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 2bvi_1_N DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SA 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.622 176.300 -1.131 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.305 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.555 119.714 119.600 -0.735 0.000 5.905 6 M HA -0.275 4.205 4.480 -0.000 0.000 0.326 6 M C -0.284 175.925 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.296 0.000 0.949 6 M CB -2.939 29.569 32.600 -0.153 0.000 1.421 6 M HN 0.738 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.449 178.760 177.300 0.018 0.000 1.151 7 P CA 2.448 65.516 63.100 -0.052 0.000 0.953 7 P CB -0.478 31.171 31.700 -0.086 0.000 0.789 8 Q N -2.188 117.614 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.538 57.417 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.249 122.558 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.635 179.143 176.519 -0.017 0.000 1.215 9 W CA 1.343 58.693 57.345 0.008 0.000 1.278 9 W CB -1.249 28.221 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.045 114.784 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 10 S C 1.666 176.171 174.600 -0.157 0.000 1.029 10 S CA 1.304 59.546 58.200 0.069 0.000 0.988 10 S CB -1.304 61.946 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.142 122.327 120.300 -0.192 0.000 2.128 11 Y HA -0.071 4.479 4.550 -0.000 0.000 0.284 11 Y C 2.117 177.741 175.900 -0.460 0.000 1.154 11 Y CA 1.438 59.359 58.100 -0.298 0.000 1.149 11 Y CB -0.242 38.133 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.724 118.775 119.600 -0.169 0.000 2.618 12 M HA -0.018 4.462 4.480 -0.000 0.000 0.240 12 M C 0.072 176.286 176.300 -0.145 0.000 1.123 12 M CA 0.890 56.099 55.300 -0.151 0.000 1.060 12 M CB -1.126 31.504 32.600 0.050 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.977 117.056 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.338 176.663 175.328 -0.005 0.000 1.187 13 H CA 0.831 56.848 56.048 -0.052 0.000 1.136 13 H CB -2.257 27.451 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.464 121.064 120.570 0.050 0.000 2.493 14 I HA -0.141 4.029 4.170 -0.000 0.000 0.254 14 I C 1.461 177.541 176.117 -0.063 0.000 1.160 14 I CA 1.518 62.777 61.300 -0.068 0.000 1.445 14 I CB 0.193 38.046 38.000 -0.245 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.477 114.265 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 15 S C -0.123 174.584 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.519 64.843 63.200 0.206 0.000 1.162 15 S HN 0.487 nan 8.310 nan 0.000 0.487 16 G N 0.713 109.616 108.800 0.172 0.000 2.466 16 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 16 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 16 G C -0.959 174.054 174.900 0.188 0.000 1.237 16 G CA -0.169 45.038 45.100 0.178 0.000 0.954 16 G HN 1.048 nan 8.290 nan 0.000 0.580 17 Q N 0.462 120.407 119.800 0.241 0.000 2.382 17 Q HA 0.502 4.842 4.340 -0.000 0.000 0.229 17 Q C -0.599 175.570 176.000 0.282 0.000 1.006 17 Q CA -0.415 55.531 55.803 0.239 0.000 0.916 17 Q CB 0.683 29.567 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.367 120.081 120.400 0.081 0.000 2.283 18 D HA 0.193 4.833 4.640 -0.000 0.000 0.248 18 D C 0.593 176.609 176.300 -0.473 0.000 1.072 18 D CA -0.044 53.910 54.000 -0.076 0.000 0.929 18 D CB 1.394 42.145 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.433 123.819 122.820 -0.723 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.027 179.127 177.584 -0.807 0.000 1.178 19 A CA 2.608 53.897 52.037 -1.245 0.000 0.642 19 A CB -0.770 17.852 19.000 -0.629 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.083 115.356 115.700 -0.436 0.000 2.419 20 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 20 S C 1.462 175.926 174.600 -0.227 0.000 1.016 20 S CA 1.502 59.535 58.200 -0.277 0.000 0.974 20 S CB -0.361 62.737 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.330 120.396 120.200 -0.223 0.000 2.251 21 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 21 E C 1.858 178.434 176.600 -0.039 0.000 0.964 21 E CA 0.694 57.036 56.400 -0.096 0.000 0.868 21 E CB -0.299 29.387 29.700 -0.023 0.000 0.828 21 E HN 0.865 nan 8.360 nan 0.000 0.481 22 Y N 0.885 121.157 120.300 -0.046 0.000 2.365 22 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 22 Y C 0.812 176.675 175.900 -0.062 0.000 1.119 22 Y CA -0.155 57.930 58.100 -0.025 0.000 1.203 22 Y CB -0.510 37.975 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.848 122.965 121.223 -0.177 0.000 2.472 23 L HA 0.174 4.514 4.340 -0.000 0.000 0.260 23 L C 1.008 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.285 54.465 54.840 -0.150 0.000 0.817 23 L CB 0.451 42.256 42.059 -0.424 0.000 1.106 23 L HN 0.344 nan 8.230 nan 0.000 0.479 24 S N 0.801 116.457 115.700 -0.075 0.000 2.585 24 S HA 0.178 4.648 4.470 -0.000 0.000 0.273 24 S C -1.800 172.761 174.600 -0.064 0.000 1.339 24 S CA -1.073 57.100 58.200 -0.046 0.000 1.028 24 S CB 1.031 64.215 63.200 -0.027 0.000 0.906 24 S HN 0.401 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.701 178.991 177.300 -0.017 0.000 1.150 25 P CA 1.582 64.662 63.100 -0.034 0.000 0.832 25 P CB -0.549 31.140 31.700 -0.019 0.000 0.787 26 G N 0.326 109.122 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G C 1.481 176.408 174.900 0.045 0.000 1.158 26 G CA 0.638 45.752 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.795 122.010 121.223 -0.013 0.000 2.046 27 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 27 L C 2.908 179.775 176.870 -0.005 0.000 1.077 27 L CA 1.417 56.237 54.840 -0.033 0.000 0.747 27 L CB -0.587 41.394 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.097 119.776 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.108 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.379 64.631 62.300 -0.079 0.000 1.027 28 V CB -1.409 30.351 31.823 -0.106 0.000 0.646 28 V HN 0.721 nan 8.190 nan 0.000 0.447 29 Q N -0.862 118.948 119.800 0.017 0.000 2.030 29 Q HA -0.318 4.022 4.340 -0.000 0.000 0.204 29 Q C 2.056 178.091 176.000 0.058 0.000 0.986 29 Q CA 2.344 58.163 55.803 0.027 0.000 0.843 29 Q CB -1.181 27.577 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.380 121.311 119.950 -0.032 0.000 2.091 30 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 30 F C 2.589 178.372 175.800 -0.028 0.000 1.103 30 F CA 1.714 59.704 58.000 -0.017 0.000 1.228 30 F CB -0.671 38.327 39.000 -0.002 0.000 0.984 30 F HN 0.350 nan 8.300 nan 0.000 0.477 31 A N 0.588 123.580 122.820 0.287 0.000 1.892 31 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 31 A C 2.424 180.003 177.584 -0.009 0.000 1.188 31 A CA 3.001 55.135 52.037 0.162 0.000 0.631 31 A CB -1.558 17.494 19.000 0.086 0.000 0.822 31 A HN 0.480 nan 8.150 nan 0.000 0.447 32 R N -0.820 119.659 120.500 -0.034 0.000 2.096 32 R HA 0.162 4.502 4.340 -0.000 0.000 0.235 32 R C 2.486 178.719 176.300 -0.112 0.000 1.127 32 R CA 2.220 58.280 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.623 30.300 -0.051 0.000 0.861 32 R HN 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.661 123.386 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 33 A C 2.519 179.906 177.584 -0.328 0.000 1.170 33 A CA 2.042 53.958 52.037 -0.202 0.000 0.645 33 A CB -0.492 18.384 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.338 110.915 114.554 -0.501 0.000 3.067 34 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 34 T C 1.709 176.011 174.700 -0.663 0.000 1.105 34 T CA 1.488 63.080 62.100 -0.846 0.000 1.104 34 T CB -0.350 68.131 68.868 -0.645 0.000 0.925 34 T HN 0.615 nan 8.240 nan 0.000 0.498 35 E N 2.517 122.528 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 -0.000 0.000 0.229 35 E C 2.227 178.730 176.600 -0.162 0.000 1.074 35 E CA 2.912 59.203 56.400 -0.182 0.000 0.930 35 E CB -2.265 27.369 29.700 -0.110 0.000 0.806 35 E HN 0.958 nan 8.360 nan 0.000 0.478 36 T N -2.335 112.140 114.554 -0.131 0.000 3.007 36 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 36 T C 1.813 176.563 174.700 0.082 0.000 1.107 36 T CA 1.625 63.721 62.100 -0.007 0.000 1.118 36 T CB -0.475 68.429 68.868 0.059 0.000 0.889 36 T HN 0.916 nan 8.240 nan 0.000 0.506 37 Y N -1.648 118.683 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 -0.000 0.000 0.257 37 Y C 0.162 176.190 175.900 0.213 0.000 1.087 37 Y CA -2.069 56.088 58.100 0.095 0.000 1.258 37 Y CB 0.645 39.146 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.040 121.897 119.950 -0.155 0.000 3.240 38 F HA 0.464 4.991 4.527 -0.000 0.000 0.370 38 F C -0.856 174.904 175.800 -0.067 0.000 1.271 38 F CA -1.397 56.578 58.000 -0.042 0.000 1.224 38 F CB 0.942 39.974 39.000 0.052 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.864 121.337 115.700 -0.378 0.000 2.525 39 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 39 S C 0.142 174.589 174.600 -0.255 0.000 1.234 39 S CA -0.540 57.513 58.200 -0.244 0.000 1.058 39 S CB 1.259 64.374 63.200 -0.142 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.956 124.160 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 40 L C 2.716 179.682 176.870 0.159 0.000 1.136 40 L CA 0.413 55.314 54.840 0.101 0.000 0.933 40 L CB -1.174 41.084 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.728 120.472 118.700 0.074 0.000 2.094 41 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 41 N C 1.482 177.016 175.510 0.040 0.000 1.023 41 N CA 1.919 55.016 53.050 0.079 0.000 0.857 41 N CB -0.919 37.575 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.501 119.174 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 -0.000 0.000 0.195 42 N C 0.378 175.794 175.510 -0.157 0.000 1.213 42 N CA 0.583 53.586 53.050 -0.080 0.000 0.864 42 N CB -0.009 38.428 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.510 119.717 120.400 -0.289 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.825 175.257 176.600 -0.862 0.000 1.030 43 K CA -0.232 55.707 56.287 -0.580 0.000 1.099 43 K CB 0.214 32.304 32.500 -0.682 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.997 122.943 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 44 F C 0.088 175.892 175.800 0.007 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.362 40.352 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.579 122.182 120.500 0.172 0.000 2.490 45 R HA 0.446 4.786 4.340 -0.000 0.000 0.280 45 R C -0.988 175.386 176.300 0.123 0.000 1.077 45 R CA -0.504 55.663 56.100 0.111 0.000 1.065 45 R CB 0.606 30.956 30.300 0.084 0.000 1.003 45 R HN 0.445 nan 8.270 nan 0.000 0.470 46 N N 3.535 122.280 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.442 173.104 175.510 0.060 0.000 0.998 46 N CA -1.452 51.635 53.050 0.061 0.000 0.915 46 N CB 1.823 40.315 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.130 nan 4.420 nan 0.000 0.272 47 P C -0.429 176.890 177.300 0.032 0.000 1.223 47 P CA -0.106 63.031 63.100 0.061 0.000 0.784 47 P CB 0.505 32.261 31.700 0.094 0.000 0.923 48 T N -1.352 113.205 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 48 T C -0.581 174.108 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.318 69.181 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.835 122.746 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.848 176.940 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.250 62.300 -0.009 0.000 0.850 49 V CB 1.124 32.957 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.108 129.921 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.013 175.567 177.584 -0.007 0.000 1.082 50 A CA -0.933 51.101 52.037 -0.005 0.000 0.789 50 A CB -0.289 18.709 19.000 -0.004 0.000 1.025 50 A HN 0.711 nan 8.150 nan 0.000 0.490 51 P HA 0.234 nan 4.420 nan 0.000 0.275 51 P C 0.567 177.831 177.300 -0.059 0.000 1.228 51 P CA 0.054 63.109 63.100 -0.074 0.000 0.786 51 P CB 0.732 32.367 31.700 -0.107 0.000 0.927 52 T N -2.565 111.940 114.554 -0.081 0.000 3.023 52 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 52 T C 0.364 175.112 174.700 0.081 0.000 1.038 52 T CA 0.065 62.181 62.100 0.028 0.000 0.962 52 T CB -0.656 68.280 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.919 117.182 119.070 0.052 0.000 3.016 53 H HA 0.629 5.185 4.556 -0.000 0.000 0.362 53 H C -0.932 174.431 175.328 0.059 0.000 1.233 53 H CA -0.805 55.273 56.048 0.050 0.000 1.124 53 H CB 0.532 30.319 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.423 120.945 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.229 176.600 176.300 0.118 0.000 1.147 54 D CA 1.133 55.230 54.000 0.161 0.000 0.757 54 D CB -1.414 39.508 40.800 0.202 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.310 118.679 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.096 177.345 176.094 0.259 0.000 1.296 55 V CA 1.218 63.629 62.300 0.184 0.000 1.306 55 V CB 1.041 32.953 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.008 115.647 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.157 174.568 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.813 70.669 68.868 -0.019 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.061 115.618 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 57 T C 0.320 174.977 174.700 -0.072 0.000 1.014 57 T CA -0.690 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.744 69.530 68.868 -0.137 0.000 1.001 57 T HN 0.443 nan 8.240 nan 0.000 0.525 58 D N -0.010 120.329 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.672 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.125 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.160 40.800 -0.050 0.000 0.992 58 D HN 0.363 nan 8.370 nan 0.000 0.504 59 R N 0.327 120.749 120.500 -0.131 0.000 2.637 59 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 59 R C 0.461 176.728 176.300 -0.054 0.000 1.089 59 R CA -0.195 55.841 56.100 -0.107 0.000 1.177 59 R CB 0.471 30.664 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.851 116.537 115.700 -0.024 0.000 2.533 60 S HA 0.063 4.533 4.470 -0.000 0.000 0.282 60 S C -0.638 173.964 174.600 0.004 0.000 1.304 60 S CA 0.029 58.223 58.200 -0.009 0.000 1.063 60 S CB 0.120 63.317 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.223 123.022 119.800 -0.002 0.000 2.518 61 Q HA 0.218 4.558 4.340 -0.000 0.000 0.254 61 Q C -1.346 174.647 176.000 -0.012 0.000 0.962 61 Q CA -0.769 55.032 55.803 -0.003 0.000 0.982 61 Q CB 0.780 29.538 28.738 0.033 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.011 123.491 120.500 -0.032 0.000 2.539 62 R HA 0.250 4.590 4.340 -0.000 0.000 0.275 62 R C 0.728 177.044 176.300 0.027 0.000 1.077 62 R CA 0.120 56.212 56.100 -0.012 0.000 1.097 62 R CB 0.615 30.894 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.437 121.702 121.223 0.070 0.000 2.202 63 L HA 0.061 4.401 4.340 -0.000 0.000 0.205 63 L C 0.675 177.685 176.870 0.233 0.000 1.083 63 L CA 1.037 55.957 54.840 0.133 0.000 0.790 63 L CB 0.043 42.155 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.425 116.090 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.493 174.290 174.700 0.138 0.000 0.993 64 T CA -0.362 61.874 62.100 0.228 0.000 0.967 64 T CB 2.169 71.177 68.868 0.233 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.094 124.392 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 -0.000 0.000 0.271 65 L C 0.134 176.760 176.870 -0.406 0.000 1.008 65 L CA -1.194 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.024 43.936 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.398 121.495 120.500 -0.671 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.980 173.865 176.300 -0.759 0.000 0.969 66 R CA -0.488 55.103 56.100 -0.848 0.000 0.879 66 R CB 1.446 31.119 30.300 -1.044 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.516 123.331 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.157 176.056 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.449 40.504 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.043 124.832 120.570 0.366 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.132 176.117 0.305 0.000 0.984 68 I CA -3.554 57.925 61.300 0.298 0.000 1.250 68 I CB 0.798 38.880 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.111 nan 4.420 nan 0.000 0.271 69 P C 0.849 178.054 177.300 -0.159 0.000 1.216 69 P CA -0.034 62.838 63.100 -0.380 0.000 0.771 69 P CB 1.163 32.551 31.700 -0.520 0.000 0.864 70 V N 1.503 121.316 119.914 -0.169 0.000 2.649 70 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 70 V C 0.549 176.586 176.094 -0.095 0.000 1.054 70 V CA 1.796 64.054 62.300 -0.071 0.000 1.073 70 V CB -0.516 31.293 31.823 -0.023 0.000 0.699 70 V HN 0.660 nan 8.190 nan 0.000 0.463 71 D N -1.252 119.054 120.400 -0.156 0.000 2.977 71 D HA 0.583 5.223 4.640 -0.000 0.000 0.220 71 D C -0.423 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.404 42.136 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.012 122.409 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 -0.000 0.000 0.279 72 R C -0.799 175.335 176.300 -0.277 0.000 0.977 72 R CA -0.827 55.142 56.100 -0.218 0.000 0.906 72 R CB 1.200 31.406 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.815 121.763 120.200 -0.419 0.000 2.502 73 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 73 E C -1.659 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.385 0.000 0.795 73 E CB 1.832 31.380 29.700 -0.253 0.000 1.385 73 E HN 0.628 nan 8.360 nan 0.000 0.400 74 D N 2.334 122.406 120.400 -0.546 0.000 2.352 74 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 74 D C -0.447 175.735 176.300 -0.197 0.000 1.224 74 D CA 0.481 54.228 54.000 -0.421 0.000 0.879 74 D CB 0.929 41.611 40.800 -0.196 0.000 1.057 74 D HN 0.154 nan 8.370 nan 0.000 0.491 75 T N 1.512 115.970 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.419 176.030 174.700 -0.148 0.000 0.995 75 T CA -0.033 61.959 62.100 -0.181 0.000 0.966 75 T CB 1.411 70.116 68.868 -0.271 0.000 1.237 75 T HN 0.302 nan 8.240 nan 0.000 0.591 76 A N 0.351 123.039 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.449 178.997 177.584 -0.060 0.000 1.193 76 A CA 2.162 54.113 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.758 118.544 120.300 0.004 0.000 2.675 77 Y HA 0.535 5.085 4.550 -0.000 0.000 0.248 77 Y C 0.285 176.334 175.900 0.248 0.000 1.161 77 Y CA -0.447 57.705 58.100 0.086 0.000 1.203 77 Y CB -0.472 37.992 38.460 0.007 0.000 1.262 77 Y HN 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.952 114.785 115.700 0.062 0.000 2.656 78 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 78 S C -2.044 172.716 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.287 65.659 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.380 120.822 120.300 0.237 0.000 2.386 79 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 79 Y C -0.808 175.202 175.900 0.184 0.000 1.002 79 Y CA -0.492 57.718 58.100 0.184 0.000 1.068 79 Y CB 1.886 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.967 nan 8.280 nan 0.000 0.443 80 K N 3.945 124.369 120.400 0.040 0.000 2.274 80 K HA 0.892 5.212 4.320 -0.000 0.000 0.262 80 K C -1.623 174.995 176.600 0.030 0.000 0.961 80 K CA -0.561 55.751 56.287 0.041 0.000 0.833 80 K CB 1.190 33.624 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.350 127.240 122.820 0.116 0.000 2.343 81 A HA 0.565 4.885 4.320 -0.000 0.000 0.308 81 A C -1.210 176.246 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.066 0.000 0.751 81 A CB 1.079 20.094 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.288 122.534 120.500 -0.423 0.000 2.494 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.305 82 R C -1.782 174.240 176.300 -0.463 0.000 0.959 82 R CA -0.313 55.620 56.100 -0.279 0.000 0.864 82 R CB 0.810 31.035 30.300 -0.126 0.000 1.159 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.233 120.255 119.950 0.120 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.252 176.113 175.800 0.102 0.000 1.061 83 F CA -0.928 57.149 58.000 0.128 0.000 0.954 83 F CB 2.405 41.503 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.229 117.946 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.714 173.954 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.024 68.922 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.162 125.322 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.110 176.921 176.870 -0.098 0.000 1.124 85 L CA -0.302 54.287 54.840 -0.418 0.000 0.888 85 L CB -0.798 41.137 42.059 -0.207 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.516 128.272 122.820 -0.106 0.000 2.271 86 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 86 A C -0.791 176.979 177.584 0.309 0.000 1.245 86 A CA -0.598 51.547 52.037 0.180 0.000 0.857 86 A CB 1.027 20.152 19.000 0.207 0.000 1.175 86 A HN 0.489 nan 8.150 nan 0.000 0.512 87 V N 3.564 123.664 119.914 0.311 0.000 2.294 87 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 87 V C 1.171 177.373 176.094 0.182 0.000 1.027 87 V CA -0.151 62.355 62.300 0.343 0.000 0.823 87 V CB 0.731 32.796 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.221 112.070 108.800 0.081 0.000 2.664 88 G HA2 0.140 4.100 3.960 -0.000 0.000 0.242 88 G HA3 0.140 4.100 3.960 -0.000 0.000 0.242 88 G C -0.148 174.751 174.900 -0.002 0.000 1.225 88 G CA -0.446 44.658 45.100 0.006 0.000 0.849 88 G HN 0.643 nan 8.290 nan 0.000 0.581 89 D N 0.687 121.067 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 89 D C 0.445 176.657 176.300 -0.146 0.000 1.136 89 D CA 0.493 54.460 54.000 -0.054 0.000 0.879 89 D CB 0.510 41.282 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.470 120.088 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.573 174.841 175.510 -0.160 0.000 1.108 90 N CA 0.776 53.679 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.482 38.487 -0.680 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.461 120.031 120.500 -0.013 0.000 2.740 91 R HA 0.739 5.079 4.340 -0.000 0.000 0.273 91 R C -0.432 175.981 176.300 0.188 0.000 0.998 91 R CA -0.875 55.294 56.100 0.116 0.000 0.900 91 R CB 2.493 32.853 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.464 119.609 119.914 0.265 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.353 174.846 176.094 0.176 0.000 1.090 92 V CA -1.050 61.362 62.300 0.187 0.000 0.930 92 V CB 1.958 33.841 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.588 123.820 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.711 176.042 176.870 -0.195 0.000 0.988 93 L CA 0.053 54.753 54.840 -0.234 0.000 0.824 93 L CB 1.671 43.495 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.495 125.786 120.400 -0.182 0.000 2.380 94 D HA 0.122 4.762 4.640 -0.000 0.000 0.230 94 D C 1.223 177.423 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.027 41.792 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.833 122.314 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 95 M C 1.920 178.117 176.300 -0.172 0.000 1.071 95 M CA 0.932 56.090 55.300 -0.237 0.000 1.082 95 M CB -1.204 31.223 32.600 -0.287 0.000 1.373 95 M HN 0.513 nan 8.290 nan 0.000 0.408 96 A N -0.015 122.736 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 96 A C 2.186 179.775 177.584 0.008 0.000 1.160 96 A CA 1.882 53.883 52.037 -0.060 0.000 0.653 96 A CB -0.732 18.256 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.368 115.331 115.700 -0.002 0.000 2.634 97 S HA 0.156 4.626 4.470 -0.000 0.000 0.221 97 S C 0.655 175.318 174.600 0.105 0.000 0.952 97 S CA 0.412 58.661 58.200 0.081 0.000 0.930 97 S CB -1.007 62.225 63.200 0.054 0.000 0.780 97 S HN 0.641 nan 8.310 nan 0.000 0.498 98 T N -0.308 114.256 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 -0.000 0.000 0.286 98 T C -0.747 173.983 174.700 0.051 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.222 69.948 68.868 -0.237 0.000 1.068 98 T HN 0.701 nan 8.240 nan 0.000 0.497 99 Y N -1.453 118.759 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.229 173.557 175.900 -0.190 0.000 1.173 99 Y CA -2.365 55.642 58.100 -0.155 0.000 1.076 99 Y CB 0.523 39.113 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.965 122.054 119.950 0.231 0.000 2.404 100 F HA 0.341 4.868 4.527 -0.000 0.000 0.358 100 F C 0.118 176.033 175.800 0.192 0.000 1.120 100 F CA -0.479 57.586 58.000 0.108 0.000 1.144 100 F CB 0.918 39.970 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.378 125.013 120.400 0.391 0.000 2.316 101 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 101 D C -0.630 175.807 176.300 0.227 0.000 1.171 101 D CA 0.117 54.344 54.000 0.378 0.000 0.856 101 D CB 0.498 41.610 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.704 124.368 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 102 I C 0.059 176.216 176.117 0.067 0.000 1.020 102 I CA -0.915 60.397 61.300 0.021 0.000 1.088 102 I CB 1.845 39.764 38.000 -0.134 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.709 124.140 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.385 175.650 176.300 -0.442 0.000 0.969 103 R CA -0.796 55.121 56.100 -0.305 0.000 0.887 103 R CB 2.427 32.535 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.653 108.892 108.800 -0.934 0.000 2.561 104 G HA2 0.460 4.420 3.960 -0.000 0.000 0.310 104 G HA3 0.460 4.420 3.960 -0.000 0.000 0.310 104 G C -1.749 172.638 174.900 -0.854 0.000 1.292 104 G CA -0.441 44.174 45.100 -0.808 0.000 0.811 104 G HN 0.296 nan 8.290 nan 0.000 0.482 105 V N 0.154 119.881 119.914 -0.311 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.725 175.531 176.094 0.271 0.000 1.052 105 V CA -0.688 61.606 62.300 -0.010 0.000 0.908 105 V CB 1.579 33.391 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.824 124.239 121.223 0.320 0.000 2.436 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.268 106 L C -1.372 175.550 176.870 0.087 0.000 0.974 106 L CA -0.089 54.867 54.840 0.194 0.000 0.826 106 L CB 2.188 44.316 42.059 0.115 0.000 1.291 106 L HN 0.678 nan 8.230 nan 0.000 0.406 107 D N 2.976 123.394 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.586 176.815 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.510 42.393 40.800 0.138 0.000 1.076 107 D HN 0.624 nan 8.370 nan 0.000 0.533 108 R N 2.158 122.513 120.500 -0.242 0.000 2.328 108 R HA 0.267 4.607 4.340 -0.000 0.000 0.207 108 R C 1.353 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.651 56.571 56.100 -0.300 0.000 1.016 108 R CB -0.191 29.755 30.300 -0.589 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.074 108.781 108.800 -0.155 0.000 2.760 109 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.246 109 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.246 109 G C -2.103 172.722 174.900 -0.125 0.000 1.359 109 G CA -0.447 44.587 45.100 -0.110 0.000 0.861 109 G HN 0.030 nan 8.290 nan 0.000 0.541 110 P HA 0.027 nan 4.420 nan 0.000 0.231 110 P C 1.731 178.881 177.300 -0.249 0.000 1.168 110 P CA 2.238 65.254 63.100 -0.140 0.000 0.779 110 P CB -0.066 31.578 31.700 -0.094 0.000 0.844 111 T N -4.261 110.106 114.554 -0.313 0.000 3.148 111 T HA 0.019 4.369 4.350 -0.000 0.000 0.253 111 T C 0.302 174.646 174.700 -0.595 0.000 1.134 111 T CA -0.478 61.219 62.100 -0.672 0.000 1.051 111 T CB -1.124 67.342 68.868 -0.670 0.000 0.959 111 T HN -0.121 nan 8.240 nan 0.000 0.525 112 F N 2.586 122.269 119.950 -0.444 0.000 2.472 112 F HA 0.499 5.026 4.527 -0.000 0.000 0.364 112 F C 0.243 175.808 175.800 -0.393 0.000 1.090 112 F CA -1.082 56.700 58.000 -0.364 0.000 1.188 112 F CB 0.573 39.414 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.055 128.807 120.400 -1.080 0.000 2.803 113 K HA 0.311 4.631 4.320 -0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.274 0.000 1.084 113 K CA -1.745 53.850 56.287 -1.153 0.000 1.063 113 K CB 1.316 33.318 32.500 -0.830 0.000 1.254 113 K HN 0.267 nan 8.250 nan 0.000 0.551 114 P HA -0.013 nan 4.420 nan 0.000 0.286 114 P C -1.298 175.760 177.300 -0.404 0.000 1.577 114 P CA 0.388 62.950 63.100 -0.896 0.000 0.805 114 P CB -0.803 30.740 31.700 -0.263 0.000 1.706 115 Y N -5.476 114.495 120.300 -0.548 0.000 2.810 115 Y HA 0.563 5.113 4.550 -0.000 0.000 0.355 115 Y C -1.060 174.712 175.900 -0.214 0.000 1.211 115 Y CA -1.376 56.584 58.100 -0.234 0.000 1.112 115 Y CB -0.143 38.234 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.898 116.676 115.700 0.130 0.000 2.608 116 S HA 0.788 5.258 4.470 -0.000 0.000 0.291 116 S C 0.331 175.044 174.600 0.189 0.000 1.146 116 S CA 0.116 58.339 58.200 0.038 0.000 1.043 116 S CB 1.034 64.235 63.200 0.001 0.000 1.037 116 S HN 1.827 nan 8.310 nan 0.000 0.520 117 G N 1.942 110.816 108.800 0.123 0.000 2.632 117 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G C -0.450 174.557 174.900 0.177 0.000 1.341 117 G CA -0.291 44.911 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.837 113.747 114.554 0.049 0.000 2.940 118 T HA 0.771 5.121 4.350 -0.000 0.000 0.288 118 T C 1.088 175.653 174.700 -0.224 0.000 1.045 118 T CA 0.450 62.497 62.100 -0.089 0.000 1.018 118 T CB 1.939 70.557 68.868 -0.417 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.219 122.346 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.508 176.563 177.584 -0.854 0.000 1.214 119 A CA 0.125 51.711 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.279 19.000 -1.053 0.000 0.942 119 A HN 0.725 nan 8.150 nan 0.000 0.507 120 Y N 0.329 120.546 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.064 175.874 175.900 -0.150 0.000 0.960 120 Y CA -1.806 56.238 58.100 -0.093 0.000 1.130 120 Y CB 0.721 39.168 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.956 119.704 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.907 176.453 175.510 0.060 0.000 1.024 121 N CA 0.800 53.894 53.050 0.074 0.000 0.726 121 N CB -0.711 37.845 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.243 122.589 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 122 A C 2.178 179.915 177.584 0.254 0.000 1.164 122 A CA 1.048 53.157 52.037 0.121 0.000 0.644 122 A CB -0.092 18.937 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.788 120.534 121.223 0.164 0.000 2.492 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 123 L C 1.413 178.371 176.870 0.147 0.000 1.132 123 L CA 0.030 54.952 54.840 0.138 0.000 0.850 123 L CB -0.465 41.649 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.150 124.090 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.126 175.542 177.584 0.141 0.000 1.089 124 A CA -1.147 50.995 52.037 0.176 0.000 0.779 124 A CB -0.461 18.656 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.045 nan 4.420 nan 0.000 0.265 125 P C 0.265 177.540 177.300 -0.042 0.000 1.193 125 P CA 0.105 63.203 63.100 -0.003 0.000 0.765 125 P CB 0.403 32.109 31.700 0.010 0.000 0.823 126 K N 1.797 122.086 120.400 -0.185 0.000 2.442 126 K HA -0.091 4.229 4.320 -0.000 0.000 0.200 126 K C 1.704 178.247 176.600 -0.094 0.000 1.045 126 K CA 1.555 57.686 56.287 -0.261 0.000 0.937 126 K CB -0.415 31.830 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.387 109.157 108.800 -0.050 0.000 2.944 127 G HA2 0.222 4.182 3.960 -0.000 0.000 0.223 127 G HA3 0.222 4.182 3.960 -0.000 0.000 0.223 127 G C 0.197 175.100 174.900 0.005 0.000 1.071 127 G CA -0.021 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.518 124.356 122.820 0.030 0.000 2.511 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 128 A C -2.210 175.422 177.584 0.080 0.000 1.069 128 A CA -0.430 51.646 52.037 0.066 0.000 0.763 128 A CB 0.329 19.384 19.000 0.090 0.000 1.001 128 A HN 0.209 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.800 176.592 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.094 0.000 0.889 129 P CB 0.973 32.695 31.700 0.037 0.000 1.190 130 N N 1.007 119.784 118.700 0.129 0.000 2.503 130 N HA 0.210 4.950 4.740 -0.000 0.000 0.267 130 N C -2.207 173.407 175.510 0.174 0.000 1.214 130 N CA -1.189 51.938 53.050 0.129 0.000 0.959 130 N CB -0.310 38.233 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.038 nan 4.420 nan 0.000 0.261 131 P C -0.178 177.228 177.300 0.176 0.000 1.203 131 P CA -0.114 63.081 63.100 0.158 0.000 0.767 131 P CB -0.039 31.699 31.700 0.064 0.000 0.785 132 C N 1.964 121.425 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.539 174.658 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.645 29.535 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.705 119.701 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 133 E C -1.705 175.151 176.600 0.427 0.000 0.895 133 E CA -0.166 56.418 56.400 0.306 0.000 0.753 133 E CB 2.313 32.100 29.700 0.145 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.921 122.287 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 -0.000 0.000 0.355 134 W C -1.339 175.249 176.519 0.116 0.000 1.233 134 W CA -0.640 56.753 57.345 0.079 0.000 1.176 134 W CB 0.488 29.966 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.473 119.170 119.070 -0.623 0.000 2.496 166 H HA 0.852 5.408 4.556 -0.000 0.000 0.342 166 H C -0.171 174.784 175.328 -0.622 0.000 1.170 166 H CA -0.755 54.826 56.048 -0.779 0.000 1.274 166 H CB 1.177 30.112 29.762 -1.378 0.000 1.538 166 H HN 0.359 nan 8.280 nan 0.000 0.542 167 V N 2.062 121.829 119.914 -0.244 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.412 174.758 176.094 0.127 0.000 1.073 167 V CA -0.755 61.513 62.300 -0.054 0.000 0.921 167 V CB 1.985 33.733 31.823 -0.124 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.053 124.072 119.950 0.115 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.146 175.992 175.800 0.077 0.000 1.168 168 F CA 0.076 58.169 58.000 0.155 0.000 1.045 168 F CB 1.378 40.570 39.000 0.319 0.000 1.311 168 F HN 0.626 nan 8.300 nan 0.000 0.477 169 G N 3.748 112.294 108.800 -0.423 0.000 2.815 169 G HA2 0.530 4.490 3.960 -0.000 0.000 0.305 169 G HA3 0.530 4.490 3.960 -0.000 0.000 0.305 169 G C -2.108 172.586 174.900 -0.342 0.000 1.277 169 G CA -0.719 44.205 45.100 -0.293 0.000 0.795 169 G HN 0.556 nan 8.290 nan 0.000 0.528 170 Q N -1.294 118.396 119.800 -0.184 0.000 2.340 170 Q HA 0.606 4.946 4.340 -0.000 0.000 0.276 170 Q C -1.677 174.284 176.000 -0.064 0.000 1.048 170 Q CA -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.253 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.053 nan 8.270 nan 0.000 0.409 171 A N 4.116 126.909 122.820 -0.044 0.000 2.586 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.320 171 A C -2.357 175.245 177.584 0.030 0.000 1.281 171 A CA -1.141 50.902 52.037 0.011 0.000 0.775 171 A CB 0.739 19.744 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.033 nan 4.420 nan 0.000 0.245 172 P C -0.039 177.301 177.300 0.067 0.000 1.199 172 P CA 0.421 63.550 63.100 0.049 0.000 0.807 172 P CB 0.048 31.780 31.700 0.053 0.000 1.002 173 Y N 1.691 121.995 120.300 0.007 0.000 2.359 173 Y HA 0.375 4.925 4.550 -0.000 0.000 0.334 173 Y C 0.331 176.245 175.900 0.025 0.000 1.058 173 Y CA -0.560 57.546 58.100 0.010 0.000 1.244 173 Y CB 0.664 39.125 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.430 120.778 115.700 -0.586 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.119 174.472 174.600 -0.411 0.000 1.079 174 S CA -0.178 57.828 58.200 -0.322 0.000 1.104 174 S CB -0.295 62.774 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.479 112.334 108.800 0.093 0.000 2.613 175 G HA2 0.521 4.481 3.960 -0.000 0.000 0.303 175 G HA3 0.521 4.481 3.960 -0.000 0.000 0.303 175 G C 0.674 175.663 174.900 0.149 0.000 1.312 175 G CA -0.774 44.493 45.100 0.277 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.297 120.918 120.570 0.085 0.000 2.339 176 I HA 0.162 4.332 4.170 -0.000 0.000 0.245 176 I C 1.573 177.506 176.117 -0.307 0.000 1.096 176 I CA 1.532 62.814 61.300 -0.030 0.000 1.408 176 I CB -0.153 37.834 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.170 118.665 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.294 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.763 38.978 38.487 -0.455 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.655 122.241 120.570 0.028 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.131 177.327 176.117 0.132 0.000 1.007 178 I CA -0.334 61.082 61.300 0.194 0.000 1.167 178 I CB 1.149 39.349 38.000 0.335 0.000 1.320 178 I HN 0.989 nan 8.210 nan 0.000 0.458 179 T N 2.858 117.480 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.157 175.834 174.700 -0.039 0.000 0.986 179 T CA -0.040 62.071 62.100 0.017 0.000 0.989 179 T CB 0.472 69.344 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.107 120.432 120.400 -0.124 0.000 2.459 180 K HA 0.166 4.486 4.320 -0.000 0.000 0.193 180 K C 1.503 178.106 176.600 0.004 0.000 1.030 180 K CA 1.271 57.427 56.287 -0.220 0.000 1.026 180 K CB -0.395 31.978 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.789 119.451 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 181 E C 0.774 177.476 176.600 0.170 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.279 30.012 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.772 110.736 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G C -0.913 174.132 174.900 0.241 0.000 1.205 182 G CA -0.479 44.779 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.381 122.088 120.570 0.228 0.000 2.359 183 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 183 I C 0.635 176.806 176.117 0.090 0.000 0.987 183 I CA -0.611 60.791 61.300 0.169 0.000 1.225 183 I CB 1.360 39.478 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.282 127.126 119.800 0.074 0.000 2.314 184 Q HA 0.256 4.596 4.340 -0.000 0.000 0.258 184 Q C 0.162 176.204 176.000 0.070 0.000 0.954 184 Q CA -0.097 55.731 55.803 0.042 0.000 0.890 184 Q CB 0.943 29.687 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.179 120.775 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.283 176.442 176.117 0.069 0.000 1.422 185 I CA -0.365 60.987 61.300 0.087 0.000 1.150 185 I CB 0.886 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.114 120.182 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 -0.000 0.000 0.324 194 Y C 1.021 176.884 175.900 -0.063 0.000 1.291 194 Y CA -1.316 56.778 58.100 -0.010 0.000 1.348 194 Y CB 0.497 38.970 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.490 124.247 122.820 -0.105 0.000 2.371 195 A HA 0.412 4.732 4.320 -0.000 0.000 0.257 195 A C 0.040 177.467 177.584 -0.261 0.000 1.089 195 A CA 0.052 51.933 52.037 -0.259 0.000 0.794 195 A CB -0.033 18.720 19.000 -0.412 0.000 1.029 195 A HN 0.890 nan 8.150 nan 0.000 0.488 196 D N 2.438 122.599 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 196 D C 1.512 177.563 176.300 -0.414 0.000 1.229 196 D CA 0.555 54.360 54.000 -0.326 0.000 0.895 196 D CB 0.855 41.502 40.800 -0.255 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.375 122.645 120.400 -0.217 0.000 2.173 197 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 197 K C 1.856 178.383 176.600 -0.121 0.000 1.046 197 K CA 2.368 58.560 56.287 -0.157 0.000 0.929 197 K CB -1.668 30.897 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.080 112.455 114.554 -0.032 0.000 2.849 198 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 198 T C 1.611 176.390 174.700 0.132 0.000 1.066 198 T CA 1.602 63.746 62.100 0.074 0.000 1.130 198 T CB -0.422 68.532 68.868 0.145 0.000 0.864 198 T HN 1.038 nan 8.240 nan 0.000 0.481 199 F N -0.615 119.262 119.950 -0.120 0.000 2.964 199 F HA 0.514 5.041 4.527 -0.000 0.000 0.371 199 F C 0.074 175.759 175.800 -0.191 0.000 1.026 199 F CA -1.168 56.757 58.000 -0.125 0.000 1.106 199 F CB 0.274 39.224 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.899 123.149 119.800 -0.916 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.637 172.814 176.000 -0.916 0.000 0.936 200 Q CA -2.239 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.823 29.967 28.738 -0.989 0.000 1.263 200 Q HN -0.002 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.457 62.343 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.201 31.700 -0.421 0.000 1.063 202 E N 1.694 121.823 120.200 -0.118 0.000 2.167 202 E HA 0.149 4.499 4.350 -0.000 0.000 0.284 202 E C -1.603 175.016 176.600 0.031 0.000 1.016 202 E CA -1.764 54.639 56.400 0.005 0.000 0.817 202 E CB 0.428 30.175 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.257 nan 4.420 nan 0.000 0.218 203 P C 0.864 178.199 177.300 0.059 0.000 1.146 203 P CA 1.435 64.563 63.100 0.046 0.000 0.813 203 P CB 0.174 31.899 31.700 0.043 0.000 0.778 204 Q N -0.773 119.065 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.955 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.634 56.476 55.803 0.065 0.000 0.865 204 Q CB -0.503 28.273 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.386 122.008 120.570 0.087 0.000 2.395 205 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 205 I C 0.431 176.609 176.117 0.102 0.000 1.023 205 I CA -0.246 61.118 61.300 0.106 0.000 1.350 205 I CB 0.999 39.096 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.428 112.262 108.800 0.057 0.000 2.827 206 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 206 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 206 G C -0.897 173.984 174.900 -0.030 0.000 1.362 206 G CA -0.309 44.802 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.101 119.067 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.302 177.862 176.600 -0.067 0.000 1.047 207 E CA 0.436 56.785 56.400 -0.086 0.000 0.874 207 E CB 0.875 30.509 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.393 116.045 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 208 S C 1.690 176.237 174.600 -0.088 0.000 1.027 208 S CA 1.453 59.617 58.200 -0.060 0.000 0.965 208 S CB -0.367 62.805 63.200 -0.048 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.526 120.201 119.800 -0.209 0.000 2.471 209 Q HA 0.438 4.778 4.340 -0.000 0.000 0.223 209 Q C 0.729 176.567 176.000 -0.271 0.000 1.045 209 Q CA 0.249 55.812 55.803 -0.400 0.000 0.956 209 Q CB -0.570 27.626 28.738 -0.904 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.675 120.427 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.136 176.613 176.519 -0.071 0.000 1.188 210 W CA 0.224 57.489 57.345 -0.134 0.000 1.651 210 W CB 0.063 29.509 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.856 120.784 120.300 -0.619 0.000 2.565 211 Y HA 0.696 5.246 4.550 -0.000 0.000 0.325 211 Y C 0.327 176.073 175.900 -0.257 0.000 1.221 211 Y CA -1.834 55.923 58.100 -0.573 0.000 1.316 211 Y CB -0.666 37.170 38.460 -1.040 0.000 1.404 211 Y HN -0.065 nan 8.280 nan 0.000 0.527 212 E N -0.780 119.522 120.200 0.171 0.000 2.217 212 E HA 0.471 4.821 4.350 -0.000 0.000 0.279 212 E C 0.450 177.149 176.600 0.165 0.000 1.068 212 E CA 0.263 56.727 56.400 0.107 0.000 0.882 212 E CB -0.205 29.527 29.700 0.054 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.055 114.653 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.249 213 T C 1.034 175.745 174.700 0.019 0.000 1.039 213 T CA 1.848 63.988 62.100 0.067 0.000 1.036 213 T CB -0.141 68.731 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.018 119.183 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 -0.000 0.000 0.173 214 E C 0.033 176.618 176.600 -0.024 0.000 1.365 214 E CA 0.479 56.871 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.045 122.595 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 215 I C 1.109 177.182 176.117 -0.073 0.000 1.046 215 I CA 0.104 61.380 61.300 -0.041 0.000 1.324 215 I CB 0.793 38.771 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.226 120.851 118.700 -0.124 0.000 2.432 216 N HA 0.023 4.763 4.740 -0.000 0.000 0.174 216 N C -0.184 175.004 175.510 -0.536 0.000 1.037 216 N CA 0.792 53.645 53.050 -0.328 0.000 0.892 216 N CB 0.348 38.599 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.261 119.359 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.525 174.862 175.328 0.098 0.000 1.188 217 H CA -0.417 55.678 56.048 0.080 0.000 1.322 217 H CB 0.992 30.808 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.242 125.151 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.180 0.000 1.158 218 A CA -0.398 51.725 52.037 0.145 0.000 0.821 218 A CB 0.757 19.797 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.684 123.641 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 -0.000 0.000 0.304 219 A C 0.038 177.724 177.584 0.169 0.000 1.064 219 A CA -0.003 52.164 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.243 0.000 1.284 219 A HN 2.086 nan 8.150 nan 0.000 0.415 220 G N -0.160 108.732 108.800 0.152 0.000 2.788 220 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 220 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 220 G C -1.404 173.579 174.900 0.139 0.000 1.392 220 G CA -0.746 44.415 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.214 119.334 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 -0.000 0.000 0.292 221 R C -1.431 174.905 176.300 0.060 0.000 0.969 221 R CA -0.537 55.611 56.100 0.081 0.000 0.887 221 R CB 2.109 32.434 30.300 0.042 0.000 1.180 221 R HN 0.697 nan 8.270 nan 0.000 0.450 222 V N 5.088 125.042 119.914 0.067 0.000 3.147 222 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 222 V C -1.576 174.558 176.094 0.067 0.000 1.209 222 V CA -0.915 61.421 62.300 0.060 0.000 1.023 222 V CB 2.297 34.149 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.527 125.796 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 223 L C 0.299 177.222 176.870 0.088 0.000 1.049 223 L CA -0.520 54.364 54.840 0.074 0.000 0.804 223 L CB 1.261 43.364 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.150 122.594 120.400 0.073 0.000 2.219 224 K HA 0.050 4.370 4.320 -0.000 0.000 0.258 224 K C 0.974 177.629 176.600 0.092 0.000 1.008 224 K CA -0.412 55.920 56.287 0.075 0.000 0.928 224 K CB 0.682 33.215 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.148 120.609 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 -0.000 0.000 0.194 225 K C 0.684 177.339 176.600 0.092 0.000 1.037 225 K CA 1.515 57.877 56.287 0.124 0.000 0.964 225 K CB -0.243 32.334 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.122 112.473 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.574 175.301 174.700 0.046 0.000 1.100 226 T CA -0.101 62.031 62.100 0.052 0.000 1.038 226 T CB 0.144 69.037 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.958 119.543 114.554 0.051 0.000 2.743 227 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 227 T C -2.672 172.056 174.700 0.046 0.000 0.972 227 T CA -1.413 60.711 62.100 0.041 0.000 0.967 227 T CB 1.259 70.149 68.868 0.037 0.000 0.926 227 T HN 0.122 nan 8.240 nan 0.000 0.459 228 P HA 0.025 nan 4.420 nan 0.000 0.264 228 P C -0.280 177.037 177.300 0.028 0.000 1.179 228 P CA 0.097 63.214 63.100 0.028 0.000 0.763 228 P CB 0.371 32.081 31.700 0.018 0.000 0.806 229 M N 2.810 122.422 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.566 176.869 176.300 0.005 0.000 1.216 229 M CA 0.471 55.779 55.300 0.013 0.000 1.134 229 M CB 0.429 33.017 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.938 123.349 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 -0.000 0.000 0.260 230 K C -2.821 173.806 176.600 0.044 0.000 0.937 230 K CA -1.877 54.426 56.287 0.026 0.000 0.826 230 K CB 1.665 34.184 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.064 nan 4.420 nan 0.000 0.269 231 P C 1.004 178.372 177.300 0.114 0.000 1.209 231 P CA -0.284 62.865 63.100 0.082 0.000 0.776 231 P CB 0.588 32.344 31.700 0.093 0.000 0.876 232 C N 3.113 122.489 119.300 0.127 0.000 2.398 232 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 232 C C 1.449 176.540 174.990 0.167 0.000 1.222 232 C CA 0.524 59.623 59.018 0.135 0.000 1.746 232 C CB -1.657 26.165 27.740 0.136 0.000 2.039 232 C HN 0.545 nan 8.230 nan 0.000 0.470 233 Y N 1.080 121.421 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 -0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.095 0.000 1.212 233 Y CA 1.155 59.301 58.100 0.076 0.000 1.535 233 Y CB -0.079 38.409 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.073 111.749 108.800 -0.206 0.000 2.176 234 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 234 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 234 G C 0.166 175.109 174.900 0.071 0.000 0.979 234 G CA 0.146 45.207 45.100 -0.064 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.033 115.774 115.700 0.067 0.000 2.528 235 S HA 0.586 5.056 4.470 -0.000 0.000 0.277 235 S C -0.498 174.089 174.600 -0.022 0.000 1.297 235 S CA 0.044 58.263 58.200 0.032 0.000 1.052 235 S CB 1.122 64.348 63.200 0.043 0.000 0.917 235 S HN 0.801 nan 8.310 nan 0.000 0.492 236 Y N 1.229 121.356 120.300 -0.288 0.000 2.544 236 Y HA 0.598 5.148 4.550 -0.000 0.000 0.342 236 Y C -1.247 174.502 175.900 -0.252 0.000 1.062 236 Y CA -0.802 57.024 58.100 -0.457 0.000 1.023 236 Y CB 1.275 39.050 38.460 -1.142 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.851 127.995 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.284 237 A C -1.450 175.591 177.584 -0.905 0.000 1.049 237 A CA -0.969 50.591 52.037 -0.796 0.000 0.760 237 A CB 0.633 19.424 19.000 -0.348 0.000 1.274 237 A HN 0.810 nan 8.150 nan 0.000 0.412 238 K N 3.186 123.158 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.611 4.320 -0.000 0.000 0.279 238 K C -2.393 174.096 176.600 -0.186 0.000 0.993 238 K CA -0.548 55.543 56.287 -0.327 0.000 1.030 238 K CB 0.127 32.591 32.500 -0.060 0.000 0.891 238 K HN 0.308 nan 8.250 nan 0.000 0.488 239 P HA -0.018 nan 4.420 nan 0.000 0.271 239 P C 0.011 177.289 177.300 -0.037 0.000 1.216 239 P CA -0.291 62.773 63.100 -0.060 0.000 0.776 239 P CB 1.095 32.779 31.700 -0.028 0.000 0.881 240 T N -1.901 112.636 114.554 -0.028 0.000 3.044 240 T HA 0.200 4.550 4.350 -0.000 0.000 0.260 240 T C 0.215 174.909 174.700 -0.011 0.000 1.019 240 T CA -0.274 61.817 62.100 -0.015 0.000 0.921 240 T CB -0.740 68.122 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.511 117.177 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.585 176.053 175.510 -0.070 0.000 1.237 241 N CA -0.303 52.726 53.050 -0.035 0.000 0.838 241 N CB 0.694 39.168 38.487 -0.022 0.000 1.593 241 N HN -0.077 nan 8.380 nan 0.000 0.485 242 E N 0.174 120.323 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 242 E C 0.418 176.912 176.600 -0.178 0.000 1.025 242 E CA 1.594 57.930 56.400 -0.106 0.000 0.856 242 E CB -0.864 28.779 29.700 -0.096 0.000 0.771 242 E HN 0.611 nan 8.360 nan 0.000 0.526 243 N N -0.975 117.565 118.700 -0.267 0.000 2.270 243 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 243 N C 1.345 176.710 175.510 -0.242 0.000 1.117 243 N CA 0.777 53.552 53.050 -0.459 0.000 0.845 243 N CB 1.246 38.993 38.487 -1.233 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.102 108.837 108.800 -0.107 0.000 2.217 244 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G C 0.536 175.439 174.900 0.005 0.000 0.990 244 G CA -0.102 44.980 45.100 -0.032 0.000 0.627 244 G HN 0.552 nan 8.290 nan 0.000 0.522 245 G N -0.184 108.636 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 -0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 -0.000 0.000 0.239 245 G C 0.568 175.471 174.900 0.004 0.000 1.295 245 G CA 0.561 45.696 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.207 121.000 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.290 177.271 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.618 55.803 -0.048 0.000 0.990 246 Q CB 1.165 29.845 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.158 109.956 108.800 -0.003 0.000 2.340 247 G HA2 0.217 4.177 3.960 -0.000 0.000 0.245 247 G HA3 0.217 4.177 3.960 -0.000 0.000 0.245 247 G C -0.185 174.717 174.900 0.003 0.000 1.294 247 G CA -0.395 44.710 45.100 0.007 0.000 0.896 247 G HN 0.200 nan 8.290 nan 0.000 0.522 248 I N 1.178 121.749 120.570 0.002 0.000 2.710 248 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 248 I C 0.587 176.709 176.117 0.009 0.000 1.181 248 I CA 0.390 61.691 61.300 0.002 0.000 1.430 248 I CB 0.664 38.666 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.837 128.064 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.125 176.752 176.870 0.011 0.000 1.035 249 L CA -0.636 54.210 54.840 0.011 0.000 0.806 249 L CB 1.419 43.484 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.165 115.880 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 259 S C 0.692 175.309 174.600 0.030 0.000 1.320 259 S CA 0.246 58.464 58.200 0.030 0.000 1.058 259 S CB 0.849 64.071 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.931 122.749 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.305 175.716 176.000 0.035 0.000 0.832 260 Q CA -0.214 55.606 55.803 0.029 0.000 1.010 260 Q CB 0.727 29.479 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.751 121.693 119.914 0.047 0.000 2.763 261 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 261 V C 0.471 176.594 176.094 0.048 0.000 1.059 261 V CA 0.653 62.991 62.300 0.063 0.000 1.138 261 V CB 0.616 32.500 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.937 125.151 120.200 0.023 0.000 2.281 262 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 262 E C -0.602 175.932 176.600 -0.110 0.000 0.893 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.798 262 E CB 1.484 31.179 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.956 120.427 119.600 -0.214 0.000 2.243 263 M HA 0.440 4.920 4.480 -0.000 0.000 0.341 263 M C 0.057 176.122 176.300 -0.392 0.000 1.130 263 M CA -0.096 54.902 55.300 -0.504 0.000 1.162 263 M CB 0.386 32.479 32.600 -0.846 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.183 121.683 119.800 -0.501 0.000 2.309 264 Q HA 0.537 4.877 4.340 -0.000 0.000 0.270 264 Q C -1.644 174.013 176.000 -0.573 0.000 1.023 264 Q CA -0.392 55.192 55.803 -0.365 0.000 0.758 264 Q CB 1.823 30.497 28.738 -0.107 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.900 121.568 119.950 -0.469 0.000 2.379 265 F HA 0.594 5.121 4.527 -0.000 0.000 0.332 265 F C -0.168 175.213 175.800 -0.699 0.000 1.096 265 F CA -0.469 57.311 58.000 -0.366 0.000 1.105 265 F CB 0.691 39.568 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.070 119.946 119.950 0.111 0.000 2.613 266 F HA 0.646 5.173 4.527 -0.000 0.000 0.310 266 F C -0.129 175.697 175.800 0.043 0.000 1.085 266 F CA -0.718 57.309 58.000 0.044 0.000 0.945 266 F CB 2.201 41.196 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.557 115.271 115.700 0.214 0.000 2.651 267 S HA 0.582 5.052 4.470 -0.000 0.000 0.279 267 S C 0.099 174.755 174.600 0.092 0.000 1.148 267 S CA -0.490 57.779 58.200 0.115 0.000 0.837 267 S CB 1.859 65.098 63.200 0.066 0.000 1.138 267 S HN 0.763 nan 8.310 nan 0.000 0.478 268 T N 0.366 114.950 114.554 0.051 0.000 4.971 268 T HA 0.467 4.817 4.350 -0.000 0.000 0.217 268 T C 0.920 175.638 174.700 0.029 0.000 0.770 268 T CA 0.886 63.006 62.100 0.034 0.000 2.187 268 T CB -1.184 67.694 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.145 121.075 121.223 -0.005 0.000 2.999 279 L HA 0.490 4.830 4.340 -0.000 0.000 0.304 279 L C 1.171 178.039 176.870 -0.005 0.000 1.104 279 L CA 1.534 56.369 54.840 -0.008 0.000 0.911 279 L CB -1.398 40.649 42.059 -0.020 0.000 1.341 279 L HN 2.408 nan 8.230 nan 0.000 0.487 280 T N 3.832 118.392 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.083 172.649 174.700 0.054 0.000 0.960 280 T CA -0.789 61.328 62.100 0.028 0.000 1.041 280 T CB 0.783 69.677 68.868 0.043 0.000 1.065 280 T HN 0.743 nan 8.240 nan 0.000 0.459 281 P HA 0.331 nan 4.420 nan 0.000 0.261 281 P C 0.853 178.239 177.300 0.143 0.000 1.183 281 P CA 0.135 63.322 63.100 0.144 0.000 0.761 281 P CB 0.667 32.519 31.700 0.255 0.000 0.785 282 K N 1.982 122.446 120.400 0.108 0.000 2.323 282 K HA 0.252 4.572 4.320 -0.000 0.000 0.197 282 K C 0.764 177.410 176.600 0.077 0.000 1.043 282 K CA 0.774 57.083 56.287 0.037 0.000 0.997 282 K CB 0.183 32.682 32.500 -0.001 0.000 0.807 282 K HN 0.398 nan 8.250 nan 0.000 0.497 283 V N -0.060 119.939 119.914 0.141 0.000 2.925 283 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 283 V C -1.385 174.810 176.094 0.168 0.000 1.104 283 V CA -0.718 61.664 62.300 0.137 0.000 0.954 283 V CB 1.972 33.841 31.823 0.077 0.000 1.022 283 V HN 0.296 nan 8.190 nan 0.000 0.427 284 V N 5.746 125.693 119.914 0.054 0.000 2.686 284 V HA 0.717 4.837 4.120 -0.000 0.000 0.306 284 V C -1.605 174.388 176.094 -0.167 0.000 1.065 284 V CA -0.320 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.887 33.420 31.823 -0.484 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.151 127.239 121.223 -0.225 0.000 2.346 285 L HA 0.585 4.925 4.340 -0.000 0.000 0.274 285 L C -1.385 175.315 176.870 -0.284 0.000 1.007 285 L CA -0.751 54.026 54.840 -0.105 0.000 0.818 285 L CB 2.272 44.339 42.059 0.013 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.010 121.260 120.300 -0.083 0.000 2.676 286 Y HA 0.194 4.744 4.550 -0.000 0.000 0.338 286 Y C 0.859 176.736 175.900 -0.039 0.000 1.057 286 Y CA -0.650 57.402 58.100 -0.080 0.000 1.314 286 Y CB 0.785 39.190 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.156 118.875 115.700 0.033 0.000 2.548 287 S HA 0.535 5.005 4.470 -0.000 0.000 0.277 287 S C -0.291 174.342 174.600 0.054 0.000 1.315 287 S CA -0.562 57.665 58.200 0.046 0.000 1.050 287 S CB 0.924 64.144 63.200 0.032 0.000 0.918 287 S HN 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.134 121.366 120.200 0.054 0.000 2.423 288 E HA 0.409 4.759 4.350 -0.000 0.000 0.280 288 E C -2.062 174.560 176.600 0.037 0.000 1.030 288 E CA -1.009 55.418 56.400 0.044 0.000 0.812 288 E CB 0.901 30.628 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.223 121.639 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.457 175.847 176.300 0.006 0.000 1.062 289 D CA -0.291 53.721 54.000 0.021 0.000 0.832 289 D CB 1.984 42.797 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.386 119.526 119.914 -0.004 0.000 3.046 290 V HA 0.501 4.621 4.120 -0.000 0.000 0.316 290 V C -0.000 176.073 176.094 -0.035 0.000 1.104 290 V CA -0.886 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.354 34.147 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.155 122.520 120.400 -0.058 0.000 2.619 291 D HA 0.225 4.865 4.640 -0.000 0.000 0.224 291 D C 0.030 176.289 176.300 -0.068 0.000 1.133 291 D CA -0.067 53.904 54.000 -0.048 0.000 1.017 291 D CB 0.037 40.812 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.443 122.984 120.570 -0.048 0.000 2.618 292 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 292 I C 0.250 176.361 176.117 -0.011 0.000 1.146 292 I CA 0.545 61.818 61.300 -0.045 0.000 1.425 292 I CB 0.304 38.291 38.000 -0.022 0.000 1.383 292 I HN 0.226 nan 8.210 nan 0.000 0.562 293 E N 3.708 123.910 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.047 175.576 176.600 0.038 0.000 0.950 293 E CA -0.905 55.521 56.400 0.044 0.000 0.796 293 E CB 1.683 31.442 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.239 112.341 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.314 172.423 174.700 0.061 0.000 1.187 294 T CA -1.246 60.885 62.100 0.051 0.000 1.667 294 T CB 0.481 69.385 68.868 0.060 0.000 0.804 294 T HN 0.187 nan 8.240 nan 0.000 0.639 295 P HA 0.035 nan 4.420 nan 0.000 0.225 295 P C 0.430 177.761 177.300 0.052 0.000 1.148 295 P CA 1.212 64.339 63.100 0.045 0.000 0.779 295 P CB 0.050 31.764 31.700 0.024 0.000 0.780 296 D N -2.265 118.191 120.400 0.093 0.000 2.594 296 D HA 0.063 4.703 4.640 -0.000 0.000 0.256 296 D C 0.019 176.370 176.300 0.086 0.000 1.393 296 D CA -0.265 53.768 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.054 0.000 1.110 296 D HN 0.126 nan 8.370 nan 0.000 0.495 297 T N -2.737 111.892 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 -0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.220 0.000 1.119 297 T CA -0.831 61.371 62.100 0.171 0.000 1.007 297 T CB 2.587 71.533 68.868 0.130 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.602 118.498 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 -0.000 0.000 0.350 298 H C -1.184 174.162 175.328 0.029 0.000 1.238 298 H CA -1.458 54.603 56.048 0.022 0.000 1.124 298 H CB 0.801 30.553 29.762 -0.016 0.000 1.866 298 H HN 0.579 nan 8.280 nan 0.000 0.550 299 I N 2.775 123.348 120.570 0.004 0.000 2.379 299 I HA -0.034 4.136 4.170 -0.000 0.000 0.290 299 I C 1.570 177.633 176.117 -0.091 0.000 1.063 299 I CA 0.173 61.442 61.300 -0.052 0.000 1.351 299 I CB 0.999 38.987 38.000 -0.020 0.000 1.410 299 I HN 0.751 nan 8.210 nan 0.000 0.505 300 S N 6.035 121.662 115.700 -0.122 0.000 2.528 300 S HA -0.038 4.432 4.470 -0.000 0.000 0.219 300 S C 0.216 174.865 174.600 0.081 0.000 0.985 300 S CA 0.247 58.402 58.200 -0.076 0.000 0.914 300 S CB -0.052 63.078 63.200 -0.117 0.000 0.776 300 S HN 0.617 nan 8.310 nan 0.000 0.526 301 Y N 1.159 121.416 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 301 Y C -1.169 174.703 175.900 -0.046 0.000 1.135 301 Y CA -1.200 56.870 58.100 -0.050 0.000 1.213 301 Y CB 0.980 39.407 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.617 127.878 119.600 -0.566 0.000 2.084 302 M HA 0.353 4.833 4.480 -0.000 0.000 0.351 302 M C -1.950 173.874 176.300 -0.794 0.000 1.240 302 M CA -2.809 52.188 55.300 -0.505 0.000 1.083 302 M CB 1.141 33.586 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.090 nan 4.420 nan 0.000 0.235 303 P C -0.660 176.494 177.300 -0.244 0.000 1.177 303 P CA 0.639 63.453 63.100 -0.476 0.000 0.785 303 P CB 0.435 32.006 31.700 -0.215 0.000 0.885 304 T N -2.109 112.320 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.504 175.138 174.700 -0.109 0.000 1.269 304 T CA -0.424 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.090 69.897 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.737 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.991 177.080 176.117 -0.047 0.000 1.287 305 I CA -0.078 61.186 61.300 -0.061 0.000 1.192 305 I CB -2.031 35.940 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.871 121.240 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.259 176.836 176.600 -0.038 0.000 1.010 306 K CA 0.128 56.391 56.287 -0.039 0.000 0.875 306 K CB -0.428 32.050 32.500 -0.038 0.000 1.106 306 K HN 1.475 nan 8.250 nan 0.000 0.450 307 E N 0.257 120.443 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 -0.000 0.000 0.259 307 E C 0.994 177.587 176.600 -0.011 0.000 1.196 307 E CA 0.291 56.681 56.400 -0.017 0.000 0.995 307 E CB -0.247 29.450 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.523 109.322 108.800 -0.002 0.000 2.722 308 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G C -0.361 174.540 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.187 118.905 118.700 0.031 0.000 2.492 309 N HA 0.567 5.307 4.740 -0.000 0.000 0.262 309 N C 0.564 176.069 175.510 -0.009 0.000 1.202 309 N CA 0.672 53.732 53.050 0.017 0.000 0.926 309 N CB 1.511 40.062 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.645 114.917 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.949 174.989 174.600 -0.933 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.016 64.100 63.200 -0.192 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.392 120.231 120.500 -1.101 0.000 2.139 311 R HA 0.039 4.379 4.340 -0.000 0.000 0.243 311 R C 2.478 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.255 58.732 56.100 -1.038 0.000 0.976 311 R CB -2.386 27.676 30.300 -0.397 0.000 0.866 311 R HN 1.240 nan 8.270 nan 0.000 0.449 312 E N 1.097 121.071 120.200 -0.377 0.000 2.070 312 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 312 E C 2.167 178.626 176.600 -0.235 0.000 1.004 312 E CA 1.446 57.703 56.400 -0.238 0.000 0.805 312 E CB -0.676 28.922 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.220 120.841 121.223 -0.270 0.000 2.450 313 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 313 L C 2.781 179.523 176.870 -0.214 0.000 1.149 313 L CA 0.718 55.430 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.654 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.824 118.589 119.600 -0.311 0.000 2.460 314 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 314 M C 1.815 178.005 176.300 -0.184 0.000 1.071 314 M CA 1.312 56.430 55.300 -0.302 0.000 1.096 314 M CB -0.531 31.784 32.600 -0.476 0.000 1.408 314 M HN 0.336 nan 8.290 nan 0.000 0.463 315 G N 0.436 109.163 108.800 -0.120 0.000 3.088 315 G HA2 0.059 4.019 3.960 -0.000 0.000 0.217 315 G HA3 0.059 4.019 3.960 -0.000 0.000 0.217 315 G C 0.386 175.352 174.900 0.110 0.000 1.159 315 G CA -0.403 44.692 45.100 -0.009 0.000 0.760 315 G HN 0.579 nan 8.290 nan 0.000 0.550 316 Q N 0.043 119.860 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 -0.000 0.000 0.262 316 Q C -0.755 175.293 176.000 0.080 0.000 1.003 316 Q CA 0.055 55.890 55.803 0.054 0.000 0.888 316 Q CB 0.795 29.506 28.738 -0.046 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.937 120.804 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.240 174.760 176.000 -0.001 0.000 1.038 317 Q CA -0.647 55.183 55.803 0.045 0.000 0.832 317 Q CB 2.496 31.252 28.738 0.030 0.000 1.323 317 Q HN 0.718 nan 8.270 nan 0.000 0.448 318 S N 2.331 118.024 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.992 173.572 174.600 -0.059 0.000 1.115 318 S CA -0.626 57.583 58.200 0.015 0.000 1.059 318 S CB 0.822 64.138 63.200 0.192 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 5.011 124.548 119.600 -0.105 0.000 2.378 319 M HA 0.518 4.998 4.480 -0.000 0.000 0.289 319 M C -2.835 173.466 176.300 0.001 0.000 1.136 319 M CA -2.013 53.212 55.300 -0.124 0.000 0.917 319 M CB 2.360 34.788 32.600 -0.286 0.000 1.669 319 M HN 0.408 nan 8.290 nan 0.000 0.461 320 P HA 0.110 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.173 177.300 0.174 0.000 1.209 320 P CA 0.002 63.221 63.100 0.198 0.000 0.776 320 P CB 0.263 32.079 31.700 0.194 0.000 0.876 321 N N 1.719 120.507 118.700 0.146 0.000 2.503 321 N HA 0.155 4.895 4.740 -0.000 0.000 0.267 321 N C 0.403 175.884 175.510 -0.049 0.000 1.214 321 N CA -0.262 52.843 53.050 0.092 0.000 0.959 321 N CB 0.215 38.747 38.487 0.074 0.000 1.142 321 N HN 0.255 nan 8.380 nan 0.000 0.455 322 R N 1.583 122.010 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 -0.000 0.000 0.277 322 R C -1.995 174.197 176.300 -0.180 0.000 1.039 322 R CA -1.000 54.981 56.100 -0.198 0.000 1.065 322 R CB -0.191 29.926 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.001 nan 4.420 nan 0.000 0.268 323 P C -0.850 176.282 177.300 -0.280 0.000 1.205 323 P CA -0.001 62.872 63.100 -0.379 0.000 0.771 323 P CB 0.532 32.012 31.700 -0.366 0.000 0.858 324 N N 2.036 120.470 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.699 173.643 175.510 -0.280 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.153 38.569 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.613 122.948 120.300 0.058 0.000 2.319 325 Y HA 0.465 5.015 4.550 -0.000 0.000 0.328 325 Y C 0.607 176.619 175.900 0.186 0.000 1.133 325 Y CA -0.074 58.129 58.100 0.172 0.000 1.265 325 Y CB 0.900 39.449 38.460 0.149 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.815 123.631 120.570 0.411 0.000 2.534 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.288 326 I C -0.488 175.585 176.117 -0.073 0.000 1.077 326 I CA -0.694 60.660 61.300 0.090 0.000 1.051 326 I CB 1.770 39.756 38.000 -0.023 0.000 1.234 326 I HN 0.725 nan 8.210 nan 0.000 0.425 327 A N 4.642 127.395 122.820 -0.112 0.000 2.511 327 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 327 A C -1.506 175.978 177.584 -0.167 0.000 1.098 327 A CA -0.590 51.343 52.037 -0.173 0.000 0.643 327 A CB 0.663 19.642 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.227 121.153 119.950 -0.039 0.000 2.444 328 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 328 F C 1.555 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.581 58.589 58.000 0.013 0.000 1.262 328 F CB 0.621 39.717 39.000 0.160 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.153 120.779 120.500 0.211 0.000 2.583 329 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 329 R C -0.808 175.461 176.300 -0.051 0.000 1.101 329 R CA -0.917 55.228 56.100 0.075 0.000 1.180 329 R CB 0.195 30.560 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.285 121.659 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.198 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.684 54.641 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.953 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.556 122.188 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.054 175.504 175.510 0.079 0.000 1.112 331 N CA 0.879 53.933 53.050 0.007 0.000 0.750 331 N CB -1.459 37.129 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.832 118.179 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.988 176.853 175.800 0.109 0.000 0.882 332 F CA 0.202 58.255 58.000 0.088 0.000 1.063 332 F CB -2.082 36.943 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.392 121.095 120.570 0.222 0.000 2.880 333 I HA 0.137 4.307 4.170 -0.000 0.000 0.296 333 I C 1.644 177.884 176.117 0.205 0.000 1.220 333 I CA 1.605 63.022 61.300 0.195 0.000 1.435 333 I CB 0.048 38.131 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.317 113.220 108.800 0.173 0.000 2.320 334 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 334 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 334 G C 0.900 175.850 174.900 0.082 0.000 1.033 334 G CA 0.403 45.571 45.100 0.113 0.000 0.620 334 G HN 0.571 nan 8.290 nan 0.000 0.517 335 L N 0.191 121.515 121.223 0.169 0.000 1.989 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 335 L C 1.912 178.824 176.870 0.071 0.000 1.071 335 L CA 1.653 56.605 54.840 0.186 0.000 0.749 335 L CB -0.217 41.966 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.066 117.498 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.065 175.035 176.300 -0.333 0.000 1.177 336 M CA -0.374 54.743 55.300 -0.306 0.000 1.068 336 M CB 1.358 33.645 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.306 121.439 120.300 -0.277 0.000 2.319 337 Y HA 0.330 4.880 4.550 -0.000 0.000 0.328 337 Y C -0.890 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.472 58.459 58.100 -0.188 0.000 1.265 337 Y CB 0.585 38.934 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.182 120.280 120.300 0.270 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.066 175.937 175.900 0.172 0.000 1.076 338 Y CA -2.556 55.679 58.100 0.226 0.000 1.029 338 Y CB 1.433 40.054 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.391 118.503 118.700 0.324 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.692 174.907 175.510 0.148 0.000 1.033 339 N CA 0.979 54.164 53.050 0.224 0.000 0.727 339 N CB -1.230 37.416 38.487 0.264 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.958 114.796 115.700 0.090 0.000 2.756 340 S HA 0.537 5.007 4.470 -0.000 0.000 0.303 340 S C 1.142 175.711 174.600 -0.052 0.000 1.135 340 S CA -0.623 57.605 58.200 0.045 0.000 1.066 340 S CB 0.976 64.246 63.200 0.115 0.000 1.008 340 S HN 0.120 nan 8.310 nan 0.000 0.482 341 T N 2.530 117.056 114.554 -0.047 0.000 2.803 341 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 341 T C 2.134 176.762 174.700 -0.118 0.000 1.052 341 T CA 2.035 64.086 62.100 -0.081 0.000 1.136 341 T CB -0.254 68.582 68.868 -0.052 0.000 0.864 341 T HN 0.823 nan 8.240 nan 0.000 0.467 342 G N 1.391 110.122 108.800 -0.114 0.000 2.448 342 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 342 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 342 G C 0.932 175.690 174.900 -0.237 0.000 1.135 342 G CA 0.133 45.149 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.260 118.761 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 -0.000 0.000 0.313 343 N C -0.614 174.602 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.514 0.000 0.918 343 N CB 0.980 38.837 38.487 -1.049 0.000 1.320 343 N HN 0.217 nan 8.380 nan 0.000 0.490 344 M N 1.178 120.529 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.898 176.770 176.300 -0.713 0.000 1.304 344 M CA -0.115 54.891 55.300 -0.490 0.000 1.115 344 M CB 0.638 33.033 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.317 111.398 108.800 -1.199 0.000 2.699 345 G HA2 0.443 4.403 3.960 -0.000 0.000 0.246 345 G HA3 0.443 4.403 3.960 -0.000 0.000 0.246 345 G C -1.166 173.288 174.900 -0.744 0.000 1.219 345 G CA -0.626 43.395 45.100 -1.797 0.000 0.866 345 G HN 0.656 nan 8.290 nan 0.000 0.572 346 V N 0.550 120.277 119.914 -0.311 0.000 2.733 346 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 346 V C -0.941 175.351 176.094 0.331 0.000 1.084 346 V CA -0.574 61.736 62.300 0.017 0.000 0.905 346 V CB 1.764 33.580 31.823 -0.012 0.000 1.010 346 V HN 0.685 nan 8.190 nan 0.000 0.424 347 L N 4.727 126.124 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.352 176.650 176.870 0.220 0.000 0.982 347 L CA 0.056 55.084 54.840 0.313 0.000 0.873 347 L CB 1.175 43.390 42.059 0.259 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.812 125.776 122.820 0.240 0.000 2.515 348 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 348 A C -0.181 177.560 177.584 0.261 0.000 1.059 348 A CA -0.207 51.962 52.037 0.220 0.000 0.698 348 A CB 1.310 20.397 19.000 0.145 0.000 1.289 348 A HN 0.815 nan 8.150 nan 0.000 0.404 349 G N 0.066 109.008 108.800 0.237 0.000 2.378 349 G HA2 0.399 4.359 3.960 -0.000 0.000 0.255 349 G HA3 0.399 4.359 3.960 -0.000 0.000 0.255 349 G C 0.391 175.296 174.900 0.009 0.000 1.270 349 G CA -0.173 44.970 45.100 0.073 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.742 121.507 119.800 -0.059 0.000 2.234 350 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 350 Q C 2.595 178.579 176.000 -0.026 0.000 0.980 350 Q CA 1.484 57.271 55.803 -0.027 0.000 0.869 350 Q CB -0.015 28.697 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.301 122.489 122.820 -0.050 0.000 2.218 351 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 351 A C 2.037 179.623 177.584 0.003 0.000 1.168 351 A CA 1.171 53.190 52.037 -0.030 0.000 0.804 351 A CB -0.130 18.841 19.000 -0.048 0.000 0.834 351 A HN 0.388 nan 8.150 nan 0.000 0.482 352 S N -2.792 112.922 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.482 176.112 174.600 0.050 0.000 1.067 352 S CA 1.692 59.922 58.200 0.050 0.000 0.908 352 S CB -0.064 63.185 63.200 0.082 0.000 0.809 352 S HN 1.597 nan 8.310 nan 0.000 0.491 353 Q N -0.703 119.126 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.579 176.611 176.000 0.052 0.000 0.702 353 Q CA 1.416 57.246 55.803 0.045 0.000 1.411 353 Q CB -2.670 26.084 28.738 0.027 0.000 1.717 353 Q HN 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.735 123.000 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.040 176.965 176.870 0.093 0.000 1.065 354 L CA -0.561 54.324 54.840 0.075 0.000 0.806 354 L CB 1.445 43.555 42.059 0.085 0.000 1.175 354 L HN 0.547 nan 8.230 nan 0.000 0.431 355 N N 3.486 122.233 118.700 0.078 0.000 2.411 355 N HA 0.197 4.937 4.740 -0.000 0.000 0.259 355 N C 0.720 176.308 175.510 0.130 0.000 1.103 355 N CA 0.474 53.577 53.050 0.087 0.000 0.954 355 N CB 1.415 39.921 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.506 126.426 122.820 0.167 0.000 2.067 356 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 356 A C 0.618 178.394 177.584 0.320 0.000 1.158 356 A CA 0.533 52.705 52.037 0.225 0.000 0.661 356 A CB -0.020 19.087 19.000 0.179 0.000 0.801 356 A HN 0.450 nan 8.150 nan 0.000 0.452 357 V N 0.838 120.882 119.914 0.215 0.000 2.461 357 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 357 V C -0.540 175.542 176.094 -0.021 0.000 1.047 357 V CA -0.108 62.285 62.300 0.155 0.000 0.955 357 V CB 1.263 33.083 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.439 124.269 119.914 -0.140 0.000 2.498 358 V HA 0.411 4.531 4.120 -0.000 0.000 0.283 358 V C -0.574 175.352 176.094 -0.280 0.000 1.015 358 V CA -0.577 61.504 62.300 -0.365 0.000 0.867 358 V CB 1.595 32.997 31.823 -0.701 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.157 123.450 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.816 175.493 176.300 0.015 0.000 1.029 359 D CA -0.255 53.728 54.000 -0.027 0.000 0.990 359 D CB 2.224 42.958 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.226 122.514 121.223 0.109 0.000 2.388 360 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 360 L C 1.317 178.256 176.870 0.115 0.000 0.998 360 L CA -0.729 54.168 54.840 0.095 0.000 0.817 360 L CB 2.162 44.291 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.053 119.904 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 361 Q C 0.469 176.537 176.000 0.113 0.000 0.962 361 Q CA 0.981 56.836 55.803 0.087 0.000 0.879 361 Q CB 0.237 29.003 28.738 0.047 0.000 0.947 361 Q HN 0.621 nan 8.270 nan 0.000 0.462 362 D N 0.371 120.840 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 362 D C 0.406 176.801 176.300 0.158 0.000 0.966 362 D CA 0.395 54.470 54.000 0.125 0.000 0.876 362 D CB 0.247 41.110 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.313 120.921 120.500 0.181 0.000 2.500 363 R HA 0.257 4.597 4.340 -0.000 0.000 0.277 363 R C -0.566 175.854 176.300 0.201 0.000 1.026 363 R CA -0.484 55.732 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.257 0.000 1.078 363 R HN -0.203 nan 8.270 nan 0.000 0.509 364 N N 1.305 120.090 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.306 175.235 175.510 0.052 0.000 1.250 364 N CA -0.152 52.947 53.050 0.081 0.000 0.820 364 N CB 1.296 39.746 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.872 115.477 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 365 T C 1.370 176.029 174.700 -0.067 0.000 1.039 365 T CA 1.184 63.272 62.100 -0.021 0.000 1.150 365 T CB 0.169 68.925 68.868 -0.186 0.000 0.864 365 T HN 0.444 nan 8.240 nan 0.000 0.427 366 E N 0.843 121.031 120.200 -0.020 0.000 2.058 366 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 366 E C 2.275 178.892 176.600 0.027 0.000 0.997 366 E CA 0.923 57.342 56.400 0.031 0.000 0.801 366 E CB -0.574 29.187 29.700 0.102 0.000 0.746 366 E HN 0.296 nan 8.360 nan 0.000 0.450 367 L N 1.116 122.320 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.773 56.572 54.840 -0.068 0.000 0.747 367 L CB -0.753 41.244 42.059 -0.103 0.000 0.896 367 L HN -0.004 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.965 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.094 176.725 174.600 0.052 0.000 1.035 368 S CA 1.664 59.901 58.200 0.061 0.000 1.014 368 S CB -0.607 62.628 63.200 0.057 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.673 121.920 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.552 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.637 59.667 58.100 -0.115 0.000 1.201 369 Y CB -0.291 38.101 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.087 119.858 119.800 -0.049 0.000 2.050 370 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.250 176.000 -0.196 0.000 0.980 370 Q CA 1.710 57.440 55.803 -0.123 0.000 0.840 370 Q CB -0.521 28.113 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.199 121.285 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.415 179.007 176.870 -0.462 0.000 1.095 371 L CA 0.354 55.074 54.840 -0.200 0.000 0.770 371 L CB -0.455 41.606 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.096 120.722 121.223 -0.676 0.000 2.046 372 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 372 L C 2.347 178.862 176.870 -0.592 0.000 1.077 372 L CA 1.636 55.891 54.840 -0.976 0.000 0.747 372 L CB -0.313 41.349 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.424 120.515 121.223 -0.474 0.000 2.012 373 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 373 L C 2.343 179.114 176.870 -0.164 0.000 1.073 373 L CA 1.952 56.600 54.840 -0.320 0.000 0.748 373 L CB -0.816 41.074 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.279 120.073 120.400 -0.079 0.000 2.149 374 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 374 D C 2.248 178.534 176.300 -0.023 0.000 0.990 374 D CA 1.522 55.530 54.000 0.014 0.000 0.839 374 D CB 0.135 41.068 40.800 0.223 0.000 0.948 374 D HN 0.290 nan 8.370 nan 0.000 0.460 375 S N -0.135 115.507 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.043 176.616 174.600 -0.046 0.000 1.014 375 S CA 0.874 59.042 58.200 -0.054 0.000 0.957 375 S CB -0.709 62.444 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.071 118.440 120.570 -0.097 0.000 3.956 376 I HA 0.589 4.759 4.170 -0.000 0.000 0.333 376 I C 0.693 176.784 176.117 -0.043 0.000 1.302 376 I CA -0.109 61.153 61.300 -0.063 0.000 1.122 376 I CB -0.038 37.912 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.846 109.623 108.800 -0.039 0.000 2.490 377 G HA2 0.116 4.076 3.960 -0.000 0.000 0.308 377 G HA3 0.116 4.076 3.960 -0.000 0.000 0.308 377 G C -2.010 172.876 174.900 -0.023 0.000 1.286 377 G CA -0.394 44.690 45.100 -0.027 0.000 0.825 377 G HN 0.050 nan 8.290 nan 0.000 0.479 378 D N 0.056 120.441 120.400 -0.025 0.000 2.479 378 D HA 0.329 4.969 4.640 -0.000 0.000 0.218 378 D C 1.455 177.739 176.300 -0.027 0.000 1.131 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.916 378 D CB 0.981 41.756 40.800 -0.041 0.000 1.022 378 D HN 0.189 nan 8.370 nan 0.000 0.515 379 R N 1.139 121.619 120.500 -0.032 0.000 2.355 379 R HA -0.088 4.252 4.340 -0.000 0.000 0.219 379 R C 1.846 178.149 176.300 0.004 0.000 1.107 379 R CA 1.032 57.124 56.100 -0.013 0.000 1.021 379 R CB -1.108 29.159 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.290 112.240 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 380 T C 0.906 175.518 174.700 -0.148 0.000 1.093 380 T CA 0.142 62.197 62.100 -0.075 0.000 1.129 380 T CB 0.177 68.977 68.868 -0.114 0.000 0.899 380 T HN -0.030 nan 8.240 nan 0.000 0.491 381 R N 1.124 121.573 120.500 -0.086 0.000 2.490 381 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 381 R C -0.872 175.490 176.300 0.103 0.000 1.069 381 R CA -0.434 55.595 56.100 -0.117 0.000 1.080 381 R CB 0.386 30.640 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.515 121.743 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.008 175.965 175.900 0.094 0.000 1.133 382 Y CA -1.308 56.716 58.100 -0.127 0.000 1.152 382 Y CB 0.820 38.958 38.460 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.243 122.276 119.950 0.139 0.000 2.902 383 F HA 0.230 4.757 4.527 -0.000 0.000 0.368 383 F C 1.041 176.889 175.800 0.080 0.000 1.202 383 F CA -1.608 56.446 58.000 0.090 0.000 1.109 383 F CB 0.991 40.043 39.000 0.086 0.000 1.418 383 F HN 0.479 nan 8.300 nan 0.000 0.527 384 S N 5.000 120.809 115.700 0.181 0.000 2.374 384 S HA -0.299 4.171 4.470 -0.000 0.000 0.227 384 S C 2.141 176.505 174.600 -0.393 0.000 1.037 384 S CA 1.662 59.846 58.200 -0.027 0.000 1.024 384 S CB -0.560 62.679 63.200 0.066 0.000 0.861 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.028 119.015 119.600 -0.928 0.000 2.113 385 M HA -0.162 4.318 4.480 -0.000 0.000 0.255 385 M C 1.245 177.055 176.300 -0.816 0.000 1.073 385 M CA 2.227 56.835 55.300 -1.154 0.000 1.091 385 M CB -0.307 31.206 32.600 -1.811 0.000 1.309 385 M HN 0.610 nan 8.290 nan 0.000 0.407 386 W N -0.677 120.308 121.300 -0.524 0.000 3.330 386 W HA 0.246 4.906 4.660 -0.000 0.000 0.348 386 W C 0.474 176.775 176.519 -0.362 0.000 1.205 386 W CA -0.614 56.624 57.345 -0.178 0.000 1.841 386 W CB -0.180 29.219 29.460 -0.102 0.000 1.084 386 W HN 0.374 nan 8.180 nan 0.000 0.665 387 N N 1.259 119.800 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.021 175.405 175.510 -0.210 0.000 1.107 387 N CA 0.696 53.493 53.050 -0.422 0.000 0.707 387 N CB -1.126 36.630 38.487 -1.219 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.226 120.009 119.800 -0.028 0.000 2.641 388 Q HA 0.458 4.798 4.340 -0.000 0.000 0.225 388 Q C -0.752 175.254 176.000 0.011 0.000 1.309 388 Q CA 0.370 56.220 55.803 0.079 0.000 0.935 388 Q CB -0.008 28.894 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.698 126.434 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 -0.000 0.000 0.299 389 A C -0.726 176.702 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.003 19.519 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.566 122.436 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 4.120 -0.000 0.000 0.307 390 V C 0.052 176.142 176.094 -0.007 0.000 1.089 390 V CA 0.489 62.783 62.300 -0.009 0.000 1.212 390 V CB 0.369 32.209 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.839 125.234 120.400 -0.008 0.000 2.383 391 D HA 0.371 5.011 4.640 -0.000 0.000 0.252 391 D C 0.063 176.467 176.300 0.174 0.000 1.166 391 D CA 0.429 54.462 54.000 0.055 0.000 0.879 391 D CB 1.317 42.093 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.262 117.123 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.113 173.557 174.600 0.116 0.000 1.179 392 S CA -0.917 57.396 58.200 0.187 0.000 0.838 392 S CB 1.759 64.955 63.200 -0.007 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.249 119.016 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.269 4.550 -0.000 0.000 0.338 393 Y C -1.312 174.471 175.900 -0.195 0.000 1.123 393 Y CA -1.309 56.646 58.100 -0.242 0.000 1.046 393 Y CB 0.285 38.442 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.182 123.619 120.400 0.060 0.000 2.371 394 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 394 D C -1.769 174.625 176.300 0.156 0.000 1.193 394 D CA -2.031 51.998 54.000 0.049 0.000 0.881 394 D CB 1.614 42.413 40.800 -0.001 0.000 1.143 394 D HN 0.382 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.564 177.920 177.300 0.092 0.000 1.148 395 P CA 0.883 64.064 63.100 0.136 0.000 0.822 395 P CB 0.363 32.096 31.700 0.055 0.000 0.784 396 D N -1.325 119.138 120.400 0.106 0.000 2.348 396 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 396 D C 1.778 178.199 176.300 0.203 0.000 0.970 396 D CA 0.605 54.702 54.000 0.161 0.000 0.889 396 D CB 0.009 40.914 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.278 120.228 119.914 0.060 0.000 2.575 397 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 397 V C 2.378 178.335 176.094 -0.228 0.000 1.045 397 V CA 0.591 62.818 62.300 -0.122 0.000 1.065 397 V CB -0.033 31.569 31.823 -0.368 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.570 120.898 120.500 -0.286 0.000 2.075 398 R HA 0.065 4.405 4.340 -0.000 0.000 0.232 398 R C 0.558 176.718 176.300 -0.234 0.000 1.126 398 R CA 1.492 57.343 56.100 -0.414 0.000 0.963 398 R CB -0.095 29.802 30.300 -0.670 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.433 121.937 120.570 -0.110 0.000 2.411 399 I HA 0.266 4.436 4.170 -0.000 0.000 0.284 399 I C -0.671 175.466 176.117 0.033 0.000 1.012 399 I CA -0.700 60.561 61.300 -0.064 0.000 1.119 399 I CB 1.961 39.926 38.000 -0.059 0.000 1.261 399 I HN 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.938 126.549 120.570 0.069 0.000 2.533 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 400 I C 0.618 176.847 176.117 0.186 0.000 1.109 400 I CA 0.289 61.693 61.300 0.173 0.000 1.412 400 I CB 0.481 38.599 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.680 126.994 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.673 175.934 176.600 0.013 0.000 0.925 401 E CA -0.603 55.870 56.400 0.121 0.000 0.748 401 E CB 0.559 30.326 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.414 122.161 118.700 0.077 0.000 2.663 402 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 402 N C 0.129 175.568 175.510 -0.118 0.000 1.129 402 N CA -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.562 nan 8.380 nan 0.000 0.512 403 H N 1.422 120.373 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.072 176.265 175.328 -0.225 0.000 1.004 403 H CA 0.076 56.018 56.048 -0.177 0.000 1.167 403 H CB 0.134 29.799 29.762 -0.163 0.000 1.445 403 H HN 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.750 110.334 108.800 -0.360 0.000 2.512 404 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G C -0.188 174.464 174.900 -0.412 0.000 1.246 404 G CA 0.179 45.102 45.100 -0.296 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.577 111.864 114.554 -0.188 0.000 2.909 405 T HA 0.690 5.040 4.350 -0.000 0.000 0.299 405 T C -0.547 174.111 174.700 -0.071 0.000 1.073 405 T CA -0.144 61.872 62.100 -0.139 0.000 0.999 405 T CB 2.336 71.161 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.286 122.448 120.200 -0.062 0.000 1.964 406 E HA 0.167 4.517 4.350 -0.000 0.000 0.264 406 E C -0.274 176.300 176.600 -0.043 0.000 1.120 406 E CA -0.413 55.958 56.400 -0.048 0.000 1.061 406 E CB 0.075 29.747 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.223 121.598 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.536 176.805 176.300 -0.051 0.000 1.291 407 D CA -0.250 53.721 54.000 -0.048 0.000 0.836 407 D CB 0.387 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.310 120.483 120.200 -0.044 0.000 2.051 408 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 408 E C 0.686 177.259 176.600 -0.045 0.000 0.991 408 E CA 0.785 57.162 56.400 -0.038 0.000 0.799 408 E CB 0.101 29.783 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.409 123.601 121.223 -0.053 0.000 2.371 409 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 409 L C -2.004 174.790 176.870 -0.127 0.000 1.124 409 L CA -1.961 52.840 54.840 -0.064 0.000 0.816 409 L CB 0.323 42.352 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.236 nan 4.420 nan 0.000 0.281 410 P C -1.527 175.415 177.300 -0.596 0.000 1.249 410 P CA -0.602 62.264 63.100 -0.390 0.000 0.810 410 P CB 0.640 32.065 31.700 -0.459 0.000 1.008 411 N N 1.049 119.369 118.700 -0.633 0.000 2.372 411 N HA 0.424 5.164 4.740 -0.000 0.000 0.285 411 N C -1.029 174.105 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.271 53.050 -0.506 0.000 0.880 411 N CB 0.872 39.215 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.003 120.198 120.300 -0.175 0.000 2.598 412 Y HA 0.635 5.185 4.550 -0.000 0.000 0.340 412 Y C 0.220 175.799 175.900 -0.536 0.000 1.038 412 Y CA -1.427 56.414 58.100 -0.431 0.000 1.100 412 Y CB 1.144 39.182 38.460 -0.703 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.393 119.388 119.300 -0.508 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.025 173.573 174.990 -0.653 0.000 1.226 413 C CA -1.046 57.735 59.018 -0.394 0.000 1.569 413 C CB -0.787 26.855 27.740 -0.163 0.000 2.200 413 C HN 0.612 nan 8.230 nan 0.000 0.491 414 F N 1.022 120.962 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 -0.000 0.000 0.339 414 F C -1.980 173.815 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.655 58.000 -0.038 0.000 0.994 414 F CB 0.327 39.299 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.273 nan 4.420 nan 0.000 0.275 415 P C 0.826 178.121 177.300 -0.010 0.000 1.228 415 P CA -0.285 62.894 63.100 0.132 0.000 0.786 415 P CB 0.751 32.546 31.700 0.158 0.000 0.927 416 L N 1.151 122.343 121.223 -0.051 0.000 2.089 416 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 416 L C 2.143 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.222 56.945 54.840 -0.196 0.000 0.758 416 L CB -1.242 40.793 42.059 -0.041 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.807 106.439 108.800 -0.924 0.000 2.985 417 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 417 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 417 G C 1.288 175.794 174.900 -0.655 0.000 1.165 417 G CA 0.493 44.583 45.100 -1.684 0.000 0.776 417 G HN 0.551 nan 8.290 nan 0.000 0.541 418 G N -1.684 106.909 108.800 -0.345 0.000 2.212 418 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G C 0.094 174.951 174.900 -0.072 0.000 0.978 418 G CA 0.507 45.500 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.338 119.549 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 -0.000 0.000 0.294 419 V C 0.274 176.427 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.967 33.817 31.823 0.046 0.000 1.093 419 V HN 0.366 nan 8.190 nan 0.000 0.434 420 I N 2.728 123.371 120.570 0.121 0.000 4.770 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.327 420 I C 0.538 176.698 176.117 0.072 0.000 1.271 420 I CA 0.189 61.562 61.300 0.122 0.000 1.320 420 I CB 0.796 38.866 38.000 0.116 0.000 1.319 420 I HN 0.618 nan 8.210 nan 0.000 0.462 421 N N 2.821 121.550 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.113 175.415 175.510 0.030 0.000 1.268 421 N CA 0.177 53.237 53.050 0.017 0.000 1.035 421 N CB -0.112 38.370 38.487 -0.008 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.549 113.032 114.554 0.045 0.000 2.860 422 T HA 0.202 4.552 4.350 -0.000 0.000 0.299 422 T C 0.321 175.034 174.700 0.021 0.000 1.045 422 T CA -0.634 61.490 62.100 0.039 0.000 1.071 422 T CB 1.388 70.289 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.682 120.890 120.200 0.013 0.000 2.210 423 E HA 0.354 4.704 4.350 -0.000 0.000 0.266 423 E C -1.093 175.508 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.314 31.012 29.700 -0.003 0.000 1.156 423 E HN 0.598 nan 8.360 nan 0.000 0.412 424 T N 4.293 118.847 114.554 -0.000 0.000 2.902 424 T HA 0.229 4.579 4.350 -0.000 0.000 0.301 424 T C 0.198 174.895 174.700 -0.006 0.000 1.012 424 T CA 0.080 62.179 62.100 -0.001 0.000 1.151 424 T CB 0.057 68.924 68.868 -0.001 0.000 0.946 424 T HN 0.368 nan 8.240 nan 0.000 0.542 425 L N 1.850 123.070 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 -0.000 0.000 0.256 425 L C 0.135 177.000 176.870 -0.008 0.000 1.034 425 L CA -1.056 53.775 54.840 -0.015 0.000 0.832 425 L CB 2.569 44.612 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.692 115.235 114.554 -0.019 0.000 2.848 426 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 426 T C -0.578 174.106 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.843 70.713 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.662 123.050 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 427 K C -0.873 175.715 176.600 -0.020 0.000 1.009 427 K CA -0.215 56.031 56.287 -0.068 0.000 0.970 427 K CB 0.481 32.892 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.778 121.684 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.603 175.596 176.094 0.175 0.000 1.115 428 V CA -0.748 61.602 62.300 0.083 0.000 0.998 428 V CB 1.908 33.772 31.823 0.069 0.000 1.042 428 V HN 0.904 nan 8.190 nan 0.000 0.433 429 K N 3.630 124.167 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.048 173.656 176.600 0.174 0.000 0.934 429 K CA -1.872 54.526 56.287 0.186 0.000 0.802 429 K CB 1.639 34.187 32.500 0.079 0.000 1.171 429 K HN 0.507 nan 8.250 nan 0.000 0.426 438 W N 0.140 121.435 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 -0.000 0.000 0.338 438 W C 0.094 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.371 56.968 57.345 -0.009 0.000 1.209 438 W CB 2.032 31.485 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.346 120.674 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.874 30.610 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.381 121.835 120.400 0.091 0.000 2.469 440 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 440 K C -0.189 176.452 176.600 0.068 0.000 0.983 440 K CA 0.376 56.706 56.287 0.071 0.000 0.974 440 K CB 0.388 32.919 32.500 0.051 0.000 0.913 440 K HN 0.695 nan 8.250 nan 0.000 0.493 441 D N -0.433 120.007 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.659 175.694 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.753 42.597 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.006 115.814 115.700 0.179 0.000 2.672 446 S HA 0.451 4.921 4.470 -0.000 0.000 0.276 446 S C 0.629 175.285 174.600 0.093 0.000 1.207 446 S CA -0.393 57.862 58.200 0.092 0.000 1.002 446 S CB 0.273 63.501 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.389 120.821 120.400 0.053 0.000 2.269 447 D HA 0.169 4.809 4.640 -0.000 0.000 0.208 447 D C 0.604 176.922 176.300 0.030 0.000 0.963 447 D CA 1.377 55.401 54.000 0.039 0.000 0.864 447 D CB -0.201 40.614 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.243 121.660 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.749 175.864 176.600 0.023 0.000 0.962 448 K CA -0.819 55.479 56.287 0.019 0.000 0.896 448 K CB 0.433 32.936 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.963 120.681 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 -0.000 0.000 0.293 449 N C -1.110 174.413 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.174 40.699 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.730 121.942 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 4.350 -0.000 0.000 0.284 450 E C -0.371 176.247 176.600 0.031 0.000 1.016 450 E CA -0.059 56.355 56.400 0.024 0.000 0.817 450 E CB 1.331 31.047 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.580 123.163 120.570 0.022 0.000 2.533 451 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 451 I C -0.483 175.645 176.117 0.018 0.000 1.056 451 I CA -1.120 60.191 61.300 0.019 0.000 1.057 451 I CB 1.863 39.865 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.612 126.126 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 452 R C -1.563 174.744 176.300 0.012 0.000 1.054 452 R CA -0.208 55.907 56.100 0.025 0.000 0.912 452 R CB 0.921 31.243 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.015 125.934 119.914 0.009 0.000 2.333 453 V HA 0.741 4.861 4.120 -0.000 0.000 0.274 453 V C 0.810 176.908 176.094 0.007 0.000 1.028 453 V CA 0.663 62.963 62.300 0.001 0.000 0.851 453 V CB 0.302 32.119 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.369 114.172 108.800 0.005 0.000 2.396 454 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.254 454 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.254 454 G C -0.610 174.297 174.900 0.012 0.000 1.248 454 G CA -0.753 44.352 45.100 0.008 0.000 1.033 454 G HN 0.553 nan 8.290 nan 0.000 0.502 455 N N 1.087 119.796 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.733 176.269 175.510 0.043 0.000 1.264 455 N CA 0.288 53.346 53.050 0.014 0.000 0.942 455 N CB 0.215 38.700 38.487 -0.003 0.000 1.190 455 N HN 0.916 nan 8.380 nan 0.000 0.495 456 N N -0.575 118.156 118.700 0.052 0.000 2.408 456 N HA 0.111 4.851 4.740 -0.000 0.000 0.260 456 N C -0.666 174.946 175.510 0.170 0.000 1.242 456 N CA -0.380 52.736 53.050 0.110 0.000 0.959 456 N CB 0.131 38.678 38.487 0.100 0.000 1.201 456 N HN 0.381 nan 8.380 nan 0.000 0.511 457 F N -0.095 119.891 119.950 0.060 0.000 2.467 457 F HA 0.529 5.056 4.527 -0.000 0.000 0.362 457 F C -0.164 175.658 175.800 0.037 0.000 1.090 457 F CA -0.716 57.308 58.000 0.039 0.000 1.202 457 F CB -0.161 38.862 39.000 0.038 0.000 1.113 457 F HN 0.728 nan 8.300 nan 0.000 0.541 458 A N 7.639 130.030 122.820 -0.716 0.000 2.498 458 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 458 A C -1.250 175.870 177.584 -0.773 0.000 1.075 458 A CA -0.903 50.700 52.037 -0.724 0.000 0.714 458 A CB 1.546 20.195 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.446 120.707 119.600 -0.565 0.000 2.393 459 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 459 M C -0.433 175.789 176.300 -0.129 0.000 1.087 459 M CA -0.174 54.934 55.300 -0.320 0.000 0.937 459 M CB 1.721 34.167 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.242 122.419 120.200 -0.038 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.657 174.888 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.782 56.400 -0.033 0.000 0.842 460 E CB 2.528 32.234 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.697 123.179 120.570 -0.147 0.000 2.787 461 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 461 I C -1.759 174.276 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.956 39.907 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.599 126.236 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.800 176.283 175.510 -0.046 0.000 1.083 462 N CA -0.151 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.512 38.952 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.825 123.017 121.223 -0.051 0.000 1.963 463 L HA -0.279 4.061 4.340 -0.000 0.000 0.220 463 L C 1.774 178.651 176.870 0.012 0.000 1.076 463 L CA 1.232 56.061 54.840 -0.020 0.000 0.772 463 L CB -0.431 41.611 42.059 -0.028 0.000 0.892 463 L HN 0.480 nan 8.230 nan 0.000 0.435 464 N N 0.073 118.777 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 464 N C 1.818 177.380 175.510 0.087 0.000 1.031 464 N CA 1.657 54.725 53.050 0.031 0.000 0.852 464 N CB -0.385 38.099 38.487 -0.004 0.000 1.018 464 N HN 0.366 nan 8.380 nan 0.000 0.423 465 A N 1.718 124.583 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 465 A C 2.124 179.798 177.584 0.149 0.000 1.181 465 A CA 1.282 53.399 52.037 0.133 0.000 0.627 465 A CB -0.544 18.504 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.161 118.912 118.700 0.085 0.000 2.025 466 N HA -0.145 4.595 4.740 -0.000 0.000 0.194 466 N C 1.822 177.395 175.510 0.106 0.000 1.044 466 N CA 1.741 54.832 53.050 0.069 0.000 0.851 466 N CB -0.470 38.038 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.088 121.387 121.223 0.126 0.000 1.990 467 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 467 L C 2.506 179.532 176.870 0.261 0.000 1.072 467 L CA 1.419 56.357 54.840 0.164 0.000 0.755 467 L CB -0.635 41.506 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.381 122.712 121.300 0.053 0.000 2.321 468 W HA -0.272 4.388 4.660 -0.000 0.000 0.306 468 W C 2.729 179.334 176.519 0.143 0.000 1.217 468 W CA 1.396 58.785 57.345 0.073 0.000 1.257 468 W CB -0.124 29.344 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.267 120.782 120.500 0.025 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.908 178.184 176.300 -0.040 0.000 1.137 469 R CA 2.313 58.349 56.100 -0.107 0.000 0.943 469 R CB -0.704 29.575 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.149 118.582 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.339 176.927 175.510 0.131 0.000 1.017 470 N CA 1.366 54.473 53.050 0.094 0.000 0.859 470 N CB -0.291 38.260 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.794 120.741 119.950 -0.006 0.000 2.146 471 F HA 0.015 4.542 4.527 -0.000 0.000 0.298 471 F C 1.705 177.444 175.800 -0.102 0.000 1.096 471 F CA 1.016 59.011 58.000 -0.007 0.000 1.275 471 F CB -0.181 38.843 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.151 119.909 121.223 -0.272 0.000 2.027 472 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 472 L C 2.327 179.064 176.870 -0.222 0.000 1.074 472 L CA 1.524 56.132 54.840 -0.388 0.000 0.745 472 L CB -1.050 40.726 42.059 -0.471 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.122 120.292 120.300 -0.216 0.000 2.145 473 Y HA -0.308 4.242 4.550 -0.000 0.000 0.286 473 Y C 3.066 178.900 175.900 -0.110 0.000 1.145 473 Y CA 1.800 59.812 58.100 -0.146 0.000 1.148 473 Y CB -0.275 38.114 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.094 115.600 115.700 -0.010 0.000 2.356 474 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 474 S C 1.795 176.425 174.600 0.050 0.000 1.032 474 S CA 1.778 59.970 58.200 -0.013 0.000 1.005 474 S CB -0.435 62.806 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.043 118.684 118.700 -0.097 0.000 2.395 475 N HA 0.157 4.897 4.740 -0.000 0.000 0.175 475 N C 1.416 176.937 175.510 0.019 0.000 1.029 475 N CA 1.122 54.150 53.050 -0.037 0.000 0.897 475 N CB 0.063 38.278 38.487 -0.453 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.603 121.101 120.570 -0.120 0.000 3.345 476 I HA 0.135 4.305 4.170 -0.000 0.000 0.258 476 I C 2.260 178.340 176.117 -0.061 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.518 37.400 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.455 124.159 122.820 -0.193 0.000 1.870 477 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.132 53.987 52.037 -0.303 0.000 0.650 477 A CB -1.389 17.299 19.000 -0.520 0.000 0.836 477 A HN 0.405 nan 8.150 nan 0.000 0.454 478 L N -2.251 118.672 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 478 L C 2.008 178.581 176.870 -0.495 0.000 1.114 478 L CA 1.054 55.577 54.840 -0.529 0.000 0.777 478 L CB -0.436 41.267 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.962 119.208 120.300 -0.217 0.000 2.466 479 Y HA 0.173 4.723 4.550 -0.000 0.000 0.272 479 Y C 1.140 176.968 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.148 38.271 38.460 -0.068 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.257 123.446 121.223 -0.057 0.000 2.503 480 L HA 0.002 4.342 4.340 -0.000 0.000 0.287 480 L C -1.891 174.919 176.870 -0.100 0.000 1.252 480 L CA -1.649 53.142 54.840 -0.082 0.000 0.835 480 L CB 0.052 42.025 42.059 -0.144 0.000 1.099 480 L HN -0.060 nan 8.230 nan 0.000 0.516 481 P HA -0.018 nan 4.420 nan 0.000 0.269 481 P C -0.055 177.182 177.300 -0.105 0.000 1.209 481 P CA -0.107 62.946 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.214 31.700 -0.067 0.000 0.876 482 D N 2.393 122.760 120.400 -0.054 0.000 2.158 482 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 482 D C 1.732 178.003 176.300 -0.048 0.000 0.995 482 D CA 1.434 55.410 54.000 -0.039 0.000 0.846 482 D CB -0.146 40.693 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.361 120.732 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.831 178.380 176.600 -0.084 0.000 1.046 483 K CA 1.058 57.316 56.287 -0.048 0.000 0.933 483 K CB -0.383 32.094 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.678 121.809 121.223 -0.153 0.000 2.558 484 L HA 0.097 4.437 4.340 -0.000 0.000 0.225 484 L C 0.883 177.692 176.870 -0.101 0.000 1.128 484 L CA 0.124 54.859 54.840 -0.175 0.000 0.868 484 L CB 0.041 41.906 42.059 -0.322 0.000 1.006 484 L HN 0.096 nan 8.230 nan 0.000 0.454 485 K N -0.059 120.279 120.400 -0.103 0.000 2.209 485 K HA 0.464 4.784 4.320 -0.000 0.000 0.238 485 K C -1.115 175.475 176.600 -0.017 0.000 1.028 485 K CA -0.622 55.586 56.287 -0.132 0.000 0.935 485 K CB 1.229 33.588 32.500 -0.235 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.027 117.199 120.300 -0.124 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.015 174.814 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.918 39.326 38.460 -0.088 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.468 120.236 115.700 0.113 0.000 2.565 487 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 487 S C -2.457 172.216 174.600 0.122 0.000 1.326 487 S CA -0.860 57.351 58.200 0.018 0.000 1.045 487 S CB 0.280 63.493 63.200 0.022 0.000 0.918 487 S HN 0.554 nan 8.310 nan 0.000 0.505 488 P HA 0.257 nan 4.420 nan 0.000 0.277 488 P C -0.943 176.387 177.300 0.049 0.000 1.240 488 P CA -0.612 62.523 63.100 0.058 0.000 0.798 488 P CB 0.496 32.192 31.700 -0.007 0.000 0.979 489 S N 1.747 117.479 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 489 S C 0.415 174.993 174.600 -0.036 0.000 1.309 489 S CA -0.634 57.571 58.200 0.009 0.000 1.043 489 S CB -0.313 62.892 63.200 0.009 0.000 0.939 489 S HN 0.539 nan 8.310 nan 0.000 0.504 490 N N -0.894 117.782 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 490 N C -1.109 174.369 175.510 -0.054 0.000 1.103 490 N CA 0.589 53.605 53.050 -0.057 0.000 0.707 490 N CB -1.546 36.884 38.487 -0.095 0.000 1.043 490 N HN 0.443 nan 8.380 nan 0.000 0.553 491 V N -0.455 119.439 119.914 -0.033 0.000 2.569 491 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 491 V C 0.604 176.688 176.094 -0.017 0.000 1.044 491 V CA -0.692 61.593 62.300 -0.026 0.000 0.874 491 V CB 1.873 33.684 31.823 -0.021 0.000 1.002 491 V HN 0.334 nan 8.190 nan 0.000 0.424 492 K N 4.672 125.064 120.400 -0.012 0.000 2.448 492 K HA 0.636 4.956 4.320 -0.000 0.000 0.278 492 K C -0.579 176.015 176.600 -0.009 0.000 1.009 492 K CA 0.327 56.610 56.287 -0.005 0.000 0.995 492 K CB 0.647 33.146 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.031 121.603 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.322 176.473 176.117 0.057 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.262 40.251 38.000 -0.018 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.701 119.448 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 -0.000 0.000 0.274 494 S C 0.494 175.155 174.600 0.102 0.000 1.353 494 S CA 0.574 58.823 58.200 0.082 0.000 1.023 494 S CB 0.726 63.968 63.200 0.071 0.000 0.876 494 S HN 0.733 nan 8.310 nan 0.000 0.540 495 D N 0.793 121.205 120.400 0.021 0.000 2.327 495 D HA 0.127 4.767 4.640 -0.000 0.000 0.205 495 D C 0.006 176.222 176.300 -0.139 0.000 0.989 495 D CA 0.289 54.270 54.000 -0.031 0.000 0.873 495 D CB 0.044 40.830 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.796 119.419 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.927 173.373 175.510 -0.349 0.000 1.069 496 N CA -1.913 51.028 53.050 -0.181 0.000 0.947 496 N CB 1.437 39.876 38.487 -0.080 0.000 1.111 496 N HN -0.114 nan 8.380 nan 0.000 0.497 497 P HA 0.013 nan 4.420 nan 0.000 0.229 497 P C 0.134 177.281 177.300 -0.255 0.000 1.160 497 P CA 0.787 63.370 63.100 -0.861 0.000 0.777 497 P CB 0.420 31.692 31.700 -0.715 0.000 0.814 498 N N -0.984 117.631 118.700 -0.142 0.000 2.383 498 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 498 N C 0.522 176.031 175.510 -0.002 0.000 1.141 498 N CA 0.544 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.319 38.149 38.487 -0.031 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.326 114.231 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 499 T C 0.962 175.718 174.700 0.094 0.000 1.005 499 T CA -0.440 61.694 62.100 0.056 0.000 1.061 499 T CB 1.267 70.164 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.245 122.530 120.300 -0.025 0.000 2.220 500 Y HA -0.078 4.472 4.550 -0.000 0.000 0.291 500 Y C 2.182 178.035 175.900 -0.078 0.000 1.129 500 Y CA 2.081 60.144 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.848 nan 8.280 nan 0.000 0.522 501 D N -0.926 119.485 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 -0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.861 55.807 54.000 -0.089 0.000 0.840 501 D CB -0.537 40.274 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.508 120.692 120.300 -0.192 0.000 2.089 502 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 502 Y C 2.298 178.042 175.900 -0.260 0.000 1.139 502 Y CA 1.855 59.844 58.100 -0.184 0.000 1.123 502 Y CB -0.381 38.007 38.460 -0.121 0.000 0.980 502 Y HN -0.001 nan 8.280 nan 0.000 0.493 503 M N -0.212 119.268 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 503 M C 1.791 177.777 176.300 -0.524 0.000 1.063 503 M CA 2.054 57.154 55.300 -0.333 0.000 1.097 503 M CB -0.473 31.980 32.600 -0.244 0.000 1.382 503 M HN 0.309 nan 8.290 nan 0.000 0.413 504 N N 0.379 118.673 118.700 -0.675 0.000 2.376 504 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 504 N C 1.306 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.029 53.620 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.078 38.487 -1.089 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.559 119.516 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C 0.000 176.377 176.600 -0.373 0.000 1.052 505 K CA -0.160 55.885 56.287 -0.404 0.000 0.984 505 K CB 0.350 32.674 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.818 122.008 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 -0.000 0.000 0.281 506 R C -0.044 175.992 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.980 56.100 -0.520 0.000 1.077 506 R CB 0.230 30.154 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.825 122.415 119.914 -0.539 0.000 2.612 507 V HA 0.573 4.693 4.120 -0.000 0.000 0.301 507 V C -0.475 175.232 176.094 -0.646 0.000 1.046 507 V CA -0.678 61.276 62.300 -0.576 0.000 0.946 507 V CB 2.038 33.485 31.823 -0.627 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.961 125.667 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.321 176.425 176.094 0.016 0.000 1.062 508 V CA -0.037 62.138 62.300 -0.208 0.000 0.901 508 V CB 1.691 33.374 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.909 130.756 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.630 176.039 177.584 0.142 0.000 1.144 509 A CA -1.073 51.015 52.037 0.085 0.000 0.806 509 A CB 0.330 19.354 19.000 0.040 0.000 1.080 509 A HN 0.788 nan 8.150 nan 0.000 0.509 510 P HA -0.101 nan 4.420 nan 0.000 0.220 510 P C 1.562 178.897 177.300 0.058 0.000 1.148 510 P CA 1.677 64.876 63.100 0.165 0.000 0.803 510 P CB 0.070 31.689 31.700 -0.136 0.000 0.782 511 G N -0.325 108.497 108.800 0.037 0.000 2.535 511 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 511 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 511 G C 1.411 176.346 174.900 0.058 0.000 1.122 511 G CA 0.251 45.383 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.329 120.924 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 512 L C 0.875 177.789 176.870 0.073 0.000 1.086 512 L CA 0.556 55.438 54.840 0.070 0.000 0.760 512 L CB 0.143 42.229 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.788 119.136 119.914 0.017 0.000 2.468 513 V HA 0.220 4.340 4.120 -0.000 0.000 0.256 513 V C -0.403 175.610 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.515 32.308 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.553 120.809 120.400 -0.240 0.000 2.383 514 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 514 D C 1.507 177.518 176.300 -0.481 0.000 1.170 514 D CA -0.006 53.724 54.000 -0.450 0.000 0.977 514 D CB 2.247 42.624 40.800 -0.704 0.000 1.120 514 D HN 0.538 nan 8.370 nan 0.000 0.481 515 C N 0.653 119.725 119.300 -0.380 0.000 2.400 515 C HA -0.161 4.299 4.460 -0.000 0.000 0.291 515 C C 1.904 176.967 174.990 0.121 0.000 1.372 515 C CA 0.183 59.160 59.018 -0.069 0.000 1.800 515 C CB -2.137 25.721 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.145 119.261 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 -0.000 0.000 0.283 516 Y C 0.788 176.759 175.900 0.120 0.000 1.181 516 Y CA -2.158 56.027 58.100 0.141 0.000 1.256 516 Y CB -1.081 37.436 38.460 0.094 0.000 1.112 516 Y HN 0.175 nan 8.280 nan 0.000 0.521 517 I N 3.443 124.094 120.570 0.135 0.000 2.533 517 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 517 I C 0.167 176.388 176.117 0.172 0.000 1.109 517 I CA 0.159 61.557 61.300 0.165 0.000 1.412 517 I CB -0.398 37.650 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.551 124.330 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.080 175.484 175.510 0.090 0.000 0.978 518 N CA 0.500 53.592 53.050 0.070 0.000 0.777 518 N CB -0.908 37.621 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.103 121.383 121.223 0.095 0.000 2.578 519 L HA 0.012 4.352 4.340 -0.000 0.000 0.279 519 L C 1.658 178.557 176.870 0.048 0.000 1.227 519 L CA 1.217 56.112 54.840 0.091 0.000 0.900 519 L CB 0.083 42.196 42.059 0.090 0.000 1.144 519 L HN 0.647 nan 8.230 nan 0.000 0.496 520 G N 2.625 111.456 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G C 0.163 175.090 174.900 0.046 0.000 0.976 520 G CA 0.150 45.273 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.665 122.195 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.360 178.033 177.584 0.149 0.000 1.134 521 A CA -0.166 51.924 52.037 0.089 0.000 0.831 521 A CB 1.042 20.074 19.000 0.053 0.000 1.288 521 A HN 0.686 nan 8.150 nan 0.000 0.472 522 R N 1.483 122.088 120.500 0.176 0.000 2.423 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.293 522 R C -1.594 174.870 176.300 0.273 0.000 1.196 522 R CA -0.168 56.037 56.100 0.175 0.000 1.262 522 R CB 0.424 30.790 30.300 0.109 0.000 1.116 522 R HN 0.773 nan 8.270 nan 0.000 0.566 523 W N 3.512 124.821 121.300 0.015 0.000 2.998 523 W HA 0.265 4.925 4.660 -0.000 0.000 0.335 523 W C -1.059 175.454 176.519 -0.009 0.000 1.110 523 W CA -0.649 56.694 57.345 -0.003 0.000 1.230 523 W CB 2.214 31.677 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.794 120.177 115.700 -0.527 0.000 2.537 524 S HA 0.491 4.961 4.470 -0.000 0.000 0.275 524 S C -0.181 174.149 174.600 -0.450 0.000 1.272 524 S CA -0.696 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.402 64.348 63.200 -0.423 0.000 0.961 524 S HN 0.438 nan 8.310 nan 0.000 0.496 525 L N 2.815 123.964 121.223 -0.123 0.000 2.499 525 L HA 0.063 4.403 4.340 -0.000 0.000 0.273 525 L C 0.945 177.777 176.870 -0.064 0.000 1.195 525 L CA -0.304 54.548 54.840 0.019 0.000 0.882 525 L CB 0.121 42.238 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.771 122.166 120.400 -0.008 0.000 2.263 526 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 526 D C 1.624 177.901 176.300 -0.039 0.000 0.971 526 D CA 1.422 55.382 54.000 -0.067 0.000 0.867 526 D CB 0.121 40.908 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.170 120.155 120.300 0.042 0.000 2.286 527 Y HA 0.000 4.550 4.550 -0.000 0.000 0.293 527 Y C 2.187 178.094 175.900 0.012 0.000 1.124 527 Y CA 0.642 58.763 58.100 0.035 0.000 1.178 527 Y CB -0.130 38.352 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.604 119.078 119.600 0.137 0.000 2.541 528 M HA -0.049 4.431 4.480 -0.000 0.000 0.252 528 M C 1.056 177.346 176.300 -0.018 0.000 1.125 528 M CA 0.633 55.953 55.300 0.034 0.000 1.091 528 M CB -0.726 31.854 32.600 -0.033 0.000 1.420 528 M HN 0.148 nan 8.290 nan 0.000 0.486 529 D N 1.659 122.036 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 529 D C 1.094 177.492 176.300 0.164 0.000 0.998 529 D CA 1.231 55.186 54.000 -0.074 0.000 0.836 529 D CB -0.245 40.437 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.023 118.861 118.700 0.230 0.000 2.314 530 N HA 0.032 4.772 4.740 -0.000 0.000 0.200 530 N C -0.460 175.263 175.510 0.355 0.000 1.135 530 N CA 0.015 53.268 53.050 0.339 0.000 0.835 530 N CB 0.952 39.581 38.487 0.236 0.000 0.989 530 N HN 0.011 nan 8.380 nan 0.000 0.478 531 V N 1.671 121.693 119.914 0.181 0.000 2.407 531 V HA 0.118 4.238 4.120 -0.000 0.000 0.278 531 V C 0.585 176.525 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.349 33.184 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.732 126.167 118.700 -0.442 0.000 2.386 532 N HA 0.025 4.765 4.740 -0.000 0.000 0.273 532 N C -1.443 173.763 175.510 -0.508 0.000 1.331 532 N CA -1.202 51.280 53.050 -0.946 0.000 0.891 532 N CB 1.423 39.696 38.487 -0.357 0.000 1.139 532 N HN 0.338 nan 8.380 nan 0.000 0.487 533 P HA -0.032 nan 4.420 nan 0.000 0.225 533 P C 0.851 177.798 177.300 -0.589 0.000 1.156 533 P CA 0.981 63.637 63.100 -0.739 0.000 0.787 533 P CB 0.003 30.964 31.700 -1.231 0.000 0.802 534 F N -0.197 119.725 119.950 -0.046 0.000 2.367 534 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 534 F C 1.105 176.953 175.800 0.079 0.000 1.094 534 F CA 0.402 58.446 58.000 0.073 0.000 1.409 534 F CB -1.154 37.908 39.000 0.104 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.467 120.283 118.700 0.193 0.000 2.671 535 N HA 0.004 4.744 4.740 -0.000 0.000 0.274 535 N C -0.653 174.981 175.510 0.207 0.000 1.188 535 N CA 0.435 53.607 53.050 0.203 0.000 1.065 535 N CB -0.497 38.115 38.487 0.208 0.000 1.415 535 N HN 0.308 nan 8.380 nan 0.000 0.511 536 H N 0.545 119.648 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.766 176.145 175.328 0.086 0.000 1.260 536 H CA -0.381 55.619 56.048 -0.080 0.000 1.160 536 H CB 1.205 30.710 29.762 -0.427 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.330 121.444 119.070 0.073 0.000 2.546 537 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 537 H C 0.506 176.023 175.328 0.316 0.000 1.004 537 H CA 0.454 56.688 56.048 0.310 0.000 1.231 537 H CB 0.272 30.200 29.762 0.278 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.939 121.466 120.500 0.046 0.000 2.388 538 R HA 0.033 4.373 4.340 -0.000 0.000 0.247 538 R C 0.119 176.425 176.300 0.011 0.000 0.931 538 R CA -0.242 55.844 56.100 -0.022 0.000 1.082 538 R CB 0.120 30.328 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.205 119.943 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 539 N C 0.700 176.231 175.510 0.035 0.000 1.127 539 N CA -0.014 53.082 53.050 0.076 0.000 0.945 539 N CB 1.263 39.836 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.716 126.568 122.820 0.054 0.000 1.917 540 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 540 A C 1.980 179.608 177.584 0.074 0.000 1.182 540 A CA 1.947 54.036 52.037 0.087 0.000 0.633 540 A CB -1.143 17.942 19.000 0.142 0.000 0.819 540 A HN 0.666 nan 8.150 nan 0.000 0.448 541 G N -0.127 108.691 108.800 0.030 0.000 2.459 541 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 541 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 541 G C 1.513 176.360 174.900 -0.089 0.000 1.183 541 G CA 1.300 46.315 45.100 -0.141 0.000 0.776 541 G HN 0.653 nan 8.290 nan 0.000 0.552 542 L N 0.492 121.701 121.223 -0.024 0.000 2.056 542 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 542 L C 2.669 179.493 176.870 -0.077 0.000 1.078 542 L CA 2.175 57.008 54.840 -0.012 0.000 0.749 542 L CB -0.618 41.471 42.059 0.051 0.000 0.901 542 L HN 0.232 nan 8.230 nan 0.000 0.433 543 R N -1.674 118.714 120.500 -0.187 0.000 2.083 543 R HA -0.274 4.066 4.340 -0.000 0.000 0.237 543 R C 2.434 178.641 176.300 -0.154 0.000 1.137 543 R CA 2.167 58.004 56.100 -0.439 0.000 0.951 543 R CB -0.715 29.309 30.300 -0.459 0.000 0.851 543 R HN 0.582 nan 8.270 nan 0.000 0.434 544 Y N 0.752 120.962 120.300 -0.149 0.000 2.181 544 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 544 Y C 2.122 177.974 175.900 -0.080 0.000 1.146 544 Y CA 1.728 59.777 58.100 -0.084 0.000 1.164 544 Y CB -0.006 38.388 38.460 -0.110 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.580 119.885 120.500 -0.058 0.000 2.115 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 545 R C 2.755 179.012 176.300 -0.072 0.000 1.111 545 R CA 1.235 57.274 56.100 -0.102 0.000 0.976 545 R CB -0.474 29.801 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.297 115.988 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 546 S C 1.877 176.529 174.600 0.086 0.000 1.029 546 S CA 1.109 59.364 58.200 0.091 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.434 120.050 119.600 0.027 0.000 2.319 547 M HA 0.021 4.501 4.480 -0.000 0.000 0.265 547 M C 1.855 178.108 176.300 -0.079 0.000 1.068 547 M CA 0.590 55.901 55.300 0.017 0.000 1.118 547 M CB -0.288 32.324 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.503 121.600 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.014 178.855 176.870 -0.049 0.000 1.089 548 L CA 1.841 56.552 54.840 -0.216 0.000 0.757 548 L CB -0.638 41.248 42.059 -0.288 0.000 0.899 548 L HN 0.313 nan 8.230 nan 0.000 0.434 549 L N -2.045 119.175 121.223 -0.004 0.000 2.209 549 L HA 0.259 4.599 4.340 -0.000 0.000 0.207 549 L C 1.143 178.040 176.870 0.045 0.000 1.094 549 L CA 0.499 55.366 54.840 0.046 0.000 0.790 549 L CB -0.382 41.684 42.059 0.011 0.000 0.932 549 L HN 0.444 nan 8.230 nan 0.000 0.447 550 G N 0.109 108.939 108.800 0.051 0.000 2.334 550 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.315 550 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.315 550 G C -0.484 174.516 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.075 118.887 118.700 0.187 0.000 2.203 551 N HA 0.342 5.082 4.740 -0.000 0.000 0.207 551 N C 0.728 176.444 175.510 0.343 0.000 1.130 551 N CA 0.787 54.004 53.050 0.279 0.000 0.861 551 N CB 1.023 39.608 38.487 0.164 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.119 108.833 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 -0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 -0.000 0.000 0.331 552 G C 0.399 175.319 174.900 0.033 0.000 1.170 552 G CA -0.733 44.479 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.304 120.160 120.500 -0.059 0.000 2.080 553 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 553 R C -0.087 175.965 176.300 -0.413 0.000 1.137 553 R CA 1.111 57.007 56.100 -0.341 0.000 0.943 553 R CB -0.293 29.634 30.300 -0.622 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.197 120.490 120.300 -0.013 0.000 2.365 554 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 554 Y C -0.386 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.650 57.444 58.100 -0.010 0.000 1.196 554 Y CB 1.397 39.862 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.719 125.732 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 555 V C -2.595 173.624 176.094 0.209 0.000 1.044 555 V CA -2.165 60.227 62.300 0.153 0.000 0.874 555 V CB 2.193 34.079 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.482 nan 4.420 nan 0.000 0.293 556 P C -1.040 176.350 177.300 0.149 0.000 1.300 556 P CA -0.197 62.943 63.100 0.066 0.000 0.792 556 P CB 0.645 32.352 31.700 0.011 0.000 0.925 557 F N 0.122 120.144 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 557 F C -0.571 175.330 175.800 0.169 0.000 1.059 557 F CA -1.122 56.979 58.000 0.169 0.000 0.953 557 F CB 1.741 40.908 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.861 123.074 119.070 0.240 0.000 3.108 558 H HA 0.624 5.180 4.556 -0.000 0.000 0.329 558 H C -1.363 174.025 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.479 31.260 29.762 0.032 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.966 121.645 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.577 174.461 176.117 -0.131 0.000 1.122 559 I CA -1.264 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.720 40.490 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.446 122.141 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.245 174.863 176.000 0.180 0.000 1.022 560 Q CA -0.521 55.268 55.803 -0.024 0.000 0.773 560 Q CB 2.526 31.010 28.738 -0.422 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.239 124.297 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 561 V C -2.219 174.023 176.094 0.247 0.000 1.030 561 V CA -1.963 60.477 62.300 0.233 0.000 0.881 561 V CB 1.472 33.349 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.349 nan 4.420 nan 0.000 0.287 562 P C -1.262 175.888 177.300 -0.251 0.000 1.270 562 P CA -0.795 62.078 63.100 -0.378 0.000 0.844 562 P CB 1.085 32.255 31.700 -0.882 0.000 1.068 563 Q N 1.349 120.981 119.800 -0.280 0.000 2.294 563 Q HA 0.179 4.519 4.340 -0.000 0.000 0.257 563 Q C 0.276 176.130 176.000 -0.244 0.000 0.955 563 Q CA 0.608 56.279 55.803 -0.220 0.000 0.936 563 Q CB 0.746 29.355 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.334 123.631 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 564 K C -0.220 176.277 176.600 -0.173 0.000 1.070 564 K CA -0.259 55.798 56.287 -0.383 0.000 0.998 564 K CB 0.291 32.370 32.500 -0.701 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.814 122.656 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 -0.000 0.000 0.398 565 F C 1.083 176.874 175.800 -0.016 0.000 1.023 565 F CA -0.864 57.133 58.000 -0.004 0.000 1.188 565 F CB 0.193 39.349 39.000 0.260 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.383 123.947 119.950 -0.643 0.000 2.161 566 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 566 F C 1.740 177.254 175.800 -0.477 0.000 1.089 566 F CA 1.332 59.056 58.000 -0.461 0.000 1.282 566 F CB -1.194 37.620 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.040 122.906 122.820 -1.590 0.000 2.119 567 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 567 A C 2.057 179.324 177.584 -0.529 0.000 1.153 567 A CA 1.515 52.976 52.037 -0.960 0.000 0.692 567 A CB -1.134 17.436 19.000 -0.717 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.046 116.309 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 -0.000 0.000 0.329 568 I C 1.724 177.641 176.117 -0.333 0.000 1.313 568 I CA 0.507 61.641 61.300 -0.276 0.000 1.205 568 I CB -0.035 37.940 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.206 122.422 120.400 -0.306 0.000 2.113 569 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 569 K C 0.633 177.079 176.600 -0.257 0.000 1.047 569 K CA 2.518 58.660 56.287 -0.241 0.000 0.928 569 K CB -0.694 31.714 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.227 118.690 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.832 174.537 175.510 -0.235 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.608 39.048 38.487 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.510 122.489 121.223 -0.407 0.000 2.490 571 L HA 0.201 4.541 4.340 -0.000 0.000 0.274 571 L C -0.430 176.388 176.870 -0.088 0.000 1.201 571 L CA -0.158 54.568 54.840 -0.189 0.000 0.869 571 L CB 0.471 42.377 42.059 -0.256 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.806 127.037 121.223 0.012 0.000 2.259 572 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 572 L C -0.825 176.015 176.870 -0.051 0.000 1.051 572 L CA -0.187 54.639 54.840 -0.023 0.000 0.824 572 L CB 0.804 42.873 42.059 0.015 0.000 1.206 572 L HN 0.616 nan 8.230 nan 0.000 0.429 573 L N 5.773 126.927 121.223 -0.116 0.000 2.313 573 L HA 0.365 4.705 4.340 -0.000 0.000 0.282 573 L C -0.212 176.640 176.870 -0.030 0.000 1.092 573 L CA 0.370 55.113 54.840 -0.161 0.000 0.831 573 L CB 0.624 42.490 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.856 127.101 121.223 0.036 0.000 2.479 574 L HA 0.443 4.783 4.340 -0.000 0.000 0.249 574 L C -1.890 175.116 176.870 0.227 0.000 1.178 574 L CA -2.090 52.818 54.840 0.113 0.000 0.811 574 L CB 0.037 42.147 42.059 0.085 0.000 1.187 574 L HN 0.465 nan 8.230 nan 0.000 0.480 575 P HA 0.235 nan 4.420 nan 0.000 0.269 575 P C -0.155 177.235 177.300 0.150 0.000 1.209 575 P CA 0.235 63.438 63.100 0.172 0.000 0.776 575 P CB 0.707 32.460 31.700 0.088 0.000 0.876 576 G N 0.344 109.186 108.800 0.070 0.000 2.368 576 G HA2 0.222 4.182 3.960 -0.000 0.000 0.302 576 G HA3 0.222 4.182 3.960 -0.000 0.000 0.302 576 G C -1.479 173.191 174.900 -0.384 0.000 1.329 576 G CA -0.613 44.362 45.100 -0.209 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.185 115.191 115.700 -0.541 0.000 2.451 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.301 577 S C -1.227 173.023 174.600 -0.583 0.000 1.116 577 S CA -0.340 57.642 58.200 -0.365 0.000 1.093 577 S CB 0.672 63.788 63.200 -0.140 0.000 1.017 577 S HN 0.483 nan 8.310 nan 0.000 0.482 578 Y N 0.332 120.641 120.300 0.014 0.000 2.536 578 Y HA 0.433 4.983 4.550 -0.000 0.000 0.347 578 Y C 0.568 176.509 175.900 0.069 0.000 1.000 578 Y CA -1.088 57.030 58.100 0.031 0.000 1.051 578 Y CB 1.253 39.715 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.704 117.416 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 -0.000 0.000 0.298 579 T C -1.595 173.321 174.700 0.359 0.000 0.962 579 T CA -0.229 62.016 62.100 0.243 0.000 0.972 579 T CB -0.402 68.560 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.601 124.042 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 580 Y C -0.190 175.966 175.900 0.427 0.000 0.958 580 Y CA -1.751 56.535 58.100 0.311 0.000 1.167 580 Y CB 0.869 39.481 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.101 126.466 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.924 174.729 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.136 0.000 0.753 581 E CB 1.668 31.394 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.586 123.752 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.150 175.117 176.519 -0.419 0.000 1.239 582 W CA -0.632 56.467 57.345 -0.410 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.172 120.615 118.700 -0.428 0.000 2.399 583 N HA 0.484 5.224 4.740 -0.000 0.000 0.295 583 N C -1.538 173.853 175.510 -0.199 0.000 1.048 583 N CA -0.251 52.690 53.050 -0.181 0.000 0.886 583 N CB 1.683 40.030 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.635 120.749 119.950 0.273 0.000 2.520 584 F HA 0.460 4.987 4.527 -0.000 0.000 0.322 584 F C 1.026 177.030 175.800 0.339 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.340 40.256 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.443 122.122 120.500 0.299 0.000 2.582 585 R HA 0.303 4.643 4.340 -0.000 0.000 0.271 585 R C 0.621 177.204 176.300 0.473 0.000 1.078 585 R CA -0.213 56.039 56.100 0.254 0.000 1.127 585 R CB 0.862 31.127 30.300 -0.058 0.000 1.038 585 R HN 0.712 nan 8.270 nan 0.000 0.500 586 K N 0.297 120.954 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.473 176.275 176.600 0.247 0.000 1.148 586 K CA -0.080 56.411 56.287 0.340 0.000 1.014 586 K CB 0.602 33.290 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.998 122.577 120.400 0.298 0.000 2.389 587 D HA -0.054 4.586 4.640 -0.000 0.000 0.263 587 D C 1.385 177.789 176.300 0.173 0.000 1.255 587 D CA -0.033 54.132 54.000 0.275 0.000 0.914 587 D CB 1.190 42.168 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.482 122.468 119.914 0.120 0.000 2.469 588 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 588 V C 1.691 177.812 176.094 0.045 0.000 1.064 588 V CA 1.426 63.754 62.300 0.046 0.000 1.066 588 V CB -0.621 31.198 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.243 118.505 118.700 0.079 0.000 2.453 589 N HA 0.019 4.759 4.740 -0.000 0.000 0.183 589 N C 1.564 177.192 175.510 0.196 0.000 1.041 589 N CA 1.531 54.625 53.050 0.074 0.000 0.900 589 N CB -0.147 38.360 38.487 0.032 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.763 118.949 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.093 178.485 176.300 0.153 0.000 1.168 590 M CA 0.617 56.024 55.300 0.177 0.000 1.194 590 M CB -0.841 31.824 32.600 0.109 0.000 1.311 590 M HN 0.017 nan 8.290 nan 0.000 0.489 591 V N -0.703 119.304 119.914 0.155 0.000 2.871 591 V HA 0.130 4.250 4.120 -0.000 0.000 0.256 591 V C 0.959 177.141 176.094 0.147 0.000 1.082 591 V CA 0.553 62.981 62.300 0.213 0.000 1.105 591 V CB -0.357 31.641 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.911 122.145 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.386 176.460 176.870 -0.040 0.000 1.012 592 L CA -0.464 54.320 54.840 -0.093 0.000 0.815 592 L CB 1.742 43.680 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.117 120.883 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.530 174.455 176.000 -0.024 0.000 1.062 593 Q CA -0.559 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.519 31.266 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.798 116.476 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 594 S C 0.562 175.201 174.600 0.065 0.000 1.087 594 S CA -0.074 58.138 58.200 0.020 0.000 0.965 594 S CB 1.685 64.873 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.855 116.643 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 595 S C 1.375 176.081 174.600 0.176 0.000 1.014 595 S CA 0.270 58.589 58.200 0.199 0.000 0.950 595 S CB -0.546 62.841 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.563 122.856 121.223 0.117 0.000 2.375 596 L HA 0.372 4.712 4.340 -0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.137 56.028 54.840 0.084 0.000 0.830 596 L CB -1.473 40.626 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.366 109.149 108.800 -0.028 0.000 2.160 597 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 597 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 597 G C 0.459 175.263 174.900 -0.160 0.000 1.008 597 G CA 0.498 45.474 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.327 118.993 118.700 -0.056 0.000 2.260 598 N HA 0.224 4.964 4.740 -0.000 0.000 0.230 598 N C -0.388 175.080 175.510 -0.069 0.000 1.323 598 N CA 0.072 53.111 53.050 -0.018 0.000 0.897 598 N CB 0.548 39.070 38.487 0.058 0.000 1.146 598 N HN 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.277 120.653 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 599 D C 1.111 177.386 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.665 54.000 -0.056 0.000 0.918 599 D CB -0.093 40.687 40.800 -0.034 0.000 1.043 599 D HN 0.479 nan 8.370 nan 0.000 0.506 600 L N 3.567 124.754 121.223 -0.060 0.000 2.265 600 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 600 L C 2.422 179.281 176.870 -0.018 0.000 1.117 600 L CA 0.684 55.496 54.840 -0.047 0.000 0.782 600 L CB -0.228 41.792 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.495 120.005 120.500 0.001 0.000 2.066 601 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 601 R C 2.199 178.513 176.300 0.023 0.000 1.131 601 R CA 1.097 57.216 56.100 0.031 0.000 0.955 601 R CB -0.840 29.500 30.300 0.066 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.237 122.161 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.942 177.041 176.094 0.009 0.000 1.048 602 V CA 1.682 63.991 62.300 0.015 0.000 1.049 602 V CB -0.369 31.462 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.254 120.653 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 603 D C 1.690 177.974 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.101 40.693 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.279 109.071 108.800 -0.014 0.000 2.155 604 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G C 0.604 175.489 174.900 -0.025 0.000 0.983 604 G CA 0.274 45.366 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.532 122.264 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 -0.000 0.000 0.248 605 A C 0.638 178.198 177.584 -0.039 0.000 1.082 605 A CA 1.082 53.081 52.037 -0.063 0.000 0.785 605 A CB 0.964 19.909 19.000 -0.092 0.000 1.020 605 A HN 1.478 nan 8.150 nan 0.000 0.489 606 S N 0.449 116.123 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 606 S C -1.177 173.400 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.890 nan 8.310 nan 0.000 0.472 607 I N 3.318 123.857 120.570 -0.052 0.000 2.644 607 I HA 0.529 4.699 4.170 -0.000 0.000 0.291 607 I C -1.578 174.438 176.117 -0.168 0.000 1.180 607 I CA -0.507 60.742 61.300 -0.085 0.000 1.040 607 I CB 1.721 39.630 38.000 -0.152 0.000 1.255 607 I HN 0.741 nan 8.210 nan 0.000 0.422 608 K N 6.681 126.997 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 608 K C -2.113 174.367 176.600 -0.201 0.000 0.933 608 K CA -0.492 55.689 56.287 -0.175 0.000 0.792 608 K CB 1.442 33.911 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.321 123.292 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 -0.000 0.000 0.358 609 F C 0.859 176.577 175.800 -0.136 0.000 1.120 609 F CA -0.613 57.302 58.000 -0.141 0.000 1.144 609 F CB 1.305 40.026 39.000 -0.465 0.000 1.133 609 F HN 0.661 nan 8.300 nan 0.000 0.495 610 D N 0.585 120.987 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 610 D C 0.497 176.786 176.300 -0.017 0.000 0.964 610 D CA 0.978 54.966 54.000 -0.019 0.000 0.875 610 D CB 0.428 41.176 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.423 115.231 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 611 S C -1.244 173.292 174.600 -0.108 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.679 64.859 63.200 -0.033 0.000 1.109 611 S HN 0.088 nan 8.310 nan 0.000 0.458 612 I N 2.229 122.764 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.138 175.123 176.117 0.240 0.000 1.048 612 I CA -0.258 61.026 61.300 -0.027 0.000 1.062 612 I CB 1.075 38.907 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.918 125.376 119.300 0.264 0.000 2.630 613 C HA 0.723 5.183 4.460 -0.000 0.000 0.346 613 C C -0.679 174.385 174.990 0.123 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.724 29.562 27.740 0.164 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.841 122.974 121.223 -0.149 0.000 2.349 614 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 614 L C -1.481 175.242 176.870 -0.245 0.000 0.996 614 L CA -0.031 54.609 54.840 -0.333 0.000 0.825 614 L CB 0.311 41.900 42.059 -0.783 0.000 1.243 614 L HN 0.640 nan 8.230 nan 0.000 0.412 615 Y N 3.610 123.674 120.300 -0.393 0.000 2.420 615 Y HA 0.834 5.384 4.550 -0.000 0.000 0.334 615 Y C 0.210 175.945 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.640 58.100 -0.392 0.000 1.126 615 Y CB 2.272 40.260 38.460 -0.787 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.513 124.399 122.820 0.110 0.000 2.465 616 A HA 0.674 4.994 4.320 -0.000 0.000 0.292 616 A C -1.106 176.565 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.907 19.974 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.071 116.644 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 617 T C -0.979 173.736 174.700 0.026 0.000 0.995 617 T CA 0.108 62.297 62.100 0.147 0.000 1.009 617 T CB 0.337 69.302 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.638 121.662 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 618 F C -0.113 175.782 175.800 0.159 0.000 1.116 618 F CA -1.835 56.251 58.000 0.144 0.000 0.930 618 F CB 1.026 40.103 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.148 126.233 119.950 0.224 0.000 2.543 619 F HA 0.290 4.817 4.527 -0.000 0.000 0.375 619 F C -1.659 174.248 175.800 0.179 0.000 1.075 619 F CA -2.120 55.975 58.000 0.158 0.000 1.225 619 F CB 0.740 39.806 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA 0.000 nan 4.420 nan 0.000 0.228 620 P C -0.059 177.306 177.300 0.108 0.000 1.748 620 P CA 0.020 63.119 63.100 -0.002 0.000 0.909 620 P CB -0.303 31.327 31.700 -0.118 0.000 1.882 621 M N 1.148 121.001 119.600 0.423 0.000 2.250 621 M HA 0.191 4.671 4.480 -0.000 0.000 0.337 621 M C 0.300 176.801 176.300 0.335 0.000 1.161 621 M CA -0.058 55.544 55.300 0.503 0.000 1.088 621 M CB 0.555 33.435 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.284 127.266 122.820 0.270 0.000 2.540 622 A HA 0.009 4.329 4.320 -0.000 0.000 0.239 622 A C 0.652 178.408 177.584 0.288 0.000 1.061 622 A CA 0.194 52.353 52.037 0.205 0.000 0.758 622 A CB -0.246 18.847 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 2.002 121.121 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.891 177.258 175.328 0.064 0.000 1.097 623 H CA 1.421 57.511 56.048 0.069 0.000 1.311 623 H CB 0.154 29.948 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.860 119.673 118.700 0.190 0.000 2.084 624 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 624 N C 1.704 177.277 175.510 0.105 0.000 1.030 624 N CA 1.756 54.880 53.050 0.122 0.000 0.849 624 N CB -1.053 37.492 38.487 0.097 0.000 1.012 624 N HN 0.206 nan 8.380 nan 0.000 0.423 625 T N 1.423 116.048 114.554 0.118 0.000 2.674 625 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 625 T C 2.199 176.950 174.700 0.086 0.000 1.039 625 T CA 2.004 64.163 62.100 0.098 0.000 1.150 625 T CB -0.682 68.251 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.535 124.421 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.522 54.613 52.037 0.090 0.000 0.631 626 A CB -1.245 17.819 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.231 114.503 115.700 0.056 0.000 2.370 627 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 627 S C 1.999 176.622 174.600 0.037 0.000 1.033 627 S CA 2.349 60.572 58.200 0.039 0.000 1.011 627 S CB -0.806 62.420 63.200 0.043 0.000 0.852 627 S HN 0.562 nan 8.310 nan 0.000 0.457 628 T N 2.332 116.912 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 628 T C 1.692 176.408 174.700 0.026 0.000 1.040 628 T CA 1.369 63.490 62.100 0.035 0.000 1.141 628 T CB -0.519 68.372 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.325 122.564 121.223 0.027 0.000 2.083 629 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 629 L C 2.387 179.265 176.870 0.013 0.000 1.083 629 L CA 1.855 56.705 54.840 0.016 0.000 0.752 629 L CB -0.489 41.578 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.276 119.936 120.200 0.020 0.000 2.031 630 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 630 E C 2.138 178.741 176.600 0.005 0.000 0.994 630 E CA 1.266 57.676 56.400 0.017 0.000 0.800 630 E CB -0.272 29.442 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.096 123.921 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.263 179.845 177.584 -0.004 0.000 1.191 631 A CA 2.253 54.292 52.037 0.003 0.000 0.638 631 A CB -0.664 18.343 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.801 118.799 119.600 0.000 0.000 2.086 632 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 632 M C 1.936 178.230 176.300 -0.009 0.000 1.067 632 M CA 1.361 56.659 55.300 -0.002 0.000 1.116 632 M CB -0.468 32.132 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.522 120.694 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 633 L C 2.262 179.109 176.870 -0.039 0.000 1.158 633 L CA 0.571 55.401 54.840 -0.017 0.000 0.842 633 L CB -0.548 41.505 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.337 120.133 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.098 176.337 176.300 -0.101 0.000 0.961 634 R CA 0.029 56.064 56.100 -0.109 0.000 1.024 634 R CB -0.018 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.703 120.387 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.223 175.782 175.510 0.083 0.000 1.098 635 N CA 0.090 53.155 53.050 0.024 0.000 0.979 635 N CB 1.278 39.776 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.450 120.052 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 636 D C 1.622 177.960 176.300 0.063 0.000 0.986 636 D CA 1.476 55.581 54.000 0.175 0.000 0.847 636 D CB -0.295 40.514 40.800 0.015 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.212 113.361 114.554 0.031 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.082 175.782 174.700 0.001 0.000 1.084 637 T CA 0.929 63.033 62.100 0.006 0.000 1.123 637 T CB -0.409 68.459 68.868 0.000 0.000 0.865 637 T HN 0.002 nan 8.240 nan 0.000 0.496 638 N N 1.851 120.558 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.945 174.564 175.510 -0.001 0.000 1.129 638 N CA -0.208 52.840 53.050 -0.003 0.000 0.854 638 N CB 0.156 38.639 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.310 121.721 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 -0.000 0.000 0.244 639 D C 0.657 176.930 176.300 -0.045 0.000 1.134 639 D CA 0.391 54.407 54.000 0.027 0.000 0.881 639 D CB 1.054 41.893 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.432 120.199 119.800 -0.055 0.000 2.368 640 Q HA 0.457 4.797 4.340 -0.000 0.000 0.237 640 Q C -0.212 175.605 176.000 -0.306 0.000 0.987 640 Q CA -0.251 55.440 55.803 -0.186 0.000 0.896 640 Q CB 1.039 29.738 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.517 115.800 115.700 -0.695 0.000 2.533 641 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 641 S C -1.375 172.672 174.600 -0.921 0.000 1.143 641 S CA -0.850 57.016 58.200 -0.557 0.000 0.891 641 S CB 0.849 63.907 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.413 121.397 119.950 0.057 0.000 2.626 642 F HA 0.647 5.174 4.527 -0.000 0.000 0.311 642 F C -0.038 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 58.000 0.136 0.000 0.949 642 F CB 2.018 41.102 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.220 118.705 118.700 0.374 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.068 173.303 175.510 -0.231 0.000 1.114 643 N CA -0.631 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.066 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.217 120.400 -0.905 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.917 177.046 176.300 -0.286 0.000 1.128 644 D CA -0.195 53.351 54.000 -0.756 0.000 0.884 644 D CB 0.619 40.813 40.800 -1.010 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.554 123.737 120.300 -0.195 0.000 2.128 645 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 645 Y C 1.696 177.498 175.900 -0.164 0.000 1.154 645 Y CA 1.430 59.446 58.100 -0.140 0.000 1.149 645 Y CB -0.192 38.213 38.460 -0.092 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.360 121.536 121.223 -0.079 0.000 2.046 646 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 646 L C 1.268 177.983 176.870 -0.258 0.000 1.077 646 L CA 1.856 56.610 54.840 -0.143 0.000 0.747 646 L CB -0.858 41.169 42.059 -0.053 0.000 0.896 646 L HN 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.299 115.235 115.700 -0.277 0.000 3.436 647 S HA 0.013 4.483 4.470 -0.000 0.000 0.393 647 S C -0.013 174.449 174.600 -0.229 0.000 0.914 647 S CA 0.472 58.492 58.200 -0.301 0.000 1.317 647 S CB -1.456 61.495 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.513 123.249 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 -0.000 0.000 0.292 648 A C -0.556 177.016 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.828 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.668 124.468 122.820 -0.034 0.000 2.260 649 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 649 A C -0.282 177.359 177.584 0.096 0.000 1.254 649 A CA -0.605 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.053 18.754 19.000 -0.322 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.540 122.347 118.700 0.177 0.000 2.426 650 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 650 N C -0.818 174.869 175.510 0.295 0.000 1.019 650 N CA -0.150 53.103 53.050 0.339 0.000 0.941 650 N CB 1.444 40.205 38.487 0.458 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.326 122.148 119.600 0.370 0.000 2.530 651 M HA 0.513 4.993 4.480 -0.000 0.000 0.307 651 M C -0.896 175.456 176.300 0.088 0.000 1.161 651 M CA -0.634 54.755 55.300 0.148 0.000 0.903 651 M CB 2.127 34.821 32.600 0.157 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.796 123.865 121.223 -0.256 0.000 2.381 652 L HA 0.577 4.917 4.340 -0.000 0.000 0.274 652 L C -1.671 174.945 176.870 -0.423 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.576 43.515 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.939 123.277 120.300 0.062 0.000 2.376 653 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 653 Y C -2.261 173.645 175.900 0.011 0.000 0.965 653 Y CA -2.925 55.200 58.100 0.042 0.000 1.078 653 Y CB 1.472 39.964 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.234 nan 4.420 nan 0.000 0.271 654 P C -0.529 176.809 177.300 0.063 0.000 1.216 654 P CA 0.110 63.251 63.100 0.069 0.000 0.776 654 P CB 1.105 32.830 31.700 0.042 0.000 0.881 655 I N 4.289 124.874 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 -0.000 0.000 0.277 655 I C -2.243 173.871 176.117 -0.005 0.000 1.045 655 I CA -2.713 58.589 61.300 0.004 0.000 1.135 655 I CB 1.655 39.639 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.002 177.297 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.568 32.269 31.700 0.001 0.000 0.855 657 A N 2.880 125.695 122.820 -0.008 0.000 2.567 657 A HA -0.028 4.292 4.320 -0.000 0.000 0.240 657 A C 0.933 178.514 177.584 -0.005 0.000 1.053 657 A CA 0.810 52.843 52.037 -0.007 0.000 0.755 657 A CB -1.490 17.508 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.891 117.806 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 -0.000 0.000 0.225 658 N C 0.347 175.852 175.510 -0.007 0.000 0.883 658 N CA 0.718 53.766 53.050 -0.003 0.000 1.010 658 N CB -1.666 36.824 38.487 0.004 0.000 1.052 658 N HN 1.263 nan 8.380 nan 0.000 0.598 659 A N -0.030 122.784 122.820 -0.011 0.000 2.466 659 A HA 0.441 4.761 4.320 -0.000 0.000 0.238 659 A C 1.203 178.775 177.584 -0.020 0.000 1.074 659 A CA 1.235 53.266 52.037 -0.011 0.000 0.774 659 A CB 0.527 19.522 19.000 -0.008 0.000 1.015 659 A HN 0.231 nan 8.150 nan 0.000 0.498 660 T N 0.246 114.791 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 -0.000 0.000 0.260 660 T C 0.225 174.918 174.700 -0.011 0.000 0.939 660 T CA 0.057 62.145 62.100 -0.020 0.000 0.886 660 T CB -0.172 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.111 119.811 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.398 174.125 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.643 124.588 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 -0.000 0.000 0.277 662 V C -2.404 173.736 176.094 0.077 0.000 1.012 662 V CA -1.379 60.957 62.300 0.060 0.000 0.832 662 V CB 1.289 33.143 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.652 nan 4.420 nan 0.000 0.300 663 P C -0.792 176.486 177.300 -0.036 0.000 1.326 663 P CA -0.502 62.599 63.100 0.001 0.000 0.844 663 P CB 1.931 33.631 31.700 -0.001 0.000 0.992 664 I N -1.031 119.501 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.866 175.236 176.117 -0.025 0.000 1.049 664 I CA -0.672 60.547 61.300 -0.134 0.000 1.063 664 I CB 2.570 40.325 38.000 -0.407 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.286 122.006 115.700 0.033 0.000 2.521 665 S HA 0.702 5.172 4.470 -0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.129 0.000 1.098 665 S CA -0.674 57.570 58.200 0.073 0.000 0.999 665 S CB 1.372 64.609 63.200 0.061 0.000 1.034 665 S HN 0.508 nan 8.310 nan 0.000 0.483 666 I N 5.343 126.000 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.387 173.809 176.117 0.132 0.000 1.012 666 I CA -2.491 58.905 61.300 0.160 0.000 1.119 666 I CB 1.484 39.631 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.264 177.602 177.300 0.064 0.000 1.195 667 P CA 0.077 63.212 63.100 0.058 0.000 0.768 667 P CB 0.501 32.214 31.700 0.021 0.000 0.838 668 S N 3.233 118.989 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 -0.000 0.000 0.329 668 S C 0.361 174.983 174.600 0.037 0.000 1.231 668 S CA 0.288 58.565 58.200 0.128 0.000 1.042 668 S CB -0.407 62.845 63.200 0.087 0.000 0.756 668 S HN 0.739 nan 8.310 nan 0.000 0.504 669 R N 3.209 123.740 120.500 0.053 0.000 2.829 669 R HA 0.434 4.774 4.340 -0.000 0.000 0.267 669 R C -1.094 175.080 176.300 -0.211 0.000 1.051 669 R CA -1.118 54.859 56.100 -0.204 0.000 0.927 669 R CB 0.377 30.351 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.133 118.348 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.790 174.444 175.510 -0.460 0.000 1.098 670 N CA -0.233 52.690 53.050 -0.211 0.000 0.979 670 N CB 0.650 39.067 38.487 -0.117 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.863 123.199 121.300 0.061 0.000 2.862 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.376 671 W C 0.738 177.330 176.519 0.121 0.000 1.028 671 W CA -0.390 56.965 57.345 0.016 0.000 1.757 671 W CB -0.028 29.396 29.460 -0.061 0.000 1.128 671 W HN 0.510 nan 8.180 nan 0.000 0.566 672 A N 1.078 124.068 122.820 0.284 0.000 2.546 672 A HA 0.391 4.711 4.320 -0.000 0.000 0.243 672 A C 1.504 179.232 177.584 0.240 0.000 1.063 672 A CA 1.240 53.428 52.037 0.252 0.000 0.757 672 A CB -0.095 19.003 19.000 0.165 0.000 0.991 672 A HN 1.163 nan 8.150 nan 0.000 0.503 673 A N 1.543 124.517 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.260 673 A C 0.383 178.207 177.584 0.400 0.000 1.168 673 A CA 0.757 52.962 52.037 0.280 0.000 1.253 673 A CB -2.607 16.494 19.000 0.168 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.891 121.958 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.068 0.000 1.077 674 F CA 0.741 58.787 58.000 0.078 0.000 1.268 674 F CB 0.432 39.379 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.320 123.379 120.500 -0.734 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.772 176.563 176.300 -0.847 0.000 0.990 675 R CA 0.388 56.131 56.100 -0.596 0.000 1.048 675 R CB 0.070 30.096 30.300 -0.455 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.151 107.637 108.800 -1.686 0.000 2.362 676 G HA2 0.032 3.992 3.960 -0.000 0.000 0.288 676 G HA3 0.032 3.992 3.960 -0.000 0.000 0.288 676 G C -1.848 172.528 174.900 -0.874 0.000 1.305 676 G CA -0.957 43.422 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.107 121.097 121.300 -0.159 0.000 2.706 677 W HA 0.748 5.408 4.660 -0.000 0.000 0.346 677 W C 0.126 176.597 176.519 -0.080 0.000 1.071 677 W CA -0.312 56.976 57.345 -0.095 0.000 1.206 677 W CB 2.446 31.894 29.460 -0.021 0.000 1.413 677 W HN 1.239 nan 8.180 nan 0.000 0.542 678 A N 2.927 125.826 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 678 A C -1.615 175.948 177.584 -0.036 0.000 1.040 678 A CA -0.535 51.472 52.037 -0.051 0.000 0.697 678 A CB 1.477 20.356 19.000 -0.202 0.000 1.265 678 A HN 0.646 nan 8.150 nan 0.000 0.407 679 F N -0.601 119.207 119.950 -0.238 0.000 2.693 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 679 F C -0.244 175.318 175.800 -0.396 0.000 1.129 679 F CA -0.388 57.405 58.000 -0.344 0.000 0.948 679 F CB 1.193 40.047 39.000 -0.244 0.000 1.315 679 F HN 0.678 nan 8.300 nan 0.000 0.447 680 T N -0.460 114.015 114.554 -0.131 0.000 2.618 680 T HA 0.634 4.984 4.350 -0.000 0.000 0.293 680 T C -1.683 173.260 174.700 0.404 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.037 0.000 1.061 680 T CB 1.990 70.604 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.250 120.939 120.500 0.316 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.911 174.443 176.300 0.090 0.000 1.039 681 R CA -0.647 55.573 56.100 0.201 0.000 0.909 681 R CB 0.954 31.277 30.300 0.038 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.253 123.535 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.342 176.538 176.870 0.016 0.000 1.016 682 L CA -1.173 53.711 54.840 0.073 0.000 0.821 682 L CB 1.881 44.028 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.128 120.282 120.400 0.016 0.000 2.201 683 K HA 0.280 4.600 4.320 -0.000 0.000 0.278 683 K C 0.542 177.134 176.600 -0.014 0.000 1.027 683 K CA -0.370 55.918 56.287 0.002 0.000 0.909 683 K CB 1.578 34.091 32.500 0.023 0.000 1.062 683 K HN 0.586 nan 8.250 nan 0.000 0.465 684 T N 2.069 116.611 114.554 -0.019 0.000 2.759 684 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 684 T C 2.303 176.993 174.700 -0.016 0.000 1.042 684 T CA 2.108 64.195 62.100 -0.022 0.000 1.140 684 T CB -0.134 68.722 68.868 -0.020 0.000 0.864 684 T HN 0.752 nan 8.240 nan 0.000 0.455 685 K N 1.618 121.990 120.400 -0.047 0.000 2.147 685 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 685 K C 1.746 178.217 176.600 -0.215 0.000 1.049 685 K CA 1.566 57.799 56.287 -0.090 0.000 0.936 685 K CB -0.761 31.667 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.227 120.264 120.200 -0.272 0.000 2.437 686 E HA 0.065 4.415 4.350 -0.000 0.000 0.189 686 E C -0.471 176.175 176.600 0.077 0.000 1.054 686 E CA 0.017 56.195 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.316 0.000 1.011 686 E HN 0.364 nan 8.360 nan 0.000 0.474 687 T N 3.458 118.061 114.554 0.082 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.129 174.700 -0.146 0.000 1.140 687 T CA -1.691 60.397 62.100 -0.019 0.000 1.040 687 T CB 1.074 69.877 68.868 -0.109 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.111 nan 4.420 nan 0.000 0.268 688 P C -0.009 177.028 177.300 -0.438 0.000 1.208 688 P CA -0.256 62.301 63.100 -0.905 0.000 0.777 688 P CB 0.561 31.490 31.700 -1.285 0.000 0.875 689 S N 1.467 116.967 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 689 S C 0.938 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.639 57.432 58.200 -0.214 0.000 1.050 689 S CB -0.618 62.507 63.200 -0.125 0.000 0.937 689 S HN 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.421 125.546 121.223 -0.164 0.000 2.640 690 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 690 L C 2.056 178.908 176.870 -0.030 0.000 1.123 690 L CA 0.077 54.869 54.840 -0.081 0.000 0.900 690 L CB -0.206 41.827 42.059 -0.043 0.000 1.146 690 L HN 0.849 nan 8.230 nan 0.000 0.484 691 G N 0.523 109.292 108.800 -0.051 0.000 3.340 691 G HA2 0.147 4.107 3.960 -0.000 0.000 0.240 691 G HA3 0.147 4.107 3.960 -0.000 0.000 0.240 691 G C 0.203 175.092 174.900 -0.018 0.000 1.327 691 G CA 0.624 45.708 45.100 -0.027 0.000 1.170 691 G HN 0.387 nan 8.290 nan 0.000 0.520 692 S N -3.549 112.147 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.864 175.490 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.760 63.942 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.238 108.595 108.800 0.056 0.000 2.509 693 G HA2 0.182 4.142 3.960 -0.000 0.000 0.218 693 G HA3 0.182 4.142 3.960 -0.000 0.000 0.218 693 G C -0.042 174.847 174.900 -0.018 0.000 1.124 693 G CA 1.099 46.308 45.100 0.182 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.430 119.637 120.300 -0.389 0.000 2.442 694 Y HA 0.432 4.982 4.550 -0.000 0.000 0.330 694 Y C -2.063 173.680 175.900 -0.261 0.000 1.100 694 Y CA -1.586 56.249 58.100 -0.442 0.000 1.034 694 Y CB 2.116 40.034 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.019 127.987 120.400 -0.721 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.952 173.979 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.193 54.000 -0.500 0.000 0.883 695 D CB 1.788 42.399 40.800 -0.316 0.000 1.029 695 D HN 0.324 nan 8.370 nan 0.000 0.517 696 P HA -0.139 nan 4.420 nan 0.000 0.219 696 P C 0.495 177.590 177.300 -0.342 0.000 1.146 696 P CA 1.002 63.868 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.364 31.700 -0.534 0.000 0.779 697 Y N -3.164 117.130 120.300 -0.010 0.000 2.470 697 Y HA 0.185 4.735 4.550 -0.000 0.000 0.284 697 Y C 0.761 176.707 175.900 0.077 0.000 1.188 697 Y CA -0.983 57.133 58.100 0.025 0.000 1.269 697 Y CB -1.175 37.296 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.444 122.732 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 698 Y C 0.621 176.538 175.900 0.028 0.000 1.025 698 Y CA -1.384 56.714 58.100 -0.004 0.000 1.295 698 Y CB 0.245 38.658 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.131 117.598 114.554 -0.143 0.000 3.350 699 T HA 0.302 4.652 4.350 -0.000 0.000 0.246 699 T C -1.081 173.531 174.700 -0.147 0.000 1.284 699 T CA -0.489 61.532 62.100 -0.130 0.000 1.329 699 T CB -0.781 68.073 68.868 -0.024 0.000 1.033 699 T HN 0.490 nan 8.240 nan 0.000 0.632 700 Y N 0.863 120.814 120.300 -0.582 0.000 2.519 700 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 700 Y C -0.123 175.531 175.900 -0.410 0.000 1.089 700 Y CA -0.792 57.044 58.100 -0.439 0.000 1.025 700 Y CB 2.041 40.252 38.460 -0.416 0.000 1.318 700 Y HN 0.226 nan 8.280 nan 0.000 0.452 701 S N 1.876 117.045 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.397 174.606 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.825 58.200 -0.586 0.000 1.067 701 S CB 0.086 63.120 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.056 110.024 108.800 -1.385 0.000 2.509 702 G HA2 0.481 4.441 3.960 -0.000 0.000 0.269 702 G HA3 0.481 4.441 3.960 -0.000 0.000 0.269 702 G C 0.074 174.965 174.900 -0.013 0.000 1.416 702 G CA -0.145 44.640 45.100 -0.525 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.308 114.534 115.700 0.237 0.000 2.568 703 S HA 0.280 4.750 4.470 -0.000 0.000 0.282 703 S C -0.023 174.799 174.600 0.371 0.000 1.338 703 S CA -0.275 58.073 58.200 0.247 0.000 1.045 703 S CB 0.380 63.705 63.200 0.209 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.306 125.028 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.842 174.362 176.117 0.145 0.000 1.078 704 I CA -2.356 59.108 61.300 0.272 0.000 1.184 704 I CB 1.495 39.660 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.283 nan 4.420 nan 0.000 0.218 705 P C 1.565 178.869 177.300 0.008 0.000 1.154 705 P CA 1.633 64.705 63.100 -0.047 0.000 0.872 705 P CB 0.024 31.838 31.700 0.189 0.000 0.790 706 Y N 0.007 120.380 120.300 0.123 0.000 2.256 706 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 706 Y C 1.967 177.916 175.900 0.082 0.000 1.155 706 Y CA 1.557 59.727 58.100 0.117 0.000 1.203 706 Y CB -0.668 37.745 38.460 -0.080 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.824 120.431 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 707 L C 1.645 178.472 176.870 -0.072 0.000 1.061 707 L CA 0.844 55.676 54.840 -0.012 0.000 0.834 707 L CB -0.219 41.908 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.880 119.450 120.400 -0.116 0.000 2.366 708 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 708 D C 1.471 177.561 176.300 -0.351 0.000 1.022 708 D CA 0.816 54.712 54.000 -0.172 0.000 0.868 708 D CB 0.329 41.064 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.231 108.646 108.800 -0.641 0.000 2.141 709 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G C 0.671 175.058 174.900 -0.854 0.000 0.984 709 G CA 0.456 44.944 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.357 113.758 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 -0.000 0.000 0.231 710 T C 0.599 175.292 174.700 -0.012 0.000 0.865 710 T CA -0.538 61.164 62.100 -0.663 0.000 0.926 710 T CB -0.655 67.595 68.868 -1.031 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.834 122.936 119.950 0.253 0.000 2.572 711 F HA 0.279 4.806 4.527 -0.000 0.000 0.370 711 F C 1.015 177.102 175.800 0.479 0.000 1.103 711 F CA -1.065 57.105 58.000 0.283 0.000 1.286 711 F CB 0.014 39.086 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.489 120.094 120.300 0.471 0.000 2.890 712 Y HA 0.500 5.050 4.550 -0.000 0.000 0.266 712 Y C -0.328 175.765 175.900 0.322 0.000 1.090 712 Y CA -0.420 57.912 58.100 0.387 0.000 1.258 712 Y CB -0.770 37.904 38.460 0.358 0.000 1.346 712 Y HN 0.383 nan 8.280 nan 0.000 0.578 713 L N 0.860 122.032 121.223 -0.084 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.913 177.683 176.870 -0.168 0.000 1.232 713 L CA -0.099 54.594 54.840 -0.245 0.000 1.031 713 L CB 0.115 41.969 42.059 -0.342 0.000 1.379 713 L HN 0.173 nan 8.230 nan 0.000 0.563 714 N N 0.589 119.324 118.700 0.058 0.000 2.364 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 714 N C 1.661 177.539 175.510 0.613 0.000 1.022 714 N CA 1.042 54.245 53.050 0.255 0.000 0.883 714 N CB -0.097 38.193 38.487 -0.328 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.690 118.590 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.079 176.447 175.328 0.067 0.000 0.996 715 H CA 1.170 57.265 56.048 0.078 0.000 1.157 715 H CB -0.484 29.105 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.398 112.037 114.554 -0.199 0.000 3.107 716 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 716 T C 0.251 174.871 174.700 -0.134 0.000 1.096 716 T CA -0.520 61.465 62.100 -0.192 0.000 1.012 716 T CB -0.658 68.002 68.868 -0.346 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.581 121.606 119.950 0.125 0.000 2.412 717 F HA 0.521 5.048 4.527 -0.000 0.000 0.348 717 F C 1.500 177.305 175.800 0.008 0.000 1.102 717 F CA -0.721 57.351 58.000 0.120 0.000 1.196 717 F CB 1.507 40.656 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.565 122.043 120.400 0.130 0.000 2.225 718 K HA 0.162 4.482 4.320 -0.000 0.000 0.204 718 K C -0.389 176.188 176.600 -0.037 0.000 1.047 718 K CA 0.495 56.803 56.287 0.035 0.000 0.970 718 K CB 0.477 32.989 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.098 119.287 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.494 175.016 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.105 0.000 0.882 719 K CB 2.149 34.605 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.211 119.578 119.914 -0.209 0.000 2.733 720 V HA 0.775 4.895 4.120 -0.000 0.000 0.306 720 V C -1.146 174.819 176.094 -0.214 0.000 1.084 720 V CA -0.748 61.302 62.300 -0.418 0.000 0.905 720 V CB 1.535 32.975 31.823 -0.639 0.000 1.010 720 V HN 0.973 nan 8.190 nan 0.000 0.424 721 A N 5.613 128.247 122.820 -0.310 0.000 2.304 721 A HA 0.924 5.244 4.320 -0.000 0.000 0.314 721 A C -0.848 176.599 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.167 0.000 0.810 721 A CB 0.695 19.617 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.294 122.803 120.570 -0.102 0.000 2.404 722 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 722 I C -0.365 175.729 176.117 -0.038 0.000 0.992 722 I CA -0.101 61.098 61.300 -0.169 0.000 1.149 722 I CB 2.378 40.255 38.000 -0.206 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.808 119.274 114.554 -0.147 0.000 2.928 723 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 723 T C -0.670 173.948 174.700 -0.136 0.000 1.000 723 T CA -0.572 61.506 62.100 -0.038 0.000 0.989 723 T CB 1.048 69.911 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.000 122.004 119.950 0.090 0.000 2.399 724 F HA 0.354 4.881 4.527 -0.000 0.000 0.334 724 F C 0.861 176.729 175.800 0.112 0.000 1.097 724 F CA -0.494 57.551 58.000 0.075 0.000 1.076 724 F CB 0.859 39.915 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.519 123.116 120.400 0.328 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.266 177.653 176.300 0.144 0.000 1.155 725 D CA 1.340 55.476 54.000 0.228 0.000 0.649 725 D CB -1.277 39.669 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.287 113.478 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.538 176.182 174.600 0.072 0.000 1.304 726 S CA 2.950 61.194 58.200 0.072 0.000 1.224 726 S CB -1.692 61.544 63.200 0.061 0.000 1.480 726 S HN 1.045 nan 8.310 nan 0.000 0.698 727 S N -2.398 113.362 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 -0.000 0.000 0.264 727 S C 0.214 174.877 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.076 63.321 63.200 0.076 0.000 0.882 727 S HN 1.027 nan 8.310 nan 0.000 0.466 728 V N 3.285 123.293 119.914 0.157 0.000 2.455 728 V HA 0.506 4.626 4.120 -0.000 0.000 0.273 728 V C 0.269 176.508 176.094 0.241 0.000 1.045 728 V CA -0.284 62.133 62.300 0.194 0.000 0.976 728 V CB 1.007 32.969 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.138 120.950 115.700 0.187 0.000 2.465 729 S HA 0.387 4.857 4.470 -0.000 0.000 0.279 729 S C -0.826 173.942 174.600 0.280 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.137 63.388 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.477 128.906 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.034 174.653 176.519 0.280 0.000 1.062 730 W CA -2.196 55.338 57.345 0.315 0.000 1.210 730 W CB 1.514 31.314 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.136 nan 4.420 nan 0.000 0.245 731 P C 0.973 178.021 177.300 -0.420 0.000 1.206 731 P CA 1.061 63.483 63.100 -1.130 0.000 0.781 731 P CB 0.312 31.278 31.700 -1.224 0.000 0.994 732 G N 1.650 110.327 108.800 -0.204 0.000 2.594 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G C 0.484 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.476 45.508 45.100 -0.113 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.552 733 N N -0.064 118.580 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.732 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.478 55.473 53.050 -0.092 0.000 0.812 733 N CB -0.756 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.357 nan 8.380 nan 0.000 0.572 734 D N -1.822 118.526 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 734 D C 1.228 177.481 176.300 -0.080 0.000 1.158 734 D CA 1.157 55.114 54.000 -0.073 0.000 0.805 734 D CB -0.388 40.382 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.361 120.076 120.500 -0.104 0.000 2.062 735 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 735 R C 1.300 177.563 176.300 -0.062 0.000 1.136 735 R CA 0.748 56.800 56.100 -0.080 0.000 0.948 735 R CB -0.263 29.979 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.126 122.279 121.223 -0.117 0.000 2.421 736 L HA 0.146 4.486 4.340 -0.000 0.000 0.263 736 L C 1.994 178.779 176.870 -0.142 0.000 1.122 736 L CA -0.443 54.312 54.840 -0.141 0.000 0.804 736 L CB 0.486 42.395 42.059 -0.249 0.000 1.150 736 L HN 0.009 nan 8.230 nan 0.000 0.457 737 L N 0.548 121.659 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 737 L C 1.260 178.052 176.870 -0.130 0.000 1.089 737 L CA 1.535 56.220 54.840 -0.257 0.000 0.757 737 L CB -0.486 41.192 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.428 110.057 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.629 173.002 174.700 -0.114 0.000 1.640 738 T CA -1.770 60.300 62.100 -0.049 0.000 1.631 738 T CB 0.661 69.534 68.868 0.007 0.000 0.928 738 T HN -0.099 nan 8.240 nan 0.000 0.688 739 P HA -0.197 nan 4.420 nan 0.000 0.219 739 P C 1.079 178.290 177.300 -0.150 0.000 1.151 739 P CA 1.304 64.319 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.021 118.617 118.700 -0.103 0.000 2.515 740 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 740 N C 0.598 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.672 53.674 53.050 -0.080 0.000 0.903 740 N CB 0.127 38.589 38.487 -0.042 0.000 0.969 740 N HN 0.547 nan 8.380 nan 0.000 0.450 741 E N -1.602 118.502 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.932 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.531 56.400 -0.142 0.000 0.863 741 E CB 0.249 29.906 29.700 -0.072 0.000 1.346 741 E HN -0.225 nan 8.360 nan 0.000 0.443 742 F N 1.207 121.111 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 -0.000 0.000 0.362 742 F C 0.240 175.948 175.800 -0.152 0.000 1.129 742 F CA -0.277 57.694 58.000 -0.049 0.000 1.154 742 F CB 1.180 40.198 39.000 0.029 0.000 1.205 742 F HN 0.280 nan 8.300 nan 0.000 0.513 743 E N 4.093 124.299 120.200 0.010 0.000 2.089 743 E HA 0.203 4.553 4.350 -0.000 0.000 0.284 743 E C 0.749 177.249 176.600 -0.167 0.000 1.023 743 E CA -0.144 56.219 56.400 -0.062 0.000 0.819 743 E CB 1.052 30.751 29.700 -0.002 0.000 1.076 743 E HN 0.666 nan 8.360 nan 0.000 0.396 744 I N 3.544 123.866 120.570 -0.413 0.000 2.353 744 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 744 I C 0.609 176.590 176.117 -0.227 0.000 1.119 744 I CA 1.241 62.077 61.300 -0.775 0.000 1.417 744 I CB 0.040 37.387 38.000 -1.089 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.179 120.205 120.400 -0.027 0.000 2.568 745 K HA 0.700 5.020 4.320 -0.000 0.000 0.273 745 K C -0.969 175.694 176.600 0.106 0.000 0.951 745 K CA -0.927 55.441 56.287 0.135 0.000 0.854 745 K CB 1.775 34.455 32.500 0.300 0.000 1.424 745 K HN -0.204 nan 8.250 nan 0.000 0.427 746 R N 0.464 121.043 120.500 0.131 0.000 2.740 746 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 746 R C -0.843 175.516 176.300 0.099 0.000 0.969 746 R CA -0.590 55.571 56.100 0.102 0.000 0.918 746 R CB 2.124 32.487 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.803 117.546 115.700 0.071 0.000 2.461 747 S HA 0.408 4.878 4.470 -0.000 0.000 0.322 747 S C 1.165 175.793 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.363 63.594 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.325 121.269 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 -0.000 0.000 0.092 748 V C 2.369 178.473 176.094 0.015 0.000 1.994 748 V CA 3.186 65.505 62.300 0.032 0.000 3.465 748 V CB -2.147 29.690 31.823 0.023 0.000 0.759 748 V HN 0.916 nan 8.190 nan 0.000 0.788 749 D N 0.370 120.776 120.400 0.008 0.000 2.228 749 D HA 0.111 4.752 4.640 -0.000 0.000 0.203 749 D C 1.785 178.069 176.300 -0.027 0.000 0.988 749 D CA 2.064 56.058 54.000 -0.009 0.000 0.864 749 D CB -0.577 40.218 40.800 -0.008 0.000 0.928 749 D HN 1.226 nan 8.370 nan 0.000 0.469 750 G N -1.206 107.588 108.800 -0.010 0.000 3.690 750 G HA2 0.263 4.223 3.960 -0.000 0.000 0.283 750 G HA3 0.263 4.223 3.960 -0.000 0.000 0.283 750 G C 1.038 175.940 174.900 0.003 0.000 1.057 750 G CA 0.478 45.559 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.655 121.864 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.751 58.175 56.400 0.040 0.000 0.882 751 E CB -0.852 28.864 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.438 108.370 108.800 0.013 0.000 2.550 752 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.222 752 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.222 752 G C 1.227 176.252 174.900 0.209 0.000 1.113 752 G CA 1.191 46.318 45.100 0.045 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.977 121.296 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 -0.000 0.000 0.281 753 Y C 1.038 176.965 175.900 0.045 0.000 1.174 753 Y CA -1.115 57.007 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.065 38.460 0.034 0.000 1.062 753 Y HN 0.094 nan 8.280 nan 0.000 0.522 754 N N -0.534 118.283 118.700 0.194 0.000 2.434 754 N HA 0.386 5.126 4.740 -0.000 0.000 0.266 754 N C -0.430 175.122 175.510 0.069 0.000 1.223 754 N CA -0.115 53.011 53.050 0.126 0.000 0.972 754 N CB 2.207 40.766 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.082 118.839 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.437 175.576 176.094 -0.135 0.000 1.310 755 V CA 0.026 62.271 62.300 -0.092 0.000 1.067 755 V CB 1.342 33.046 31.823 -0.199 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.690 124.370 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.766 178.335 177.584 -0.025 0.000 1.393 756 A CA 2.041 53.973 52.037 -0.174 0.000 0.909 756 A CB -2.282 16.573 19.000 -0.242 0.000 1.012 756 A HN 1.698 nan 8.150 nan 0.000 0.653 757 Q N -4.397 115.401 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.309 176.348 176.000 0.065 0.000 1.127 757 Q CA 1.207 57.027 55.803 0.029 0.000 0.952 757 Q CB -2.745 26.003 28.738 0.018 0.000 1.333 757 Q HN 2.175 nan 8.270 nan 0.000 0.494 758 C N -2.377 116.983 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.196 176.310 174.990 0.207 0.000 1.694 758 C CA -0.196 58.926 59.018 0.173 0.000 1.244 758 C CB 0.899 28.767 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.677 119.562 118.700 0.309 0.000 2.370 759 N HA 0.073 4.813 4.740 -0.000 0.000 0.198 759 N C 0.146 175.844 175.510 0.314 0.000 1.156 759 N CA -0.017 53.206 53.050 0.289 0.000 0.839 759 N CB -0.243 38.412 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.652 121.417 119.600 0.275 0.000 2.242 760 M HA 0.098 4.578 4.480 -0.000 0.000 0.344 760 M C 0.162 176.546 176.300 0.141 0.000 1.140 760 M CA -0.305 55.100 55.300 0.176 0.000 1.160 760 M CB 0.941 33.549 32.600 0.013 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.096 115.741 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.748 175.521 174.700 0.122 0.000 1.004 761 T CA -0.636 61.546 62.100 0.136 0.000 1.043 761 T CB 1.147 70.091 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.556 121.002 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 762 K C 1.854 178.510 176.600 0.093 0.000 1.049 762 K CA 1.662 57.993 56.287 0.074 0.000 0.931 762 K CB -0.206 32.317 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.175 120.595 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.817 176.300 0.048 0.000 0.997 763 D CA 0.923 54.931 54.000 0.013 0.000 0.834 763 D CB -0.281 40.506 40.800 -0.021 0.000 0.956 763 D HN 0.365 nan 8.370 nan 0.000 0.448 764 W N 0.379 121.617 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 764 W C 2.129 178.502 176.519 -0.243 0.000 1.208 764 W CA 0.511 57.746 57.345 -0.184 0.000 1.274 764 W CB -0.545 28.790 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.265 121.074 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 765 F C 2.273 177.866 175.800 -0.344 0.000 1.089 765 F CA 1.891 59.667 58.000 -0.373 0.000 1.282 765 F CB -0.941 37.862 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.282 120.854 121.223 -0.144 0.000 2.027 766 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 766 L C 2.168 178.809 176.870 -0.382 0.000 1.074 766 L CA 1.704 56.490 54.840 -0.091 0.000 0.745 766 L CB -0.997 41.083 42.059 0.035 0.000 0.898 766 L HN 0.023 nan 8.230 nan 0.000 0.433 767 V N -0.278 119.310 119.914 -0.544 0.000 2.358 767 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 767 V C 2.691 178.292 176.094 -0.822 0.000 1.047 767 V CA 1.633 63.476 62.300 -0.762 0.000 1.035 767 V CB -0.796 30.478 31.823 -0.915 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.906 118.242 119.800 -1.088 0.000 2.084 768 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 768 Q C 2.245 177.756 176.000 -0.815 0.000 0.978 768 Q CA 1.331 56.429 55.803 -1.175 0.000 0.844 768 Q CB -0.449 27.175 28.738 -1.858 0.000 0.898 768 Q HN 0.471 nan 8.270 nan 0.000 0.426 769 M N -0.020 119.168 119.600 -0.686 0.000 2.132 769 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 769 M C 2.298 178.470 176.300 -0.213 0.000 1.065 769 M CA 1.137 56.247 55.300 -0.316 0.000 1.122 769 M CB -0.892 31.504 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.323 120.720 121.223 -0.299 0.000 2.044 770 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 770 L C 2.779 179.535 176.870 -0.190 0.000 1.075 770 L CA 1.148 55.858 54.840 -0.216 0.000 0.747 770 L CB -0.989 40.952 42.059 -0.197 0.000 0.903 770 L HN 0.239 nan 8.230 nan 0.000 0.435 771 A N 0.064 122.725 122.820 -0.264 0.000 1.940 771 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 771 A C 2.104 179.502 177.584 -0.310 0.000 1.176 771 A CA 2.074 53.963 52.037 -0.246 0.000 0.631 771 A CB -0.599 18.215 19.000 -0.310 0.000 0.814 771 A HN 0.507 nan 8.150 nan 0.000 0.446 772 N N -2.114 116.297 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.475 175.477 175.510 -0.846 0.000 1.019 772 N CA 1.493 54.077 53.050 -0.777 0.000 0.869 772 N CB 0.050 37.800 38.487 -1.228 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.792 119.434 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 -0.000 0.000 0.252 773 Y C 0.063 175.893 175.900 -0.117 0.000 1.132 773 Y CA -0.639 57.389 58.100 -0.121 0.000 1.228 773 Y CB 0.109 38.472 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.653 119.344 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 774 N C -0.724 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.820 53.860 53.050 -0.017 0.000 0.804 774 N CB -1.422 37.082 38.487 0.028 0.000 1.135 774 N HN 0.441 nan 8.380 nan 0.000 0.565 775 I N -0.623 119.883 120.570 -0.107 0.000 2.331 775 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 775 I C 1.464 177.388 176.117 -0.322 0.000 0.998 775 I CA 0.525 61.683 61.300 -0.236 0.000 1.267 775 I CB 1.499 39.258 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.976 112.508 108.800 -0.448 0.000 3.859 776 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.198 776 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.198 776 G C 0.422 174.917 174.900 -0.675 0.000 0.972 776 G CA -0.212 44.452 45.100 -0.726 0.000 0.882 776 G HN 0.458 nan 8.290 nan 0.000 0.364 777 Y N 1.415 121.592 120.300 -0.205 0.000 2.519 777 Y HA 0.339 4.889 4.550 -0.000 0.000 0.287 777 Y C 2.178 178.005 175.900 -0.122 0.000 1.128 777 Y CA 1.122 59.136 58.100 -0.143 0.000 1.282 777 Y CB 0.437 38.851 38.460 -0.077 0.000 1.027 777 Y HN 0.244 nan 8.280 nan 0.000 0.551 778 Q N 0.068 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.080 176.097 176.000 0.028 0.000 0.899 778 Q CA -0.039 55.782 55.803 0.031 0.000 1.139 778 Q CB 0.949 29.731 28.738 0.072 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.598 109.334 108.800 -0.107 0.000 2.690 779 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G C -1.118 173.696 174.900 -0.144 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.155 nan 8.290 nan 0.000 0.613 780 F N 1.233 121.248 119.950 0.107 0.000 2.421 780 F HA 0.826 5.353 4.527 -0.000 0.000 0.337 780 F C 0.708 176.556 175.800 0.080 0.000 1.105 780 F CA -0.236 57.760 58.000 -0.005 0.000 1.049 780 F CB 1.627 40.711 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.199 120.181 120.300 0.134 0.000 2.689 781 Y HA 0.623 5.173 4.550 -0.000 0.000 0.333 781 Y C -1.126 174.637 175.900 -0.230 0.000 1.208 781 Y CA -2.126 55.963 58.100 -0.018 0.000 1.055 781 Y CB 0.453 38.888 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.309 124.807 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 782 I C -2.021 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.476 59.514 61.300 -0.517 0.000 1.420 782 I CB 0.352 38.170 38.000 -0.304 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.128 nan 4.420 nan 0.000 0.269 783 P C -0.221 176.853 177.300 -0.376 0.000 1.215 783 P CA -0.208 62.510 63.100 -0.636 0.000 0.780 783 P CB 0.308 31.254 31.700 -1.256 0.000 0.898 784 E N 0.967 120.989 120.200 -0.297 0.000 2.415 784 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 784 E C 1.337 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.230 56.466 56.400 -0.273 0.000 0.915 784 E CB -0.720 28.780 29.700 -0.333 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.015 116.633 115.700 -0.138 0.000 2.389 785 S HA -0.318 4.152 4.470 -0.000 0.000 0.231 785 S C 1.953 176.532 174.600 -0.035 0.000 1.052 785 S CA 2.090 60.259 58.200 -0.052 0.000 1.053 785 S CB -0.960 62.257 63.200 0.028 0.000 0.886 785 S HN 0.988 nan 8.310 nan 0.000 0.456 786 Y N 1.795 122.109 120.300 0.024 0.000 2.497 786 Y HA 0.185 4.735 4.550 -0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.523 58.643 58.100 0.034 0.000 1.285 786 Y CB -0.534 37.941 38.460 0.024 0.000 0.991 786 Y HN 0.127 nan 8.280 nan 0.000 0.556 787 K N -0.313 119.823 120.400 -0.440 0.000 2.352 787 K HA 0.014 4.334 4.320 -0.000 0.000 0.194 787 K C -0.211 176.464 176.600 0.126 0.000 1.038 787 K CA 0.590 56.791 56.287 -0.143 0.000 1.023 787 K CB 0.240 32.625 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.303 122.738 120.400 0.059 0.000 2.518 788 D HA 0.056 4.696 4.640 -0.000 0.000 0.230 788 D C -0.140 176.232 176.300 0.120 0.000 1.138 788 D CA -0.309 53.795 54.000 0.175 0.000 0.964 788 D CB 0.318 41.144 40.800 0.043 0.000 1.011 788 D HN -0.006 nan 8.370 nan 0.000 0.517 789 R N 1.937 122.513 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 -0.000 0.000 0.244 789 R C 1.554 177.863 176.300 0.015 0.000 1.241 789 R CA -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.111 30.230 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.668 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 790 M C 0.615 176.736 176.300 -0.298 0.000 1.069 790 M CA 2.041 57.167 55.300 -0.291 0.000 1.102 790 M CB -0.033 32.234 32.600 -0.554 0.000 1.336 790 M HN 0.445 nan 8.290 nan 0.000 0.404 791 Y N -0.235 120.096 120.300 0.052 0.000 2.532 791 Y HA 0.299 4.849 4.550 -0.000 0.000 0.283 791 Y C 0.832 176.782 175.900 0.083 0.000 1.181 791 Y CA -0.512 57.630 58.100 0.070 0.000 1.256 791 Y CB -0.394 38.103 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.050 115.863 115.700 0.190 0.000 2.645 792 S HA 0.080 4.550 4.470 -0.000 0.000 0.266 792 S C 0.949 175.695 174.600 0.244 0.000 1.258 792 S CA -0.678 57.643 58.200 0.202 0.000 0.990 792 S CB 0.588 63.937 63.200 0.247 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.550 121.579 119.950 0.131 0.000 2.022 793 F HA -0.054 4.473 4.527 -0.000 0.000 0.293 793 F C 1.847 177.813 175.800 0.277 0.000 1.142 793 F CA 1.418 59.510 58.000 0.153 0.000 1.177 793 F CB -0.812 38.219 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.556 121.398 119.950 -0.181 0.000 2.043 794 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 794 F C 2.840 178.575 175.800 -0.109 0.000 1.121 794 F CA 2.564 60.394 58.000 -0.283 0.000 1.199 794 F CB -0.719 38.222 39.000 -0.099 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.504 121.067 120.500 0.105 0.000 2.170 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 795 R C 1.341 177.595 176.300 -0.077 0.000 1.145 795 R CA 2.095 58.206 56.100 0.019 0.000 0.984 795 R CB -0.495 29.856 30.300 0.086 0.000 0.869 795 R HN 0.349 nan 8.270 nan 0.000 0.455 796 N N -0.659 118.005 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.725 174.782 175.510 -0.005 0.000 1.114 796 N CA -0.016 53.030 53.050 -0.006 0.000 0.859 796 N CB 0.298 38.837 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.132 122.869 119.950 -0.354 0.000 2.472 797 F HA 0.178 4.705 4.527 -0.000 0.000 0.364 797 F C -0.140 175.523 175.800 -0.229 0.000 1.090 797 F CA -0.186 57.612 58.000 -0.336 0.000 1.188 797 F CB 0.546 39.129 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.620 128.102 119.800 -0.530 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.702 173.010 176.000 -0.481 0.000 0.997 798 Q CA -1.984 53.535 55.803 -0.474 0.000 0.709 798 Q CB 1.622 30.239 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.526 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.236 62.670 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.514 31.700 -0.322 0.000 0.940 800 M N 1.121 120.719 119.600 -0.003 0.000 2.572 800 M HA 0.531 5.011 4.480 -0.000 0.000 0.299 800 M C -0.309 176.174 176.300 0.306 0.000 1.205 800 M CA -0.312 55.047 55.300 0.097 0.000 0.876 800 M CB 2.603 35.178 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.384 116.325 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.500 173.182 174.600 0.137 0.000 1.135 801 S CA -0.936 57.451 58.200 0.313 0.000 0.858 801 S CB 2.586 65.868 63.200 0.137 0.000 1.114 801 S HN 0.781 nan 8.310 nan 0.000 0.468 802 R N 0.765 121.148 120.500 -0.195 0.000 2.728 802 R HA 0.665 5.005 4.340 -0.000 0.000 0.274 802 R C -2.231 173.855 176.300 -0.358 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.685 30.428 30.300 -0.928 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.373 120.000 119.800 -0.290 0.000 2.377 803 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 803 Q C -1.125 174.741 176.000 -0.224 0.000 1.077 803 Q CA -0.752 54.921 55.803 -0.217 0.000 0.820 803 Q CB 2.942 31.593 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.745 118.057 119.914 -0.187 0.000 3.078 804 V HA 0.735 4.855 4.120 -0.000 0.000 0.311 804 V C -0.269 175.740 176.094 -0.142 0.000 1.138 804 V CA -1.373 60.836 62.300 -0.152 0.000 1.007 804 V CB 1.393 33.131 31.823 -0.142 0.000 1.045 804 V HN 0.588 nan 8.190 nan 0.000 0.432 805 V N 0.055 119.891 119.914 -0.129 0.000 2.694 805 V HA 0.192 4.312 4.120 -0.000 0.000 0.306 805 V C 0.393 176.361 176.094 -0.209 0.000 1.054 805 V CA 0.295 62.471 62.300 -0.206 0.000 1.161 805 V CB 0.208 31.897 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.749 124.027 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.349 53.542 54.000 -0.181 0.000 0.882 806 D CB 0.989 41.722 40.800 -0.111 0.000 1.038 806 D HN 0.783 nan 8.370 nan 0.000 0.499 807 D N 1.593 121.732 120.400 -0.435 0.000 2.265 807 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 807 D C 1.342 177.442 176.300 -0.333 0.000 0.977 807 D CA 0.959 54.500 54.000 -0.764 0.000 0.871 807 D CB -0.312 39.953 40.800 -0.893 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.221 110.228 114.554 -0.176 0.000 3.069 808 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 808 T C 1.540 176.214 174.700 -0.044 0.000 1.053 808 T CA 0.745 62.796 62.100 -0.082 0.000 0.964 808 T CB 0.309 69.140 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.052 120.430 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.653 4.320 -0.000 0.000 0.211 809 K C 0.229 176.860 176.600 0.052 0.000 1.259 809 K CA -0.235 56.052 56.287 -0.001 0.000 0.983 809 K CB -0.311 32.184 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.259 123.505 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 -0.000 0.000 0.354 810 Y C 1.682 177.574 175.900 -0.014 0.000 1.024 810 Y CA -0.199 57.856 58.100 -0.075 0.000 1.321 810 Y CB 0.352 38.727 38.460 -0.141 0.000 1.151 810 Y HN 0.332 nan 8.280 nan 0.000 0.525 811 K N 2.989 123.222 120.400 -0.279 0.000 2.097 811 K HA -0.227 4.093 4.320 -0.000 0.000 0.214 811 K C 1.062 177.429 176.600 -0.389 0.000 1.052 811 K CA 2.527 58.648 56.287 -0.278 0.000 0.932 811 K CB -0.729 31.654 32.500 -0.194 0.000 0.716 811 K HN 0.805 nan 8.250 nan 0.000 0.455 812 D N -1.566 118.340 120.400 -0.823 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.098 176.205 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.622 39.921 40.800 -0.428 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.351 122.425 120.300 -0.376 0.000 2.904 813 Y HA -0.077 4.473 4.550 -0.000 0.000 0.336 813 Y C 0.073 176.051 175.900 0.129 0.000 1.263 813 Y CA 0.565 58.685 58.100 0.034 0.000 1.547 813 Y CB 0.368 38.866 38.460 0.063 0.000 1.272 813 Y HN -0.170 nan 8.280 nan 0.000 0.596 814 Q N 5.424 124.844 119.800 -0.634 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.390 174.196 176.000 -0.689 0.000 1.015 814 Q CA -0.734 54.773 55.803 -0.493 0.000 0.775 814 Q CB 1.893 30.577 28.738 -0.089 0.000 1.256 814 Q HN 0.809 nan 8.270 nan 0.000 0.442 815 Q N 2.265 121.751 119.800 -0.523 0.000 2.452 815 Q HA 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.021 174.967 176.000 -0.020 0.000 1.180 815 Q CA -0.059 55.649 55.803 -0.158 0.000 0.914 815 Q CB 0.257 29.047 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.531 123.451 119.914 0.009 0.000 2.370 816 V HA 0.631 4.751 4.120 -0.000 0.000 0.283 816 V C 0.799 176.879 176.094 -0.024 0.000 1.023 816 V CA -0.533 61.772 62.300 0.009 0.000 0.857 816 V CB 1.284 33.092 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.594 111.390 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 -0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 -0.000 0.000 0.303 817 G C 0.863 175.670 174.900 -0.155 0.000 1.237 817 G CA -0.540 44.523 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.676 119.800 120.570 -0.158 0.000 2.194 818 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 818 I C 2.515 178.533 176.117 -0.165 0.000 1.093 818 I CA 1.167 62.365 61.300 -0.170 0.000 1.355 818 I CB -0.805 37.123 38.000 -0.120 0.000 1.046 818 I HN 0.335 nan 8.210 nan 0.000 0.413 819 L N -0.129 120.949 121.223 -0.241 0.000 2.197 819 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 819 L C 1.748 178.355 176.870 -0.439 0.000 1.095 819 L CA 1.830 56.449 54.840 -0.369 0.000 0.764 819 L CB -0.794 40.930 42.059 -0.558 0.000 0.897 819 L HN 0.494 nan 8.230 nan 0.000 0.436 820 H N -2.761 116.332 119.070 0.039 0.000 2.923 820 H HA 0.218 4.774 4.556 -0.000 0.000 0.268 820 H C 0.028 175.350 175.328 -0.011 0.000 1.148 820 H CA -0.420 55.652 56.048 0.041 0.000 1.146 820 H CB 0.478 30.246 29.762 0.011 0.000 1.607 820 H HN 0.300 nan 8.280 nan 0.000 0.566 821 Q N 2.145 121.934 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.352 175.661 176.000 0.021 0.000 0.915 821 Q CA -0.536 55.173 55.803 -0.155 0.000 0.915 821 Q CB 1.079 29.533 28.738 -0.472 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.972 120.073 119.070 0.052 0.000 2.744 822 H HA 0.528 5.084 4.556 -0.000 0.000 0.339 822 H C -1.436 173.953 175.328 0.102 0.000 1.004 822 H CA -0.902 55.201 56.048 0.091 0.000 1.257 822 H CB 1.309 31.116 29.762 0.075 0.000 1.552 822 H HN 0.489 nan 8.280 nan 0.000 0.522 823 N N 3.554 122.402 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.563 175.125 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.196 0.000 0.919 823 N CB 0.872 39.347 38.487 -0.020 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.142 118.737 118.700 0.298 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.574 175.179 175.510 0.405 0.000 0.969 824 N CA 1.071 54.338 53.050 0.363 0.000 0.941 824 N CB -1.447 37.218 38.487 0.296 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.566 115.312 115.700 0.296 0.000 2.558 825 S HA 0.363 4.833 4.470 -0.000 0.000 0.293 825 S C 1.623 176.217 174.600 -0.009 0.000 1.292 825 S CA 1.232 59.517 58.200 0.142 0.000 1.063 825 S CB 1.294 64.543 63.200 0.081 0.000 0.831 825 S HN 1.189 nan 8.310 nan 0.000 0.499 826 G N 2.251 110.945 108.800 -0.177 0.000 2.225 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 826 G C 0.192 174.653 174.900 -0.731 0.000 0.988 826 G CA 0.403 45.202 45.100 -0.503 0.000 0.625 826 G HN 0.865 nan 8.290 nan 0.000 0.527 827 F N -0.429 119.535 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 -0.000 0.000 0.323 827 F C 0.816 176.619 175.800 0.005 0.000 1.091 827 F CA -0.242 57.767 58.000 0.015 0.000 1.192 827 F CB 1.132 40.148 39.000 0.026 0.000 1.056 827 F HN 0.167 nan 8.300 nan 0.000 0.571 828 V N -0.400 119.594 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.258 176.370 176.094 0.030 0.000 1.115 828 V CA -1.087 61.258 62.300 0.075 0.000 0.998 828 V CB 1.920 33.807 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.788 109.582 108.800 -0.010 0.000 2.569 829 G HA2 0.326 4.286 3.960 -0.000 0.000 0.249 829 G HA3 0.326 4.286 3.960 -0.000 0.000 0.249 829 G C -1.258 173.678 174.900 0.061 0.000 1.216 829 G CA 0.011 45.103 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.409 121.672 120.300 -0.061 0.000 2.367 830 Y HA 0.374 4.924 4.550 -0.000 0.000 0.342 830 Y C 1.039 176.931 175.900 -0.013 0.000 0.979 830 Y CA -1.012 57.066 58.100 -0.038 0.000 1.161 830 Y CB 0.385 38.814 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.050 125.010 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.120 176.720 176.870 -0.050 0.000 1.177 831 L CA 0.967 55.594 54.840 -0.355 0.000 0.968 831 L CB -1.945 39.719 42.059 -0.659 0.000 1.933 831 L HN 0.794 nan 8.230 nan 0.000 0.976 832 A N -1.913 120.876 122.820 -0.052 0.000 2.567 832 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 832 A C -2.591 174.918 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.934 19.950 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.158 nan 4.420 nan 0.000 0.243 833 P C 0.492 177.668 177.300 -0.208 0.000 1.668 833 P CA 0.543 63.451 63.100 -0.320 0.000 0.898 833 P CB -0.669 30.791 31.700 -0.401 0.000 1.637 834 T N -4.043 110.421 114.554 -0.151 0.000 2.902 834 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 834 T C 0.609 175.224 174.700 -0.143 0.000 1.048 834 T CA -1.022 60.991 62.100 -0.144 0.000 0.941 834 T CB 0.366 69.142 68.868 -0.153 0.000 1.432 834 T HN -0.036 nan 8.240 nan 0.000 0.586 835 M N 1.662 121.167 119.600 -0.159 0.000 2.252 835 M HA 0.182 4.662 4.480 -0.000 0.000 0.329 835 M C 0.280 176.513 176.300 -0.111 0.000 1.101 835 M CA -0.585 54.633 55.300 -0.137 0.000 1.117 835 M CB 0.482 32.986 32.600 -0.162 0.000 1.563 835 M HN 0.753 nan 8.290 nan 0.000 0.445 836 R N 2.938 123.390 120.500 -0.081 0.000 2.734 836 R HA 0.282 4.622 4.340 -0.000 0.000 0.266 836 R C -1.008 175.234 176.300 -0.096 0.000 1.044 836 R CA 0.028 56.089 56.100 -0.066 0.000 1.128 836 R CB -0.004 30.273 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.565 119.576 120.200 -0.099 0.000 2.439 837 E HA 0.603 4.953 4.350 -0.000 0.000 0.279 837 E C -0.388 176.125 176.600 -0.145 0.000 1.077 837 E CA -1.061 55.266 56.400 -0.121 0.000 0.849 837 E CB 0.814 30.450 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.521 109.223 108.800 -0.164 0.000 2.545 838 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 838 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 838 G C -1.153 173.622 174.900 -0.209 0.000 1.314 838 G CA 0.022 45.011 45.100 -0.185 0.000 0.906 838 G HN 0.949 nan 8.290 nan 0.000 0.563 839 Q N -1.413 118.265 119.800 -0.203 0.000 2.435 839 Q HA 0.761 5.101 4.340 -0.000 0.000 0.282 839 Q C -0.148 175.788 176.000 -0.107 0.000 1.020 839 Q CA -0.446 55.245 55.803 -0.185 0.000 0.820 839 Q CB 1.573 30.243 28.738 -0.114 0.000 1.436 839 Q HN 2.273 nan 8.270 nan 0.000 0.395 840 A N 1.305 124.079 122.820 -0.078 0.000 2.555 840 A HA 0.401 4.721 4.320 -0.000 0.000 0.233 840 A C -1.101 176.640 177.584 0.262 0.000 1.060 840 A CA 0.698 52.821 52.037 0.142 0.000 0.759 840 A CB -0.054 19.076 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.387 120.741 120.300 0.089 0.000 2.554 841 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 841 Y C -2.452 173.520 175.900 0.120 0.000 1.247 841 Y CA -1.261 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.323 39.754 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.236 nan 4.420 nan 0.000 0.261 842 P C -0.631 176.807 177.300 0.230 0.000 1.183 842 P CA 0.334 63.456 63.100 0.036 0.000 0.761 842 P CB 0.365 32.018 31.700 -0.078 0.000 0.785 843 A N 3.552 126.459 122.820 0.145 0.000 2.466 843 A HA 0.112 4.432 4.320 -0.000 0.000 0.238 843 A C 1.172 178.744 177.584 -0.019 0.000 1.074 843 A CA -0.140 51.956 52.037 0.099 0.000 0.774 843 A CB -0.106 18.890 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.047 118.533 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 -0.000 0.000 0.218 844 N C -0.668 174.730 175.510 -0.186 0.000 1.182 844 N CA -0.075 52.831 53.050 -0.240 0.000 0.882 844 N CB 0.308 38.519 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.350 120.071 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.986 172.530 175.800 -0.474 0.000 1.120 845 F CA -1.354 56.398 58.000 -0.412 0.000 0.978 845 F CB 1.602 40.401 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.284 nan 4.420 nan 0.000 0.284 846 P C -1.457 175.434 177.300 -0.682 0.000 1.292 846 P CA -0.209 62.019 63.100 -1.454 0.000 0.800 846 P CB 0.736 31.746 31.700 -1.150 0.000 1.188 847 Y N -0.075 119.953 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 847 Y C -1.364 174.396 175.900 -0.233 0.000 1.157 847 Y CA -1.414 56.535 58.100 -0.251 0.000 1.372 847 Y CB -0.871 37.469 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.143 nan 4.420 nan 0.000 0.276 848 P C -0.051 177.203 177.300 -0.078 0.000 1.253 848 P CA 0.129 63.200 63.100 -0.047 0.000 0.766 848 P CB 0.742 32.424 31.700 -0.030 0.000 0.845 849 L N 2.896 124.071 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.069 177.895 176.870 -0.073 0.000 1.123 849 L CA 0.116 54.900 54.840 -0.093 0.000 0.900 849 L CB -0.177 41.826 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.013 116.523 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.352 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.694 60.581 61.300 -0.041 0.000 0.985 850 I CB 1.698 39.678 38.000 -0.032 0.000 1.240 850 I HN -0.027 nan 8.210 nan 0.000 0.464 851 G N 2.078 110.863 108.800 -0.025 0.000 2.685 851 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G C -0.058 174.833 174.900 -0.015 0.000 1.324 851 G CA -0.060 45.030 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.865 119.531 120.400 -0.008 0.000 2.486 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 852 K C 1.850 178.452 176.600 0.002 0.000 1.033 852 K CA 1.352 57.637 56.287 -0.003 0.000 1.004 852 K CB 0.091 32.592 32.500 0.001 0.000 0.798 852 K HN 0.368 nan 8.250 nan 0.000 0.495 853 T N 0.594 115.149 114.554 0.001 0.000 3.044 853 T HA 0.215 4.565 4.350 -0.000 0.000 0.260 853 T C 0.166 174.860 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.864 62.100 0.012 0.000 0.921 853 T CB 0.272 69.156 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.935 124.732 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.767 178.268 177.584 -0.139 0.000 1.041 854 A CA -0.073 51.914 52.037 -0.084 0.000 0.753 854 A CB -0.187 18.769 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.788 120.531 119.914 -0.286 0.000 2.953 855 V HA 0.308 4.428 4.120 -0.000 0.000 0.304 855 V C 0.212 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.171 60.805 62.300 -0.540 0.000 1.064 855 V CB 0.727 31.839 31.823 -1.184 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.733 122.996 120.400 -0.228 0.000 2.487 856 D HA 0.208 4.848 4.640 -0.000 0.000 0.243 856 D C 0.457 176.661 176.300 -0.160 0.000 1.154 856 D CA 0.689 54.626 54.000 -0.105 0.000 0.876 856 D CB 1.028 41.830 40.800 0.003 0.000 1.161 856 D HN 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.665 117.290 115.700 -0.125 0.000 2.726 857 S HA 0.739 5.209 4.470 -0.000 0.000 0.308 857 S C -0.483 174.056 174.600 -0.102 0.000 1.115 857 S CA -0.875 57.247 58.200 -0.131 0.000 0.965 857 S CB 2.050 65.171 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.530 121.035 120.570 -0.108 0.000 2.647 858 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 858 I C -0.447 175.613 176.117 -0.095 0.000 1.078 858 I CA -0.069 61.178 61.300 -0.088 0.000 1.048 858 I CB 2.386 40.335 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.798 120.311 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.629 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.558 61.501 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.704 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.983 121.741 119.800 -0.069 0.000 2.321 860 Q HA 0.486 4.826 4.340 -0.000 0.000 0.270 860 Q C -0.976 175.121 176.000 0.161 0.000 1.032 860 Q CA -0.872 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.344 31.049 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.182 122.724 120.400 0.237 0.000 2.371 861 K HA 0.638 4.958 4.320 -0.000 0.000 0.251 861 K C -0.772 175.989 176.600 0.268 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.337 34.952 32.500 0.193 0.000 1.204 861 K HN 0.560 nan 8.250 nan 0.000 0.427 862 K N 0.475 121.009 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.496 175.201 176.600 0.162 0.000 0.982 862 K CA -0.994 55.358 56.287 0.109 0.000 0.794 862 K CB 1.222 33.665 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.331 118.610 119.950 -0.016 0.000 2.744 863 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 863 F C -2.374 173.423 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.873 39.938 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.013 123.335 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.630 176.499 176.870 0.431 0.000 1.010 864 L CA -0.834 54.079 54.840 0.123 0.000 0.818 864 L CB 1.798 43.823 42.059 -0.057 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.034 121.596 119.300 0.436 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.436 174.707 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.017 27.066 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.549 122.123 120.400 0.291 0.000 2.354 866 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 866 D C 1.043 177.553 176.300 0.350 0.000 1.250 866 D CA 0.373 54.596 54.000 0.371 0.000 0.911 866 D CB 0.391 41.472 40.800 0.468 0.000 1.163 866 D HN 0.711 nan 8.370 nan 0.000 0.456 867 R N -1.392 119.388 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 -0.000 0.000 0.248 867 R C -0.913 175.662 176.300 0.459 0.000 0.981 867 R CA 0.981 57.361 56.100 0.467 0.000 0.662 867 R CB -2.376 28.176 30.300 0.420 0.000 1.037 867 R HN 0.386 nan 8.270 nan 0.000 0.460 868 T N -0.184 114.572 114.554 0.335 0.000 2.816 868 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 868 T C -1.067 173.570 174.700 -0.105 0.000 1.230 868 T CA -0.808 61.392 62.100 0.166 0.000 1.007 868 T CB 1.305 70.233 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.824 122.920 121.223 -0.211 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.589 176.039 176.870 -0.404 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.442 0.000 0.817 869 L CB 1.679 43.504 42.059 -0.390 0.000 1.272 869 L HN 0.703 nan 8.230 nan 0.000 0.421 870 W N 2.837 123.792 121.300 -0.576 0.000 2.181 870 W HA 0.325 4.985 4.660 -0.000 0.000 0.335 870 W C 0.293 176.441 176.519 -0.618 0.000 1.310 870 W CA -0.476 56.479 57.345 -0.650 0.000 1.226 870 W CB 0.607 29.348 29.460 -1.198 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.241 123.635 120.500 -0.177 0.000 2.686 871 R HA 0.588 4.928 4.340 -0.000 0.000 0.286 871 R C -0.938 175.238 176.300 -0.207 0.000 0.969 871 R CA -0.951 55.033 56.100 -0.193 0.000 0.898 871 R CB 1.854 32.022 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.659 124.234 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.434 173.891 176.117 0.347 0.000 1.089 872 I CA -2.190 59.183 61.300 0.122 0.000 1.103 872 I CB 1.869 39.934 38.000 0.108 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.078 nan 4.420 nan 0.000 0.275 873 P C -0.334 177.226 177.300 0.434 0.000 1.227 873 P CA -0.218 63.020 63.100 0.230 0.000 0.781 873 P CB 0.661 32.460 31.700 0.166 0.000 0.906 874 F N 2.306 122.208 119.950 -0.081 0.000 2.669 874 F HA 0.293 4.820 4.527 -0.000 0.000 0.353 874 F C 0.397 176.227 175.800 0.049 0.000 1.192 874 F CA -0.143 57.794 58.000 -0.104 0.000 1.317 874 F CB -0.559 38.127 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.262 116.040 115.700 0.130 0.000 2.521 875 S HA 0.324 4.794 4.470 -0.000 0.000 0.295 875 S C 1.075 175.618 174.600 -0.095 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.006 0.000 0.999 875 S CB 1.271 64.493 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.557 119.169 115.700 -0.146 0.000 2.407 876 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 876 S C 0.963 175.365 174.600 -0.330 0.000 1.036 876 S CA 1.901 59.973 58.200 -0.212 0.000 1.013 876 S CB -0.733 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.912 nan 8.310 nan 0.000 0.476 877 N N -0.786 117.775 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 -0.000 0.000 0.235 877 N C -0.014 175.523 175.510 0.045 0.000 1.209 877 N CA -0.365 52.599 53.050 -0.142 0.000 0.879 877 N CB -0.676 37.795 38.487 -0.026 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.368 118.647 119.950 0.109 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.450 176.264 175.800 0.024 0.000 0.639 878 F CA 0.614 58.662 58.000 0.080 0.000 1.153 878 F CB -2.050 36.973 39.000 0.038 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.279 119.426 119.600 0.175 0.000 2.283 879 M HA 0.370 4.850 4.480 -0.000 0.000 0.314 879 M C 0.684 177.015 176.300 0.051 0.000 1.153 879 M CA -0.100 55.261 55.300 0.103 0.000 1.084 879 M CB 0.803 33.474 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.043 117.757 115.700 0.022 0.000 2.399 880 S HA 0.401 4.871 4.470 -0.000 0.000 0.301 880 S C 0.225 174.833 174.600 0.013 0.000 1.093 880 S CA -0.450 57.752 58.200 0.002 0.000 1.077 880 S CB 0.166 63.353 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.264 121.871 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 -0.000 0.000 0.337 881 M C 0.608 176.917 176.300 0.015 0.000 1.074 881 M CA -0.194 55.114 55.300 0.014 0.000 0.968 881 M CB 0.911 33.517 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.192 108.616 108.800 0.015 0.000 2.307 882 G HA2 0.284 4.244 3.960 -0.000 0.000 0.348 882 G HA3 0.284 4.244 3.960 -0.000 0.000 0.348 882 G C 0.092 175.014 174.900 0.037 0.000 1.603 882 G CA -0.508 44.608 45.100 0.026 0.000 0.961 882 G HN 0.081 nan 8.290 nan 0.000 0.686 883 A N 0.284 123.139 122.820 0.058 0.000 1.892 883 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 883 A C 1.649 179.375 177.584 0.235 0.000 1.188 883 A CA 2.190 54.276 52.037 0.081 0.000 0.631 883 A CB -0.295 18.788 19.000 0.138 0.000 0.822 883 A HN 1.808 nan 8.150 nan 0.000 0.447 884 L N 2.107 123.501 121.223 0.285 0.000 2.334 884 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 884 L C 0.864 177.810 176.870 0.127 0.000 1.108 884 L CA 0.275 55.273 54.840 0.263 0.000 0.875 884 L CB -0.304 41.800 42.059 0.075 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.022 114.602 114.554 0.118 0.000 2.795 885 T HA 0.039 4.389 4.350 -0.000 0.000 0.314 885 T C 1.124 175.846 174.700 0.037 0.000 1.069 885 T CA 0.256 62.388 62.100 0.053 0.000 1.071 885 T CB 0.542 69.427 68.868 0.030 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.499 121.896 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.078 178.367 176.300 -0.019 0.000 0.982 886 D CA 1.181 55.174 54.000 -0.012 0.000 0.828 886 D CB -0.577 40.205 40.800 -0.030 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.366 121.524 121.223 -0.108 0.000 2.072 887 L HA 0.076 4.416 4.340 -0.000 0.000 0.205 887 L C 2.703 179.588 176.870 0.024 0.000 1.079 887 L CA 1.300 56.014 54.840 -0.210 0.000 0.752 887 L CB -0.816 40.700 42.059 -0.904 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.190 108.690 108.800 0.134 0.000 2.501 888 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 888 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 888 G C 1.341 176.371 174.900 0.216 0.000 1.114 888 G CA 0.687 45.957 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.228 119.661 119.800 0.148 0.000 2.194 889 Q HA 0.136 4.476 4.340 -0.000 0.000 0.214 889 Q C 0.264 176.336 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.032 28.743 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.622 120.426 118.700 0.174 0.000 2.492 890 N HA 0.018 4.758 4.740 -0.000 0.000 0.262 890 N C 1.011 176.603 175.510 0.136 0.000 1.202 890 N CA 0.078 53.222 53.050 0.157 0.000 0.926 890 N CB 0.896 39.518 38.487 0.226 0.000 1.078 890 N HN 0.332 nan 8.380 nan 0.000 0.454 891 L N 3.054 124.314 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 891 L C 2.199 179.078 176.870 0.015 0.000 1.080 891 L CA 1.147 56.012 54.840 0.041 0.000 0.754 891 L CB -0.410 41.659 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.828 119.351 121.223 -0.073 0.000 2.265 892 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 892 L C 1.860 178.547 176.870 -0.305 0.000 1.117 892 L CA 1.758 56.465 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.097 nan 8.230 nan 0.000 0.441 893 Y N -0.829 119.512 120.300 0.067 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.245 178.256 175.900 0.185 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.108 0.000 1.283 893 Y CB -0.178 38.355 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.134 122.822 122.820 0.228 0.000 1.963 894 A HA 0.029 4.349 4.320 -0.000 0.000 0.207 894 A C 1.601 179.254 177.584 0.115 0.000 1.243 894 A CA 0.539 52.675 52.037 0.165 0.000 0.728 894 A CB -0.260 18.813 19.000 0.122 0.000 0.895 894 A HN 0.211 nan 8.150 nan 0.000 0.467 895 N N 0.853 119.606 118.700 0.089 0.000 2.573 895 N HA -0.005 4.735 4.740 -0.000 0.000 0.187 895 N C 0.101 175.642 175.510 0.052 0.000 1.107 895 N CA 1.026 54.109 53.050 0.055 0.000 0.918 895 N CB -0.058 38.448 38.487 0.031 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.285 113.473 115.700 0.096 0.000 2.587 896 S HA 0.735 5.205 4.470 -0.000 0.000 0.269 896 S C -1.172 173.488 174.600 0.100 0.000 1.154 896 S CA -1.069 57.154 58.200 0.037 0.000 0.824 896 S CB 1.484 64.643 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.394 124.203 122.820 -0.019 0.000 2.304 897 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 897 A C -0.301 177.225 177.584 -0.096 0.000 1.132 897 A CA -0.451 51.632 52.037 0.076 0.000 0.819 897 A CB 0.276 19.292 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.276 119.027 119.070 0.388 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.258 175.376 175.328 0.510 0.000 1.174 898 H CA -0.216 56.071 56.048 0.399 0.000 1.144 898 H CB 2.224 32.204 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.873 124.963 122.820 0.450 0.000 2.306 899 A HA 0.572 4.892 4.320 -0.000 0.000 0.330 899 A C -0.992 176.730 177.584 0.230 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.023 20.134 19.000 0.186 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.188 122.493 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.607 175.226 176.870 -0.061 0.000 0.986 900 L CA -0.195 54.557 54.840 -0.148 0.000 0.820 900 L CB 2.187 44.038 42.059 -0.347 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.354 126.666 120.400 -0.147 0.000 2.505 901 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 901 D C -0.870 175.330 176.300 -0.167 0.000 1.082 901 D CA -0.208 53.736 54.000 -0.093 0.000 0.839 901 D CB 2.325 43.093 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.981 120.493 119.600 -0.148 0.000 2.464 902 M HA 0.332 4.812 4.480 -0.000 0.000 0.308 902 M C -0.844 175.322 176.300 -0.224 0.000 1.127 902 M CA -0.568 54.571 55.300 -0.267 0.000 0.913 902 M CB 2.666 35.108 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.763 117.107 114.554 -0.350 0.000 2.906 903 T HA 0.585 4.935 4.350 -0.000 0.000 0.302 903 T C -1.027 173.470 174.700 -0.338 0.000 1.002 903 T CA -0.388 61.581 62.100 -0.219 0.000 0.988 903 T CB 0.481 69.271 68.868 -0.130 0.000 0.972 903 T HN 0.270 nan 8.240 nan 0.000 0.447 904 F N 1.707 121.578 119.950 -0.132 0.000 2.422 904 F HA 0.494 5.021 4.527 -0.000 0.000 0.333 904 F C 0.913 176.675 175.800 -0.064 0.000 1.095 904 F CA -0.908 57.032 58.000 -0.100 0.000 1.038 904 F CB 1.368 40.328 39.000 -0.066 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.663 122.942 120.200 0.131 0.000 2.185 905 E HA 0.551 4.901 4.350 -0.000 0.000 0.261 905 E C -1.364 175.254 176.600 0.029 0.000 0.879 905 E CA -0.620 55.810 56.400 0.050 0.000 0.756 905 E CB 1.831 31.536 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.515 120.399 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 906 V C -0.339 175.690 176.094 -0.109 0.000 1.117 906 V CA -1.058 61.146 62.300 -0.159 0.000 1.014 906 V CB 1.990 33.608 31.823 -0.343 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.606 122.932 120.400 -0.122 0.000 2.372 907 D HA 0.396 5.036 4.640 -0.000 0.000 0.243 907 D C -2.513 173.745 176.300 -0.070 0.000 1.121 907 D CA -0.832 53.127 54.000 -0.067 0.000 0.898 907 D CB 1.164 41.936 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.229 nan 4.420 nan 0.000 0.279 908 P C -0.487 176.804 177.300 -0.015 0.000 1.239 908 P CA -0.185 62.899 63.100 -0.026 0.000 0.789 908 P CB 0.725 32.421 31.700 -0.007 0.000 0.933 909 M N 1.935 121.524 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.250 176.555 176.300 0.007 0.000 1.091 909 M CA -0.653 54.646 55.300 -0.001 0.000 0.919 909 M CB 2.066 34.658 32.600 -0.014 0.000 1.662 909 M HN 0.245 nan 8.290 nan 0.000 0.440 910 D N 0.658 121.072 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.220 176.089 176.300 0.015 0.000 1.187 910 D CA 0.261 54.274 54.000 0.022 0.000 0.900 910 D CB -0.119 40.700 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.447 118.759 120.200 0.009 0.000 2.390 911 E HA 0.454 4.804 4.350 -0.000 0.000 0.277 911 E C -3.177 173.420 176.600 -0.005 0.000 0.939 911 E CA -2.562 53.840 56.400 0.004 0.000 0.769 911 E CB 1.531 31.238 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 nan 4.420 nan 0.000 0.267 912 P C -0.440 176.851 177.300 -0.015 0.000 1.205 912 P CA 0.283 63.375 63.100 -0.014 0.000 0.765 912 P CB 0.763 32.453 31.700 -0.017 0.000 0.828 913 T N 0.745 115.288 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.680 174.016 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.909 69.753 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.638 121.865 121.223 0.006 0.000 2.422 914 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 914 L C -1.308 175.610 176.870 0.081 0.000 0.984 914 L CA -1.244 53.618 54.840 0.038 0.000 0.819 914 L CB 2.260 44.333 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.846 124.136 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 915 L C -1.104 175.925 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.562 42.584 42.059 -0.063 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.056 126.428 120.300 0.121 0.000 2.404 916 Y HA 0.567 5.117 4.550 -0.000 0.000 0.344 916 Y C -1.059 174.920 175.900 0.132 0.000 0.970 916 Y CA -1.289 56.895 58.100 0.139 0.000 1.180 916 Y CB 0.875 39.421 38.460 0.143 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.671 127.787 119.914 0.336 0.000 2.417 917 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 917 V C -0.250 175.857 176.094 0.022 0.000 1.024 917 V CA -1.003 61.351 62.300 0.091 0.000 0.861 917 V CB 1.622 33.526 31.823 0.135 0.000 0.985 917 V HN 0.578 nan 8.190 nan 0.000 0.436 918 L N 4.930 126.039 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 918 L C -0.897 175.876 176.870 -0.162 0.000 1.033 918 L CA -0.090 54.669 54.840 -0.136 0.000 0.814 918 L CB 1.122 43.042 42.059 -0.233 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.833 121.750 119.950 -0.055 0.000 2.335 919 F HA 0.225 4.752 4.527 -0.000 0.000 0.365 919 F C 0.969 176.689 175.800 -0.133 0.000 1.122 919 F CA -0.603 57.356 58.000 -0.069 0.000 1.151 919 F CB 0.681 39.468 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.577 123.708 120.200 -0.115 0.000 2.351 920 E HA 0.343 4.693 4.350 -0.000 0.000 0.266 920 E C -0.051 176.419 176.600 -0.216 0.000 1.031 920 E CA -0.213 56.032 56.400 -0.258 0.000 0.911 920 E CB 0.887 30.352 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.087 119.711 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.346 174.562 176.094 -0.310 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.089 32.982 31.823 0.116 0.000 1.077 921 V HN 0.414 nan 8.190 nan 0.000 0.473 922 F N 1.204 121.149 119.950 -0.008 0.000 2.411 922 F HA 0.695 5.222 4.527 -0.000 0.000 0.352 922 F C -0.066 175.727 175.800 -0.013 0.000 1.123 922 F CA -0.181 57.802 58.000 -0.029 0.000 1.044 922 F CB 1.294 40.290 39.000 -0.007 0.000 1.135 922 F HN 0.577 nan 8.300 nan 0.000 0.461 923 D N 3.981 124.404 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 -0.000 0.000 0.257 923 D C -1.086 175.210 176.300 -0.008 0.000 1.148 923 D CA 0.023 54.019 54.000 -0.007 0.000 0.902 923 D CB 1.108 41.788 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.195 122.233 119.914 0.207 0.000 3.001 924 V HA 0.672 4.792 4.120 -0.000 0.000 0.314 924 V C -0.103 176.154 176.094 0.272 0.000 1.099 924 V CA -0.852 61.606 62.300 0.264 0.000 0.989 924 V CB 2.358 34.286 31.823 0.174 0.000 1.040 924 V HN 0.256 nan 8.190 nan 0.000 0.434 925 V N 1.811 121.837 119.914 0.187 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.516 175.553 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.388 62.300 -0.107 0.000 0.930 925 V CB 2.111 33.689 31.823 -0.408 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.975 122.425 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.749 174.543 176.300 -0.013 0.000 0.955 926 R CA -0.367 55.709 56.100 -0.041 0.000 0.853 926 R CB 1.997 32.279 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.672 124.603 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.046 176.213 176.094 0.122 0.000 1.031 927 V CA -0.618 61.728 62.300 0.076 0.000 0.881 927 V CB 1.221 33.109 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.508 124.587 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 928 H C -0.429 174.913 175.328 0.024 0.000 1.091 928 H CA -0.830 55.223 56.048 0.010 0.000 1.207 928 H CB 1.373 31.140 29.762 0.009 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.889 126.168 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.996 174.069 176.300 -0.392 0.000 1.456 929 R CA -1.693 54.256 56.100 -0.252 0.000 1.612 929 R CB 0.484 30.738 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.146 nan 4.420 nan 0.000 0.216 930 P C -0.520 176.343 177.300 -0.727 0.000 1.153 930 P CA 1.506 64.199 63.100 -0.677 0.000 0.858 930 P CB 0.268 31.656 31.700 -0.520 0.000 0.789 931 H N -3.851 115.182 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.006 175.316 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.916 56.048 -0.024 0.000 1.124 931 H CB 0.863 30.619 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.022 121.605 120.500 0.138 0.000 2.494 932 R HA 0.062 4.402 4.340 -0.000 0.000 0.291 932 R C 0.310 176.610 176.300 0.000 0.000 0.953 932 R CA 1.409 57.542 56.100 0.055 0.000 1.098 932 R CB -0.515 29.804 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.600 111.351 108.800 -0.082 0.000 2.273 933 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 933 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 933 G C -0.388 174.467 174.900 -0.074 0.000 1.047 933 G CA 0.273 45.206 45.100 -0.279 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.112 121.074 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 -0.000 0.000 0.293 934 V C 0.167 176.352 176.094 0.152 0.000 1.027 934 V CA -0.762 61.610 62.300 0.120 0.000 0.862 934 V CB 1.648 33.547 31.823 0.126 0.000 1.008 934 V HN 0.403 nan 8.190 nan 0.000 0.428 935 I N 3.200 123.878 120.570 0.180 0.000 2.411 935 I HA 0.617 4.787 4.170 -0.000 0.000 0.284 935 I C -0.290 175.913 176.117 0.143 0.000 1.012 935 I CA -0.528 60.865 61.300 0.155 0.000 1.119 935 I CB 1.671 39.770 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.558 124.844 120.200 0.143 0.000 2.183 936 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 936 E C -0.593 176.096 176.600 0.148 0.000 0.919 936 E CA -0.748 55.748 56.400 0.160 0.000 0.781 936 E CB 2.444 32.260 29.700 0.193 0.000 1.140 936 E HN 0.710 nan 8.360 nan 0.000 0.402 937 T N -1.594 113.045 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.558 174.206 174.700 0.108 0.000 1.034 937 T CA -0.825 61.331 62.100 0.092 0.000 1.010 937 T CB 1.330 70.249 68.868 0.085 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.683 122.608 119.914 0.018 0.000 2.380 938 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 938 V C -1.389 174.728 176.094 0.039 0.000 1.015 938 V CA -0.905 61.438 62.300 0.072 0.000 0.834 938 V CB 0.418 32.268 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.944 125.313 120.300 0.116 0.000 2.334 939 Y HA 0.745 5.295 4.550 -0.000 0.000 0.328 939 Y C -0.107 175.871 175.900 0.130 0.000 1.130 939 Y CA -0.825 57.366 58.100 0.152 0.000 1.163 939 Y CB 1.760 40.326 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.481 125.880 121.223 0.293 0.000 2.516 940 L HA 0.514 4.854 4.340 -0.000 0.000 0.267 940 L C -1.382 175.617 176.870 0.216 0.000 0.957 940 L CA -0.804 54.157 54.840 0.203 0.000 0.860 940 L CB 1.568 43.702 42.059 0.125 0.000 1.265 940 L HN 0.650 nan 8.230 nan 0.000 0.403 941 R N 3.583 124.198 120.500 0.193 0.000 2.371 941 R HA 0.730 5.070 4.340 -0.000 0.000 0.312 941 R C -1.496 174.907 176.300 0.171 0.000 0.980 941 R CA -0.033 56.182 56.100 0.191 0.000 0.867 941 R CB 1.148 31.563 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.262 116.935 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 942 T C -2.730 172.142 174.700 0.287 0.000 1.052 942 T CA -1.887 60.326 62.100 0.188 0.000 0.996 942 T CB 2.322 71.261 68.868 0.117 0.000 1.070 942 T HN 0.227 nan 8.240 nan 0.000 0.465 943 P HA 0.439 nan 4.420 nan 0.000 0.312 943 P C -0.235 177.206 177.300 0.236 0.000 1.307 943 P CA -0.583 62.606 63.100 0.149 0.000 0.738 943 P CB -0.129 31.570 31.700 -0.002 0.000 1.422 944 F N -3.047 116.794 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.198 175.961 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.785 36.128 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.062 115.781 115.700 0.032 0.000 2.562 945 S HA 0.645 5.115 4.470 -0.000 0.000 0.281 945 S C 0.743 175.378 174.600 0.057 0.000 1.333 945 S CA -0.330 57.904 58.200 0.056 0.000 1.052 945 S CB 1.407 64.619 63.200 0.020 0.000 0.884 945 S HN 0.726 nan 8.310 nan 0.000 0.506 946 A N 0.000 122.868 122.820 0.080 0.000 2.254 946 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 946 A CA 0.000 52.076 52.037 0.066 0.000 0.836 946 A CB 0.000 19.046 19.000 0.077 0.000 0.831 946 A HN 0.000 nan 8.150 nan 0.000 0.486