0.228 120.638 120.400 0.017 0.000 2.178 305 D HA -0.212 4.427 4.640 -0.002 0.000 0.201 305 D C 2.086 178.400 176.300 0.024 0.000 0.980 305 D CA 1.040 55.044 54.000 0.007 0.000 0.842 305 D CB -0.228 40.566 40.800 -0.009 0.000 0.948 305 D HN 0.181 nan 8.370 nan 0.000 0.472 306 M N 0.727 120.340 119.600 0.022 0.000 2.156 306 M HA -0.067 4.412 4.480 -0.002 0.000 0.264 306 M C 1.531 177.863 176.300 0.053 0.000 1.067 306 M CA 1.302 56.643 55.300 0.068 0.000 1.131 306 M CB -0.572 32.055 32.600 0.045 0.000 1.368 306 M HN -0.176 nan 8.290 nan 0.000 0.416 307 N N 0.542 119.205 118.700 -0.063 0.000 2.104 307 N HA -0.181 4.558 4.740 -0.002 0.000 0.190 307 N C 1.160 176.547 175.510 -0.206 0.000 1.024 307 N CA 1.926 54.820 53.050 -0.260 0.000 0.853 307 N CB -0.267 37.822 38.487 -0.663 0.000 1.008 307 N HN 0.404 nan 8.380 nan 0.000 0.424 308 D N -1.228 119.093 120.400 -0.131 0.000 2.144 308 D HA -0.150 4.489 4.640 -0.002 0.000 0.200 308 D C 1.596 177.907 176.300 0.018 0.000 0.978 308 D CA 0.648 54.596 54.000 -0.086 0.000 0.833 308 D CB -0.428 40.343 40.800 -0.048 0.000 0.961 308 D HN 0.431 nan 8.370 nan 0.000 0.470 309 Y N 1.553 121.816 120.300 -0.062 0.000 2.200 309 Y HA -0.220 4.330 4.550 -0.001 0.000 0.290 309 Y C 2.364 178.246 175.900 -0.030 0.000 1.137 309 Y CA 1.620 59.695 58.100 -0.042 0.000 1.163 309 Y CB -0.293 38.144 38.460 -0.039 0.000 0.988 309 Y HN -0.158 nan 8.280 nan 0.000 0.518 310 Q N 0.738 120.417 119.800 -0.201 0.000 2.096 310 Q HA -0.197 4.142 4.340 -0.002 0.000 0.204 310 Q C 2.238 178.128 176.000 -0.184 0.000 0.982 310 Q CA 2.215 57.861 55.803 -0.261 0.000 0.850 310 Q CB -0.165 28.492 28.738 -0.134 0.000 0.901 310 Q HN 0.516 nan 8.270 nan 0.000 0.422 311 R N -0.750 119.689 120.500 -0.103 0.000 2.062 311 R HA -0.011 4.328 4.340 -0.002 0.000 0.231 311 R C 2.439 178.782 176.300 0.072 0.000 1.136 311 R CA 1.098 57.221 56.100 0.038 0.000 0.948 311 R CB -0.303 30.046 30.300 0.081 0.000 0.845 311 R HN 0.067 nan 8.270 nan 0.000 0.430 312 R N 1.718 122.200 120.500 -0.030 0.000 2.083 312 R HA -0.163 4.176 4.340 -0.002 0.000 0.237 312 R C 2.229 178.352 176.300 -0.295 0.000 1.137 312 R CA 2.086 58.016 56.100 -0.285 0.000 0.951 312 R CB -0.430 29.757 30.300 -0.188 0.000 0.851 312 R HN 0.345 nan 8.270 nan 0.000 0.434 313 R N -1.182 119.133 120.500 -0.308 0.000 2.115 313 R HA -0.117 4.222 4.340 -0.002 0.000 0.230 313 R C 2.247 178.460 176.300 -0.145 0.000 1.111 313 R CA 1.471 57.394 56.100 -0.294 0.000 0.976 313 R CB -0.937 29.029 30.300 -0.556 0.000 0.870 313 R HN 0.175 nan 8.270 nan 0.000 0.445 314 F N 2.052 121.862 119.950 -0.233 0.000 2.146 314 F HA 0.016 4.542 4.527 -0.002 0.000 0.298 314 F C 2.460 178.139 175.800 -0.201 0.000 1.096 314 F CA 1.378 59.285 58.000 -0.156 0.000 1.275 314 F CB -0.398 38.543 39.000 -0.098 0.000 1.008 314 F HN 0.156 nan 8.300 nan 0.000 0.480 315 A N -0.688 122.037 122.820 -0.159 0.000 1.898 315 A HA -0.146 4.173 4.320 -0.002 0.000 0.216 315 A C 2.341 179.714 177.584 -0.351 0.000 1.181 315 A CA 1.933 53.810 52.037 -0.265 0.000 0.620 315 A CB -1.210 17.722 19.000 -0.114 0.000 0.819 315 A HN 0.398 nan 8.150 nan 0.000 0.442 316 S N -0.390 115.123 115.700 -0.311 0.000 2.399 316 S HA -0.154 4.315 4.470 -0.002 0.000 0.231 316 S C 2.014 176.456 174.600 -0.263 0.000 1.022 316 S CA 1.334 59.377 58.200 -0.261 0.000 0.983 316 S CB -0.301 62.776 63.200 -0.207 0.000 0.803 316 S HN 0.591 nan 8.310 nan 0.000 0.480 317 R N 0.628 120.955 120.500 -0.289 0.000 2.081 317 R HA 0.013 4.352 4.340 -0.002 0.000 0.235 317 R C 2.196 178.250 176.300 -0.409 0.000 1.131 317 R CA 1.370 57.321 56.100 -0.247 0.000 0.960 317 R CB -0.515 29.689 30.300 -0.159 0.000 0.856 317 R HN 0.393 nan 8.270 nan 0.000 0.436 318 I N 0.513 120.590 120.570 -0.823 0.000 2.163 318 I HA -0.318 3.851 4.170 -0.002 0.000 0.243 318 I C 2.208 177.946 176.117 -0.632 0.000 1.085 318 I CA 1.504 62.094 61.300 -1.183 0.000 1.347 318 I CB -0.274 37.007 38.000 -1.198 0.000 1.044 318 I HN 0.122 nan 8.210 nan 0.000 0.408 319 I N 0.565 120.869 120.570 -0.443 0.000 2.179 319 I HA -0.291 3.878 4.170 -0.002 0.000 0.242 319 I C 2.038 177.996 176.117 -0.265 0.000 1.088 319 I CA 1.434 62.550 61.300 -0.306 0.000 1.357 319 I CB -0.511 37.355 38.000 -0.223 0.000 1.051 319 I HN 0.210 nan 8.210 nan 0.000 0.409 320 D N 0.398 120.662 120.400 -0.227 0.000 2.178 320 D HA -0.127 4.512 4.640 -0.002 0.000 0.201 320 D C 2.378 178.563 176.300 -0.193 0.000 0.980 320 D CA 1.151 55.058 54.000 -0.155 0.000 0.842 320 D CB -0.195 40.542 40.800 -0.103 0.000 0.948 320 D HN 0.179 nan 8.370 nan 0.000 0.472 321 S N 0.105 115.628 115.700 -0.295 0.000 2.383 321 S HA 0.011 4.480 4.470 -0.002 0.000 0.227 321 S C 1.494 175.610 174.600 -0.808 0.000 1.026 321 S CA 0.387 58.315 58.200 -0.453 0.000 0.981 321 S CB 0.009 62.925 63.200 -0.474 0.000 0.818 321 S HN 0.274 nan 8.310 nan 0.000 0.472 322 L N 2.121 122.902 121.223 -0.737 0.000 2.955 322 L HA 0.279 4.618 4.340 -0.002 0.000 0.238 322 L C -0.530 176.032 176.870 -0.513 0.000 1.359 322 L CA -0.082 54.297 54.840 -0.768 0.000 1.214 322 L CB -1.241 40.524 42.059 -0.490 0.000 1.600 322 L HN 0.290 nan 8.230 nan 0.000 0.442 323 F N -0.718 119.186 119.950 -0.076 0.000 3.090 323 F HA -0.347 4.179 4.527 -0.002 0.000 0.282 323 F C 0.947 176.708 175.800 -0.064 0.000 0.923 323 F CA 0.457 58.431 58.000 -0.043 0.000 0.977 323 F CB -2.490 36.503 39.000 -0.012 0.000 0.954 323 F HN 0.541 nan 8.300 nan 0.000 0.695 324 N N -0.996 117.702 118.700 -0.003 0.000 2.714 324 N HA -0.215 4.524 4.740 -0.002 0.000 0.250 324 N C -0.190 175.300 175.510 -0.033 0.000 1.117 324 N CA 1.352 54.383 53.050 -0.032 0.000 0.719 324 N CB -0.552 37.934 38.487 -0.002 0.000 1.081 324 N HN 0.639 nan 8.380 nan 0.000 0.557 325 T N -1.603 112.921 114.554 -0.049 0.000 3.237 325 T HA 0.495 4.844 4.350 -0.002 0.000 0.319 325 T C 0.058 174.686 174.700 -0.120 0.000 1.037 325 T CA -0.230 61.834 62.100 -0.061 0.000 1.048 325 T CB 1.174 70.030 68.868 -0.020 0.000 1.081 325 T HN 0.334 nan 8.240 nan 0.000 0.455 326 V N 1.649 121.484 119.914 -0.132 0.000 3.166 326 V HA 0.449 4.568 4.120 -0.002 0.000 0.332 326 V C 0.651 176.652 176.094 -0.154 0.000 1.434 326 V CA -0.332 61.866 62.300 -0.170 0.000 1.121 326 V CB -0.232 31.493 31.823 -0.163 0.000 1.062 326 V HN 0.806 nan 8.190 nan 0.000 0.489 327 T N 3.002 117.480 114.554 -0.126 0.000 2.831 327 T HA 0.120 4.469 4.350 -0.002 0.000 0.291 327 T C 0.594 175.174 174.700 -0.200 0.000 0.981 327 T CA 1.370 63.392 62.100 -0.130 0.000 1.174 327 T CB -0.131 68.689 68.868 -0.079 0.000 0.929 327 T HN 0.714 nan 8.240 nan 0.000 0.532 328 D N 1.155 121.339 120.400 -0.360 0.000 3.039 328 D HA -0.145 4.494 4.640 -0.002 0.000 0.222 328 D C 0.147 176.203 176.300 -0.407 0.000 1.179 328 D CA 1.134 54.739 54.000 -0.659 0.000 0.880 328 D CB -0.448 40.173 40.800 -0.297 0.000 1.115 328 D HN 0.589 nan 8.370 nan 0.000 0.416 329 K N 0.889 121.133 120.400 -0.259 0.000 2.234 329 K HA 0.235 4.554 4.320 -0.002 0.000 0.282 329 K C 0.604 177.236 176.600 0.052 0.000 1.039 329 K CA -0.371 55.851 56.287 -0.107 0.000 0.928 329 K CB 1.606 33.920 32.500 -0.310 0.000 1.039 329 K HN -0.006 nan 8.250 nan 0.000 0.470 330 K N 4.168 124.703 120.400 0.225 0.000 2.339 330 K HA 0.221 4.540 4.320 -0.002 0.000 0.286 330 K C -0.813 175.896 176.600 0.181 0.000 1.050 330 K CA -0.085 56.325 56.287 0.206 0.000 0.956 330 K CB 0.401 32.955 32.500 0.090 0.000 0.990 330 K HN 0.481 nan 8.250 nan 0.000 0.475 331 I N 3.433 124.102 120.570 0.165 0.000 2.499 331 I HA 0.282 4.451 4.170 -0.002 0.000 0.288 331 I C -0.629 175.575 176.117 0.146 0.000 1.048 331 I CA -0.982 60.400 61.300 0.136 0.000 1.062 331 I CB 2.103 40.156 38.000 0.087 0.000 1.238 331 I HN 0.672 nan 8.210 nan 0.000 0.426 332 A N 7.529 130.422 122.820 0.121 0.000 2.309 332 A HA 0.645 4.964 4.320 -0.002 0.000 0.290 332 A C -0.405 177.245 177.584 0.110 0.000 1.206 332 A CA -0.342 51.764 52.037 0.115 0.000 0.850 332 A CB 0.160 19.200 19.000 0.065 0.000 1.118 332 A HN 0.504 nan 8.150 nan 0.000 0.523 333 I N 4.299 124.947 120.570 0.130 0.000 2.291 333 I HA 0.195 4.364 4.170 -0.002 0.000 0.290 333 I C -0.308 175.876 176.117 0.112 0.000 1.050 333 I CA -0.166 61.219 61.300 0.141 0.000 1.245 333 I CB 0.470 38.590 38.000 0.200 0.000 1.405 333 I HN 0.489 nan 8.210 nan 0.000 0.478 334 L N 6.078 127.301 121.223 -0.001 0.000 2.264 334 L HA 0.684 5.023 4.340 -0.002 0.000 0.287 334 L C 0.533 177.424 176.870 0.034 0.000 1.039 334 L CA -0.472 54.242 54.840 -0.212 0.000 0.829 334 L CB 1.013 42.550 42.059 -0.870 0.000 1.211 334 L HN 0.851 nan 8.230 nan 0.000 0.427 335 G N 2.122 111.153 108.800 0.385 0.000 3.444 335 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.685 335 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.685 335 G C -0.812 174.360 174.900 0.454 0.000 1.145 335 G CA -0.666 44.797 45.100 0.605 0.000 0.973 335 G HN 0.512 nan 8.290 nan 0.000 0.525 336 F N 2.051 122.159 119.950 0.262 0.000 2.778 336 F HA 0.639 5.165 4.527 -0.001 0.000 0.314 336 F C 1.769 177.678 175.800 0.181 0.000 1.073 336 F CA 1.164 59.266 58.000 0.170 0.000 1.218 336 F CB 0.386 39.443 39.000 0.096 0.000 1.037 336 F HN 0.982 nan 8.300 nan 0.000 0.594 337 A N 0.584 123.602 122.820 0.330 0.000 2.406 337 A HA 0.182 4.501 4.320 -0.002 0.000 0.243 337 A C 0.840 178.451 177.584 0.045 0.000 1.082 337 A CA 0.120 52.273 52.037 0.193 0.000 0.786 337 A CB -0.492 18.632 19.000 0.206 0.000 1.029 337 A HN 0.524 nan 8.150 nan 0.000 0.495 338 F N -0.059 119.866 119.950 -0.041 0.000 2.502 338 F HA 0.216 4.742 4.527 -0.002 0.000 0.298 338 F C 0.642 176.380 175.800 -0.102 0.000 1.111 338 F CA 0.718 58.674 58.000 -0.074 0.000 1.445 338 F CB -0.212 38.751 39.000 -0.061 0.000 1.081 338 F HN 0.612 nan 8.300 nan 0.000 0.558 339 K N 0.445 120.409 120.400 -0.726 0.000 2.556 339 K HA 0.342 4.661 4.320 -0.002 0.000 0.289 339 K C -1.258 174.886 176.600 -0.760 0.000 1.040 339 K CA -1.206 54.691 56.287 -0.650 0.000 0.894 339 K CB 1.264 33.327 32.500 -0.728 0.000 1.547 339 K HN 0.147 nan 8.250 nan 0.000 0.417 340 K N 0.119 120.029 120.400 -0.817 0.000 2.120 340 K HA 0.178 4.497 4.320 -0.002 0.000 0.245 340 K C -0.844 175.139 176.600 -1.028 0.000 1.024 340 K CA 0.110 55.593 56.287 -1.341 0.000 0.906 340 K CB 0.094 31.968 32.500 -1.043 0.000 1.051 340 K HN 0.643 nan 8.250 nan 0.000 0.491 341 D N -0.784 118.859 120.400 -1.261 0.000 2.870 341 D HA -0.157 4.482 4.640 -0.002 0.000 0.228 341 D C -0.792 175.428 176.300 -0.134 0.000 1.147 341 D CA 1.714 55.494 54.000 -0.367 0.000 0.757 341 D CB -1.442 39.243 40.800 -0.192 0.000 1.091 341 D HN 0.750 nan 8.370 nan 0.000 0.429 342 T N -2.795 111.695 114.554 -0.107 0.000 2.853 342 T HA 0.595 4.944 4.350 -0.002 0.000 0.311 342 T C 0.854 175.685 174.700 0.218 0.000 1.307 342 T CA -0.006 62.129 62.100 0.058 0.000 1.019 342 T CB 1.723 70.546 68.868 -0.075 0.000 1.264 342 T HN -0.045 nan 8.240 nan 0.000 0.497 343 G N 0.984 109.898 108.800 0.191 0.000 3.126 343 G HA2 0.187 4.146 3.960 -0.002 0.000 0.224 343 G HA3 0.187 4.146 3.960 -0.002 0.000 0.224 343 G C 0.185 175.195 174.900 0.183 0.000 1.142 343 G CA -0.116 45.096 45.100 0.186 0.000 0.759 343 G HN 0.669 nan 8.290 nan 0.000 0.550 344 D N 1.110 121.627 120.400 0.194 0.000 2.383 344 D HA 0.202 4.841 4.640 -0.002 0.000 0.252 344 D C 1.484 177.982 176.300 0.330 0.000 1.166 344 D CA 0.344 54.497 54.000 0.254 0.000 0.879 344 D CB 1.394 42.404 40.800 0.351 0.000 1.164 344 D HN 0.109 nan 8.370 nan 0.000 0.462 345 T N 0.470 115.172 114.554 0.247 0.000 3.040 345 T HA 0.221 4.571 4.350 -0.002 0.000 0.266 345 T C 0.902 175.661 174.700 0.099 0.000 1.005 345 T CA -0.468 61.751 62.100 0.199 0.000 0.906 345 T CB 0.084 69.088 68.868 0.227 0.000 1.082 345 T HN 0.212 nan 8.240 nan 0.000 0.531 346 R N 2.503 123.028 120.500 0.042 0.000 2.484 346 R HA 0.101 4.440 4.340 -0.002 0.000 0.293 346 R C 0.138 176.371 176.300 -0.113 0.000 1.023 346 R CA 0.030 56.088 56.100 -0.070 0.000 1.037 346 R CB 0.053 30.271 30.300 -0.137 0.000 0.951 346 R HN 0.255 nan 8.270 nan 0.000 0.418 347 E N -0.136 120.056 120.200 -0.014 0.000 2.604 347 E HA -0.240 4.109 4.350 -0.002 0.000 0.255 347 E C -0.380 176.291 176.600 0.118 0.000 1.164 347 E CA 1.020 57.479 56.400 0.097 0.000 0.737 347 E CB -1.305 28.423 29.700 0.045 0.000 1.317 347 E HN 0.578 nan 8.360 nan 0.000 0.417 348 S N -0.407 115.326 115.700 0.056 0.000 2.537 348 S HA 0.142 4.611 4.470 -0.002 0.000 0.286 348 S C 1.526 176.156 174.600 0.050 0.000 1.299 348 S CA 0.419 58.639 58.200 0.034 0.000 1.067 348 S CB 0.925 64.055 63.200 -0.117 0.000 0.864 348 S HN 0.225 nan 8.310 nan 0.000 0.494 349 S N 3.858 119.589 115.700 0.051 0.000 2.419 349 S HA -0.103 4.367 4.470 -0.002 0.000 0.235 349 S C 2.118 176.736 174.600 0.029 0.000 1.019 349 S CA 1.541 59.780 58.200 0.066 0.000 0.982 349 S CB -0.320 62.868 63.200 -0.020 0.000 0.789 349 S HN 0.789 nan 8.310 nan 0.000 0.490 350 S N 1.556 117.179 115.700 -0.127 0.000 2.383 350 S HA -0.036 4.433 4.470 -0.002 0.000 0.229 350 S C 1.719 176.133 174.600 -0.309 0.000 1.030 350 S CA 0.994 59.061 58.200 -0.222 0.000 1.002 350 S CB -0.395 62.536 63.200 -0.449 0.000 0.829 350 S HN 0.477 nan 8.310 nan 0.000 0.467 351 I N -0.008 120.262 120.570 -0.500 0.000 2.179 351 I HA -0.226 3.943 4.170 -0.002 0.000 0.242 351 I C 2.034 177.961 176.117 -0.315 0.000 1.088 351 I CA 1.547 62.621 61.300 -0.377 0.000 1.357 351 I CB -0.468 37.243 38.000 -0.481 0.000 1.051 351 I HN 0.280 nan 8.210 nan 0.000 0.409 352 Y N 0.316 120.518 120.300 -0.164 0.000 2.220 352 Y HA -0.155 4.395 4.550 -0.001 0.000 0.291 352 Y C 2.502 178.273 175.900 -0.215 0.000 1.129 352 Y CA 0.904 58.851 58.100 -0.254 0.000 1.161 352 Y CB -0.271 38.067 38.460 -0.203 0.000 0.997 352 Y HN 0.036 nan 8.280 nan 0.000 0.522 353 I N -0.739 119.926 120.570 0.159 0.000 2.179 353 I HA -0.276 3.893 4.170 -0.002 0.000 0.242 353 I C 2.288 178.499 176.117 0.157 0.000 1.088 353 I CA 1.352 62.802 61.300 0.250 0.000 1.357 353 I CB -1.442 36.715 38.000 0.262 0.000 1.051 353 I HN 0.136 nan 8.210 nan 0.000 0.409 354 S N 0.870 116.636 115.700 0.110 0.000 2.359 354 S HA -0.193 4.276 4.470 -0.002 0.000 0.224 354 S C 1.958 176.588 174.600 0.050 0.000 1.035 354 S CA 1.366 59.635 58.200 0.115 0.000 1.018 354 S CB -0.198 63.129 63.200 0.212 0.000 0.876 354 S HN 0.426 nan 8.310 nan 0.000 0.448 355 K N 0.000 120.374 120.400 -0.045 0.000 2.097 355 K HA -0.089 4.230 4.320 -0.002 0.000 0.206 355 K C 1.904 178.477 176.600 -0.044 0.000 1.049 355 K CA 1.372 57.599 56.287 -0.099 0.000 0.933 355 K CB -0.330 32.030 32.500 -0.234 0.000 0.717 355 K HN 0.481 nan 8.250 nan 0.000 0.442 356 Y N 1.003 121.318 120.300 0.025 0.000 2.181 356 Y HA -0.215 4.334 4.550 -0.002 0.000 0.288 356 Y C 2.177 178.066 175.900 -0.020 0.000 1.146 356 Y CA 0.600 58.704 58.100 0.007 0.000 1.164 356 Y CB -0.085 38.378 38.460 0.005 0.000 0.982 356 Y HN -0.016 nan 8.280 nan 0.000 0.515 357 L N -1.007 120.301 121.223 0.142 0.000 2.131 357 L HA -0.207 4.132 4.340 -0.002 0.000 0.206 357 L C 2.311 179.206 176.870 0.042 0.000 1.087 357 L CA 0.943 55.814 54.840 0.051 0.000 0.767 357 L CB -0.430 41.643 42.059 0.024 0.000 0.917 357 L HN 0.314 nan 8.230 nan 0.000 0.441 358 M N -0.312 119.319 119.600 0.052 0.000 2.149 358 M HA -0.231 4.248 4.480 -0.002 0.000 0.261 358 M C 1.559 177.881 176.300 0.037 0.000 1.064 358 M CA 1.553 56.878 55.300 0.042 0.000 1.102 358 M CB -0.431 32.187 32.600 0.029 0.000 1.369 358 M HN 0.176 nan 8.290 nan 0.000 0.408 359 D N 0.144 120.572 120.400 0.048 0.000 2.309 359 D HA -0.109 4.530 4.640 -0.002 0.000 0.212 359 D C 1.531 177.851 176.300 0.032 0.000 0.968 359 D CA 0.956 54.985 54.000 0.048 0.000 0.882 359 D CB -0.143 40.708 40.800 0.084 0.000 0.918 359 D HN 0.399 nan 8.370 nan 0.000 0.503 360 E N -0.558 119.653 120.200 0.020 0.000 2.474 360 E HA 0.175 4.524 4.350 -0.002 0.000 0.195 360 E C 1.287 177.872 176.600 -0.024 0.000 1.039 360 E CA 0.222 56.616 56.400 -0.010 0.000 0.881 360 E CB 0.811 30.491 29.700 -0.033 0.000 0.970 360 E HN 0.251 nan 8.360 nan 0.000 0.486 361 G N 1.561 110.356 108.800 -0.008 0.000 2.141 361 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.242 361 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.242 361 G C 0.509 175.379 174.900 -0.050 0.000 0.982 361 G CA 0.166 45.257 45.100 -0.016 0.000 0.662 361 G HN 0.476 nan 8.290 nan 0.000 0.527 362 A N -0.012 122.792 122.820 -0.027 0.000 2.445 362 A HA 0.572 4.891 4.320 -0.002 0.000 0.242 362 A C 0.273 177.922 177.584 0.108 0.000 1.075 362 A CA 0.061 52.083 52.037 -0.025 0.000 0.777 362 A CB 0.122 19.118 19.000 -0.006 0.000 1.013 362 A HN 0.617 nan 8.150 nan 0.000 0.493 363 H N 1.859 120.971 119.070 0.071 0.000 2.872 363 H HA 0.309 4.864 4.556 -0.002 0.000 0.273 363 H C -0.634 174.808 175.328 0.190 0.000 1.205 363 H CA -0.494 55.624 56.048 0.117 0.000 1.342 363 H CB 0.241 30.100 29.762 0.162 0.000 1.469 363 H HN 0.470 nan 8.280 nan 0.000 0.487 364 L N 4.482 125.842 121.223 0.227 0.000 2.305 364 L HA 0.218 4.557 4.340 -0.002 0.000 0.281 364 L C 0.348 177.300 176.870 0.138 0.000 1.085 364 L CA -0.234 54.716 54.840 0.183 0.000 0.813 364 L CB 0.613 42.732 42.059 0.100 0.000 1.157 364 L HN 0.630 nan 8.230 nan 0.000 0.436 365 H N 5.145 124.252 119.070 0.061 0.000 2.638 365 H HA 0.438 4.993 4.556 -0.002 0.000 0.317 365 H C -0.563 174.797 175.328 0.052 0.000 1.006 365 H CA -0.548 55.526 56.048 0.043 0.000 1.222 365 H CB 1.839 31.630 29.762 0.047 0.000 1.419 365 H HN 0.443 nan 8.280 nan 0.000 0.489 366 I N 4.243 124.862 120.570 0.080 0.000 2.330 366 I HA 0.079 4.248 4.170 -0.002 0.000 0.289 366 I C -0.725 175.449 176.117 0.095 0.000 1.001 366 I CA -0.724 60.614 61.300 0.062 0.000 1.193 366 I CB 0.844 38.792 38.000 -0.086 0.000 1.345 366 I HN 0.456 nan 8.210 nan 0.000 0.461 367 Y N 6.709 127.027 120.300 0.029 0.000 2.335 367 Y HA 0.472 5.021 4.550 -0.002 0.000 0.338 367 Y C -0.899 175.055 175.900 0.089 0.000 0.977 367 Y CA -0.652 57.464 58.100 0.027 0.000 1.114 367 Y CB 1.143 39.612 38.460 0.015 0.000 1.182 367 Y HN 0.511 nan 8.280 nan 0.000 0.463 368 D N 7.803 127.688 120.400 -0.857 0.000 2.964 368 D HA 0.261 4.900 4.640 -0.002 0.000 0.234 368 D C -2.312 173.311 176.300 -1.129 0.000 1.223 368 D CA -1.868 51.649 54.000 -0.805 0.000 0.889 368 D CB 3.175 43.872 40.800 -0.171 0.000 1.609 368 D HN 0.349 nan 8.370 nan 0.000 0.523 369 P HA -0.037 nan 4.420 nan 0.000 0.229 369 P C 0.809 177.780 177.300 -0.549 0.000 1.160 369 P CA 0.601 63.210 63.100 -0.818 0.000 0.777 369 P CB 0.726 31.880 31.700 -0.910 0.000 0.814 370 K N -1.166 118.939 120.400 -0.491 0.000 2.544 370 K HA 0.198 4.517 4.320 -0.002 0.000 0.213 370 K C 0.636 177.210 176.600 -0.044 0.000 1.392 370 K CA 0.068 56.250 56.287 -0.175 0.000 0.980 370 K CB 0.078 32.590 32.500 0.019 0.000 1.177 370 K HN -0.109 nan 8.250 nan 0.000 0.570 371 V N 4.382 124.286 119.914 -0.017 0.000 2.521 371 V HA 0.276 4.395 4.120 -0.002 0.000 0.286 371 V C -2.348 173.728 176.094 -0.030 0.000 1.034 371 V CA -1.608 60.719 62.300 0.046 0.000 1.045 371 V CB 0.863 32.773 31.823 0.146 0.000 0.974 371 V HN 0.341 nan 8.190 nan 0.000 0.480 372 P HA 0.195 nan 4.420 nan 0.000 0.271 372 P C 0.584 177.847 177.300 -0.062 0.000 1.216 372 P CA -0.502 62.574 63.100 -0.040 0.000 0.776 372 P CB 0.453 32.140 31.700 -0.022 0.000 0.881 373 R N 1.797 122.249 120.500 -0.078 0.000 2.152 373 R HA -0.162 4.177 4.340 -0.002 0.000 0.232 373 R C 0.930 177.170 176.300 -0.100 0.000 1.117 373 R CA 1.473 57.508 56.100 -0.107 0.000 0.981 373 R CB -0.736 29.509 30.300 -0.092 0.000 0.870 373 R HN 0.304 nan 8.270 nan 0.000 0.451 374 E N 1.005 121.166 120.200 -0.066 0.000 2.110 374 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 374 E C 1.934 178.509 176.600 -0.043 0.000 0.988 374 E CA 1.286 57.656 56.400 -0.051 0.000 0.804 374 E CB -0.117 29.562 29.700 -0.035 0.000 0.745 374 E HN 0.325 nan 8.360 nan 0.000 0.458 375 Q N 0.613 120.395 119.800 -0.030 0.000 2.079 375 Q HA -0.039 4.300 4.340 -0.002 0.000 0.200 375 Q C 1.917 177.910 176.000 -0.012 0.000 0.974 375 Q CA 1.275 57.082 55.803 0.006 0.000 0.840 375 Q CB -0.148 28.621 28.738 0.052 0.000 0.898 375 Q HN 0.363 nan 8.270 nan 0.000 0.430 376 I N -0.653 119.840 120.570 -0.129 0.000 2.208 376 I HA -0.279 3.890 4.170 -0.002 0.000 0.245 376 I C 2.012 177.997 176.117 -0.220 0.000 1.097 376 I CA 0.935 62.016 61.300 -0.365 0.000 1.363 376 I CB -0.372 37.240 38.000 -0.646 0.000 1.051 376 I HN 0.058 nan 8.210 nan 0.000 0.413 377 V N 0.385 120.210 119.914 -0.148 0.000 2.295 377 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 377 V C 2.469 178.531 176.094 -0.053 0.000 1.049 377 V CA 1.564 63.804 62.300 -0.099 0.000 1.024 377 V CB -0.432 31.342 31.823 -0.082 0.000 0.648 377 V HN 0.225 nan 8.190 nan 0.000 0.447 378 V N 0.302 120.196 119.914 -0.032 0.000 2.287 378 V HA -0.296 3.823 4.120 -0.002 0.000 0.248 378 V C 2.327 178.424 176.094 0.005 0.000 1.053 378 V CA 2.356 64.650 62.300 -0.010 0.000 1.027 378 V CB -0.743 31.080 31.823 0.001 0.000 0.646 378 V HN 0.567 nan 8.190 nan 0.000 0.447 379 D N -0.052 120.372 120.400 0.040 0.000 2.149 379 D HA -0.114 4.525 4.640 -0.002 0.000 0.198 379 D C 1.819 178.145 176.300 0.043 0.000 0.990 379 D CA 1.262 55.309 54.000 0.079 0.000 0.839 379 D CB -0.120 40.836 40.800 0.260 0.000 0.948 379 D HN 0.370 nan 8.370 nan 0.000 0.460 380 L N 0.106 121.349 121.223 0.033 0.000 2.592 380 L HA 0.106 4.445 4.340 -0.002 0.000 0.227 380 L C 0.628 177.484 176.870 -0.024 0.000 1.127 380 L CA -0.033 54.810 54.840 0.005 0.000 0.884 380 L CB 0.279 42.338 42.059 0.000 0.000 1.065 380 L HN -0.223 nan 8.230 nan 0.000 0.457 381 S N -1.465 114.221 115.700 -0.024 0.000 2.654 381 S HA 0.597 5.066 4.470 -0.002 0.000 0.283 381 S C 0.175 174.760 174.600 -0.024 0.000 1.180 381 S CA -0.345 57.840 58.200 -0.024 0.000 1.021 381 S CB 0.960 64.146 63.200 -0.022 0.000 1.018 381 S HN 0.430 nan 8.310 nan 0.000 0.532 390 Q N 0.239 120.037 119.800 -0.004 0.000 2.311 390 Q HA 0.414 4.753 4.340 -0.002 0.000 0.203 390 Q C 2.586 178.581 176.000 -0.007 0.000 0.954 390 Q CA 2.000 57.804 55.803 0.002 0.000 0.885 390 Q CB -0.707 28.035 28.738 0.007 0.000 0.963 390 Q HN 0.909 nan 8.270 nan 0.000 0.471 391 V N 1.745 121.646 119.914 -0.021 0.000 2.244 391 V HA -0.282 3.837 4.120 -0.002 0.000 0.244 391 V C 2.893 178.956 176.094 -0.052 0.000 1.042 391 V CA 2.367 64.644 62.300 -0.038 0.000 1.006 391 V CB -0.737 31.059 31.823 -0.045 0.000 0.641 391 V HN 0.858 nan 8.190 nan 0.000 0.446 392 S N 0.376 116.048 115.700 -0.047 0.000 2.383 392 S HA -0.295 4.174 4.470 -0.002 0.000 0.229 392 S C 2.075 176.639 174.600 -0.060 0.000 1.030 392 S CA 1.830 59.996 58.200 -0.055 0.000 1.002 392 S CB -0.543 62.632 63.200 -0.042 0.000 0.829 392 S HN 0.539 nan 8.310 nan 0.000 0.467 393 R N 0.712 121.189 120.500 -0.038 0.000 2.066 393 R HA 0.159 4.498 4.340 -0.002 0.000 0.232 393 R C 2.010 178.281 176.300 -0.049 0.000 1.131 393 R CA 1.553 57.636 56.100 -0.029 0.000 0.955 393 R CB -0.185 30.120 30.300 0.009 0.000 0.851 393 R HN 0.475 nan 8.270 nan 0.000 0.432 394 L N -0.560 120.653 121.223 -0.017 0.000 2.575 394 L HA 0.243 4.582 4.340 -0.002 0.000 0.228 394 L C -0.094 176.761 176.870 -0.026 0.000 1.075 394 L CA -0.204 54.660 54.840 0.041 0.000 0.867 394 L CB 1.141 43.260 42.059 0.100 0.000 1.097 394 L HN -0.118 nan 8.230 nan 0.000 0.485 395 V N 0.327 120.192 119.914 -0.081 0.000 2.398 395 V HA 0.349 4.468 4.120 -0.002 0.000 0.286 395 V C -0.189 175.778 176.094 -0.213 0.000 1.026 395 V CA -0.191 62.036 62.300 -0.122 0.000 0.868 395 V CB 1.630 33.394 31.823 -0.099 0.000 0.982 395 V HN 0.083 nan 8.190 nan 0.000 0.443 396 T N 6.084 120.438 114.554 -0.334 0.000 2.824 396 T HA 0.555 4.904 4.350 -0.002 0.000 0.282 396 T C -0.439 174.107 174.700 -0.257 0.000 0.993 396 T CA -0.367 61.493 62.100 -0.399 0.000 0.967 396 T CB 1.206 69.559 68.868 -0.859 0.000 0.960 396 T HN 0.289 nan 8.240 nan 0.000 0.441 397 I N 3.293 123.765 120.570 -0.163 0.000 2.297 397 I HA 0.298 4.467 4.170 -0.002 0.000 0.291 397 I C 0.711 176.815 176.117 -0.021 0.000 1.033 397 I CA -0.468 60.772 61.300 -0.100 0.000 1.253 397 I CB 0.331 38.262 38.000 -0.115 0.000 1.396 397 I HN 0.536 nan 8.210 nan 0.000 0.476 398 S N 4.869 120.604 115.700 0.059 0.000 2.601 398 S HA 0.386 4.855 4.470 -0.002 0.000 0.271 398 S C 1.328 176.033 174.600 0.175 0.000 1.305 398 S CA -0.391 57.885 58.200 0.125 0.000 1.022 398 S CB 1.494 64.796 63.200 0.170 0.000 0.940 398 S HN 0.747 nan 8.310 nan 0.000 0.525 399 K N 0.631 121.104 120.400 0.122 0.000 2.314 399 K HA 0.167 4.486 4.320 -0.002 0.000 0.198 399 K C 0.152 176.813 176.600 0.101 0.000 1.045 399 K CA 1.372 57.733 56.287 0.124 0.000 0.988 399 K CB -0.645 31.889 32.500 0.057 0.000 0.783 399 K HN 0.928 nan 8.250 nan 0.000 0.484 400 D N -4.137 116.224 120.400 -0.065 0.000 2.599 400 D HA 0.316 4.955 4.640 -0.002 0.000 0.252 400 D C -2.564 173.393 176.300 -0.571 0.000 1.232 400 D CA -1.459 52.272 54.000 -0.449 0.000 0.819 400 D CB 1.923 42.621 40.800 -0.169 0.000 1.401 400 D HN -0.170 nan 8.370 nan 0.000 0.429 401 P HA -0.078 nan 4.420 nan 0.000 0.221 401 P C 0.621 177.645 177.300 -0.459 0.000 1.150 401 P CA 0.992 63.709 63.100 -0.639 0.000 0.800 401 P CB -0.091 31.188 31.700 -0.701 0.000 0.787 402 Y N 0.403 120.593 120.300 -0.183 0.000 2.220 402 Y HA -0.092 4.457 4.550 -0.002 0.000 0.291 402 Y C 2.460 178.315 175.900 -0.075 0.000 1.129 402 Y CA 1.056 59.089 58.100 -0.111 0.000 1.161 402 Y CB -1.100 37.298 38.460 -0.103 0.000 0.997 402 Y HN 0.009 nan 8.280 nan 0.000 0.522 403 E N 0.182 120.422 120.200 0.066 0.000 2.049 403 E HA -0.300 4.049 4.350 -0.002 0.000 0.198 403 E C 2.443 179.054 176.600 0.019 0.000 1.007 403 E CA 1.295 57.720 56.400 0.043 0.000 0.809 403 E CB -0.361 29.371 29.700 0.054 0.000 0.749 403 E HN 0.468 nan 8.360 nan 0.000 0.450 404 A N 0.438 123.268 122.820 0.016 0.000 1.940 404 A HA -0.207 4.112 4.320 -0.002 0.000 0.219 404 A C 2.287 179.853 177.584 -0.030 0.000 1.176 404 A CA 1.413 53.476 52.037 0.044 0.000 0.631 404 A CB -0.578 18.464 19.000 0.071 0.000 0.814 404 A HN 0.398 nan 8.150 nan 0.000 0.446 405 C N -0.227 119.050 119.300 -0.037 0.000 2.618 405 C HA 0.128 4.587 4.460 -0.002 0.000 0.264 405 C C 0.808 175.791 174.990 -0.011 0.000 1.334 405 C CA -0.521 58.492 59.018 -0.009 0.000 1.731 405 C CB -1.260 26.482 27.740 0.004 0.000 1.852 405 C HN 0.548 nan 8.230 nan 0.000 0.566 406 D N 0.299 120.679 120.400 -0.033 0.000 2.358 406 D HA 0.375 5.014 4.640 -0.002 0.000 0.258 406 D C 1.235 177.487 176.300 -0.081 0.000 1.223 406 D CA 1.491 55.470 54.000 -0.036 0.000 0.886 406 D CB 0.262 41.050 40.800 -0.019 0.000 1.120 406 D HN 0.468 nan 8.370 nan 0.000 0.482 407 G N 2.708 111.463 108.800 -0.075 0.000 2.162 407 G HA2 -0.186 3.774 3.960 -0.002 0.000 0.260 407 G HA3 -0.186 3.774 3.960 -0.002 0.000 0.260 407 G C 0.511 175.339 174.900 -0.120 0.000 0.976 407 G CA 0.353 45.394 45.100 -0.098 0.000 0.655 407 G HN 0.885 nan 8.290 nan 0.000 0.533 408 A N -0.406 122.363 122.820 -0.084 0.000 2.351 408 A HA 0.665 4.984 4.320 -0.002 0.000 0.257 408 A C 1.093 178.652 177.584 -0.040 0.000 1.087 408 A CA 0.441 52.466 52.037 -0.020 0.000 0.798 408 A CB 0.254 19.272 19.000 0.031 0.000 1.033 408 A HN 0.425 nan 8.150 nan 0.000 0.488 409 H N 0.578 119.697 119.070 0.082 0.000 2.465 409 H HA 0.295 4.850 4.556 -0.002 0.000 0.289 409 H C 0.714 176.193 175.328 0.251 0.000 1.022 409 H CA 1.422 57.554 56.048 0.140 0.000 1.340 409 H CB 0.461 30.287 29.762 0.107 0.000 1.437 409 H HN 0.757 nan 8.280 nan 0.000 0.539 410 A N 0.866 123.887 122.820 0.335 0.000 2.549 410 A HA 0.506 4.825 4.320 -0.002 0.000 0.297 410 A C -1.062 176.683 177.584 0.268 0.000 1.061 410 A CA -0.526 51.734 52.037 0.372 0.000 0.690 410 A CB 1.854 21.070 19.000 0.360 0.000 1.287 410 A HN -0.028 nan 8.150 nan 0.000 0.402 411 V N 1.911 121.994 119.914 0.282 0.000 2.384 411 V HA 0.506 4.625 4.120 -0.002 0.000 0.287 411 V C -0.497 175.728 176.094 0.220 0.000 1.020 411 V CA -0.477 61.935 62.300 0.186 0.000 0.850 411 V CB 1.339 33.246 31.823 0.140 0.000 0.987 411 V HN 0.649 nan 8.190 nan 0.000 0.436 412 V N 6.610 126.628 119.914 0.174 0.000 2.350 412 V HA 0.483 4.602 4.120 -0.002 0.000 0.285 412 V C -0.142 176.058 176.094 0.176 0.000 1.014 412 V CA -0.398 62.038 62.300 0.227 0.000 0.831 412 V CB 1.616 33.535 31.823 0.161 0.000 1.000 412 V HN 0.691 nan 8.190 nan 0.000 0.433 413 I N 4.135 124.828 120.570 0.204 0.000 2.304 413 I HA 0.252 4.421 4.170 -0.002 0.000 0.291 413 I C 0.588 176.814 176.117 0.182 0.000 1.018 413 I CA -0.019 61.355 61.300 0.124 0.000 1.260 413 I CB 1.128 39.199 38.000 0.118 0.000 1.390 413 I HN 0.675 nan 8.210 nan 0.000 0.475 414 C N 2.937 122.343 119.300 0.177 0.000 3.188 414 C HA 0.192 4.651 4.460 -0.002 0.000 0.315 414 C C 0.979 176.037 174.990 0.114 0.000 1.285 414 C CA 0.180 59.272 59.018 0.124 0.000 1.729 414 C CB -0.059 27.762 27.740 0.136 0.000 2.257 414 C HN 0.726 nan 8.230 nan 0.000 0.645 415 T N 1.723 116.423 114.554 0.243 0.000 2.876 415 T HA 0.227 4.576 4.350 -0.002 0.000 0.289 415 T C 0.222 175.056 174.700 0.223 0.000 1.014 415 T CA -0.177 62.025 62.100 0.170 0.000 0.986 415 T CB 1.422 70.414 68.868 0.207 0.000 1.021 415 T HN 0.335 nan 8.240 nan 0.000 0.458 416 E N 1.675 121.850 120.200 -0.042 0.000 2.330 416 E HA -0.023 4.326 4.350 -0.002 0.000 0.210 416 E C -0.871 175.675 176.600 -0.091 0.000 1.256 416 E CA -0.558 55.835 56.400 -0.011 0.000 1.346 416 E CB -0.347 29.309 29.700 -0.074 0.000 1.308 416 E HN 0.622 nan 8.360 nan 0.000 0.441 417 W N 1.734 122.956 121.300 -0.130 0.000 2.347 417 W HA 0.018 4.677 4.660 -0.001 0.000 0.333 417 W C 1.108 177.430 176.519 -0.329 0.000 1.383 417 W CA -0.261 56.857 57.345 -0.378 0.000 1.283 417 W CB 0.545 29.486 29.460 -0.865 0.000 1.253 417 W HN 0.113 nan 8.180 nan 0.000 0.563 418 D N 3.118 123.547 120.400 0.048 0.000 2.221 418 D HA -0.229 4.410 4.640 -0.002 0.000 0.204 418 D C 2.169 178.495 176.300 0.043 0.000 0.982 418 D CA 1.859 55.885 54.000 0.044 0.000 0.857 418 D CB -0.159 40.668 40.800 0.045 0.000 0.934 418 D HN 0.581 nan 8.370 nan 0.000 0.475 419 M N -1.232 118.352 119.600 -0.026 0.000 2.279 419 M HA -0.091 4.388 4.480 -0.002 0.000 0.264 419 M C 1.575 177.942 176.300 0.112 0.000 1.062 419 M CA 1.231 56.525 55.300 -0.010 0.000 1.099 419 M CB -0.498 32.052 32.600 -0.083 0.000 1.394 419 M HN -0.225 nan 8.290 nan 0.000 0.426 420 F N 2.462 122.515 119.950 0.171 0.000 2.293 420 F HA -0.039 4.487 4.527 -0.002 0.000 0.300 420 F C 2.446 178.378 175.800 0.220 0.000 1.086 420 F CA 1.228 59.328 58.000 0.166 0.000 1.375 420 F CB -0.927 38.201 39.000 0.213 0.000 1.045 420 F HN 0.381 nan 8.300 nan 0.000 0.516 421 K N -0.127 120.487 120.400 0.356 0.000 2.432 421 K HA -0.034 4.285 4.320 -0.002 0.000 0.196 421 K C 0.746 177.512 176.600 0.277 0.000 1.038 421 K CA 0.961 57.430 56.287 0.303 0.000 0.986 421 K CB -0.140 32.470 32.500 0.183 0.000 0.782 421 K HN 0.087 nan 8.250 nan 0.000 0.485 422 E N 1.256 121.584 120.200 0.212 0.000 2.479 422 E HA 0.153 4.502 4.350 -0.002 0.000 0.193 422 E C 0.489 177.162 176.600 0.120 0.000 1.049 422 E CA -0.038 56.453 56.400 0.152 0.000 0.870 422 E CB 0.050 29.813 29.700 0.106 0.000 0.944 422 E HN 0.329 nan 8.360 nan 0.000 0.492 423 L N 1.373 122.631 121.223 0.058 0.000 2.473 423 L HA 0.055 4.394 4.340 -0.002 0.000 0.268 423 L C 0.819 177.602 176.870 -0.144 0.000 1.215 423 L CA -0.154 54.581 54.840 -0.174 0.000 0.823 423 L CB 0.272 41.945 42.059 -0.643 0.000 1.099 423 L HN -0.165 nan 8.230 nan 0.000 0.483 424 D N 0.310 120.732 120.400 0.037 0.000 2.483 424 D HA 0.063 4.702 4.640 -0.002 0.000 0.220 424 D C 0.493 176.851 176.300 0.097 0.000 1.173 424 D CA 0.097 54.166 54.000 0.115 0.000 0.964 424 D CB 0.251 41.122 40.800 0.118 0.000 1.046 424 D HN 0.281 nan 8.370 nan 0.000 0.517 425 Y N 1.345 121.776 120.300 0.218 0.000 2.457 425 Y HA -0.011 4.538 4.550 -0.002 0.000 0.292 425 Y C 2.211 178.345 175.900 0.390 0.000 1.125 425 Y CA 0.522 58.793 58.100 0.284 0.000 1.254 425 Y CB 0.324 38.884 38.460 0.166 0.000 1.012 425 Y HN 0.391 nan 8.280 nan 0.000 0.555 426 E N 0.233 120.651 120.200 0.363 0.000 2.047 426 E HA -0.239 4.110 4.350 -0.002 0.000 0.191 426 E C 2.283 179.002 176.600 0.198 0.000 0.987 426 E CA 0.836 57.377 56.400 0.236 0.000 0.799 426 E CB -0.069 29.715 29.700 0.139 0.000 0.752 426 E HN 0.325 nan 8.360 nan 0.000 0.449 427 R N 0.784 121.382 120.500 0.162 0.000 2.083 427 R HA -0.184 4.155 4.340 -0.002 0.000 0.237 427 R C 2.263 178.667 176.300 0.172 0.000 1.137 427 R CA 1.533 57.700 56.100 0.112 0.000 0.951 427 R CB -0.298 30.020 30.300 0.031 0.000 0.851 427 R HN 0.166 nan 8.270 nan 0.000 0.434 428 I N -0.156 120.578 120.570 0.272 0.000 2.179 428 I HA -0.319 3.850 4.170 -0.002 0.000 0.242 428 I C 2.712 178.990 176.117 0.267 0.000 1.088 428 I CA 1.501 62.976 61.300 0.291 0.000 1.357 428 I CB -0.658 37.532 38.000 0.316 0.000 1.051 428 I HN 0.402 nan 8.210 nan 0.000 0.409 429 H N 2.037 121.229 119.070 0.203 0.000 2.352 429 H HA -0.182 4.373 4.556 -0.002 0.000 0.299 429 H C 2.167 177.428 175.328 -0.111 0.000 1.097 429 H CA 1.758 57.714 56.048 -0.153 0.000 1.311 429 H CB 0.162 29.651 29.762 -0.454 0.000 1.377 429 H HN 0.283 nan 8.280 nan 0.000 0.504 430 K N 0.464 120.883 120.400 0.032 0.000 2.044 430 K HA -0.139 4.180 4.320 -0.002 0.000 0.210 430 K C 2.027 178.579 176.600 -0.080 0.000 1.049 430 K CA 1.623 57.898 56.287 -0.020 0.000 0.927 430 K CB 0.039 32.553 32.500 0.023 0.000 0.713 430 K HN 0.307 nan 8.250 nan 0.000 0.443 431 K N -0.154 120.217 120.400 -0.048 0.000 2.404 431 K HA 0.155 4.474 4.320 -0.002 0.000 0.194 431 K C 0.494 177.041 176.600 -0.088 0.000 1.023 431 K CA -0.081 56.173 56.287 -0.054 0.000 1.094 431 K CB 0.302 32.793 32.500 -0.015 0.000 0.841 431 K HN 0.111 nan 8.250 nan 0.000 0.523 432 M N 1.516 121.036 119.600 -0.134 0.000 2.255 432 M HA 0.187 4.666 4.480 -0.002 0.000 0.336 432 M C 0.068 176.229 176.300 -0.232 0.000 1.135 432 M CA -0.386 54.818 55.300 -0.159 0.000 1.145 432 M CB 0.807 33.328 32.600 -0.132 0.000 1.473 432 M HN -0.019 nan 8.290 nan 0.000 0.462 433 L N 2.769 123.840 121.223 -0.254 0.000 2.452 433 L HA 0.171 4.510 4.340 -0.002 0.000 0.267 433 L C 0.121 176.868 176.870 -0.206 0.000 1.188 433 L CA -0.210 54.463 54.840 -0.279 0.000 0.821 433 L CB 0.165 41.907 42.059 -0.529 0.000 1.102 433 L HN 0.471 nan 8.230 nan 0.000 0.470 434 K N 2.666 122.991 120.400 -0.125 0.000 2.221 434 K HA 0.483 4.802 4.320 -0.002 0.000 0.258 434 K C -2.172 174.470 176.600 0.071 0.000 0.944 434 K CA -1.793 54.444 56.287 -0.083 0.000 0.823 434 K CB 0.937 33.372 32.500 -0.108 0.000 1.113 434 K HN 0.365 nan 8.250 nan 0.000 0.431 435 P HA 0.266 nan 4.420 nan 0.000 0.276 435 P C -0.956 176.227 177.300 -0.194 0.000 1.230 435 P CA -0.508 62.531 63.100 -0.102 0.000 0.776 435 P CB 0.829 32.444 31.700 -0.143 0.000 0.888 436 A N 3.104 125.747 122.820 -0.295 0.000 2.301 436 A HA 0.605 4.924 4.320 -0.002 0.000 0.298 436 A C -0.697 176.784 177.584 -0.171 0.000 1.185 436 A CA -0.490 51.462 52.037 -0.142 0.000 0.830 436 A CB -0.076 18.777 19.000 -0.245 0.000 1.112 436 A HN 0.450 nan 8.150 nan 0.000 0.508 437 F N 1.262 121.331 119.950 0.198 0.000 2.480 437 F HA 0.614 5.140 4.527 -0.002 0.000 0.329 437 F C 0.142 176.003 175.800 0.103 0.000 1.091 437 F CA -0.467 57.589 58.000 0.094 0.000 0.972 437 F CB 1.972 41.014 39.000 0.069 0.000 1.150 437 F HN 0.334 nan 8.300 nan 0.000 0.467 438 I N 2.998 123.593 120.570 0.042 0.000 2.406 438 I HA 0.317 4.486 4.170 -0.002 0.000 0.290 438 I C -1.282 174.693 176.117 -0.237 0.000 0.999 438 I CA -0.517 60.743 61.300 -0.067 0.000 1.124 438 I CB 1.474 39.301 38.000 -0.288 0.000 1.289 438 I HN 0.396 nan 8.210 nan 0.000 0.441 439 F N 3.997 123.986 119.950 0.066 0.000 2.325 439 F HA 0.240 4.766 4.527 -0.002 0.000 0.369 439 F C 0.233 176.179 175.800 0.245 0.000 1.095 439 F CA -0.691 57.368 58.000 0.099 0.000 1.082 439 F CB 0.863 39.805 39.000 -0.096 0.000 1.289 439 F HN 0.358 nan 8.300 nan 0.000 0.462 440 D N 2.747 123.334 120.400 0.312 0.000 2.441 440 D HA 0.194 4.833 4.640 -0.002 0.000 0.221 440 D C 1.152 177.600 176.300 0.247 0.000 1.156 440 D CA -0.077 54.071 54.000 0.247 0.000 0.896 440 D CB 1.309 42.197 40.800 0.146 0.000 1.028 440 D HN 0.688 nan 8.370 nan 0.000 0.509 441 G N 3.304 112.197 108.800 0.154 0.000 2.848 441 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.208 441 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.208 441 G C 1.229 176.019 174.900 -0.185 0.000 1.152 441 G CA -0.012 44.890 45.100 -0.331 0.000 0.789 441 G HN 0.315 nan 8.290 nan 0.000 0.531 442 R N -0.613 119.872 120.500 -0.025 0.000 2.531 442 R HA 0.191 4.530 4.340 -0.002 0.000 0.316 442 R C 0.487 176.796 176.300 0.015 0.000 0.955 442 R CA -0.501 55.592 56.100 -0.012 0.000 1.120 442 R CB 0.255 30.574 30.300 0.031 0.000 1.361 442 R HN 0.073 nan 8.270 nan 0.000 0.534 443 R N 0.441 120.965 120.500 0.040 0.000 3.525 443 R HA -0.104 4.235 4.340 -0.002 0.000 0.276 443 R C 1.090 177.413 176.300 0.038 0.000 1.116 443 R CA 1.001 57.128 56.100 0.044 0.000 0.745 443 R CB -2.869 27.442 30.300 0.017 0.000 1.185 443 R HN 0.292 nan 8.270 nan 0.000 0.454 444 V N -3.552 116.405 119.914 0.072 0.000 3.052 444 V HA 0.077 4.196 4.120 -0.002 0.000 0.254 444 V C 1.747 177.884 176.094 0.071 0.000 1.100 444 V CA 1.067 63.416 62.300 0.083 0.000 1.112 444 V CB -0.079 31.835 31.823 0.151 0.000 0.738 444 V HN 0.257 nan 8.190 nan 0.000 0.469 445 L N 0.586 121.849 121.223 0.067 0.000 2.653 445 L HA 0.366 4.705 4.340 -0.002 0.000 0.231 445 L C -0.021 176.818 176.870 -0.052 0.000 1.153 445 L CA -0.316 54.546 54.840 0.036 0.000 0.933 445 L CB -0.514 41.553 42.059 0.013 0.000 1.175 445 L HN 0.206 nan 8.230 nan 0.000 0.473 446 D N 1.467 121.769 120.400 -0.162 0.000 2.493 446 D HA 0.244 4.883 4.640 -0.002 0.000 0.240 446 D C 1.334 177.485 176.300 -0.249 0.000 1.142 446 D CA 1.502 55.262 54.000 -0.400 0.000 0.872 446 D CB 1.016 41.679 40.800 -0.228 0.000 1.173 446 D HN 0.302 nan 8.370 nan 0.000 0.467 447 G N 1.630 110.259 108.800 -0.285 0.000 2.199 447 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.254 447 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.254 447 G C 0.867 175.735 174.900 -0.053 0.000 0.982 447 G CA 0.189 45.217 45.100 -0.119 0.000 0.632 447 G HN 0.493 nan 8.290 nan 0.000 0.529 448 L N 0.066 121.264 121.223 -0.042 0.000 2.640 448 L HA 0.322 4.661 4.340 -0.002 0.000 0.230 448 L C 2.109 179.020 176.870 0.068 0.000 1.123 448 L CA -0.007 54.837 54.840 0.007 0.000 0.900 448 L CB -0.272 41.770 42.059 -0.029 0.000 1.146 448 L HN 0.357 nan 8.230 nan 0.000 0.484 449 H N 0.172 119.203 119.070 -0.065 0.000 2.321 449 H HA -0.134 4.421 4.556 -0.002 0.000 0.300 449 H C 1.745 177.047 175.328 -0.043 0.000 1.087 449 H CA 1.179 57.188 56.048 -0.064 0.000 1.319 449 H CB 0.341 30.076 29.762 -0.045 0.000 1.379 449 H HN 0.363 nan 8.280 nan 0.000 0.501 450 N N 0.883 119.649 118.700 0.109 0.000 2.036 450 N HA -0.182 4.557 4.740 -0.002 0.000 0.195 450 N C 1.995 177.524 175.510 0.031 0.000 1.037 450 N CA 1.741 54.821 53.050 0.051 0.000 0.855 450 N CB -0.277 38.232 38.487 0.036 0.000 1.033 450 N HN 0.675 nan 8.380 nan 0.000 0.423 451 E N 0.908 121.128 120.200 0.034 0.000 2.107 451 E HA -0.077 4.272 4.350 -0.002 0.000 0.191 451 E C 2.158 178.782 176.600 0.040 0.000 0.982 451 E CA 0.496 56.915 56.400 0.032 0.000 0.809 451 E CB -0.464 29.261 29.700 0.041 0.000 0.756 451 E HN 0.276 nan 8.360 nan 0.000 0.459 452 L N 0.729 121.971 121.223 0.030 0.000 2.083 452 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 452 L C 2.817 179.754 176.870 0.112 0.000 1.083 452 L CA 1.549 56.436 54.840 0.079 0.000 0.752 452 L CB -0.427 41.558 42.059 -0.123 0.000 0.899 452 L HN 0.215 nan 8.230 nan 0.000 0.433 453 Q N -0.778 119.035 119.800 0.021 0.000 2.119 453 Q HA -0.161 4.178 4.340 -0.002 0.000 0.201 453 Q C 2.181 178.154 176.000 -0.045 0.000 0.972 453 Q CA 1.934 57.728 55.803 -0.014 0.000 0.847 453 Q CB -0.137 28.585 28.738 -0.025 0.000 0.903 453 Q HN 0.495 nan 8.270 nan 0.000 0.433 454 T N 1.153 115.687 114.554 -0.033 0.000 2.777 454 T HA -0.085 4.264 4.350 -0.002 0.000 0.266 454 T C 1.850 176.486 174.700 -0.108 0.000 1.040 454 T CA 0.871 62.940 62.100 -0.052 0.000 1.141 454 T CB -0.146 68.708 68.868 -0.023 0.000 0.868 454 T HN 0.195 nan 8.240 nan 0.000 0.444 455 I N 0.610 121.109 120.570 -0.118 0.000 2.264 455 I HA -0.046 4.123 4.170 -0.002 0.000 0.248 455 I C 2.110 177.820 176.117 -0.679 0.000 1.111 455 I CA 1.474 62.610 61.300 -0.273 0.000 1.382 455 I CB -0.251 37.681 38.000 -0.113 0.000 1.060 455 I HN 0.525 nan 8.210 nan 0.000 0.418 456 G N -0.631 107.843 108.800 -0.544 0.000 2.234 456 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.153 456 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.153 456 G C 0.103 174.818 174.900 -0.308 0.000 1.013 456 G CA -0.780 44.023 45.100 -0.496 0.000 0.712 456 G HN 0.112 nan 8.290 nan 0.000 0.491 457 F N 1.548 121.398 119.950 -0.166 0.000 2.459 457 F HA 0.538 5.064 4.527 -0.002 0.000 0.346 457 F C 1.090 176.770 175.800 -0.200 0.000 1.128 457 F CA 0.857 58.799 58.000 -0.098 0.000 1.268 457 F CB 0.829 39.772 39.000 -0.094 0.000 1.161 457 F HN 0.292 nan 8.300 nan 0.000 0.583 458 Q N 4.222 123.945 119.800 -0.128 0.000 2.337 458 Q HA 0.467 4.806 4.340 -0.002 0.000 0.255 458 Q C -0.796 175.112 176.000 -0.153 0.000 0.997 458 Q CA -0.594 55.076 55.803 -0.222 0.000 0.925 458 Q CB 0.359 28.782 28.738 -0.525 0.000 1.212 458 Q HN 0.489 nan 8.270 nan 0.000 0.436 459 I N 2.622 123.086 120.570 -0.176 0.000 2.336 459 I HA 0.408 4.577 4.170 -0.002 0.000 0.292 459 I C -0.123 175.814 176.117 -0.299 0.000 0.991 459 I CA -0.770 60.362 61.300 -0.281 0.000 1.227 459 I CB 1.457 39.219 38.000 -0.397 0.000 1.366 459 I HN 0.685 nan 8.210 nan 0.000 0.466 460 E N 4.071 124.059 120.200 -0.354 0.000 2.224 460 E HA 0.520 4.869 4.350 -0.002 0.000 0.265 460 E C -0.745 175.825 176.600 -0.051 0.000 0.878 460 E CA -0.415 55.831 56.400 -0.257 0.000 0.759 460 E CB 3.249 32.637 29.700 -0.521 0.000 1.164 460 E HN 0.508 nan 8.360 nan 0.000 0.414 461 T N 1.765 116.355 114.554 0.059 0.000 2.841 461 T HA 0.541 4.890 4.350 -0.002 0.000 0.296 461 T C -0.559 174.247 174.700 0.176 0.000 1.166 461 T CA -0.570 61.625 62.100 0.159 0.000 1.007 461 T CB 1.036 69.996 68.868 0.154 0.000 1.253 461 T HN 0.323 nan 8.240 nan 0.000 0.511 462 I N 2.291 122.952 120.570 0.153 0.000 2.416 462 I HA 0.407 4.576 4.170 -0.002 0.000 0.288 462 I C 1.391 177.552 176.117 0.074 0.000 1.051 462 I CA 0.815 62.175 61.300 0.100 0.000 1.375 462 I CB 0.993 38.999 38.000 0.010 0.000 1.407 462 I HN 1.040 nan 8.210 nan 0.000 0.516 463 G N 4.691 113.534 108.800 0.071 0.000 2.136 463 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.242 463 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.242 463 G C -0.037 174.901 174.900 0.062 0.000 0.989 463 G CA 0.194 45.329 45.100 0.059 0.000 0.682 463 G HN 0.678 nan 8.290 nan 0.000 0.522 464 K N -0.703 119.742 120.400 0.074 0.000 2.589 464 K HA 0.469 4.788 4.320 -0.002 0.000 0.265 464 K C -1.102 175.538 176.600 0.068 0.000 0.935 464 K CA -0.775 55.556 56.287 0.074 0.000 0.850 464 K CB 1.139 33.697 32.500 0.097 0.000 1.372 464 K HN 0.077 nan 8.250 nan 0.000 0.420 465 K N 1.999 122.431 120.400 0.053 0.000 2.253 465 K HA 0.507 4.826 4.320 -0.002 0.000 0.277 465 K C 0.346 176.965 176.600 0.031 0.000 1.053 465 K CA -0.072 56.235 56.287 0.034 0.000 0.892 465 K CB 0.700 33.218 32.500 0.030 0.000 1.102 465 K HN 0.545 nan 8.250 nan 0.000 0.469 466 V N 0.000 119.912 119.914 -0.004 0.000 2.409 466 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 466 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 466 V CB 0.000 31.695 31.823 -0.214 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556