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_L 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 -1.130 0.000 1.140 5 M CA 0.000 54.518 55.300 -1.303 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.551 119.710 119.600 -0.735 0.000 5.905 6 M HA -0.276 4.204 4.480 -0.000 0.000 0.326 6 M C -0.287 175.923 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.020 55.300 -0.295 0.000 0.949 6 M CB -2.937 29.571 32.600 -0.153 0.000 1.421 6 M HN 0.737 nan 8.290 nan 0.000 0.862 7 P HA -0.256 nan 4.420 nan 0.000 0.216 7 P C 1.450 178.761 177.300 0.018 0.000 1.151 7 P CA 2.442 65.511 63.100 -0.052 0.000 0.953 7 P CB -0.476 31.173 31.700 -0.086 0.000 0.789 8 Q N -2.183 117.619 119.800 0.003 0.000 2.096 8 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 8 Q C 2.305 178.471 176.000 0.276 0.000 0.982 8 Q CA 1.533 57.411 55.803 0.126 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.338 nan 8.270 nan 0.000 0.422 9 W N 1.250 122.558 121.300 0.014 0.000 2.333 9 W HA -0.164 4.496 4.660 -0.000 0.000 0.316 9 W C 2.633 179.141 176.519 -0.017 0.000 1.215 9 W CA 1.339 58.689 57.345 0.008 0.000 1.278 9 W CB -1.247 28.224 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.040 114.789 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.158 0.000 1.029 10 S CA 1.304 59.546 58.200 0.069 0.000 0.988 10 S CB -1.305 61.945 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.133 122.318 120.300 -0.192 0.000 2.128 11 Y HA -0.070 4.480 4.550 -0.000 0.000 0.284 11 Y C 2.115 177.740 175.900 -0.459 0.000 1.154 11 Y CA 1.433 59.354 58.100 -0.298 0.000 1.149 11 Y CB -0.241 38.134 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.729 118.769 119.600 -0.169 0.000 2.618 12 M HA -0.017 4.463 4.480 -0.000 0.000 0.240 12 M C 0.070 176.283 176.300 -0.145 0.000 1.123 12 M CA 0.886 56.095 55.300 -0.150 0.000 1.060 12 M CB -1.120 31.510 32.600 0.050 0.000 1.535 12 M HN 0.422 nan 8.290 nan 0.000 0.507 13 H N -1.967 117.066 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.337 176.661 175.328 -0.005 0.000 1.187 13 H CA 0.827 56.843 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 0.367 nan 8.280 nan 0.000 0.328 14 I N 0.454 121.054 120.570 0.050 0.000 2.493 14 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 14 I C 1.460 177.540 176.117 -0.063 0.000 1.160 14 I CA 1.515 62.773 61.300 -0.069 0.000 1.445 14 I CB 0.195 38.048 38.000 -0.244 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.479 114.262 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 15 S C -0.121 174.586 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.518 64.842 63.200 0.206 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.714 109.617 108.800 0.172 0.000 2.466 16 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G C -0.959 174.053 174.900 0.188 0.000 1.237 16 G CA -0.167 45.039 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.467 120.411 119.800 0.240 0.000 2.382 17 Q HA 0.503 4.843 4.340 -0.000 0.000 0.229 17 Q C -0.603 175.566 176.000 0.281 0.000 1.006 17 Q CA -0.426 55.520 55.803 0.238 0.000 0.916 17 Q CB 0.689 29.573 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.356 120.092 120.400 0.081 0.000 2.283 18 D HA 0.192 4.832 4.640 -0.000 0.000 0.248 18 D C 0.596 176.613 176.300 -0.472 0.000 1.072 18 D CA -0.041 53.913 54.000 -0.076 0.000 0.929 18 D CB 1.392 42.143 40.800 -0.082 0.000 1.182 18 D HN 0.648 nan 8.370 nan 0.000 0.433 19 A N 1.444 123.830 122.820 -0.723 0.000 1.958 19 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 19 A C 2.028 179.128 177.584 -0.806 0.000 1.178 19 A CA 2.612 53.903 52.037 -1.244 0.000 0.642 19 A CB -0.772 17.850 19.000 -0.629 0.000 0.816 19 A HN 0.586 nan 8.150 nan 0.000 0.453 20 S N -0.085 115.354 115.700 -0.436 0.000 2.419 20 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 20 S C 1.464 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.501 59.535 58.200 -0.277 0.000 0.974 20 S CB -0.362 62.736 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.336 120.403 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.862 178.439 176.600 -0.039 0.000 0.964 21 E CA 0.703 57.046 56.400 -0.096 0.000 0.868 21 E CB -0.301 29.386 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.890 121.162 120.300 -0.047 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 -0.511 37.974 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.849 122.966 121.223 -0.176 0.000 2.472 23 L HA 0.175 4.515 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 -0.287 54.464 54.840 -0.150 0.000 0.817 23 L CB 0.452 42.257 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.809 116.464 115.700 -0.075 0.000 2.585 24 S HA 0.178 4.648 4.470 -0.000 0.000 0.273 24 S C -1.798 172.763 174.600 -0.064 0.000 1.339 24 S CA -1.072 57.101 58.200 -0.046 0.000 1.028 24 S CB 1.030 64.214 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.702 178.992 177.300 -0.017 0.000 1.150 25 P CA 1.584 64.663 63.100 -0.034 0.000 0.832 25 P CB -0.550 31.139 31.700 -0.019 0.000 0.787 26 G N 0.330 109.127 108.800 -0.006 0.000 2.418 26 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 26 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 26 G C 1.481 176.408 174.900 0.044 0.000 1.158 26 G CA 0.643 45.757 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.793 122.008 121.223 -0.013 0.000 2.046 27 L HA 0.011 4.351 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 1.416 56.237 54.840 -0.033 0.000 0.747 27 L CB -0.590 41.391 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.093 119.781 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.109 179.197 176.094 -0.011 0.000 1.053 28 V CA 2.380 64.632 62.300 -0.079 0.000 1.027 28 V CB -1.408 30.352 31.823 -0.106 0.000 0.646 28 V HN 0.721 nan 8.190 nan 0.000 0.447 29 Q N -0.863 118.947 119.800 0.017 0.000 2.030 29 Q HA -0.320 4.020 4.340 -0.000 0.000 0.204 29 Q C 2.056 178.091 176.000 0.059 0.000 0.986 29 Q CA 2.353 58.173 55.803 0.028 0.000 0.843 29 Q CB -1.185 27.574 28.738 0.034 0.000 0.904 29 Q HN 0.696 nan 8.270 nan 0.000 0.420 30 F N 1.371 121.301 119.950 -0.033 0.000 2.095 30 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 30 F C 2.589 178.373 175.800 -0.028 0.000 1.104 30 F CA 1.712 59.702 58.000 -0.017 0.000 1.232 30 F CB -0.669 38.330 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.589 123.581 122.820 0.287 0.000 1.883 31 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 31 A C 2.424 180.003 177.584 -0.009 0.000 1.186 31 A CA 2.993 55.127 52.037 0.162 0.000 0.624 31 A CB -1.556 17.496 19.000 0.086 0.000 0.822 31 A HN 0.479 nan 8.150 nan 0.000 0.444 32 R N -0.817 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 32 R C 2.485 178.718 176.300 -0.112 0.000 1.127 32 R CA 2.217 58.277 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 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.663 123.387 122.820 -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 -3.341 110.911 114.554 -0.502 0.000 3.067 34 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 34 T C 1.708 176.010 174.700 -0.663 0.000 1.105 34 T CA 1.489 63.081 62.100 -0.847 0.000 1.104 34 T CB -0.351 68.129 68.868 -0.647 0.000 0.925 34 T HN 0.616 nan 8.240 nan 0.000 0.498 35 E N 2.520 122.531 120.200 -0.314 0.000 2.170 35 E HA -0.348 4.002 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 2.919 59.210 56.400 -0.182 0.000 0.930 35 E CB -2.266 27.368 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.333 112.143 114.554 -0.130 0.000 3.007 36 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 36 T C 1.811 176.560 174.700 0.083 0.000 1.107 36 T CA 1.628 63.724 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 0.917 nan 8.240 nan 0.000 0.506 37 Y N -1.651 118.681 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 -0.000 0.000 0.257 37 Y C 0.161 176.189 175.900 0.213 0.000 1.087 37 Y CA -2.073 56.084 58.100 0.095 0.000 1.258 37 Y CB 0.643 39.145 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.038 121.895 119.950 -0.156 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.857 174.903 175.800 -0.067 0.000 1.271 38 F CA -1.395 56.580 58.000 -0.042 0.000 1.224 38 F CB 0.937 39.968 39.000 0.052 0.000 1.624 38 F HN -0.007 nan 8.300 nan 0.000 0.658 39 S N 5.863 121.337 115.700 -0.376 0.000 2.525 39 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 39 S C 0.141 174.588 174.600 -0.255 0.000 1.234 39 S CA -0.538 57.516 58.200 -0.243 0.000 1.058 39 S CB 1.256 64.371 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.961 124.164 121.223 -0.032 0.000 2.766 40 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 40 L C 2.712 179.677 176.870 0.159 0.000 1.136 40 L CA 0.410 55.311 54.840 0.101 0.000 0.933 40 L CB -1.172 41.087 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.722 120.466 118.700 0.074 0.000 2.094 41 N HA -0.254 4.486 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 1.917 55.014 53.050 0.080 0.000 0.857 41 N CB -0.916 37.578 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 0.377 175.793 175.510 -0.157 0.000 1.213 42 N CA 0.583 53.584 53.050 -0.080 0.000 0.864 42 N CB -0.010 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 -0.509 119.717 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.826 175.256 176.600 -0.864 0.000 1.030 43 K CA -0.233 55.706 56.287 -0.581 0.000 1.099 43 K CB 0.214 32.304 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.997 122.942 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 0.000 0.000 0.328 44 F C 0.087 175.891 175.800 0.006 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.362 40.351 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.578 122.181 120.500 0.172 0.000 2.490 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 45 R C -0.987 175.387 176.300 0.123 0.000 1.077 45 R CA -0.502 55.665 56.100 0.111 0.000 1.065 45 R CB 0.604 30.954 30.300 0.084 0.000 1.003 45 R HN 0.445 nan 8.270 nan 0.000 0.470 46 N N 3.548 122.294 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.440 173.106 175.510 0.060 0.000 0.998 46 N CA -1.450 51.636 53.050 0.061 0.000 0.915 46 N CB 1.819 40.311 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.132 nan 4.420 nan 0.000 0.272 47 P C -0.427 176.892 177.300 0.032 0.000 1.223 47 P CA -0.110 63.027 63.100 0.061 0.000 0.784 47 P CB 0.508 32.264 31.700 0.094 0.000 0.923 48 T N -1.365 113.192 114.554 0.005 0.000 2.906 48 T HA 0.495 4.845 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 -0.684 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.305 69.168 68.868 -0.009 0.000 0.972 48 T HN 0.108 nan 8.240 nan 0.000 0.447 49 V N 2.842 122.753 119.914 -0.005 0.000 2.384 49 V HA 0.773 4.893 4.120 -0.000 0.000 0.287 49 V C 0.852 176.943 176.094 -0.004 0.000 1.020 49 V CA -1.043 61.252 62.300 -0.009 0.000 0.850 49 V CB 1.116 32.949 31.823 0.018 0.000 0.987 49 V HN 1.231 nan 8.190 nan 0.000 0.436 50 A N 7.111 129.925 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.012 175.569 177.584 -0.007 0.000 1.082 50 A CA -0.937 51.097 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 0.712 nan 8.150 nan 0.000 0.490 51 P HA 0.233 nan 4.420 nan 0.000 0.275 51 P C 0.565 177.830 177.300 -0.059 0.000 1.228 51 P CA 0.057 63.112 63.100 -0.074 0.000 0.786 51 P CB 0.728 32.363 31.700 -0.107 0.000 0.927 52 T N -2.566 111.939 114.554 -0.081 0.000 3.023 52 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 52 T C 0.363 175.112 174.700 0.081 0.000 1.038 52 T CA 0.061 62.178 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 -1.912 117.190 119.070 0.052 0.000 3.016 53 H HA 0.630 5.186 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 -0.806 55.271 56.048 0.050 0.000 1.124 53 H CB 0.537 30.324 29.762 0.042 0.000 1.850 53 H HN -0.128 nan 8.280 nan 0.000 0.549 54 D N 0.431 120.954 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.227 176.598 176.300 0.118 0.000 1.147 54 D CA 1.132 55.228 54.000 0.161 0.000 0.757 54 D CB -1.412 39.510 40.800 0.203 0.000 1.091 54 D HN 0.372 nan 8.370 nan 0.000 0.429 55 V N -1.313 118.676 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.094 177.344 176.094 0.259 0.000 1.296 55 V CA 1.216 63.627 62.300 0.183 0.000 1.306 55 V CB 1.038 32.951 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.019 115.658 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.158 174.567 174.700 0.042 0.000 1.039 56 T CA -0.220 61.923 62.100 0.071 0.000 1.024 56 T CB 1.810 70.666 68.868 -0.020 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.069 115.625 114.554 0.004 0.000 2.882 57 T HA 0.269 4.619 4.350 -0.000 0.000 0.287 57 T C 0.322 174.979 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.745 69.531 68.868 -0.137 0.000 1.001 57 T HN 0.442 nan 8.240 nan 0.000 0.525 58 D N 0.001 120.339 120.400 -0.103 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.673 176.928 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.388 41.158 40.800 -0.050 0.000 0.992 58 D HN 0.364 nan 8.370 nan 0.000 0.504 59 R N 0.329 120.751 120.500 -0.131 0.000 2.637 59 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 59 R C 0.463 176.730 176.300 -0.054 0.000 1.089 59 R CA -0.193 55.843 56.100 -0.107 0.000 1.177 59 R CB 0.467 30.661 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.854 116.539 115.700 -0.024 0.000 2.533 60 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 60 S C -0.635 173.967 174.600 0.004 0.000 1.304 60 S CA 0.032 58.226 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 3.215 123.014 119.800 -0.001 0.000 2.518 61 Q HA 0.218 4.558 4.340 -0.000 0.000 0.254 61 Q C -1.349 174.644 176.000 -0.012 0.000 0.962 61 Q CA -0.768 55.033 55.803 -0.002 0.000 0.982 61 Q CB 0.780 29.538 28.738 0.034 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.015 123.496 120.500 -0.032 0.000 2.539 62 R HA 0.252 4.592 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 0.116 56.209 56.100 -0.012 0.000 1.097 62 R CB 0.618 30.897 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.439 121.704 121.223 0.070 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.673 177.683 176.870 0.233 0.000 1.083 63 L CA 1.039 55.959 54.840 0.133 0.000 0.790 63 L CB 0.042 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 1.412 116.076 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.497 174.286 174.700 0.138 0.000 0.993 64 T CA -0.364 61.873 62.100 0.228 0.000 0.967 64 T CB 2.175 71.184 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.092 124.390 121.223 0.125 0.000 2.342 65 L HA 0.727 5.067 4.340 -0.000 0.000 0.271 65 L C 0.132 176.758 176.870 -0.406 0.000 1.008 65 L CA -1.195 53.545 54.840 -0.166 0.000 0.818 65 L CB 2.026 43.938 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.394 121.491 120.500 -0.673 0.000 2.561 66 R HA 0.648 4.988 4.340 -0.000 0.000 0.297 66 R C -1.980 173.864 176.300 -0.760 0.000 0.969 66 R CA -0.489 55.102 56.100 -0.849 0.000 0.879 66 R CB 1.449 31.123 30.300 -1.044 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.507 123.322 119.950 -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 1.448 40.503 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.033 124.822 120.570 0.366 0.000 2.488 68 I HA 0.334 4.504 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 -3.556 57.922 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 0.849 178.053 177.300 -0.160 0.000 1.216 69 P CA -0.034 62.838 63.100 -0.381 0.000 0.771 69 P CB 1.160 32.548 31.700 -0.521 0.000 0.864 70 V N 1.499 121.311 119.914 -0.170 0.000 2.649 70 V HA -0.039 4.081 4.120 -0.000 0.000 0.248 70 V C 0.547 176.584 176.094 -0.095 0.000 1.054 70 V CA 1.795 64.052 62.300 -0.072 0.000 1.073 70 V CB -0.516 31.293 31.823 -0.023 0.000 0.699 70 V HN 0.659 nan 8.190 nan 0.000 0.463 71 D N -1.250 119.056 120.400 -0.157 0.000 2.977 71 D HA 0.582 5.222 4.640 -0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.187 0.000 1.267 71 D CA -0.080 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.401 42.133 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.013 122.411 120.500 -0.171 0.000 2.744 72 R HA 0.845 5.185 4.340 -0.000 0.000 0.279 72 R C -0.797 175.337 176.300 -0.277 0.000 0.977 72 R CA -0.826 55.142 56.100 -0.219 0.000 0.906 72 R CB 1.199 31.405 30.300 -0.156 0.000 1.197 72 R HN 0.576 nan 8.270 nan 0.000 0.463 73 E N 1.815 121.763 120.200 -0.420 0.000 2.502 73 E HA 0.144 4.494 4.350 -0.000 0.000 0.261 73 E C -1.660 174.608 176.600 -0.553 0.000 0.974 73 E CA -0.872 55.296 56.400 -0.386 0.000 0.795 73 E CB 1.830 31.378 29.700 -0.254 0.000 1.385 73 E HN 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.331 122.403 120.400 -0.547 0.000 2.344 74 D HA 0.141 4.781 4.640 -0.000 0.000 0.253 74 D C -0.446 175.735 176.300 -0.197 0.000 1.255 74 D CA 0.485 54.232 54.000 -0.421 0.000 0.894 74 D CB 0.931 41.613 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 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 1.418 176.029 174.700 -0.148 0.000 0.995 75 T CA -0.031 61.960 62.100 -0.181 0.000 0.966 75 T CB 1.409 70.115 68.868 -0.271 0.000 1.237 75 T HN 0.301 nan 8.240 nan 0.000 0.591 76 A N 0.349 123.037 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.450 178.998 177.584 -0.060 0.000 1.193 76 A CA 2.166 54.117 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.121 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.763 118.539 120.300 0.004 0.000 2.675 77 Y HA 0.535 5.085 4.550 -0.000 0.000 0.248 77 Y C 0.282 176.331 175.900 0.248 0.000 1.161 77 Y CA -0.445 57.706 58.100 0.086 0.000 1.203 77 Y CB -0.470 37.995 38.460 0.007 0.000 1.262 77 Y HN 0.350 nan 8.280 nan 0.000 0.544 78 S N -0.950 114.786 115.700 0.061 0.000 2.656 78 S HA 0.650 5.120 4.470 -0.000 0.000 0.273 78 S C -2.045 172.715 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.284 65.656 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.384 120.825 120.300 0.236 0.000 2.386 79 Y HA 0.671 5.221 4.550 -0.000 0.000 0.334 79 Y C -0.805 175.206 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.183 0.000 1.068 79 Y CB 1.885 40.477 38.460 0.220 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.939 124.363 120.400 0.039 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.625 174.992 176.600 0.030 0.000 0.961 80 K CA -0.564 55.748 56.287 0.041 0.000 0.833 80 K CB 1.197 33.631 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.342 127.231 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 -0.000 0.000 0.308 81 A C -1.215 176.241 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.084 20.098 19.000 0.023 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.286 122.531 120.500 -0.423 0.000 2.437 82 R HA 0.715 5.055 4.340 -0.000 0.000 0.310 82 R C -1.784 174.238 176.300 -0.462 0.000 0.955 82 R CA -0.313 55.620 56.100 -0.278 0.000 0.851 82 R CB 0.811 31.036 30.300 -0.126 0.000 1.161 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 0.401 4.928 4.527 -0.000 0.000 0.324 83 F C 0.250 176.111 175.800 0.102 0.000 1.061 83 F CA -0.927 57.150 58.000 0.128 0.000 0.954 83 F CB 2.409 41.508 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.236 117.953 114.554 0.271 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.710 173.959 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.028 68.918 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.157 125.317 121.223 -0.105 0.000 2.485 85 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 85 L C 0.108 176.919 176.870 -0.099 0.000 1.124 85 L CA -0.302 54.286 54.840 -0.419 0.000 0.888 85 L CB -0.798 41.136 42.059 -0.208 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.516 128.273 122.820 -0.105 0.000 2.287 86 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 86 A C -0.794 176.976 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.033 20.157 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.562 123.662 119.914 0.310 0.000 2.294 87 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 87 V C 1.170 177.373 176.094 0.181 0.000 1.027 87 V CA -0.150 62.356 62.300 0.343 0.000 0.823 87 V CB 0.733 32.797 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.222 112.071 108.800 0.081 0.000 2.664 88 G HA2 0.141 4.101 3.960 -0.000 0.000 0.242 88 G HA3 0.141 4.101 3.960 -0.000 0.000 0.242 88 G C -0.149 174.750 174.900 -0.002 0.000 1.225 88 G CA -0.447 44.657 45.100 0.006 0.000 0.849 88 G HN 0.643 nan 8.290 nan 0.000 0.581 89 D N 0.690 121.070 120.400 -0.032 0.000 2.443 89 D HA 0.015 4.655 4.640 -0.000 0.000 0.239 89 D C 0.442 176.654 176.300 -0.147 0.000 1.136 89 D CA 0.492 54.459 54.000 -0.054 0.000 0.879 89 D CB 0.512 41.284 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.475 120.093 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.773 53.676 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.481 38.487 -0.681 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.454 120.037 120.500 -0.014 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 2.495 32.855 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.462 119.611 119.914 0.264 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.353 174.847 176.094 0.176 0.000 1.090 92 V CA -1.049 61.363 62.300 0.186 0.000 0.930 92 V CB 1.955 33.839 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.595 123.827 121.223 0.014 0.000 2.381 93 L HA 0.701 5.041 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 0.054 54.754 54.840 -0.234 0.000 0.824 93 L CB 1.673 43.497 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.789 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 94 D C 1.224 177.424 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.026 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 2.830 122.311 119.600 -0.199 0.000 2.192 95 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 95 M C 1.919 178.116 176.300 -0.172 0.000 1.071 95 M CA 0.936 56.094 55.300 -0.237 0.000 1.082 95 M CB -1.206 31.221 32.600 -0.288 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.018 122.732 122.820 -0.116 0.000 2.076 96 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 96 A C 2.184 179.773 177.584 0.008 0.000 1.160 96 A CA 1.880 53.881 52.037 -0.060 0.000 0.653 96 A CB -0.730 18.258 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.361 115.338 115.700 -0.001 0.000 2.634 97 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 97 S C 0.651 175.314 174.600 0.105 0.000 0.952 97 S CA 0.409 58.658 58.200 0.082 0.000 0.930 97 S CB -1.009 62.223 63.200 0.054 0.000 0.780 97 S HN 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.312 114.253 114.554 0.018 0.000 2.945 98 T HA 0.740 5.090 4.350 -0.000 0.000 0.286 98 T C -0.748 173.983 174.700 0.051 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.223 69.949 68.868 -0.237 0.000 1.068 98 T HN 0.702 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 -2.230 173.555 175.900 -0.191 0.000 1.173 99 Y CA -2.365 55.642 58.100 -0.155 0.000 1.076 99 Y CB 0.524 39.114 38.460 0.216 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.966 122.055 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.118 176.033 175.800 0.191 0.000 1.120 100 F CA -0.481 57.583 58.000 0.108 0.000 1.144 100 F CB 0.917 39.969 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.379 125.014 120.400 0.391 0.000 2.316 101 D HA 0.454 5.094 4.640 -0.000 0.000 0.245 101 D C -0.628 175.808 176.300 0.227 0.000 1.171 101 D CA 0.119 54.346 54.000 0.378 0.000 0.856 101 D CB 0.497 41.608 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.703 124.367 120.570 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 0.066 0.000 1.020 102 I CA -0.917 60.396 61.300 0.021 0.000 1.088 102 I CB 1.847 39.766 38.000 -0.134 0.000 1.267 102 I HN 0.153 nan 8.210 nan 0.000 0.430 103 R N 3.701 124.132 120.500 -0.116 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.386 175.649 176.300 -0.441 0.000 0.969 103 R CA -0.797 55.120 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 0.651 108.891 108.800 -0.934 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.855 0.000 1.292 104 G CA -0.441 44.174 45.100 -0.807 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.155 119.882 119.914 -0.312 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.724 175.533 176.094 0.271 0.000 1.052 105 V CA -0.687 61.606 62.300 -0.011 0.000 0.908 105 V CB 1.579 33.391 31.823 -0.018 0.000 1.001 105 V HN 0.976 nan 8.190 nan 0.000 0.431 106 L N 2.823 124.238 121.223 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 0.116 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 0.586 176.816 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.507 42.389 40.800 0.138 0.000 1.076 107 D HN 0.624 nan 8.370 nan 0.000 0.533 108 R N 2.159 122.514 120.500 -0.242 0.000 2.328 108 R HA 0.266 4.606 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 0.652 56.572 56.100 -0.300 0.000 1.016 108 R CB -0.193 29.753 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.078 108.785 108.800 -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 -2.099 172.727 174.900 -0.124 0.000 1.359 109 G CA -0.447 44.588 45.100 -0.110 0.000 0.861 109 G HN 0.031 nan 8.290 nan 0.000 0.541 110 P HA 0.026 nan 4.420 nan 0.000 0.231 110 P C 1.727 178.878 177.300 -0.249 0.000 1.168 110 P CA 2.241 65.257 63.100 -0.140 0.000 0.779 110 P CB -0.069 31.575 31.700 -0.093 0.000 0.844 111 T N -4.278 110.088 114.554 -0.312 0.000 3.148 111 T HA 0.022 4.372 4.350 -0.000 0.000 0.253 111 T C 0.298 174.642 174.700 -0.595 0.000 1.134 111 T CA -0.485 61.213 62.100 -0.671 0.000 1.051 111 T CB -1.125 67.342 68.868 -0.669 0.000 0.959 111 T HN -0.121 nan 8.240 nan 0.000 0.525 112 F N 2.590 122.273 119.950 -0.444 0.000 2.472 112 F HA 0.499 5.026 4.527 -0.000 0.000 0.364 112 F C 0.242 175.807 175.800 -0.392 0.000 1.090 112 F CA -1.083 56.699 58.000 -0.364 0.000 1.188 112 F CB 0.571 39.412 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.060 128.812 120.400 -1.080 0.000 2.803 113 K HA 0.312 4.632 4.320 -0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.275 0.000 1.084 113 K CA -1.748 53.847 56.287 -1.153 0.000 1.063 113 K CB 1.319 33.321 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.013 nan 4.420 nan 0.000 0.286 114 P C -1.299 175.759 177.300 -0.404 0.000 1.577 114 P CA 0.387 62.949 63.100 -0.896 0.000 0.805 114 P CB -0.803 30.739 31.700 -0.263 0.000 1.706 115 Y N -5.472 114.499 120.300 -0.548 0.000 2.810 115 Y HA 0.563 5.113 4.550 -0.000 0.000 0.355 115 Y C -1.066 174.706 175.900 -0.214 0.000 1.211 115 Y CA -1.375 56.585 58.100 -0.234 0.000 1.112 115 Y CB -0.144 38.233 38.460 -0.138 0.000 1.383 115 Y HN -0.373 nan 8.280 nan 0.000 0.458 116 S N 0.899 116.677 115.700 0.129 0.000 2.608 116 S HA 0.788 5.258 4.470 -0.000 0.000 0.291 116 S C 0.329 175.042 174.600 0.188 0.000 1.146 116 S CA 0.115 58.337 58.200 0.037 0.000 1.043 116 S CB 1.036 64.236 63.200 0.000 0.000 1.037 116 S HN 1.829 nan 8.310 nan 0.000 0.520 117 G N 1.945 110.819 108.800 0.123 0.000 2.632 117 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G C -0.451 174.555 174.900 0.177 0.000 1.341 117 G CA -0.291 44.910 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.835 113.749 114.554 0.050 0.000 2.940 118 T HA 0.771 5.121 4.350 -0.000 0.000 0.288 118 T C 1.086 175.652 174.700 -0.224 0.000 1.045 118 T CA 0.451 62.497 62.100 -0.089 0.000 1.018 118 T CB 1.939 70.557 68.868 -0.416 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.210 122.355 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.507 176.564 177.584 -0.854 0.000 1.214 119 A CA 0.127 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.279 19.000 -1.054 0.000 0.942 119 A HN 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.326 120.542 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.063 175.873 175.900 -0.150 0.000 0.960 120 Y CA -1.806 56.238 58.100 -0.093 0.000 1.130 120 Y CB 0.722 39.170 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.958 119.706 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.906 176.453 175.510 0.060 0.000 1.024 121 N CA 0.800 53.895 53.050 0.075 0.000 0.726 121 N CB -0.709 37.847 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.246 122.586 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 122 A C 2.179 179.915 177.584 0.254 0.000 1.164 122 A CA 1.045 53.155 52.037 0.121 0.000 0.644 122 A CB -0.092 18.938 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.791 120.531 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 123 L C 1.415 178.373 176.870 0.147 0.000 1.132 123 L CA 0.032 54.955 54.840 0.138 0.000 0.850 123 L CB -0.466 41.648 42.059 0.093 0.000 0.966 123 L HN 0.352 nan 8.230 nan 0.000 0.454 124 A N 1.150 124.089 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.542 177.584 0.140 0.000 1.089 124 A CA -1.147 50.995 52.037 0.176 0.000 0.779 124 A CB -0.462 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 0.266 177.541 177.300 -0.043 0.000 1.193 125 P CA 0.105 63.203 63.100 -0.003 0.000 0.765 125 P CB 0.404 32.109 31.700 0.009 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 1.704 178.248 176.600 -0.094 0.000 1.045 126 K CA 1.558 57.688 56.287 -0.262 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 0.385 109.154 108.800 -0.050 0.000 2.944 127 G HA2 0.223 4.183 3.960 -0.000 0.000 0.223 127 G HA3 0.223 4.183 3.960 -0.000 0.000 0.223 127 G C 0.196 175.099 174.900 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 1.516 124.354 122.820 0.030 0.000 2.511 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 128 A C -2.212 175.420 177.584 0.080 0.000 1.069 128 A CA -0.433 51.644 52.037 0.066 0.000 0.763 128 A CB 0.331 19.385 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 -0.799 176.592 177.300 0.153 0.000 1.290 129 P CA -1.029 62.127 63.100 0.094 0.000 0.889 129 P CB 0.975 32.697 31.700 0.037 0.000 1.190 130 N N 1.012 119.789 118.700 0.128 0.000 2.503 130 N HA 0.211 4.951 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 -1.187 51.940 53.050 0.129 0.000 0.959 130 N CB -0.306 38.237 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 -0.180 177.226 177.300 0.176 0.000 1.203 131 P CA -0.115 63.080 63.100 0.158 0.000 0.767 131 P CB -0.034 31.704 31.700 0.064 0.000 0.785 132 C N 1.957 121.418 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.545 174.652 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.649 29.539 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.701 119.706 120.200 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 -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.314 32.101 29.700 0.144 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.924 122.290 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 -0.000 0.000 0.355 134 W C -1.339 175.250 176.519 0.116 0.000 1.233 134 W CA -0.640 56.752 57.345 0.079 0.000 1.176 134 W CB 0.490 29.967 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.468 119.164 119.070 -0.624 0.000 2.496 166 H HA 0.853 5.409 4.556 -0.000 0.000 0.342 166 H C -0.179 174.776 175.328 -0.622 0.000 1.170 166 H CA -0.753 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.187 30.121 29.762 -1.380 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.065 121.832 119.914 -0.245 0.000 2.789 167 V HA 0.321 4.441 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 -0.754 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.979 33.727 31.823 -0.124 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.061 124.080 119.950 0.116 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.147 175.993 175.800 0.077 0.000 1.168 168 F CA 0.073 58.166 58.000 0.155 0.000 1.045 168 F CB 1.377 40.569 39.000 0.320 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.744 112.291 108.800 -0.421 0.000 2.815 169 G HA2 0.531 4.491 3.960 -0.000 0.000 0.305 169 G HA3 0.531 4.491 3.960 -0.000 0.000 0.305 169 G C -2.105 172.590 174.900 -0.342 0.000 1.277 169 G CA -0.718 44.206 45.100 -0.292 0.000 0.795 169 G HN 0.556 nan 8.290 nan 0.000 0.528 170 Q N -1.300 118.390 119.800 -0.183 0.000 2.340 170 Q HA 0.605 4.945 4.340 -0.000 0.000 0.276 170 Q C -1.683 174.279 176.000 -0.064 0.000 1.048 170 Q CA -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.254 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.054 nan 8.270 nan 0.000 0.409 171 A N 4.106 126.899 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.320 171 A C -2.359 175.243 177.584 0.030 0.000 1.281 171 A CA -1.140 50.903 52.037 0.011 0.000 0.775 171 A CB 0.742 19.747 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.035 nan 4.420 nan 0.000 0.245 172 P C -0.044 177.297 177.300 0.068 0.000 1.199 172 P CA 0.416 63.545 63.100 0.049 0.000 0.807 172 P CB 0.049 31.781 31.700 0.053 0.000 1.002 173 Y N 1.692 121.997 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 173 Y C 0.330 176.245 175.900 0.025 0.000 1.058 173 Y CA -0.555 57.551 58.100 0.010 0.000 1.244 173 Y CB 0.666 39.126 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.425 120.775 115.700 -0.584 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 -0.291 62.779 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.477 112.333 108.800 0.093 0.000 2.613 175 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 175 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 175 G C 0.672 175.661 174.900 0.149 0.000 1.312 175 G CA -0.772 44.494 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.294 120.914 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.572 177.504 176.117 -0.307 0.000 1.096 176 I CA 1.527 62.809 61.300 -0.030 0.000 1.408 176 I CB -0.150 37.837 38.000 -0.021 0.000 1.092 176 I HN 0.682 nan 8.210 nan 0.000 0.423 177 N N 0.173 118.668 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.295 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.969 53.050 -0.676 0.000 0.896 177 N CB 0.765 38.980 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.655 122.243 120.570 0.029 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.130 177.326 176.117 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 39.350 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.857 117.478 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.156 175.833 174.700 -0.038 0.000 0.986 179 T CA -0.042 62.069 62.100 0.018 0.000 0.989 179 T CB 0.476 69.348 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.104 120.430 120.400 -0.124 0.000 2.459 180 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 180 K C 1.506 178.109 176.600 0.004 0.000 1.030 180 K CA 1.281 57.436 56.287 -0.220 0.000 1.026 180 K CB -0.398 31.975 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 0.777 177.480 176.600 0.171 0.000 1.049 181 E CA 0.143 56.603 56.400 0.100 0.000 0.870 181 E CB 0.273 30.006 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 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G C -0.910 174.135 174.900 0.241 0.000 1.205 182 G CA -0.476 44.781 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.375 122.082 120.570 0.228 0.000 2.359 183 I HA 0.550 4.720 4.170 -0.000 0.000 0.294 183 I C 0.631 176.802 176.117 0.090 0.000 0.987 183 I CA -0.613 60.788 61.300 0.169 0.000 1.225 183 I CB 1.365 39.483 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.278 127.123 119.800 0.074 0.000 2.314 184 Q HA 0.257 4.597 4.340 -0.000 0.000 0.258 184 Q C 0.164 176.206 176.000 0.070 0.000 0.954 184 Q CA -0.099 55.729 55.803 0.042 0.000 0.890 184 Q CB 0.944 29.688 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.183 120.780 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.284 176.442 176.117 0.069 0.000 1.422 185 I CA -0.363 60.989 61.300 0.087 0.000 1.150 185 I CB 0.887 38.886 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.112 120.185 120.300 -0.006 0.000 2.326 194 Y HA 0.829 5.379 4.550 -0.000 0.000 0.324 194 Y C 1.023 176.886 175.900 -0.063 0.000 1.291 194 Y CA -1.313 56.781 58.100 -0.010 0.000 1.348 194 Y CB 0.491 38.965 38.460 0.023 0.000 1.294 194 Y HN 1.422 nan 8.280 nan 0.000 0.525 195 A N 1.493 124.250 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.043 177.470 177.584 -0.261 0.000 1.089 195 A CA 0.053 51.935 52.037 -0.259 0.000 0.794 195 A CB -0.033 18.720 19.000 -0.411 0.000 1.029 195 A HN 0.891 nan 8.150 nan 0.000 0.488 196 D N 2.436 122.598 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 196 D C 1.512 177.564 176.300 -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 41.501 40.800 -0.256 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.378 122.647 120.400 -0.217 0.000 2.173 197 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 197 K C 1.857 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.371 58.564 56.287 -0.157 0.000 0.929 197 K CB -1.673 30.892 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.070 112.465 114.554 -0.032 0.000 2.849 198 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 198 T C 1.614 176.393 174.700 0.132 0.000 1.066 198 T CA 1.608 63.753 62.100 0.074 0.000 1.130 198 T CB -0.424 68.531 68.868 0.145 0.000 0.864 198 T HN 1.040 nan 8.240 nan 0.000 0.481 199 F N -0.615 119.263 119.950 -0.120 0.000 2.938 199 F HA 0.515 5.042 4.527 0.000 0.000 0.370 199 F C 0.077 175.763 175.800 -0.191 0.000 0.981 199 F CA -1.168 56.758 58.000 -0.125 0.000 1.108 199 F CB 0.276 39.225 39.000 -0.085 0.000 1.086 199 F HN 0.010 nan 8.300 nan 0.000 0.569 200 Q N 3.898 123.150 119.800 -0.914 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.635 172.816 176.000 -0.915 0.000 0.936 200 Q CA -2.239 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.821 29.965 28.738 -0.989 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.173 177.300 -0.249 0.000 1.258 201 P CA -0.457 62.344 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.200 31.700 -0.420 0.000 1.063 202 E N 1.674 121.804 120.200 -0.117 0.000 2.167 202 E HA 0.150 4.500 4.350 -0.000 0.000 0.284 202 E C -1.604 175.014 176.600 0.031 0.000 1.016 202 E CA -1.765 54.637 56.400 0.005 0.000 0.817 202 E CB 0.433 30.180 29.700 0.079 0.000 1.080 202 E HN 0.317 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 64.562 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 -0.773 119.064 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.635 56.476 55.803 0.065 0.000 0.865 204 Q CB -0.504 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 1.384 122.007 120.570 0.087 0.000 2.395 205 I HA 0.454 4.624 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 -0.247 61.117 61.300 0.106 0.000 1.350 205 I CB 1.001 39.097 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.426 112.260 108.800 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 -0.900 173.982 174.900 -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 -1.102 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.301 177.860 176.600 -0.067 0.000 1.047 207 E CA 0.435 56.783 56.400 -0.086 0.000 0.874 207 E CB 0.878 30.512 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.390 116.042 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 208 S C 1.689 176.236 174.600 -0.088 0.000 1.027 208 S CA 1.451 59.615 58.200 -0.060 0.000 0.965 208 S CB -0.365 62.807 63.200 -0.047 0.000 0.812 208 S HN 1.224 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 0.728 176.565 176.000 -0.272 0.000 1.045 209 Q CA 0.246 55.810 55.803 -0.399 0.000 0.956 209 Q CB -0.568 27.628 28.738 -0.904 0.000 1.249 209 Q HN 1.010 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 0.134 176.611 176.519 -0.070 0.000 1.188 210 W CA 0.224 57.489 57.345 -0.133 0.000 1.651 210 W CB 0.060 29.506 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.848 120.776 120.300 -0.620 0.000 2.565 211 Y HA 0.696 5.246 4.550 -0.000 0.000 0.325 211 Y C 0.329 176.075 175.900 -0.258 0.000 1.221 211 Y CA -1.832 55.925 58.100 -0.572 0.000 1.316 211 Y CB -0.667 37.169 38.460 -1.039 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.782 119.521 120.200 0.171 0.000 2.217 212 E HA 0.471 4.821 4.350 -0.000 0.000 0.279 212 E C 0.449 177.148 176.600 0.165 0.000 1.068 212 E CA 0.263 56.727 56.400 0.107 0.000 0.882 212 E CB -0.204 29.529 29.700 0.055 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.055 114.654 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.249 213 T C 1.035 175.747 174.700 0.019 0.000 1.039 213 T CA 1.849 63.989 62.100 0.066 0.000 1.036 213 T CB -0.140 68.732 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.018 119.182 120.200 0.001 0.000 5.278 214 E HA 0.312 4.662 4.350 -0.000 0.000 0.173 214 E C 0.035 176.620 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.873 56.400 -0.013 0.000 1.205 214 E CB -2.906 26.788 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.048 122.598 120.570 -0.033 0.000 2.337 215 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 215 I C 1.110 177.183 176.117 -0.073 0.000 1.046 215 I CA 0.104 61.380 61.300 -0.041 0.000 1.324 215 I CB 0.787 38.765 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.234 120.859 118.700 -0.124 0.000 2.432 216 N HA 0.021 4.761 4.740 -0.000 0.000 0.174 216 N C -0.181 175.008 175.510 -0.536 0.000 1.037 216 N CA 0.799 53.652 53.050 -0.328 0.000 0.892 216 N CB 0.344 38.594 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.260 119.358 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.524 174.863 175.328 0.098 0.000 1.188 217 H CA -0.418 55.678 56.048 0.080 0.000 1.322 217 H CB 0.989 30.805 29.762 0.089 0.000 1.405 217 H HN 0.103 nan 8.280 nan 0.000 0.502 218 A N 2.241 125.151 122.820 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 -0.399 51.725 52.037 0.145 0.000 0.821 218 A CB 0.758 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 0.681 123.637 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 -0.000 0.000 0.304 219 A C 0.037 177.722 177.584 0.169 0.000 1.064 219 A CA -0.004 52.164 52.037 0.217 0.000 0.727 219 A CB 1.666 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 0.153 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 -1.403 173.581 174.900 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 -1.215 119.333 120.500 0.080 0.000 2.621 221 R HA 0.732 5.072 4.340 -0.000 0.000 0.292 221 R C -1.429 174.907 176.300 0.060 0.000 0.969 221 R CA -0.538 55.610 56.100 0.081 0.000 0.887 221 R CB 2.110 32.436 30.300 0.042 0.000 1.180 221 R HN 0.698 nan 8.270 nan 0.000 0.450 222 V N 5.085 125.039 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 222 V C -1.580 174.554 176.094 0.067 0.000 1.209 222 V CA -0.914 61.422 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 4.525 125.794 121.223 0.077 0.000 2.289 223 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 223 L C 0.298 177.221 176.870 0.088 0.000 1.049 223 L CA -0.522 54.362 54.840 0.074 0.000 0.804 223 L CB 1.264 43.366 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.148 122.592 120.400 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 -0.411 55.921 56.287 0.075 0.000 0.928 224 K CB 0.681 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 0.681 177.337 176.600 0.092 0.000 1.037 225 K CA 1.518 57.879 56.287 0.124 0.000 0.964 225 K CB -0.244 32.333 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.118 112.477 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.572 175.299 174.700 0.046 0.000 1.100 226 T CA -0.104 62.028 62.100 0.052 0.000 1.038 226 T CB 0.147 69.040 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.959 119.544 114.554 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 -1.414 60.711 62.100 0.041 0.000 0.967 227 T CB 1.258 70.148 68.868 0.037 0.000 0.926 227 T HN 0.121 nan 8.240 nan 0.000 0.459 228 P HA 0.024 nan 4.420 nan 0.000 0.264 228 P C -0.279 177.037 177.300 0.028 0.000 1.179 228 P CA 0.099 63.216 63.100 0.028 0.000 0.763 228 P CB 0.370 32.081 31.700 0.018 0.000 0.806 229 M N 2.812 122.423 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.567 176.870 176.300 0.005 0.000 1.216 229 M CA 0.472 55.780 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 0.136 nan 8.290 nan 0.000 0.463 230 K N 2.937 123.348 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 -0.000 0.000 0.260 230 K C -2.822 173.805 176.600 0.044 0.000 0.937 230 K CA -1.876 54.427 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 0.065 nan 4.420 nan 0.000 0.269 231 P C 1.003 178.372 177.300 0.114 0.000 1.209 231 P CA -0.284 62.865 63.100 0.082 0.000 0.776 231 P CB 0.587 32.343 31.700 0.093 0.000 0.876 232 C N 3.121 122.497 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 232 C C 1.449 176.539 174.990 0.167 0.000 1.222 232 C CA 0.526 59.624 59.018 0.135 0.000 1.746 232 C CB -1.656 26.165 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.077 121.418 120.300 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 0.094 0.000 1.212 233 Y CA 1.155 59.301 58.100 0.076 0.000 1.535 233 Y CB -0.076 38.412 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.077 111.753 108.800 -0.207 0.000 2.176 234 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 234 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 234 G C 0.165 175.107 174.900 0.071 0.000 0.979 234 G CA 0.148 45.209 45.100 -0.065 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.030 115.770 115.700 0.067 0.000 2.528 235 S HA 0.587 5.057 4.470 -0.000 0.000 0.277 235 S C -0.500 174.086 174.600 -0.023 0.000 1.297 235 S CA 0.035 58.254 58.200 0.031 0.000 1.052 235 S CB 1.127 64.352 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.238 121.365 120.300 -0.289 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.245 174.504 175.900 -0.252 0.000 1.062 236 Y CA -0.801 57.025 58.100 -0.457 0.000 1.023 236 Y CB 1.275 39.051 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.864 128.008 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.284 237 A C -1.448 175.593 177.584 -0.905 0.000 1.049 237 A CA -0.970 50.590 52.037 -0.796 0.000 0.760 237 A CB 0.635 19.425 19.000 -0.348 0.000 1.274 237 A HN 0.811 nan 8.150 nan 0.000 0.412 238 K N 3.192 123.164 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.610 4.320 -0.000 0.000 0.279 238 K C -2.392 174.097 176.600 -0.185 0.000 0.993 238 K CA -0.547 55.544 56.287 -0.327 0.000 1.030 238 K CB 0.128 32.592 32.500 -0.060 0.000 0.891 238 K HN 0.309 nan 8.250 nan 0.000 0.488 239 P HA -0.018 nan 4.420 nan 0.000 0.271 239 P C 0.007 177.285 177.300 -0.037 0.000 1.216 239 P CA -0.291 62.773 63.100 -0.060 0.000 0.776 239 P CB 1.093 32.776 31.700 -0.028 0.000 0.881 240 T N -1.916 112.621 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.212 174.905 174.700 -0.011 0.000 1.019 240 T CA -0.278 61.813 62.100 -0.015 0.000 0.921 240 T CB -0.742 68.120 68.868 -0.010 0.000 1.053 240 T HN 0.596 nan 8.240 nan 0.000 0.533 241 N N -1.514 117.173 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.584 176.052 175.510 -0.070 0.000 1.237 241 N CA -0.305 52.724 53.050 -0.035 0.000 0.838 241 N CB 0.691 39.164 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.168 120.317 120.200 -0.085 0.000 2.393 242 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 242 E C 0.418 176.911 176.600 -0.178 0.000 1.025 242 E CA 1.590 57.926 56.400 -0.106 0.000 0.856 242 E CB -0.863 28.779 29.700 -0.096 0.000 0.771 242 E HN 0.610 nan 8.360 nan 0.000 0.526 243 N N -0.972 117.567 118.700 -0.268 0.000 2.270 243 N HA 0.234 4.974 4.740 -0.000 0.000 0.198 243 N C 1.344 176.709 175.510 -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 -1.232 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.098 108.833 108.800 -0.108 0.000 2.217 244 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 244 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 244 G C 0.536 175.438 174.900 0.004 0.000 0.990 244 G CA -0.101 44.979 45.100 -0.032 0.000 0.627 244 G HN 0.553 nan 8.290 nan 0.000 0.522 245 G N -0.189 108.631 108.800 0.032 0.000 2.353 245 G HA2 0.433 4.393 3.960 -0.000 0.000 0.239 245 G HA3 0.433 4.393 3.960 -0.000 0.000 0.239 245 G C 0.567 175.470 174.900 0.004 0.000 1.295 245 G CA 0.561 45.695 45.100 0.057 0.000 0.884 245 G HN 0.578 nan 8.290 nan 0.000 0.537 246 Q N 1.193 120.986 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.287 177.269 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.617 55.803 -0.048 0.000 0.990 246 Q CB 1.168 29.847 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.156 109.954 108.800 -0.003 0.000 2.340 247 G HA2 0.219 4.179 3.960 -0.000 0.000 0.245 247 G HA3 0.219 4.179 3.960 -0.000 0.000 0.245 247 G C -0.186 174.716 174.900 0.003 0.000 1.294 247 G CA -0.395 44.709 45.100 0.007 0.000 0.896 247 G HN 0.198 nan 8.290 nan 0.000 0.522 248 I N 1.167 121.738 120.570 0.002 0.000 2.752 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.287 248 I C 0.583 176.706 176.117 0.009 0.000 1.188 248 I CA 0.392 61.694 61.300 0.002 0.000 1.427 248 I CB 0.665 38.667 38.000 0.003 0.000 1.365 248 I HN 0.214 nan 8.210 nan 0.000 0.585 249 L N 6.828 128.056 121.223 0.008 0.000 2.295 249 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 249 L C -0.128 176.749 176.870 0.011 0.000 1.035 249 L CA -0.639 54.208 54.840 0.011 0.000 0.806 249 L CB 1.424 43.489 42.059 0.010 0.000 1.214 249 L HN 0.319 nan 8.230 nan 0.000 0.426 259 S N 0.163 115.877 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 259 S C 0.690 175.308 174.600 0.030 0.000 1.320 259 S CA 0.251 58.469 58.200 0.029 0.000 1.058 259 S CB 0.848 64.070 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.926 122.743 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.312 175.709 176.000 0.035 0.000 0.832 260 Q CA -0.216 55.604 55.803 0.029 0.000 1.010 260 Q CB 0.733 29.485 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.746 121.688 119.914 0.047 0.000 2.763 261 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 261 V C 0.472 176.595 176.094 0.048 0.000 1.059 261 V CA 0.653 62.991 62.300 0.063 0.000 1.138 261 V CB 0.615 32.499 31.823 0.102 0.000 0.940 261 V HN 0.391 nan 8.190 nan 0.000 0.489 262 E N 4.938 125.152 120.200 0.023 0.000 2.281 262 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 262 E C -0.603 175.931 176.600 -0.110 0.000 0.893 262 E CA -0.833 55.555 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 0.957 120.429 119.600 -0.213 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 -0.391 0.000 1.130 263 M CA -0.099 54.899 55.300 -0.504 0.000 1.162 263 M CB 0.390 32.483 32.600 -0.846 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.183 121.682 119.800 -0.501 0.000 2.310 264 Q HA 0.537 4.877 4.340 -0.000 0.000 0.270 264 Q C -1.643 174.014 176.000 -0.572 0.000 1.025 264 Q CA -0.392 55.192 55.803 -0.364 0.000 0.772 264 Q CB 1.824 30.498 28.738 -0.106 0.000 1.253 264 Q HN 0.528 nan 8.270 nan 0.000 0.450 265 F N 1.897 121.566 119.950 -0.469 0.000 2.379 265 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 265 F C -0.168 175.213 175.800 -0.698 0.000 1.096 265 F CA -0.470 57.310 58.000 -0.366 0.000 1.105 265 F CB 0.694 39.571 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.075 119.942 119.950 0.110 0.000 2.613 266 F HA 0.645 5.172 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 -0.715 57.312 58.000 0.044 0.000 0.945 266 F CB 2.204 41.199 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.556 115.272 115.700 0.213 0.000 2.651 267 S HA 0.582 5.052 4.470 -0.000 0.000 0.279 267 S C 0.097 174.752 174.600 0.092 0.000 1.148 267 S CA -0.491 57.778 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 0.366 114.951 114.554 0.051 0.000 4.971 268 T HA 0.467 4.816 4.350 -0.000 0.000 0.217 268 T C 0.920 175.637 174.700 0.029 0.000 0.770 268 T CA 0.883 63.003 62.100 0.033 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 -0.143 121.077 121.223 -0.005 0.000 2.999 279 L HA 0.491 4.831 4.340 -0.000 0.000 0.304 279 L C 1.172 178.039 176.870 -0.005 0.000 1.104 279 L CA 1.533 56.368 54.840 -0.008 0.000 0.911 279 L CB -1.397 40.650 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.826 118.386 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.085 172.647 174.700 0.054 0.000 0.960 280 T CA -0.787 61.330 62.100 0.028 0.000 1.041 280 T CB 0.780 69.673 68.868 0.043 0.000 1.065 280 T HN 0.742 nan 8.240 nan 0.000 0.459 281 P HA 0.330 nan 4.420 nan 0.000 0.261 281 P C 0.855 178.241 177.300 0.143 0.000 1.183 281 P CA 0.137 63.323 63.100 0.144 0.000 0.761 281 P CB 0.662 32.515 31.700 0.254 0.000 0.785 282 K N 1.984 122.448 120.400 0.107 0.000 2.323 282 K HA 0.251 4.571 4.320 -0.000 0.000 0.197 282 K C 0.764 177.410 176.600 0.076 0.000 1.043 282 K CA 0.775 57.084 56.287 0.036 0.000 0.997 282 K CB 0.184 32.683 32.500 -0.001 0.000 0.807 282 K HN 0.399 nan 8.250 nan 0.000 0.497 283 V N -0.073 119.926 119.914 0.141 0.000 2.925 283 V HA 0.658 4.778 4.120 -0.000 0.000 0.311 283 V C -1.390 174.804 176.094 0.168 0.000 1.104 283 V CA -0.715 61.667 62.300 0.137 0.000 0.954 283 V CB 1.976 33.845 31.823 0.077 0.000 1.022 283 V HN 0.296 nan 8.190 nan 0.000 0.427 284 V N 5.738 125.684 119.914 0.054 0.000 2.686 284 V HA 0.716 4.836 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 -0.319 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.885 33.418 31.823 -0.483 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.159 127.247 121.223 -0.224 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.380 175.320 176.870 -0.284 0.000 1.007 285 L CA -0.751 54.026 54.840 -0.105 0.000 0.818 285 L CB 2.263 44.330 42.059 0.013 0.000 1.284 285 L HN 0.657 nan 8.230 nan 0.000 0.424 286 Y N 1.009 121.259 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 4.550 -0.000 0.000 0.338 286 Y C 0.857 176.734 175.900 -0.039 0.000 1.057 286 Y CA -0.653 57.399 58.100 -0.080 0.000 1.314 286 Y CB 0.784 39.189 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.145 118.865 115.700 0.033 0.000 2.548 287 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 287 S C -0.291 174.341 174.600 0.054 0.000 1.315 287 S CA -0.563 57.665 58.200 0.046 0.000 1.050 287 S CB 0.933 64.152 63.200 0.032 0.000 0.918 287 S HN 0.744 nan 8.310 nan 0.000 0.497 288 E N 1.122 121.354 120.200 0.054 0.000 2.423 288 E HA 0.408 4.758 4.350 -0.000 0.000 0.280 288 E C -2.063 174.559 176.600 0.037 0.000 1.030 288 E CA -1.008 55.419 56.400 0.045 0.000 0.812 288 E CB 0.898 30.625 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.224 121.640 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.458 175.846 176.300 0.006 0.000 1.062 289 D CA -0.292 53.721 54.000 0.021 0.000 0.832 289 D CB 1.985 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 -0.382 119.530 119.914 -0.004 0.000 3.046 290 V HA 0.500 4.620 4.120 -0.000 0.000 0.316 290 V C 0.003 176.076 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.352 34.144 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.165 122.530 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.032 176.291 176.300 -0.068 0.000 1.133 291 D CA -0.065 53.907 54.000 -0.048 0.000 1.017 291 D CB 0.030 40.806 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.440 122.981 120.570 -0.048 0.000 2.618 292 I HA -0.029 4.141 4.170 -0.000 0.000 0.284 292 I C 0.252 176.362 176.117 -0.011 0.000 1.146 292 I CA 0.543 61.816 61.300 -0.045 0.000 1.425 292 I CB 0.306 38.293 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.705 123.906 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.045 175.578 176.600 0.038 0.000 0.950 293 E CA -0.905 55.522 56.400 0.044 0.000 0.796 293 E CB 1.683 31.441 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.241 112.339 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.313 172.424 174.700 0.061 0.000 1.187 294 T CA -1.246 60.885 62.100 0.050 0.000 1.667 294 T CB 0.478 69.382 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 0.429 177.760 177.300 0.053 0.000 1.148 295 P CA 1.211 64.338 63.100 0.045 0.000 0.779 295 P CB 0.049 31.763 31.700 0.024 0.000 0.780 296 D N -2.273 118.183 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.022 176.373 176.300 0.086 0.000 1.393 296 D CA -0.264 53.769 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.053 0.000 1.110 296 D HN 0.126 nan 8.370 nan 0.000 0.495 297 T N -2.735 111.893 114.554 0.124 0.000 2.865 297 T HA 0.643 4.993 4.350 -0.000 0.000 0.294 297 T C -0.628 174.204 174.700 0.219 0.000 1.119 297 T CA -0.831 61.371 62.100 0.171 0.000 1.007 297 T CB 2.587 71.532 68.868 0.129 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.598 118.502 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 -0.000 0.000 0.350 298 H C -1.183 174.162 175.328 0.029 0.000 1.238 298 H CA -1.457 54.605 56.048 0.022 0.000 1.124 298 H CB 0.806 30.558 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.782 123.354 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.571 177.634 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.442 61.300 -0.052 0.000 1.351 299 I CB 0.997 38.985 38.000 -0.020 0.000 1.410 299 I HN 0.751 nan 8.210 nan 0.000 0.505 300 S N 6.033 121.660 115.700 -0.122 0.000 2.528 300 S HA -0.038 4.432 4.470 -0.000 0.000 0.219 300 S C 0.218 174.867 174.600 0.081 0.000 0.985 300 S CA 0.248 58.402 58.200 -0.076 0.000 0.914 300 S CB -0.053 63.077 63.200 -0.117 0.000 0.776 300 S HN 0.618 nan 8.310 nan 0.000 0.526 301 Y N 1.161 121.418 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 301 Y C -1.165 174.708 175.900 -0.046 0.000 1.135 301 Y CA -1.196 56.873 58.100 -0.050 0.000 1.213 301 Y CB 0.977 39.404 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.611 127.872 119.600 -0.564 0.000 2.084 302 M HA 0.351 4.831 4.480 -0.000 0.000 0.351 302 M C -1.947 173.876 176.300 -0.794 0.000 1.240 302 M CA -2.812 52.185 55.300 -0.505 0.000 1.083 302 M CB 1.134 33.579 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.089 nan 4.420 nan 0.000 0.235 303 P C -0.659 176.494 177.300 -0.244 0.000 1.177 303 P CA 0.641 63.455 63.100 -0.476 0.000 0.785 303 P CB 0.433 32.004 31.700 -0.215 0.000 0.885 304 T N -2.113 112.317 114.554 -0.208 0.000 3.097 304 T HA 0.424 4.774 4.350 -0.000 0.000 0.332 304 T C 0.501 175.135 174.700 -0.109 0.000 1.269 304 T CA -0.423 61.598 62.100 -0.131 0.000 1.076 304 T CB 1.092 69.899 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.736 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.988 177.077 176.117 -0.047 0.000 1.287 305 I CA -0.081 61.182 61.300 -0.061 0.000 1.192 305 I CB -2.030 35.941 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.867 121.236 120.400 -0.053 0.000 2.293 306 K HA 0.765 5.085 4.320 -0.000 0.000 0.267 306 K C 0.257 176.834 176.600 -0.038 0.000 1.010 306 K CA 0.126 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.419 32.059 32.500 -0.038 0.000 1.106 306 K HN 1.476 nan 8.250 nan 0.000 0.450 307 E N 0.254 120.440 120.200 -0.024 0.000 2.447 307 E HA 0.516 4.866 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 -0.245 29.451 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.521 109.320 108.800 -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 -0.362 174.539 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.957 nan 8.290 nan 0.000 0.605 309 N N 0.186 118.904 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 -0.000 0.000 0.262 309 N C 0.563 176.068 175.510 -0.008 0.000 1.202 309 N CA 0.669 53.730 53.050 0.017 0.000 0.926 309 N CB 1.512 40.063 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.648 114.914 115.700 -0.231 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.949 174.988 174.600 -0.934 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.015 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 0.394 120.232 120.500 -1.103 0.000 2.139 311 R HA 0.037 4.377 4.340 -0.000 0.000 0.243 311 R C 2.477 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.258 58.734 56.100 -1.039 0.000 0.976 311 R CB -2.386 27.676 30.300 -0.398 0.000 0.866 311 R HN 1.241 nan 8.270 nan 0.000 0.449 312 E N 1.091 121.064 120.200 -0.377 0.000 2.070 312 E HA -0.085 4.265 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 1.440 57.697 56.400 -0.238 0.000 0.805 312 E CB -0.671 28.927 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.218 120.843 121.223 -0.271 0.000 2.450 313 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 313 L C 2.780 179.521 176.870 -0.215 0.000 1.149 313 L CA 0.709 55.421 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.656 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.823 118.590 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.819 178.008 176.300 -0.184 0.000 1.071 314 M CA 1.321 56.439 55.300 -0.302 0.000 1.096 314 M CB -0.533 31.782 32.600 -0.476 0.000 1.408 314 M HN 0.337 nan 8.290 nan 0.000 0.463 315 G N 0.434 109.162 108.800 -0.120 0.000 3.088 315 G HA2 0.058 4.018 3.960 -0.000 0.000 0.217 315 G HA3 0.058 4.018 3.960 -0.000 0.000 0.217 315 G C 0.388 175.354 174.900 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 0.039 119.857 119.800 0.029 0.000 2.392 316 Q HA 0.435 4.775 4.340 -0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.059 55.894 55.803 0.054 0.000 0.888 316 Q CB 0.789 29.500 28.738 -0.046 0.000 1.260 316 Q HN 0.219 nan 8.270 nan 0.000 0.435 317 Q N 0.936 120.803 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.242 174.758 176.000 -0.001 0.000 1.038 317 Q CA -0.645 55.185 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 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.346 118.038 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.990 173.574 174.600 -0.059 0.000 1.115 318 S CA -0.626 57.584 58.200 0.016 0.000 1.059 318 S CB 0.820 64.136 63.200 0.193 0.000 1.046 318 S HN 0.665 nan 8.310 nan 0.000 0.506 319 M N 5.019 124.556 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.833 173.467 176.300 0.001 0.000 1.136 319 M CA -2.011 53.214 55.300 -0.124 0.000 0.917 319 M CB 2.358 34.786 32.600 -0.286 0.000 1.669 319 M HN 0.409 nan 8.290 nan 0.000 0.461 320 P HA 0.108 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.173 177.300 0.173 0.000 1.209 320 P CA 0.007 63.225 63.100 0.198 0.000 0.776 320 P CB 0.262 32.078 31.700 0.193 0.000 0.876 321 N N 1.722 120.509 118.700 0.146 0.000 2.503 321 N HA 0.157 4.897 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 -0.267 52.839 53.050 0.092 0.000 0.959 321 N CB 0.219 38.751 38.487 0.075 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 -0.997 54.984 56.100 -0.198 0.000 1.065 322 R CB -0.190 29.927 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.002 nan 4.420 nan 0.000 0.268 323 P C -0.851 176.282 177.300 -0.279 0.000 1.205 323 P CA -0.004 62.869 63.100 -0.378 0.000 0.771 323 P CB 0.533 32.014 31.700 -0.365 0.000 0.858 324 N N 2.029 120.463 118.700 -0.442 0.000 2.621 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.271 324 N C -1.698 173.645 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.448 53.050 -0.242 0.000 0.805 324 N CB 0.148 38.565 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.607 122.942 120.300 0.058 0.000 2.319 325 Y HA 0.463 5.013 4.550 0.000 0.000 0.328 325 Y C 0.608 176.620 175.900 0.186 0.000 1.133 325 Y CA -0.069 58.135 58.100 0.172 0.000 1.265 325 Y CB 0.897 39.446 38.460 0.150 0.000 1.218 325 Y HN 0.287 nan 8.280 nan 0.000 0.508 326 I N 2.817 123.634 120.570 0.411 0.000 2.569 326 I HA 0.770 4.940 4.170 -0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.073 0.000 1.088 326 I CA -0.693 60.660 61.300 0.090 0.000 1.047 326 I CB 1.771 39.757 38.000 -0.023 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.644 127.396 122.820 -0.112 0.000 2.511 327 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 327 A C -1.505 175.978 177.584 -0.168 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.174 0.000 0.643 327 A CB 0.660 19.638 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.222 121.148 119.950 -0.040 0.000 2.444 328 F HA 0.468 4.995 4.527 0.000 0.000 0.331 328 F C 1.554 177.332 175.800 -0.036 0.000 1.167 328 F CA 0.583 58.590 58.000 0.012 0.000 1.262 328 F CB 0.620 39.715 39.000 0.158 0.000 1.196 328 F HN 0.530 nan 8.300 nan 0.000 0.583 329 R N 0.149 120.775 120.500 0.210 0.000 2.583 329 R HA 0.150 4.490 4.340 -0.000 0.000 0.268 329 R C -0.813 175.456 176.300 -0.052 0.000 1.101 329 R CA -0.921 55.223 56.100 0.074 0.000 1.180 329 R CB 0.200 30.564 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.290 121.664 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.199 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.687 54.643 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.952 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.556 122.187 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.056 175.502 175.510 0.080 0.000 1.112 331 N CA 0.878 53.932 53.050 0.007 0.000 0.750 331 N CB -1.461 37.128 38.487 0.170 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.822 118.190 119.950 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 0.087 0.000 1.063 332 F CB -2.080 36.945 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.389 121.092 120.570 0.221 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.645 177.884 176.117 0.205 0.000 1.220 333 I CA 1.600 63.017 61.300 0.195 0.000 1.435 333 I CB 0.051 38.134 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.314 113.218 108.800 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 0.901 175.851 174.900 0.083 0.000 1.033 334 G CA 0.405 45.573 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.183 121.507 121.223 0.169 0.000 1.989 335 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 335 L C 1.911 178.824 176.870 0.071 0.000 1.071 335 L CA 1.652 56.604 54.840 0.186 0.000 0.749 335 L CB -0.217 41.967 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.057 117.507 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.062 175.038 176.300 -0.333 0.000 1.177 336 M CA -0.374 54.743 55.300 -0.306 0.000 1.068 336 M CB 1.354 33.643 32.600 -0.519 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.321 121.454 120.300 -0.277 0.000 2.319 337 Y HA 0.327 4.877 4.550 -0.000 0.000 0.328 337 Y C -0.889 174.851 175.900 -0.268 0.000 1.133 337 Y CA 0.479 58.466 58.100 -0.188 0.000 1.265 337 Y CB 0.579 38.928 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 0.269 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.070 175.933 175.900 0.171 0.000 1.076 338 Y CA -2.556 55.680 58.100 0.226 0.000 1.029 338 Y CB 1.435 40.055 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.383 118.511 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.693 174.906 175.510 0.148 0.000 1.033 339 N CA 0.977 54.162 53.050 0.224 0.000 0.727 339 N CB -1.230 37.415 38.487 0.263 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.959 114.795 115.700 0.089 0.000 2.756 340 S HA 0.538 5.008 4.470 -0.000 0.000 0.303 340 S C 1.143 175.712 174.600 -0.052 0.000 1.135 340 S CA -0.620 57.607 58.200 0.045 0.000 1.066 340 S CB 0.977 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 2.759 341 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.119 0.000 1.042 341 T CA 2.044 64.096 62.100 -0.081 0.000 1.140 341 T CB -0.259 68.578 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.455 342 G N 1.387 110.118 108.800 -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 0.931 175.688 174.900 -0.237 0.000 1.135 342 G CA 0.134 45.150 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.261 118.762 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 -0.000 0.000 0.313 343 N C -0.615 174.601 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 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 0.220 4.700 4.480 -0.000 0.000 0.353 344 M C 0.897 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.115 54.892 55.300 -0.490 0.000 1.115 344 M CB 0.636 33.032 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.323 111.404 108.800 -1.198 0.000 2.699 345 G HA2 0.444 4.404 3.960 -0.000 0.000 0.246 345 G HA3 0.444 4.404 3.960 -0.000 0.000 0.246 345 G C -1.166 173.288 174.900 -0.743 0.000 1.219 345 G CA -0.626 43.396 45.100 -1.796 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.546 120.274 119.914 -0.310 0.000 2.733 346 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 346 V C -0.944 175.349 176.094 0.331 0.000 1.084 346 V CA -0.575 61.735 62.300 0.017 0.000 0.905 346 V CB 1.771 33.587 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.717 126.114 121.223 0.290 0.000 2.518 347 L HA 0.937 5.277 4.340 -0.000 0.000 0.262 347 L C -0.355 176.647 176.870 0.220 0.000 0.982 347 L CA 0.059 55.087 54.840 0.313 0.000 0.873 347 L CB 1.173 43.388 42.059 0.260 0.000 1.198 347 L HN 0.866 nan 8.230 nan 0.000 0.427 348 A N 2.808 125.772 122.820 0.240 0.000 2.515 348 A HA 0.835 5.155 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 -0.208 51.961 52.037 0.220 0.000 0.698 348 A CB 1.311 20.398 19.000 0.145 0.000 1.289 348 A HN 0.816 nan 8.150 nan 0.000 0.404 349 G N 0.064 109.006 108.800 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 0.390 175.295 174.900 0.009 0.000 1.270 349 G CA -0.174 44.970 45.100 0.074 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.745 121.509 119.800 -0.059 0.000 2.234 350 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 350 Q C 2.594 178.578 176.000 -0.026 0.000 0.980 350 Q CA 1.479 57.266 55.803 -0.027 0.000 0.869 350 Q CB -0.014 28.699 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.297 122.493 122.820 -0.049 0.000 2.218 351 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 351 A C 2.036 179.622 177.584 0.003 0.000 1.168 351 A CA 1.172 53.191 52.037 -0.030 0.000 0.804 351 A CB -0.129 18.842 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.799 112.916 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.480 176.110 174.600 0.050 0.000 1.067 352 S CA 1.689 59.920 58.200 0.050 0.000 0.908 352 S CB -0.062 63.187 63.200 0.082 0.000 0.809 352 S HN 1.596 nan 8.310 nan 0.000 0.491 353 Q N -0.698 119.131 119.800 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 1.419 57.248 55.803 0.045 0.000 1.411 353 Q CB -2.669 26.086 28.738 0.027 0.000 1.717 353 Q HN 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.732 122.996 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.040 176.966 176.870 0.093 0.000 1.065 354 L CA -0.565 54.320 54.840 0.075 0.000 0.806 354 L CB 1.445 43.556 42.059 0.085 0.000 1.175 354 L HN 0.548 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 0.719 176.307 175.510 0.131 0.000 1.103 355 N CA 0.476 53.578 53.050 0.087 0.000 0.954 355 N CB 1.412 39.919 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 0.029 4.349 4.320 -0.000 0.000 0.219 356 A C 0.615 178.391 177.584 0.319 0.000 1.158 356 A CA 0.525 52.697 52.037 0.225 0.000 0.661 356 A CB -0.018 19.089 19.000 0.178 0.000 0.801 356 A HN 0.450 nan 8.150 nan 0.000 0.452 357 V N 0.848 120.891 119.914 0.216 0.000 2.461 357 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 357 V C -0.539 175.542 176.094 -0.020 0.000 1.047 357 V CA -0.105 62.288 62.300 0.155 0.000 0.955 357 V CB 1.260 33.080 31.823 -0.004 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.449 124.279 119.914 -0.140 0.000 2.498 358 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 358 V C -0.571 175.355 176.094 -0.280 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.596 32.997 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.159 123.453 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.818 175.491 176.300 0.015 0.000 1.029 359 D CA -0.256 53.727 54.000 -0.028 0.000 0.990 359 D CB 2.225 42.959 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.225 122.513 121.223 0.108 0.000 2.388 360 L HA 0.340 4.680 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 -0.730 54.167 54.840 0.095 0.000 0.817 360 L CB 2.163 44.292 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.055 119.905 119.800 0.083 0.000 2.297 361 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 361 Q C 0.472 176.540 176.000 0.113 0.000 0.962 361 Q CA 0.983 56.838 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 0.622 nan 8.270 nan 0.000 0.462 362 D N 0.374 120.843 120.400 0.114 0.000 2.317 362 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 362 D C 0.411 176.805 176.300 0.158 0.000 0.966 362 D CA 0.399 54.474 54.000 0.125 0.000 0.876 362 D CB 0.245 41.108 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.311 120.919 120.500 0.181 0.000 2.500 363 R HA 0.257 4.597 4.340 -0.000 0.000 0.277 363 R C -0.565 175.855 176.300 0.200 0.000 1.026 363 R CA -0.482 55.733 56.100 0.192 0.000 1.058 363 R CB 0.632 31.086 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.303 120.088 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.310 175.232 175.510 0.053 0.000 1.250 364 N CA -0.152 52.947 53.050 0.082 0.000 0.820 364 N CB 1.298 39.749 38.487 -0.061 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.871 115.476 114.554 0.086 0.000 2.674 365 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 365 T C 1.371 176.031 174.700 -0.066 0.000 1.039 365 T CA 1.181 63.269 62.100 -0.020 0.000 1.150 365 T CB 0.170 68.927 68.868 -0.186 0.000 0.864 365 T HN 0.443 nan 8.240 nan 0.000 0.427 366 E N 0.845 121.034 120.200 -0.019 0.000 2.058 366 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 366 E C 2.275 178.891 176.600 0.028 0.000 0.997 366 E CA 0.925 57.344 56.400 0.032 0.000 0.801 366 E CB -0.574 29.187 29.700 0.103 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.114 122.318 121.223 -0.031 0.000 2.046 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 367 L C 2.526 179.376 176.870 -0.033 0.000 1.077 367 L CA 1.770 56.569 54.840 -0.068 0.000 0.747 367 L CB -0.752 41.246 42.059 -0.102 0.000 0.896 367 L HN -0.005 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.965 115.700 0.012 0.000 2.387 368 S HA -0.308 4.162 4.470 -0.000 0.000 0.230 368 S C 2.093 176.725 174.600 0.052 0.000 1.035 368 S CA 1.660 59.897 58.200 0.061 0.000 1.014 368 S CB -0.606 62.629 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.674 121.920 120.300 -0.089 0.000 2.314 369 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 369 Y C 2.554 178.379 175.900 -0.125 0.000 1.129 369 Y CA 1.642 59.673 58.100 -0.115 0.000 1.201 369 Y CB -0.293 38.099 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.087 119.857 119.800 -0.049 0.000 2.050 370 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.710 57.439 55.803 -0.123 0.000 0.840 370 Q CB -0.519 28.114 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.198 121.283 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.413 179.006 176.870 -0.463 0.000 1.095 371 L CA 0.352 55.072 54.840 -0.200 0.000 0.770 371 L CB -0.453 41.608 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.098 120.719 121.223 -0.676 0.000 2.046 372 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 372 L C 2.346 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.634 55.888 54.840 -0.977 0.000 0.747 372 L CB -0.313 41.349 42.059 -0.661 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.423 120.516 121.223 -0.474 0.000 2.012 373 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 373 L C 2.342 179.114 176.870 -0.164 0.000 1.073 373 L CA 1.955 56.603 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 -0.282 120.070 120.400 -0.079 0.000 2.149 374 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 374 D C 2.249 178.535 176.300 -0.023 0.000 0.990 374 D CA 1.518 55.526 54.000 0.014 0.000 0.839 374 D CB 0.135 41.069 40.800 0.223 0.000 0.948 374 D HN 0.289 nan 8.370 nan 0.000 0.460 375 S N -0.129 115.513 115.700 -0.097 0.000 2.428 375 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 375 S C 2.046 176.619 174.600 -0.045 0.000 1.014 375 S CA 0.880 59.048 58.200 -0.053 0.000 0.957 375 S CB -0.712 62.441 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.067 118.445 120.570 -0.097 0.000 3.956 376 I HA 0.587 4.757 4.170 -0.000 0.000 0.333 376 I C 0.698 176.789 176.117 -0.043 0.000 1.302 376 I CA -0.101 61.161 61.300 -0.063 0.000 1.122 376 I CB -0.043 37.907 38.000 -0.083 0.000 1.013 376 I HN 0.389 nan 8.210 nan 0.000 0.405 377 G N 0.847 109.624 108.800 -0.039 0.000 2.490 377 G HA2 0.118 4.078 3.960 -0.000 0.000 0.308 377 G HA3 0.118 4.078 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 -0.390 44.693 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.052 120.437 120.400 -0.025 0.000 2.456 378 D HA 0.330 4.970 4.640 -0.000 0.000 0.219 378 D C 1.451 177.735 176.300 -0.027 0.000 1.126 378 D CA -0.690 53.291 54.000 -0.032 0.000 0.890 378 D CB 0.987 41.762 40.800 -0.042 0.000 1.025 378 D HN 0.187 nan 8.370 nan 0.000 0.511 379 R N 1.143 121.623 120.500 -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 1.033 57.125 56.100 -0.013 0.000 1.021 379 R CB -1.109 29.158 30.300 -0.055 0.000 0.852 379 R HN 0.566 nan 8.270 nan 0.000 0.475 380 T N -2.281 112.248 114.554 -0.041 0.000 3.023 380 T HA 0.064 4.414 4.350 -0.000 0.000 0.266 380 T C 0.907 175.518 174.700 -0.149 0.000 1.093 380 T CA 0.149 62.204 62.100 -0.075 0.000 1.129 380 T CB 0.175 68.974 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.123 121.571 120.500 -0.087 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 -0.435 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 1.513 121.741 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.008 175.964 175.900 0.094 0.000 1.133 382 Y CA -1.309 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.821 38.960 38.460 -0.534 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.238 122.271 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 -0.000 0.000 0.368 383 F C 1.042 176.890 175.800 0.081 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 0.087 0.000 1.418 383 F HN 0.479 nan 8.300 nan 0.000 0.527 384 S N 5.005 120.814 115.700 0.181 0.000 2.380 384 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 384 S C 2.142 176.506 174.600 -0.393 0.000 1.043 384 S CA 1.661 59.845 58.200 -0.027 0.000 1.038 384 S CB -0.562 62.678 63.200 0.066 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.022 119.022 119.600 -0.927 0.000 2.113 385 M HA -0.165 4.315 4.480 -0.000 0.000 0.255 385 M C 1.252 177.062 176.300 -0.816 0.000 1.073 385 M CA 2.238 56.844 55.300 -1.157 0.000 1.091 385 M CB -0.310 31.203 32.600 -1.812 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.690 120.296 121.300 -0.524 0.000 3.330 386 W HA 0.245 4.905 4.660 -0.000 0.000 0.348 386 W C 0.476 176.778 176.519 -0.362 0.000 1.205 386 W CA -0.611 56.628 57.345 -0.177 0.000 1.841 386 W CB -0.176 29.223 29.460 -0.102 0.000 1.084 386 W HN 0.375 nan 8.180 nan 0.000 0.665 387 N N 1.254 119.796 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.020 175.404 175.510 -0.210 0.000 1.107 387 N CA 0.696 53.492 53.050 -0.422 0.000 0.707 387 N CB -1.129 36.627 38.487 -1.219 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.228 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.458 4.798 4.340 -0.000 0.000 0.225 388 Q C -0.751 175.256 176.000 0.011 0.000 1.309 388 Q CA 0.373 56.223 55.803 0.079 0.000 0.935 388 Q CB -0.009 28.893 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.699 126.434 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 -0.000 0.000 0.299 389 A C -0.725 176.703 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.473 0.000 0.759 389 A CB 1.001 19.518 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.560 122.430 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 4.120 -0.000 0.000 0.307 390 V C 0.051 176.141 176.094 -0.007 0.000 1.089 390 V CA 0.492 62.786 62.300 -0.009 0.000 1.212 390 V CB 0.371 32.211 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.829 125.224 120.400 -0.008 0.000 2.383 391 D HA 0.372 5.012 4.640 -0.000 0.000 0.252 391 D C 0.062 176.466 176.300 0.173 0.000 1.166 391 D CA 0.426 54.459 54.000 0.055 0.000 0.879 391 D CB 1.323 42.099 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.264 117.124 115.700 0.267 0.000 2.794 392 S HA 0.758 5.228 4.470 -0.000 0.000 0.299 392 S C -1.111 173.558 174.600 0.116 0.000 1.179 392 S CA -0.915 57.397 58.200 0.187 0.000 0.838 392 S CB 1.760 64.956 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.248 119.017 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.314 174.469 175.900 -0.195 0.000 1.123 393 Y CA -1.308 56.647 58.100 -0.242 0.000 1.046 393 Y CB 0.289 38.445 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.190 123.626 120.400 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 -2.032 51.997 54.000 0.048 0.000 0.881 394 D CB 1.616 42.415 40.800 -0.002 0.000 1.143 394 D HN 0.383 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.562 177.918 177.300 0.092 0.000 1.148 395 P CA 0.884 64.066 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 -1.330 119.133 120.400 0.106 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.777 178.198 176.300 0.203 0.000 0.970 396 D CA 0.600 54.697 54.000 0.161 0.000 0.889 396 D CB 0.012 40.918 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.280 120.230 119.914 0.059 0.000 2.575 397 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 397 V C 2.377 178.335 176.094 -0.228 0.000 1.045 397 V CA 0.594 62.821 62.300 -0.122 0.000 1.065 397 V CB -0.032 31.570 31.823 -0.368 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.567 120.896 120.500 -0.285 0.000 2.075 398 R HA 0.067 4.407 4.340 -0.000 0.000 0.232 398 R C 0.558 176.717 176.300 -0.234 0.000 1.126 398 R CA 1.487 57.338 56.100 -0.414 0.000 0.963 398 R CB -0.094 29.805 30.300 -0.670 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.438 121.941 120.570 -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 -0.702 60.560 61.300 -0.064 0.000 1.119 399 I CB 1.963 39.928 38.000 -0.059 0.000 1.261 399 I HN 0.001 nan 8.210 nan 0.000 0.448 400 I N 5.939 126.551 120.570 0.068 0.000 2.533 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 400 I C 0.617 176.846 176.117 0.186 0.000 1.109 400 I CA 0.288 61.691 61.300 0.173 0.000 1.412 400 I CB 0.482 38.600 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.677 126.991 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.674 175.933 176.600 0.013 0.000 0.925 401 E CA -0.602 55.871 56.400 0.121 0.000 0.748 401 E CB 0.560 30.327 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.413 122.160 118.700 0.078 0.000 2.663 402 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 402 N C 0.127 175.567 175.510 -0.118 0.000 1.129 402 N CA -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.196 38.817 38.487 0.222 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.419 120.370 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.072 176.264 175.328 -0.225 0.000 1.004 403 H CA 0.073 56.014 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 1.752 110.336 108.800 -0.360 0.000 2.512 404 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.240 404 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.240 404 G C -0.188 174.464 174.900 -0.413 0.000 1.246 404 G CA 0.177 45.099 45.100 -0.296 0.000 0.919 404 G HN 0.864 nan 8.290 nan 0.000 0.577 405 T N -2.579 111.862 114.554 -0.188 0.000 2.909 405 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 405 T C -0.549 174.108 174.700 -0.071 0.000 1.073 405 T CA -0.145 61.871 62.100 -0.139 0.000 0.999 405 T CB 2.337 71.163 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.281 122.443 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.279 176.295 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.076 29.748 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 0.023 4.663 4.640 -0.000 0.000 0.257 407 D C 0.534 176.804 176.300 -0.051 0.000 1.291 407 D CA -0.251 53.720 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 0.305 120.479 120.200 -0.044 0.000 2.051 408 E HA 0.023 4.373 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 0.782 57.159 56.400 -0.038 0.000 0.799 408 E CB 0.104 29.786 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.414 123.605 121.223 -0.053 0.000 2.371 409 L HA 0.245 4.585 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 0.322 42.351 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 -1.527 175.416 177.300 -0.595 0.000 1.249 410 P CA -0.600 62.265 63.100 -0.391 0.000 0.810 410 P CB 0.640 32.064 31.700 -0.459 0.000 1.008 411 N N 1.048 119.368 118.700 -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 -0.626 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.874 39.217 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.004 120.199 120.300 -0.175 0.000 2.598 412 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 412 Y C 0.223 175.801 175.900 -0.536 0.000 1.038 412 Y CA -1.427 56.415 58.100 -0.431 0.000 1.100 412 Y CB 1.144 39.183 38.460 -0.703 0.000 1.281 412 Y HN 0.519 nan 8.280 nan 0.000 0.488 413 C N 0.392 119.387 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.025 173.574 174.990 -0.653 0.000 1.226 413 C CA -1.049 57.733 59.018 -0.395 0.000 1.569 413 C CB -0.790 26.852 27.740 -0.163 0.000 2.200 413 C HN 0.613 nan 8.230 nan 0.000 0.491 414 F N 1.033 120.973 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 -0.000 0.000 0.339 414 F C -1.976 173.819 175.800 -0.008 0.000 1.071 414 F CA -2.321 55.657 58.000 -0.037 0.000 0.994 414 F CB 0.331 39.303 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 0.827 178.121 177.300 -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 1.155 122.348 121.223 -0.051 0.000 2.089 416 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 416 L C 2.143 178.632 176.870 -0.636 0.000 1.079 416 L CA 2.225 56.947 54.840 -0.196 0.000 0.758 416 L CB -1.245 40.790 42.059 -0.040 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.809 106.436 108.800 -0.925 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 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.493 44.581 45.100 -1.687 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.682 106.910 108.800 -0.346 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 0.095 174.952 174.900 -0.072 0.000 0.978 418 G CA 0.510 45.503 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.343 119.544 119.914 -0.046 0.000 3.023 419 V HA 0.674 4.794 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 1.968 33.818 31.823 0.046 0.000 1.093 419 V HN 0.366 nan 8.190 nan 0.000 0.434 420 I N 2.723 123.366 120.570 0.121 0.000 4.922 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.331 420 I C 0.536 176.696 176.117 0.072 0.000 1.260 420 I CA 0.188 61.561 61.300 0.122 0.000 1.366 420 I CB 0.796 38.865 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.825 121.554 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.111 175.417 175.510 0.030 0.000 1.268 421 N CA 0.178 53.238 53.050 0.017 0.000 1.035 421 N CB -0.113 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 -1.555 113.026 114.554 0.044 0.000 2.860 422 T HA 0.205 4.555 4.350 -0.000 0.000 0.299 422 T C 0.320 175.033 174.700 0.021 0.000 1.045 422 T CA -0.637 61.487 62.100 0.039 0.000 1.071 422 T CB 1.394 70.294 68.868 0.054 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.665 120.873 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 423 E C -1.097 175.504 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.322 31.020 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.289 118.843 114.554 -0.000 0.000 2.902 424 T HA 0.232 4.582 4.350 -0.000 0.000 0.301 424 T C 0.197 174.893 174.700 -0.006 0.000 1.012 424 T CA 0.075 62.175 62.100 -0.001 0.000 1.151 424 T CB 0.060 68.928 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.846 123.065 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 -0.000 0.000 0.256 425 L C 0.135 177.001 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.776 54.840 -0.015 0.000 0.832 425 L CB 2.568 44.610 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 -0.576 174.107 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.841 70.710 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.661 123.049 120.400 -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 -0.019 0.000 1.009 427 K CA -0.214 56.032 56.287 -0.068 0.000 0.970 427 K CB 0.479 32.890 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.768 121.674 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.608 175.591 176.094 0.175 0.000 1.115 428 V CA -0.750 61.600 62.300 0.083 0.000 0.998 428 V CB 1.910 33.775 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.608 124.146 120.400 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 0.173 0.000 0.934 429 K CA -1.872 54.527 56.287 0.186 0.000 0.802 429 K CB 1.639 34.186 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.137 121.433 121.300 -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 -0.372 56.968 57.345 -0.009 0.000 1.209 438 W CB 2.029 31.482 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.344 120.673 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.355 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.873 30.609 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.382 121.837 120.400 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 0.373 56.703 56.287 0.071 0.000 0.974 440 K CB 0.390 32.921 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.434 120.006 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.660 175.693 176.300 0.088 0.000 1.009 441 D CA 0.575 54.621 54.000 0.077 0.000 0.870 441 D CB 1.754 42.599 40.800 0.074 0.000 1.251 441 D HN 0.817 nan 8.370 nan 0.000 0.460 446 S N 0.002 115.810 115.700 0.179 0.000 2.672 446 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 446 S C 0.625 175.281 174.600 0.093 0.000 1.207 446 S CA -0.395 57.861 58.200 0.092 0.000 1.002 446 S CB 0.274 63.501 63.200 0.045 0.000 0.998 446 S HN 0.551 nan 8.310 nan 0.000 0.542 447 D N 0.388 120.819 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.602 176.921 176.300 0.030 0.000 0.963 447 D CA 1.370 55.394 54.000 0.039 0.000 0.864 447 D CB -0.199 40.616 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.247 121.665 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.747 175.867 176.600 0.023 0.000 0.962 448 K CA -0.820 55.478 56.287 0.019 0.000 0.896 448 K CB 0.428 32.931 32.500 0.005 0.000 1.147 448 K HN -0.040 nan 8.250 nan 0.000 0.445 449 N N 1.968 120.686 118.700 0.030 0.000 2.342 449 N HA 0.293 5.033 4.740 -0.000 0.000 0.293 449 N C -1.111 174.412 175.510 0.021 0.000 1.026 449 N CA -0.619 52.453 53.050 0.036 0.000 0.857 449 N CB 2.176 40.700 38.487 0.063 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.738 121.951 120.200 0.021 0.000 2.167 450 E HA 0.464 4.814 4.350 -0.000 0.000 0.284 450 E C -0.371 176.248 176.600 0.031 0.000 1.016 450 E CA -0.057 56.357 56.400 0.024 0.000 0.817 450 E CB 1.326 31.043 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.584 123.168 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.480 175.648 176.117 0.018 0.000 1.056 451 I CA -1.122 60.189 61.300 0.019 0.000 1.057 451 I CB 1.862 39.863 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.615 126.129 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 452 R C -1.564 174.743 176.300 0.012 0.000 1.054 452 R CA -0.209 55.906 56.100 0.025 0.000 0.912 452 R CB 0.927 31.249 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.016 125.935 119.914 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 0.660 62.961 62.300 0.001 0.000 0.851 453 V CB 0.294 32.112 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.361 114.164 108.800 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 -0.614 174.293 174.900 0.012 0.000 1.248 454 G CA -0.755 44.349 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.088 119.797 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.732 176.268 175.510 0.044 0.000 1.264 455 N CA 0.286 53.345 53.050 0.014 0.000 0.942 455 N CB 0.219 38.704 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 0.112 4.852 4.740 -0.000 0.000 0.260 456 N C -0.668 174.944 175.510 0.171 0.000 1.242 456 N CA -0.381 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 0.382 nan 8.380 nan 0.000 0.511 457 F N -0.100 119.886 119.950 0.060 0.000 2.467 457 F HA 0.530 5.057 4.527 -0.000 0.000 0.362 457 F C -0.167 175.656 175.800 0.038 0.000 1.090 457 F CA -0.712 57.311 58.000 0.039 0.000 1.202 457 F CB -0.160 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 7.640 130.031 122.820 -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 -0.772 0.000 1.075 458 A CA -0.904 50.699 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 1.439 120.700 119.600 -0.565 0.000 2.393 459 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 459 M C -0.433 175.790 176.300 -0.129 0.000 1.087 459 M CA -0.175 54.933 55.300 -0.320 0.000 0.937 459 M CB 1.724 34.170 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.235 122.412 120.200 -0.039 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.659 174.886 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.782 56.400 -0.033 0.000 0.842 460 E CB 2.530 32.237 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.706 123.188 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.761 174.275 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.955 39.906 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.604 126.242 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.797 176.280 175.510 -0.046 0.000 1.083 462 N CA -0.152 52.846 53.050 -0.088 0.000 0.964 462 N CB 0.517 38.957 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.834 123.027 121.223 -0.051 0.000 1.963 463 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 463 L C 1.773 178.651 176.870 0.012 0.000 1.076 463 L CA 1.230 56.058 54.840 -0.020 0.000 0.772 463 L CB -0.432 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 0.078 118.781 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 464 N C 1.817 177.380 175.510 0.088 0.000 1.031 464 N CA 1.658 54.727 53.050 0.031 0.000 0.852 464 N CB -0.386 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 1.712 124.576 122.820 0.074 0.000 1.908 465 A HA -0.153 4.167 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 -0.540 18.507 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.160 118.911 118.700 0.085 0.000 2.025 466 N HA -0.143 4.597 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 1.734 54.825 53.050 0.069 0.000 0.851 466 N CB -0.468 38.040 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.092 121.390 121.223 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 1.423 56.361 54.840 0.164 0.000 0.755 467 L CB -0.637 41.504 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.383 122.714 121.300 0.053 0.000 2.318 468 W HA -0.274 4.386 4.660 -0.000 0.000 0.313 468 W C 2.731 179.336 176.519 0.143 0.000 1.221 468 W CA 1.407 58.796 57.345 0.073 0.000 1.266 468 W CB -0.127 29.341 29.460 0.013 0.000 1.150 468 W HN 0.124 nan 8.180 nan 0.000 0.496 469 R N 0.263 120.778 120.500 0.024 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.908 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.316 58.351 56.100 -0.108 0.000 0.943 469 R CB -0.707 29.572 30.300 -0.035 0.000 0.846 469 R HN 0.157 nan 8.270 nan 0.000 0.431 470 N N -0.153 118.578 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.338 176.926 175.510 0.131 0.000 1.017 470 N CA 1.362 54.468 53.050 0.094 0.000 0.859 470 N CB -0.290 38.262 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.788 120.734 119.950 -0.006 0.000 2.146 471 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 471 F C 1.704 177.442 175.800 -0.103 0.000 1.096 471 F CA 1.012 59.008 58.000 -0.008 0.000 1.275 471 F CB -0.178 38.846 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.152 119.908 121.223 -0.272 0.000 2.027 472 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 472 L C 2.327 179.063 176.870 -0.222 0.000 1.074 472 L CA 1.520 56.127 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 0.176 nan 8.230 nan 0.000 0.433 473 Y N 0.125 120.296 120.300 -0.216 0.000 2.145 473 Y HA -0.309 4.241 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 -0.147 0.000 1.148 473 Y CB -0.278 38.112 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.094 115.599 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.796 176.426 174.600 0.050 0.000 1.032 474 S CA 1.781 59.973 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 0.039 118.681 118.700 -0.098 0.000 2.395 475 N HA 0.157 4.897 4.740 -0.000 0.000 0.175 475 N C 1.417 176.938 175.510 0.018 0.000 1.029 475 N CA 1.123 54.150 53.050 -0.038 0.000 0.897 475 N CB 0.064 38.279 38.487 -0.453 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.602 121.100 120.570 -0.121 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 -0.062 0.000 1.134 476 I CA 0.272 61.529 61.300 -0.071 0.000 1.457 476 I CB -0.516 37.401 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.457 124.162 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 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 2.134 53.989 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 -0.501 0.000 2.261 478 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 478 L C 2.009 178.582 176.870 -0.495 0.000 1.114 478 L CA 1.059 55.581 54.840 -0.529 0.000 0.777 478 L CB -0.437 41.266 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.963 119.207 120.300 -0.217 0.000 2.466 479 Y HA 0.173 4.723 4.550 -0.000 0.000 0.272 479 Y C 1.138 176.966 175.900 -0.120 0.000 1.169 479 Y CA -0.640 57.376 58.100 -0.140 0.000 1.285 479 Y CB -0.151 38.268 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.259 123.447 121.223 -0.057 0.000 2.499 480 L HA 0.003 4.343 4.340 -0.000 0.000 0.281 480 L C -1.891 174.920 176.870 -0.100 0.000 1.234 480 L CA -1.655 53.136 54.840 -0.082 0.000 0.839 480 L CB 0.055 42.027 42.059 -0.144 0.000 1.104 480 L HN -0.060 nan 8.230 nan 0.000 0.500 481 P HA -0.019 nan 4.420 nan 0.000 0.269 481 P C -0.054 177.183 177.300 -0.105 0.000 1.209 481 P CA -0.104 62.949 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.213 31.700 -0.067 0.000 0.876 482 D N 2.407 122.775 120.400 -0.054 0.000 2.158 482 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 482 D C 1.733 178.004 176.300 -0.048 0.000 0.995 482 D CA 1.438 55.414 54.000 -0.039 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.438 nan 8.370 nan 0.000 0.456 483 K N 0.361 120.733 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.834 178.384 176.600 -0.084 0.000 1.046 483 K CA 1.059 57.318 56.287 -0.048 0.000 0.933 483 K CB -0.384 32.093 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.679 121.810 121.223 -0.153 0.000 2.558 484 L HA 0.096 4.436 4.340 -0.000 0.000 0.225 484 L C 0.886 177.695 176.870 -0.100 0.000 1.128 484 L CA 0.131 54.866 54.840 -0.175 0.000 0.868 484 L CB 0.036 41.902 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.062 120.277 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 -0.000 0.000 0.238 485 K C -1.114 175.477 176.600 -0.016 0.000 1.028 485 K CA -0.622 55.586 56.287 -0.132 0.000 0.935 485 K CB 1.225 33.584 32.500 -0.234 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 -0.123 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 0.916 39.324 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.461 120.229 115.700 0.114 0.000 2.565 487 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 487 S C -2.457 172.217 174.600 0.123 0.000 1.326 487 S CA -0.859 57.352 58.200 0.019 0.000 1.045 487 S CB 0.281 63.494 63.200 0.022 0.000 0.918 487 S HN 0.555 nan 8.310 nan 0.000 0.505 488 P HA 0.258 nan 4.420 nan 0.000 0.277 488 P C -0.944 176.385 177.300 0.049 0.000 1.240 488 P CA -0.613 62.522 63.100 0.058 0.000 0.798 488 P CB 0.497 32.193 31.700 -0.007 0.000 0.979 489 S N 1.744 117.476 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 489 S C 0.416 174.994 174.600 -0.036 0.000 1.309 489 S CA -0.633 57.572 58.200 0.009 0.000 1.043 489 S CB -0.315 62.890 63.200 0.009 0.000 0.939 489 S HN 0.538 nan 8.310 nan 0.000 0.504 490 N N -0.893 117.783 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 490 N C -1.110 174.368 175.510 -0.054 0.000 1.103 490 N CA 0.590 53.605 53.050 -0.057 0.000 0.707 490 N CB -1.544 36.886 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.456 119.438 119.914 -0.033 0.000 2.569 491 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 491 V C 0.603 176.687 176.094 -0.017 0.000 1.044 491 V CA -0.693 61.592 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 4.676 125.068 120.400 -0.012 0.000 2.448 492 K HA 0.635 4.955 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 0.329 56.612 56.287 -0.005 0.000 0.995 492 K CB 0.644 33.143 32.500 -0.001 0.000 0.917 492 K HN 0.771 nan 8.250 nan 0.000 0.481 493 I N 1.040 121.611 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.324 176.475 176.117 0.056 0.000 1.161 493 I CA -0.637 60.668 61.300 0.009 0.000 1.032 493 I CB 2.261 40.250 38.000 -0.019 0.000 1.244 493 I HN 0.842 nan 8.210 nan 0.000 0.421 494 S N 3.703 119.450 115.700 0.078 0.000 2.569 494 S HA 0.011 4.481 4.470 -0.000 0.000 0.274 494 S C 0.496 175.157 174.600 0.102 0.000 1.353 494 S CA 0.573 58.823 58.200 0.082 0.000 1.023 494 S CB 0.724 63.966 63.200 0.071 0.000 0.876 494 S HN 0.732 nan 8.310 nan 0.000 0.540 495 D N 0.799 121.212 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 495 D C 0.008 176.224 176.300 -0.139 0.000 0.989 495 D CA 0.292 54.273 54.000 -0.031 0.000 0.873 495 D CB 0.042 40.829 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.795 119.419 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.928 173.373 175.510 -0.349 0.000 1.069 496 N CA -1.911 51.030 53.050 -0.181 0.000 0.947 496 N CB 1.434 39.873 38.487 -0.080 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.014 nan 4.420 nan 0.000 0.229 497 P C 0.133 177.280 177.300 -0.256 0.000 1.160 497 P CA 0.783 63.366 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.692 31.700 -0.714 0.000 0.814 498 N N -0.982 117.633 118.700 -0.142 0.000 2.383 498 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 498 N C 0.523 176.032 175.510 -0.002 0.000 1.141 498 N CA 0.545 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.320 38.148 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 0.961 175.718 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.266 70.163 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.238 122.523 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 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 2.079 60.141 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 0.849 nan 8.280 nan 0.000 0.522 501 D N -0.929 119.483 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 -0.000 0.000 0.195 501 D C 2.027 178.221 176.300 -0.178 0.000 0.997 501 D CA 1.859 55.806 54.000 -0.089 0.000 0.840 501 D CB -0.535 40.275 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.506 120.691 120.300 -0.192 0.000 2.089 502 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 502 Y C 2.296 178.040 175.900 -0.260 0.000 1.139 502 Y CA 1.849 59.838 58.100 -0.184 0.000 1.123 502 Y CB -0.378 38.010 38.460 -0.121 0.000 0.980 502 Y HN -0.001 nan 8.280 nan 0.000 0.493 503 M N -0.210 119.270 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 503 M C 1.789 177.775 176.300 -0.524 0.000 1.063 503 M CA 2.053 57.153 55.300 -0.333 0.000 1.097 503 M CB -0.472 31.982 32.600 -0.244 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.378 118.673 118.700 -0.675 0.000 2.376 504 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 504 N C 1.304 176.421 175.510 -0.656 0.000 1.024 504 N CA 1.028 53.618 53.050 -0.766 0.000 0.893 504 N CB 0.245 38.079 38.487 -1.088 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 0.002 176.378 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.883 56.287 -0.405 0.000 0.984 505 K CB 0.351 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.811 122.001 120.500 -0.517 0.000 2.537 506 R HA -0.027 4.313 4.340 -0.000 0.000 0.281 506 R C -0.041 175.994 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.980 56.100 -0.520 0.000 1.077 506 R CB 0.235 30.159 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.794 122.384 119.914 -0.540 0.000 2.612 507 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 507 V C -0.479 175.227 176.094 -0.646 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.577 0.000 0.946 507 V CB 2.043 33.489 31.823 -0.629 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.947 125.652 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.323 176.426 176.094 0.016 0.000 1.062 508 V CA -0.036 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.688 33.371 31.823 -0.233 0.000 1.003 508 V HN 1.615 nan 8.190 nan 0.000 0.425 509 A N 7.917 130.764 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.629 176.040 177.584 0.142 0.000 1.144 509 A CA -1.071 51.016 52.037 0.084 0.000 0.806 509 A CB 0.329 19.353 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 0.164 0.000 0.803 510 P CB 0.070 31.689 31.700 -0.136 0.000 0.782 511 G N -0.327 108.495 108.800 0.037 0.000 2.535 511 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G C 1.410 176.345 174.900 0.057 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 -0.332 120.922 121.223 0.051 0.000 2.109 512 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 512 L C 0.866 177.780 176.870 0.073 0.000 1.086 512 L CA 0.552 55.434 54.840 0.070 0.000 0.760 512 L CB 0.148 42.234 42.059 0.044 0.000 0.910 512 L HN 0.036 nan 8.230 nan 0.000 0.437 513 V N -0.778 119.146 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.408 175.604 176.094 -0.136 0.000 0.998 513 V CA -0.583 61.696 62.300 -0.034 0.000 1.114 513 V CB 0.523 32.317 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.556 120.812 120.400 -0.241 0.000 2.383 514 D HA 0.128 4.768 4.640 -0.000 0.000 0.248 514 D C 1.508 177.519 176.300 -0.482 0.000 1.170 514 D CA -0.008 53.721 54.000 -0.451 0.000 0.977 514 D CB 2.250 42.627 40.800 -0.705 0.000 1.120 514 D HN 0.539 nan 8.370 nan 0.000 0.481 515 C N 0.670 119.742 119.300 -0.381 0.000 2.400 515 C HA -0.163 4.297 4.460 -0.000 0.000 0.291 515 C C 1.906 176.969 174.990 0.121 0.000 1.372 515 C CA 0.194 59.171 59.018 -0.069 0.000 1.800 515 C CB -2.137 25.722 27.740 0.198 0.000 1.869 515 C HN 0.613 nan 8.230 nan 0.000 0.533 516 Y N -1.141 119.265 120.300 0.176 0.000 2.532 516 Y HA 0.593 5.143 4.550 -0.000 0.000 0.283 516 Y C 0.786 176.758 175.900 0.120 0.000 1.181 516 Y CA -2.169 56.016 58.100 0.141 0.000 1.256 516 Y CB -1.084 37.433 38.460 0.094 0.000 1.112 516 Y HN 0.177 nan 8.280 nan 0.000 0.521 517 I N 3.439 124.090 120.570 0.135 0.000 2.533 517 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 517 I C 0.166 176.386 176.117 0.173 0.000 1.109 517 I CA 0.155 61.554 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 5.542 124.321 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.082 175.482 175.510 0.090 0.000 0.978 518 N CA 0.502 53.593 53.050 0.070 0.000 0.777 518 N CB -0.913 37.617 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.102 121.382 121.223 0.095 0.000 2.578 519 L HA 0.015 4.355 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 1.215 56.110 54.840 0.091 0.000 0.900 519 L CB 0.087 42.200 42.059 0.090 0.000 1.144 519 L HN 0.645 nan 8.230 nan 0.000 0.496 520 G N 2.628 111.459 108.800 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 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.151 45.274 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.666 122.195 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.360 178.034 177.584 0.149 0.000 1.134 521 A CA -0.164 51.927 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 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.485 122.090 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.593 174.871 176.300 0.273 0.000 1.272 522 R CA -0.168 56.037 56.100 0.175 0.000 1.417 522 R CB 0.423 30.788 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.519 124.828 121.300 0.015 0.000 2.998 523 W HA 0.266 4.926 4.660 -0.000 0.000 0.335 523 W C -1.056 175.457 176.519 -0.009 0.000 1.110 523 W CA -0.651 56.693 57.345 -0.003 0.000 1.230 523 W CB 2.213 31.676 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.794 120.178 115.700 -0.526 0.000 2.537 524 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 524 S C -0.181 174.149 174.600 -0.451 0.000 1.272 524 S CA -0.696 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.404 64.350 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.802 123.952 121.223 -0.123 0.000 2.499 525 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 525 L C 0.944 177.776 176.870 -0.064 0.000 1.195 525 L CA -0.305 54.547 54.840 0.020 0.000 0.882 525 L CB 0.124 42.242 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.762 122.157 120.400 -0.008 0.000 2.263 526 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 526 D C 1.625 177.902 176.300 -0.039 0.000 0.971 526 D CA 1.418 55.378 54.000 -0.067 0.000 0.867 526 D CB 0.122 40.909 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.167 120.158 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 527 Y C 2.186 178.094 175.900 0.012 0.000 1.124 527 Y CA 0.643 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.131 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 -0.605 119.077 119.600 0.137 0.000 2.541 528 M HA -0.048 4.432 4.480 -0.000 0.000 0.252 528 M C 1.054 177.343 176.300 -0.018 0.000 1.125 528 M CA 0.631 55.951 55.300 0.034 0.000 1.091 528 M CB -0.724 31.856 32.600 -0.032 0.000 1.420 528 M HN 0.148 nan 8.290 nan 0.000 0.486 529 D N 1.658 122.035 120.400 -0.038 0.000 2.116 529 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 529 D C 1.098 177.496 176.300 0.165 0.000 0.998 529 D CA 1.230 55.186 54.000 -0.074 0.000 0.836 529 D CB -0.243 40.439 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.020 118.858 118.700 0.229 0.000 2.314 530 N HA 0.032 4.772 4.740 -0.000 0.000 0.200 530 N C -0.458 175.265 175.510 0.356 0.000 1.135 530 N CA 0.015 53.269 53.050 0.338 0.000 0.835 530 N CB 0.949 39.578 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.683 121.706 119.914 0.180 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.588 176.529 176.094 -0.255 0.000 1.037 531 V CA -1.151 61.178 62.300 0.049 0.000 0.900 531 V CB 1.335 33.170 31.823 0.021 0.000 0.983 531 V HN 0.180 nan 8.190 nan 0.000 0.459 532 N N 7.753 126.187 118.700 -0.443 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.441 173.764 175.510 -0.508 0.000 1.331 532 N CA -1.196 51.287 53.050 -0.945 0.000 0.891 532 N CB 1.420 39.693 38.487 -0.357 0.000 1.139 532 N HN 0.339 nan 8.380 nan 0.000 0.487 533 P HA -0.031 nan 4.420 nan 0.000 0.225 533 P C 0.849 177.796 177.300 -0.589 0.000 1.156 533 P CA 0.978 63.636 63.100 -0.738 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 0.023 4.550 4.527 -0.000 0.000 0.298 534 F C 1.104 176.951 175.800 0.079 0.000 1.094 534 F CA 0.401 58.444 58.000 0.073 0.000 1.409 534 F CB -1.149 37.914 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.465 120.281 118.700 0.193 0.000 2.671 535 N HA 0.005 4.745 4.740 -0.000 0.000 0.274 535 N C -0.656 174.979 175.510 0.208 0.000 1.188 535 N CA 0.433 53.605 53.050 0.203 0.000 1.065 535 N CB -0.490 38.121 38.487 0.208 0.000 1.415 535 N HN 0.307 nan 8.380 nan 0.000 0.511 536 H N 0.553 119.655 119.070 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 0.085 0.000 1.260 536 H CA -0.380 55.619 56.048 -0.081 0.000 1.160 536 H CB 1.203 30.709 29.762 -0.428 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.347 121.460 119.070 0.073 0.000 2.546 537 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 537 H C 0.504 176.022 175.328 0.316 0.000 1.004 537 H CA 0.458 56.692 56.048 0.310 0.000 1.231 537 H CB 0.271 30.199 29.762 0.277 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.936 121.463 120.500 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 0.010 0.000 0.931 538 R CA -0.243 55.843 56.100 -0.023 0.000 1.082 538 R CB 0.121 30.329 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.206 119.943 118.700 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 -0.013 53.083 53.050 0.076 0.000 0.945 539 N CB 1.266 39.839 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.721 126.573 122.820 0.053 0.000 1.917 540 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 540 A C 1.981 179.609 177.584 0.073 0.000 1.182 540 A CA 1.946 54.035 52.037 0.086 0.000 0.633 540 A CB -1.143 17.942 19.000 0.142 0.000 0.819 540 A HN 0.667 nan 8.150 nan 0.000 0.448 541 G N -0.125 108.692 108.800 0.029 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 1.303 46.319 45.100 -0.141 0.000 0.776 541 G HN 0.654 nan 8.290 nan 0.000 0.552 542 L N 0.483 121.692 121.223 -0.024 0.000 2.056 542 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 542 L C 2.668 179.492 176.870 -0.078 0.000 1.078 542 L CA 2.164 56.997 54.840 -0.012 0.000 0.749 542 L CB -0.618 41.472 42.059 0.051 0.000 0.901 542 L HN 0.231 nan 8.230 nan 0.000 0.433 543 R N -1.669 118.719 120.500 -0.187 0.000 2.083 543 R HA -0.274 4.066 4.340 -0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.154 0.000 1.137 543 R CA 2.168 58.005 56.100 -0.439 0.000 0.951 543 R CB -0.716 29.308 30.300 -0.460 0.000 0.851 543 R HN 0.581 nan 8.270 nan 0.000 0.434 544 Y N 0.754 120.964 120.300 -0.149 0.000 2.181 544 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 544 Y C 2.125 177.977 175.900 -0.080 0.000 1.146 544 Y CA 1.733 59.782 58.100 -0.085 0.000 1.164 544 Y CB -0.008 38.386 38.460 -0.111 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.577 119.887 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 545 R C 2.756 179.012 176.300 -0.072 0.000 1.111 545 R CA 1.236 57.275 56.100 -0.102 0.000 0.976 545 R CB -0.475 29.800 30.300 -0.041 0.000 0.870 545 R HN 0.302 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 1.878 176.530 174.600 0.086 0.000 1.029 546 S CA 1.108 59.362 58.200 0.091 0.000 0.988 546 S CB 0.027 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 0.436 120.053 119.600 0.027 0.000 2.319 547 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 547 M C 1.856 178.108 176.300 -0.079 0.000 1.068 547 M CA 0.597 55.907 55.300 0.017 0.000 1.118 547 M CB -0.290 32.322 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.500 121.597 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.015 178.855 176.870 -0.049 0.000 1.089 548 L CA 1.838 56.548 54.840 -0.216 0.000 0.757 548 L CB -0.640 41.246 42.059 -0.289 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.041 119.179 121.223 -0.004 0.000 2.209 549 L HA 0.258 4.598 4.340 -0.000 0.000 0.207 549 L C 1.145 178.042 176.870 0.045 0.000 1.094 549 L CA 0.502 55.369 54.840 0.045 0.000 0.790 549 L CB -0.386 41.680 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.103 108.933 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G C -0.480 174.520 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.115 nan 8.290 nan 0.000 0.504 551 N N 0.074 118.886 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.731 176.447 175.510 0.343 0.000 1.130 551 N CA 0.790 54.007 53.050 0.279 0.000 0.861 551 N CB 1.013 39.598 38.487 0.163 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.118 108.834 108.800 0.253 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 0.401 175.321 174.900 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 -0.298 120.166 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 553 R C -0.086 175.966 176.300 -0.413 0.000 1.137 553 R CA 1.113 57.009 56.100 -0.340 0.000 0.943 553 R CB -0.293 29.633 30.300 -0.623 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.198 120.490 120.300 -0.013 0.000 2.365 554 Y HA 0.297 4.847 4.550 -0.000 0.000 0.340 554 Y C -0.387 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.648 57.447 58.100 -0.010 0.000 1.196 554 Y CB 1.392 39.857 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.739 125.752 119.914 0.165 0.000 2.569 555 V HA 0.417 4.537 4.120 -0.000 0.000 0.301 555 V C -2.592 173.628 176.094 0.209 0.000 1.044 555 V CA -2.168 60.224 62.300 0.153 0.000 0.874 555 V CB 2.196 34.082 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.480 nan 4.420 nan 0.000 0.293 556 P C -1.039 176.350 177.300 0.149 0.000 1.300 556 P CA -0.197 62.943 63.100 0.067 0.000 0.792 556 P CB 0.642 32.349 31.700 0.011 0.000 0.925 557 F N 0.129 120.152 119.950 0.121 0.000 2.556 557 F HA 0.672 5.199 4.527 -0.000 0.000 0.327 557 F C -0.570 175.331 175.800 0.168 0.000 1.059 557 F CA -1.121 56.980 58.000 0.169 0.000 0.953 557 F CB 1.740 40.906 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.889 123.103 119.070 0.240 0.000 3.108 558 H HA 0.623 5.179 4.556 -0.000 0.000 0.329 558 H C -1.360 174.028 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.472 31.253 29.762 0.032 0.000 1.670 558 H HN 0.874 nan 8.280 nan 0.000 0.512 559 I N 0.967 121.646 120.570 0.183 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.573 174.465 176.117 -0.132 0.000 1.122 559 I CA -1.265 59.975 61.300 -0.100 0.000 0.987 559 I CB 2.719 40.488 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.447 122.142 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.246 174.861 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.268 55.803 -0.025 0.000 0.773 560 Q CB 2.526 31.011 28.738 -0.422 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.242 124.300 119.914 0.239 0.000 2.435 561 V HA 0.620 4.740 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 -1.965 60.474 62.300 0.232 0.000 0.881 561 V CB 1.474 33.351 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.348 nan 4.420 nan 0.000 0.284 562 P C -1.261 175.889 177.300 -0.251 0.000 1.258 562 P CA -0.791 62.081 63.100 -0.379 0.000 0.824 562 P CB 1.081 32.252 31.700 -0.881 0.000 1.038 563 Q N 1.345 120.977 119.800 -0.280 0.000 2.294 563 Q HA 0.180 4.520 4.340 -0.000 0.000 0.257 563 Q C 0.275 176.128 176.000 -0.244 0.000 0.955 563 Q CA 0.603 56.274 55.803 -0.220 0.000 0.936 563 Q CB 0.753 29.362 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.331 123.628 120.400 -0.172 0.000 2.370 564 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 564 K C -0.221 176.275 176.600 -0.172 0.000 1.070 564 K CA -0.260 55.798 56.287 -0.382 0.000 0.998 564 K CB 0.292 32.372 32.500 -0.700 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.812 122.654 119.950 -0.179 0.000 2.580 565 F HA -0.150 4.377 4.527 -0.000 0.000 0.398 565 F C 1.082 176.873 175.800 -0.016 0.000 1.023 565 F CA -0.866 57.131 58.000 -0.005 0.000 1.188 565 F CB 0.192 39.347 39.000 0.260 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.379 123.942 119.950 -0.644 0.000 2.161 566 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 566 F C 1.739 177.253 175.800 -0.477 0.000 1.089 566 F CA 1.330 59.053 58.000 -0.462 0.000 1.282 566 F CB -1.191 37.623 39.000 -0.310 0.000 1.010 566 F HN 0.381 nan 8.300 nan 0.000 0.485 567 A N 1.047 122.913 122.820 -1.589 0.000 2.119 567 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 567 A C 2.058 179.324 177.584 -0.529 0.000 1.153 567 A CA 1.519 52.980 52.037 -0.960 0.000 0.692 567 A CB -1.133 17.437 19.000 -0.718 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.049 116.305 120.570 -0.359 0.000 4.456 568 I HA 0.157 4.327 4.170 -0.000 0.000 0.329 568 I C 1.722 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.640 61.300 -0.276 0.000 1.205 568 I CB -0.033 37.941 38.000 -0.044 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.198 122.415 120.400 -0.306 0.000 2.113 569 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 569 K C 0.631 177.076 176.600 -0.257 0.000 1.047 569 K CA 2.510 58.652 56.287 -0.241 0.000 0.928 569 K CB -0.692 31.716 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.228 118.690 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.835 174.534 175.510 -0.234 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.610 39.049 38.487 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.507 122.485 121.223 -0.408 0.000 2.490 571 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 571 L C -0.428 176.389 176.870 -0.088 0.000 1.201 571 L CA -0.164 54.562 54.840 -0.189 0.000 0.869 571 L CB 0.473 42.378 42.059 -0.257 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.802 127.031 121.223 0.011 0.000 2.259 572 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 572 L C -0.822 176.017 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.642 54.840 -0.023 0.000 0.824 572 L CB 0.795 42.864 42.059 0.015 0.000 1.206 572 L HN 0.616 nan 8.230 nan 0.000 0.429 573 L N 5.765 126.918 121.223 -0.116 0.000 2.313 573 L HA 0.365 4.705 4.340 -0.000 0.000 0.282 573 L C -0.209 176.643 176.870 -0.030 0.000 1.092 573 L CA 0.373 55.117 54.840 -0.161 0.000 0.831 573 L CB 0.625 42.491 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.846 127.091 121.223 0.036 0.000 2.479 574 L HA 0.445 4.785 4.340 -0.000 0.000 0.249 574 L C -1.891 175.115 176.870 0.227 0.000 1.178 574 L CA -2.091 52.817 54.840 0.113 0.000 0.811 574 L CB 0.040 42.151 42.059 0.085 0.000 1.187 574 L HN 0.466 nan 8.230 nan 0.000 0.480 575 P HA 0.235 nan 4.420 nan 0.000 0.269 575 P C -0.157 177.233 177.300 0.150 0.000 1.209 575 P CA 0.236 63.439 63.100 0.172 0.000 0.776 575 P CB 0.705 32.458 31.700 0.088 0.000 0.876 576 G N 0.344 109.186 108.800 0.069 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 -1.479 173.189 174.900 -0.385 0.000 1.329 576 G CA -0.612 44.362 45.100 -0.210 0.000 0.935 576 G HN 0.377 nan 8.290 nan 0.000 0.590 577 S N -0.191 115.183 115.700 -0.543 0.000 2.451 577 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 577 S C -1.232 173.016 174.600 -0.586 0.000 1.116 577 S CA -0.341 57.640 58.200 -0.366 0.000 1.093 577 S CB 0.678 63.794 63.200 -0.141 0.000 1.017 577 S HN 0.485 nan 8.310 nan 0.000 0.482 578 Y N 0.324 120.632 120.300 0.014 0.000 2.536 578 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 578 Y C 0.563 176.504 175.900 0.068 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 2.711 117.424 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 -0.000 0.000 0.298 579 T C -1.593 173.322 174.700 0.359 0.000 0.962 579 T CA -0.225 62.021 62.100 0.243 0.000 0.972 579 T CB -0.405 68.557 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.598 124.039 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 580 Y C -0.194 175.962 175.900 0.428 0.000 0.958 580 Y CA -1.752 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.874 39.486 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.105 126.469 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.923 174.731 176.600 0.089 0.000 0.884 581 E CA -0.541 55.941 56.400 0.136 0.000 0.753 581 E CB 1.669 31.395 29.700 0.043 0.000 1.213 581 E HN 0.695 nan 8.360 nan 0.000 0.432 582 W N 2.586 123.752 121.300 -0.222 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.147 175.121 176.519 -0.418 0.000 1.239 582 W CA -0.634 56.466 57.345 -0.409 0.000 1.176 582 W CB 2.229 31.285 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.164 120.607 118.700 -0.428 0.000 2.399 583 N HA 0.484 5.224 4.740 -0.000 0.000 0.295 583 N C -1.541 173.850 175.510 -0.199 0.000 1.048 583 N CA -0.252 52.689 53.050 -0.181 0.000 0.886 583 N CB 1.685 40.033 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.636 120.750 119.950 0.273 0.000 2.520 584 F HA 0.459 4.986 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 40.255 39.000 -0.141 0.000 1.154 584 F HN 0.085 nan 8.300 nan 0.000 0.453 585 R N 1.455 122.135 120.500 0.299 0.000 2.582 585 R HA 0.300 4.640 4.340 -0.000 0.000 0.271 585 R C 0.621 177.205 176.300 0.473 0.000 1.078 585 R CA -0.205 56.047 56.100 0.254 0.000 1.127 585 R CB 0.859 31.124 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.306 120.963 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.474 176.275 176.600 0.247 0.000 1.148 586 K CA -0.081 56.410 56.287 0.340 0.000 1.014 586 K CB 0.603 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 1.993 122.572 120.400 0.298 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.387 177.791 176.300 0.173 0.000 1.255 587 D CA -0.035 54.130 54.000 0.275 0.000 0.914 587 D CB 1.194 42.173 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.492 122.478 119.914 0.120 0.000 2.469 588 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 588 V C 1.693 177.814 176.094 0.045 0.000 1.064 588 V CA 1.430 63.758 62.300 0.046 0.000 1.066 588 V CB -0.623 31.196 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.244 118.504 118.700 0.079 0.000 2.453 589 N HA 0.018 4.758 4.740 -0.000 0.000 0.183 589 N C 1.567 177.194 175.510 0.196 0.000 1.041 589 N CA 1.540 54.634 53.050 0.074 0.000 0.900 589 N CB -0.150 38.357 38.487 0.032 0.000 0.961 589 N HN 0.489 nan 8.380 nan 0.000 0.443 590 M N -0.765 118.948 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.090 178.482 176.300 0.153 0.000 1.168 590 M CA 0.616 56.022 55.300 0.178 0.000 1.194 590 M CB -0.833 31.833 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.717 119.290 119.914 0.155 0.000 2.871 591 V HA 0.132 4.252 4.120 -0.000 0.000 0.256 591 V C 0.958 177.140 176.094 0.147 0.000 1.082 591 V CA 0.549 62.977 62.300 0.213 0.000 1.105 591 V CB -0.353 31.645 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.913 122.147 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.387 176.458 176.870 -0.041 0.000 1.012 592 L CA -0.464 54.320 54.840 -0.093 0.000 0.815 592 L CB 1.745 43.683 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.118 120.884 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.532 174.453 176.000 -0.025 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 0.795 116.474 115.700 -0.035 0.000 2.600 594 S HA 0.410 4.880 4.470 -0.000 0.000 0.300 594 S C 0.564 175.202 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 58.200 0.020 0.000 0.965 594 S CB 1.684 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 0.861 116.649 115.700 0.147 0.000 2.436 595 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 595 S C 1.377 176.082 174.600 0.176 0.000 1.014 595 S CA 0.275 58.594 58.200 0.199 0.000 0.950 595 S CB -0.547 62.840 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.561 122.854 121.223 0.116 0.000 2.375 596 L HA 0.372 4.712 4.340 -0.000 0.000 0.215 596 L C 1.953 178.852 176.870 0.049 0.000 1.108 596 L CA 1.142 56.032 54.840 0.084 0.000 0.830 596 L CB -1.475 40.623 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.357 109.140 108.800 -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 45.473 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.332 118.998 118.700 -0.056 0.000 2.260 598 N HA 0.222 4.962 4.740 -0.000 0.000 0.230 598 N C -0.389 175.080 175.510 -0.069 0.000 1.323 598 N CA 0.071 53.111 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.068 38.487 0.058 0.000 1.146 598 N HN 0.116 nan 8.380 nan 0.000 0.460 599 D N 0.281 120.657 120.400 -0.039 0.000 2.402 599 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 599 D C 1.114 177.390 176.300 -0.041 0.000 1.226 599 D CA -0.299 53.667 54.000 -0.055 0.000 0.918 599 D CB -0.093 40.686 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.571 124.759 121.223 -0.060 0.000 2.265 600 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 600 L C 2.425 179.284 176.870 -0.018 0.000 1.117 600 L CA 0.687 55.499 54.840 -0.047 0.000 0.782 600 L CB -0.231 41.789 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.487 120.013 120.500 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 1.103 57.222 56.100 0.031 0.000 0.955 601 R CB -0.846 29.494 30.300 0.067 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.238 122.162 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.943 177.042 176.094 0.009 0.000 1.048 602 V CA 1.681 63.990 62.300 0.015 0.000 1.049 602 V CB -0.370 31.460 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.256 120.656 120.400 -0.000 0.000 2.332 603 D HA 0.162 4.802 4.640 -0.000 0.000 0.244 603 D C 1.691 177.975 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.103 40.691 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.279 109.070 108.800 -0.014 0.000 2.155 604 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 604 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 604 G C 0.605 175.490 174.900 -0.025 0.000 0.983 604 G CA 0.274 45.367 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.529 122.267 122.820 -0.041 0.000 2.407 605 A HA 0.764 5.084 4.320 -0.000 0.000 0.248 605 A C 0.639 178.199 177.584 -0.039 0.000 1.082 605 A CA 1.087 53.086 52.037 -0.063 0.000 0.785 605 A CB 0.958 19.902 19.000 -0.092 0.000 1.020 605 A HN 1.476 nan 8.150 nan 0.000 0.489 606 S N 0.459 116.133 115.700 -0.043 0.000 2.564 606 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 606 S C -1.174 173.403 174.600 -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 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.322 123.861 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.576 174.440 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.744 61.300 -0.085 0.000 1.040 607 I CB 1.717 39.626 38.000 -0.152 0.000 1.255 607 I HN 0.740 nan 8.210 nan 0.000 0.422 608 K N 6.692 127.007 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 608 K C -2.110 174.370 176.600 -0.201 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.438 33.906 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.324 123.295 119.950 0.035 0.000 2.404 609 F HA 0.217 4.744 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 -0.609 57.306 58.000 -0.141 0.000 1.144 609 F CB 1.302 40.023 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.582 120.985 120.400 0.004 0.000 2.262 610 D HA 0.015 4.655 4.640 -0.000 0.000 0.212 610 D C 0.494 176.784 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.965 54.000 -0.019 0.000 0.875 610 D CB 0.430 41.178 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.421 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.539 5.009 4.470 -0.000 0.000 0.276 611 S C -1.245 173.291 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.668 64.848 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.240 122.775 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.137 175.124 176.117 0.241 0.000 1.048 612 I CA -0.257 61.027 61.300 -0.027 0.000 1.062 612 I CB 1.072 38.904 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.921 125.379 119.300 0.264 0.000 2.630 613 C HA 0.722 5.182 4.460 -0.000 0.000 0.346 613 C C -0.681 174.383 174.990 0.123 0.000 1.245 613 C CA -0.633 58.550 59.018 0.276 0.000 1.804 613 C CB 1.728 29.566 27.740 0.165 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.838 122.972 121.223 -0.149 0.000 2.349 614 L HA 0.608 4.948 4.340 -0.000 0.000 0.278 614 L C -1.480 175.243 176.870 -0.245 0.000 0.996 614 L CA -0.033 54.607 54.840 -0.333 0.000 0.825 614 L CB 0.314 41.902 42.059 -0.785 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.613 123.676 120.300 -0.394 0.000 2.420 615 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 615 Y C 0.210 175.944 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.640 58.100 -0.393 0.000 1.126 615 Y CB 2.269 40.257 38.460 -0.788 0.000 1.217 615 Y HN 0.778 nan 8.280 nan 0.000 0.462 616 A N 1.516 124.402 122.820 0.110 0.000 2.465 616 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 616 A C -1.104 176.566 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.914 19.982 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.064 116.637 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 617 T C -0.984 173.732 174.700 0.026 0.000 0.995 617 T CA 0.107 62.296 62.100 0.147 0.000 1.009 617 T CB 0.339 69.305 68.868 0.163 0.000 0.955 617 T HN 0.334 nan 8.240 nan 0.000 0.452 618 F N 1.636 121.660 119.950 0.123 0.000 2.507 618 F HA 0.494 5.021 4.527 -0.000 0.000 0.325 618 F C -0.116 175.779 175.800 0.159 0.000 1.116 618 F CA -1.830 56.256 58.000 0.144 0.000 0.930 618 F CB 1.031 40.108 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.144 126.228 119.950 0.224 0.000 2.543 619 F HA 0.292 4.819 4.527 -0.000 0.000 0.375 619 F C -1.665 174.242 175.800 0.179 0.000 1.075 619 F CA -2.124 55.971 58.000 0.158 0.000 1.225 619 F CB 0.742 39.808 39.000 0.111 0.000 1.099 619 F HN 0.215 nan 8.300 nan 0.000 0.561 620 P HA 0.002 nan 4.420 nan 0.000 0.228 620 P C -0.061 177.304 177.300 0.108 0.000 1.748 620 P CA 0.018 63.117 63.100 -0.002 0.000 0.909 620 P CB -0.299 31.331 31.700 -0.117 0.000 1.882 621 M N 1.150 121.004 119.600 0.422 0.000 2.250 621 M HA 0.193 4.673 4.480 -0.000 0.000 0.337 621 M C 0.297 176.798 176.300 0.335 0.000 1.161 621 M CA -0.059 55.542 55.300 0.503 0.000 1.088 621 M CB 0.559 33.438 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.263 127.245 122.820 0.270 0.000 2.540 622 A HA 0.011 4.331 4.320 -0.000 0.000 0.239 622 A C 0.650 178.406 177.584 0.287 0.000 1.061 622 A CA 0.188 52.348 52.037 0.204 0.000 0.758 622 A CB -0.247 18.846 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 1.998 121.118 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.889 177.255 175.328 0.064 0.000 1.097 623 H CA 1.420 57.510 56.048 0.069 0.000 1.311 623 H CB 0.156 29.950 29.762 0.052 0.000 1.377 623 H HN 0.910 nan 8.280 nan 0.000 0.504 624 N N 0.855 119.669 118.700 0.190 0.000 2.084 624 N HA -0.125 4.615 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 1.754 54.877 53.050 0.122 0.000 0.849 624 N CB -1.053 37.493 38.487 0.097 0.000 1.012 624 N HN 0.206 nan 8.380 nan 0.000 0.423 625 T N 1.420 116.044 114.554 0.118 0.000 2.674 625 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 625 T C 2.198 176.950 174.700 0.086 0.000 1.039 625 T CA 2.002 64.161 62.100 0.098 0.000 1.150 625 T CB -0.680 68.254 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.533 124.420 122.820 0.112 0.000 1.892 626 A HA -0.170 4.150 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 2.515 54.606 52.037 0.090 0.000 0.631 626 A CB -1.240 17.824 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.232 114.502 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.997 176.619 174.600 0.037 0.000 1.033 627 S CA 2.343 60.567 58.200 0.039 0.000 1.011 627 S CB -0.800 62.425 63.200 0.043 0.000 0.852 627 S HN 0.560 nan 8.310 nan 0.000 0.457 628 T N 2.322 116.902 114.554 0.043 0.000 2.777 628 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 628 T C 1.690 176.406 174.700 0.026 0.000 1.040 628 T CA 1.359 63.480 62.100 0.035 0.000 1.141 628 T CB -0.514 68.378 68.868 0.039 0.000 0.868 628 T HN 0.402 nan 8.240 nan 0.000 0.444 629 L N 1.332 122.571 121.223 0.027 0.000 2.083 629 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 629 L C 2.388 179.266 176.870 0.014 0.000 1.083 629 L CA 1.858 56.708 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 0.274 nan 8.230 nan 0.000 0.433 630 E N -0.277 119.935 120.200 0.020 0.000 2.031 630 E HA -0.271 4.079 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 1.271 57.681 56.400 0.017 0.000 0.800 630 E CB -0.274 29.441 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.089 123.914 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.262 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.252 54.291 52.037 0.003 0.000 0.638 631 A CB -0.662 18.346 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.804 118.796 119.600 0.000 0.000 2.086 632 M HA -0.075 4.405 4.480 -0.000 0.000 0.261 632 M C 1.934 178.228 176.300 -0.009 0.000 1.067 632 M CA 1.355 56.654 55.300 -0.002 0.000 1.116 632 M CB -0.466 32.134 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.521 120.696 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 633 L C 2.263 179.110 176.870 -0.039 0.000 1.158 633 L CA 0.569 55.399 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 -0.332 120.137 120.500 -0.051 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.099 176.339 176.300 -0.101 0.000 0.961 634 R CA 0.033 56.068 56.100 -0.108 0.000 1.024 634 R CB -0.019 30.214 30.300 -0.111 0.000 0.940 634 R HN 0.379 nan 8.270 nan 0.000 0.480 635 N N 1.700 120.383 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.223 175.783 175.510 0.083 0.000 1.098 635 N CA 0.089 53.154 53.050 0.025 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 -0.451 120.051 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 636 D C 1.622 177.959 176.300 0.062 0.000 0.986 636 D CA 1.477 55.583 54.000 0.175 0.000 0.847 636 D CB -0.296 40.513 40.800 0.014 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.218 113.355 114.554 0.031 0.000 2.897 637 T HA -0.154 4.196 4.350 -0.000 0.000 0.271 637 T C 1.079 175.779 174.700 0.001 0.000 1.084 637 T CA 0.927 63.031 62.100 0.006 0.000 1.123 637 T CB -0.408 68.460 68.868 0.000 0.000 0.865 637 T HN 0.003 nan 8.240 nan 0.000 0.496 638 N N 1.847 120.554 118.700 0.011 0.000 2.320 638 N HA 0.200 4.940 4.740 -0.000 0.000 0.237 638 N C -0.947 174.562 175.510 -0.001 0.000 1.129 638 N CA -0.209 52.839 53.050 -0.003 0.000 0.854 638 N CB 0.160 38.643 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.314 121.725 120.400 0.017 0.000 2.424 639 D HA 0.059 4.699 4.640 -0.000 0.000 0.244 639 D C 0.660 176.933 176.300 -0.045 0.000 1.134 639 D CA 0.396 54.412 54.000 0.027 0.000 0.881 639 D CB 1.055 41.894 40.800 0.064 0.000 1.191 639 D HN 0.126 nan 8.370 nan 0.000 0.445 640 Q N 0.430 120.197 119.800 -0.055 0.000 2.368 640 Q HA 0.458 4.798 4.340 -0.000 0.000 0.237 640 Q C -0.211 175.606 176.000 -0.305 0.000 0.987 640 Q CA -0.253 55.439 55.803 -0.185 0.000 0.896 640 Q CB 1.039 29.738 28.738 -0.064 0.000 1.241 640 Q HN 0.506 nan 8.270 nan 0.000 0.485 641 S N 0.503 115.787 115.700 -0.695 0.000 2.533 641 S HA 0.772 5.242 4.470 -0.000 0.000 0.271 641 S C -1.377 172.671 174.600 -0.921 0.000 1.143 641 S CA -0.851 57.015 58.200 -0.557 0.000 0.891 641 S CB 0.848 63.906 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.410 121.394 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 0.000 0.000 0.311 642 F C -0.037 175.914 175.800 0.251 0.000 1.088 642 F CA -0.765 57.317 58.000 0.136 0.000 0.949 642 F CB 2.018 41.101 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.223 118.701 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.069 173.303 175.510 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.067 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.216 120.400 -0.906 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.919 177.047 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.353 54.000 -0.756 0.000 0.884 644 D CB 0.618 40.811 40.800 -1.011 0.000 1.194 644 D HN 0.511 nan 8.370 nan 0.000 0.441 645 Y N 3.554 123.738 120.300 -0.195 0.000 2.128 645 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 645 Y C 1.698 177.500 175.900 -0.164 0.000 1.154 645 Y CA 1.435 59.451 58.100 -0.140 0.000 1.149 645 Y CB -0.197 38.208 38.460 -0.092 0.000 0.976 645 Y HN 0.530 nan 8.280 nan 0.000 0.505 646 L N 0.361 121.537 121.223 -0.079 0.000 2.046 646 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 646 L C 1.272 177.987 176.870 -0.258 0.000 1.077 646 L CA 1.864 56.618 54.840 -0.143 0.000 0.747 646 L CB -0.860 41.167 42.059 -0.053 0.000 0.896 646 L HN 0.223 nan 8.230 nan 0.000 0.432 647 S N -0.308 115.226 115.700 -0.277 0.000 3.436 647 S HA 0.012 4.482 4.470 -0.000 0.000 0.393 647 S C -0.014 174.448 174.600 -0.229 0.000 0.914 647 S CA 0.471 58.491 58.200 -0.301 0.000 1.317 647 S CB -1.455 61.496 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.511 123.247 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 -0.000 0.000 0.292 648 A C -0.555 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.055 51.931 52.037 -0.084 0.000 0.676 648 A CB 0.887 19.832 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.671 124.471 122.820 -0.034 0.000 2.260 649 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 649 A C -0.282 177.360 177.584 0.096 0.000 1.254 649 A CA -0.606 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.051 18.756 19.000 -0.322 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.528 122.334 118.700 0.177 0.000 2.426 650 N HA 0.493 5.233 4.740 -0.000 0.000 0.275 650 N C -0.820 174.866 175.510 0.294 0.000 1.019 650 N CA -0.153 53.100 53.050 0.339 0.000 0.941 650 N CB 1.447 40.209 38.487 0.457 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.327 122.148 119.600 0.369 0.000 2.530 651 M HA 0.512 4.992 4.480 -0.000 0.000 0.307 651 M C -0.902 175.451 176.300 0.087 0.000 1.161 651 M CA -0.631 54.757 55.300 0.147 0.000 0.903 651 M CB 2.129 34.823 32.600 0.157 0.000 1.711 651 M HN 0.227 nan 8.290 nan 0.000 0.451 652 L N 2.795 123.865 121.223 -0.256 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.670 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.202 0.000 0.824 652 L CB 1.576 43.516 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.936 123.273 120.300 0.062 0.000 2.376 653 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 653 Y C -2.262 173.645 175.900 0.011 0.000 0.965 653 Y CA -2.915 55.210 58.100 0.042 0.000 1.078 653 Y CB 1.484 39.976 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.237 nan 4.420 nan 0.000 0.271 654 P C -0.532 176.806 177.300 0.063 0.000 1.216 654 P CA 0.106 63.247 63.100 0.069 0.000 0.776 654 P CB 1.106 32.831 31.700 0.042 0.000 0.881 655 I N 4.285 124.870 120.570 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 -2.714 58.588 61.300 0.004 0.000 1.135 655 I CB 1.656 39.641 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.012 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 -0.192 62.906 63.100 -0.003 0.000 0.772 656 P CB 0.567 32.268 31.700 0.001 0.000 0.855 657 A N 2.875 125.690 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 -0.000 0.000 0.240 657 A C 0.934 178.515 177.584 -0.005 0.000 1.053 657 A CA 0.809 52.842 52.037 -0.006 0.000 0.755 657 A CB -1.488 17.510 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.889 117.807 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 -0.000 0.000 0.225 658 N C 0.348 175.854 175.510 -0.007 0.000 0.883 658 N CA 0.721 53.769 53.050 -0.003 0.000 1.010 658 N CB -1.669 36.821 38.487 0.004 0.000 1.052 658 N HN 1.264 nan 8.380 nan 0.000 0.598 659 A N -0.027 122.786 122.820 -0.011 0.000 2.466 659 A HA 0.439 4.759 4.320 -0.000 0.000 0.238 659 A C 1.204 178.776 177.584 -0.020 0.000 1.074 659 A CA 1.241 53.272 52.037 -0.011 0.000 0.774 659 A CB 0.523 19.518 19.000 -0.008 0.000 1.015 659 A HN 0.232 nan 8.150 nan 0.000 0.498 660 T N 0.247 114.793 114.554 -0.014 0.000 2.993 660 T HA 0.158 4.508 4.350 -0.000 0.000 0.260 660 T C 0.228 174.921 174.700 -0.011 0.000 0.939 660 T CA 0.057 62.145 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.690 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.114 119.813 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.398 174.126 175.510 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 -0.116 nan 8.380 nan 0.000 0.486 662 V N 4.632 124.577 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 -0.000 0.000 0.277 662 V C -2.405 173.735 176.094 0.076 0.000 1.012 662 V CA -1.380 60.956 62.300 0.060 0.000 0.832 662 V CB 1.292 33.145 31.823 0.051 0.000 1.028 662 V HN 0.594 nan 8.190 nan 0.000 0.436 663 P HA 0.654 nan 4.420 nan 0.000 0.300 663 P C -0.794 176.484 177.300 -0.036 0.000 1.326 663 P CA -0.504 62.597 63.100 0.001 0.000 0.844 663 P CB 1.935 33.635 31.700 -0.001 0.000 0.992 664 I N -1.034 119.497 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.871 175.231 176.117 -0.025 0.000 1.049 664 I CA -0.671 60.548 61.300 -0.135 0.000 1.063 664 I CB 2.570 40.325 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.294 122.014 115.700 0.032 0.000 2.521 665 S HA 0.703 5.173 4.470 -0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.128 0.000 1.098 665 S CA -0.675 57.569 58.200 0.073 0.000 0.999 665 S CB 1.374 64.611 63.200 0.061 0.000 1.034 665 S HN 0.509 nan 8.310 nan 0.000 0.483 666 I N 5.338 125.995 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.388 173.809 176.117 0.132 0.000 1.012 666 I CA -2.490 58.906 61.300 0.160 0.000 1.119 666 I CB 1.482 39.628 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 0.263 177.602 177.300 0.065 0.000 1.195 667 P CA 0.075 63.210 63.100 0.058 0.000 0.768 667 P CB 0.502 32.215 31.700 0.021 0.000 0.838 668 S N 3.218 118.975 115.700 0.094 0.000 2.810 668 S HA -0.020 4.450 4.470 -0.000 0.000 0.329 668 S C 0.359 174.982 174.600 0.037 0.000 1.231 668 S CA 0.286 58.562 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 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.204 123.737 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 -0.000 0.000 0.267 669 R C -1.097 175.076 176.300 -0.210 0.000 1.051 669 R CA -1.118 54.860 56.100 -0.204 0.000 0.927 669 R CB 0.377 30.350 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.135 118.345 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.787 174.446 175.510 -0.462 0.000 1.098 670 N CA -0.234 52.689 53.050 -0.211 0.000 0.979 670 N CB 0.651 39.067 38.487 -0.118 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.859 123.195 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.745 177.337 176.519 0.121 0.000 1.043 671 W CA -0.387 56.968 57.345 0.016 0.000 1.692 671 W CB -0.029 29.394 29.460 -0.061 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.083 124.073 122.820 0.283 0.000 2.546 672 A HA 0.388 4.708 4.320 -0.000 0.000 0.243 672 A C 1.506 179.234 177.584 0.239 0.000 1.063 672 A CA 1.247 53.435 52.037 0.252 0.000 0.757 672 A CB -0.101 18.998 19.000 0.165 0.000 0.991 672 A HN 1.164 nan 8.150 nan 0.000 0.503 673 A N 1.540 124.514 122.820 0.257 0.000 3.383 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.264 673 A C 0.383 178.207 177.584 0.400 0.000 1.154 673 A CA 0.759 52.964 52.037 0.280 0.000 1.179 673 A CB -2.606 16.494 19.000 0.168 0.000 1.133 673 A HN 2.015 nan 8.150 nan 0.000 0.933 674 F N 1.884 121.951 119.950 0.194 0.000 2.623 674 F HA 0.325 4.852 4.527 -0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.069 0.000 1.077 674 F CA 0.739 58.786 58.000 0.078 0.000 1.268 674 F CB 0.431 39.378 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.315 123.376 120.500 -0.733 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.772 176.564 176.300 -0.846 0.000 0.990 675 R CA 0.389 56.132 56.100 -0.595 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 -0.155 107.634 108.800 -1.685 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 -1.847 172.529 174.900 -0.873 0.000 1.305 676 G CA -0.956 43.423 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.101 121.103 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 0.000 0.000 0.346 677 W C 0.127 176.598 176.519 -0.079 0.000 1.071 677 W CA -0.309 56.980 57.345 -0.094 0.000 1.206 677 W CB 2.444 31.891 29.460 -0.020 0.000 1.413 677 W HN 1.236 nan 8.180 nan 0.000 0.542 678 A N 2.931 125.830 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 678 A C -1.614 175.948 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.478 20.357 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.604 119.204 119.950 -0.237 0.000 2.693 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 679 F C -0.243 175.319 175.800 -0.395 0.000 1.129 679 F CA -0.389 57.405 58.000 -0.343 0.000 0.948 679 F CB 1.195 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.679 nan 8.300 nan 0.000 0.447 680 T N -0.464 114.013 114.554 -0.129 0.000 2.618 680 T HA 0.633 4.983 4.350 -0.000 0.000 0.293 680 T C -1.684 173.259 174.700 0.405 0.000 1.093 680 T CA -1.192 60.887 62.100 -0.035 0.000 1.061 680 T CB 1.991 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 -0.648 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 2.257 123.539 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.343 176.537 176.870 0.016 0.000 1.016 682 L CA -1.173 53.711 54.840 0.074 0.000 0.821 682 L CB 1.885 44.033 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.122 120.288 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.544 177.135 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.574 34.088 32.500 0.023 0.000 1.062 683 K HN 0.587 nan 8.250 nan 0.000 0.465 684 T N 2.069 116.612 114.554 -0.019 0.000 2.759 684 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 684 T C 2.302 176.992 174.700 -0.016 0.000 1.042 684 T CA 2.107 64.194 62.100 -0.022 0.000 1.140 684 T CB -0.133 68.723 68.868 -0.020 0.000 0.864 684 T HN 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.617 121.989 120.400 -0.047 0.000 2.147 685 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 685 K C 1.744 178.214 176.600 -0.216 0.000 1.049 685 K CA 1.557 57.789 56.287 -0.090 0.000 0.936 685 K CB -0.756 31.671 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.237 120.273 120.200 -0.272 0.000 2.437 686 E HA 0.065 4.415 4.350 -0.000 0.000 0.189 686 E C -0.477 176.169 176.600 0.077 0.000 1.054 686 E CA 0.012 56.191 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.315 0.000 1.011 686 E HN 0.362 nan 8.360 nan 0.000 0.474 687 T N 3.449 118.053 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.128 174.700 -0.145 0.000 1.140 687 T CA -1.692 60.396 62.100 -0.019 0.000 1.040 687 T CB 1.078 69.881 68.868 -0.108 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.112 nan 4.420 nan 0.000 0.268 688 P C -0.010 177.028 177.300 -0.438 0.000 1.208 688 P CA -0.257 62.299 63.100 -0.906 0.000 0.777 688 P CB 0.561 31.489 31.700 -1.285 0.000 0.875 689 S N 1.459 116.959 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 689 S C 0.940 175.423 174.600 -0.195 0.000 1.257 689 S CA -0.638 57.433 58.200 -0.215 0.000 1.050 689 S CB -0.618 62.507 63.200 -0.125 0.000 0.937 689 S HN 0.343 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 2.060 178.911 176.870 -0.030 0.000 1.123 690 L CA 0.080 54.872 54.840 -0.081 0.000 0.900 690 L CB -0.209 41.824 42.059 -0.043 0.000 1.146 690 L HN 0.848 nan 8.230 nan 0.000 0.484 691 G N 0.529 109.299 108.800 -0.052 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 0.202 175.091 174.900 -0.018 0.000 1.327 691 G CA 0.626 45.709 45.100 -0.028 0.000 1.170 691 G HN 0.388 nan 8.290 nan 0.000 0.520 692 S N -3.555 112.141 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.866 175.491 174.600 0.042 0.000 1.059 692 S CA 0.105 58.304 58.200 -0.002 0.000 0.847 692 S CB 0.759 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.236 108.598 108.800 0.056 0.000 2.509 693 G HA2 0.180 4.140 3.960 -0.000 0.000 0.218 693 G HA3 0.180 4.140 3.960 -0.000 0.000 0.218 693 G C -0.041 174.849 174.900 -0.018 0.000 1.124 693 G CA 1.106 46.315 45.100 0.181 0.000 0.776 693 G HN 1.028 nan 8.290 nan 0.000 0.547 694 Y N -0.427 119.639 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.063 173.679 175.900 -0.262 0.000 1.100 694 Y CA -1.589 56.246 58.100 -0.443 0.000 1.034 694 Y CB 2.116 40.033 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.026 127.992 120.400 -0.723 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.953 173.977 176.300 -0.617 0.000 1.089 695 D CA -2.507 51.192 54.000 -0.501 0.000 0.883 695 D CB 1.792 42.402 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.138 nan 4.420 nan 0.000 0.219 696 P C 0.491 177.587 177.300 -0.341 0.000 1.146 696 P CA 1.001 63.867 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.365 31.700 -0.533 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.187 4.737 4.550 -0.000 0.000 0.284 697 Y C 0.756 176.702 175.900 0.078 0.000 1.188 697 Y CA -0.993 57.122 58.100 0.025 0.000 1.269 697 Y CB -1.174 37.297 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.442 122.730 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 698 Y C 0.626 176.543 175.900 0.028 0.000 1.025 698 Y CA -1.378 56.720 58.100 -0.004 0.000 1.295 698 Y CB 0.247 38.660 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.125 117.594 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.079 173.532 174.700 -0.147 0.000 1.284 699 T CA -0.488 61.534 62.100 -0.130 0.000 1.329 699 T CB -0.783 68.071 68.868 -0.024 0.000 1.033 699 T HN 0.490 nan 8.240 nan 0.000 0.632 700 Y N 0.862 120.813 120.300 -0.582 0.000 2.519 700 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 700 Y C -0.122 175.531 175.900 -0.411 0.000 1.089 700 Y CA -0.791 57.046 58.100 -0.439 0.000 1.025 700 Y CB 2.045 40.256 38.460 -0.415 0.000 1.318 700 Y HN 0.225 nan 8.280 nan 0.000 0.452 701 S N 1.874 117.042 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.396 174.604 174.600 -0.653 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.088 63.121 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.057 110.025 108.800 -1.387 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 0.073 174.964 174.900 -0.014 0.000 1.416 702 G CA -0.145 44.640 45.100 -0.525 0.000 1.052 702 G HN 0.696 nan 8.290 nan 0.000 0.542 703 S N -1.307 114.536 115.700 0.238 0.000 2.568 703 S HA 0.283 4.753 4.470 -0.000 0.000 0.282 703 S C -0.026 174.797 174.600 0.371 0.000 1.338 703 S CA -0.280 58.068 58.200 0.246 0.000 1.045 703 S CB 0.387 63.713 63.200 0.209 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.299 125.020 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.841 174.363 176.117 0.145 0.000 1.078 704 I CA -2.357 59.106 61.300 0.272 0.000 1.184 704 I CB 1.499 39.664 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.282 nan 4.420 nan 0.000 0.218 705 P C 1.564 178.869 177.300 0.008 0.000 1.154 705 P CA 1.633 64.705 63.100 -0.047 0.000 0.872 705 P CB 0.025 31.838 31.700 0.189 0.000 0.790 706 Y N 0.009 120.383 120.300 0.123 0.000 2.256 706 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 706 Y C 1.968 177.918 175.900 0.082 0.000 1.155 706 Y CA 1.556 59.727 58.100 0.118 0.000 1.203 706 Y CB -0.669 37.744 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.820 120.436 121.223 0.055 0.000 2.388 707 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 707 L C 1.648 178.475 176.870 -0.072 0.000 1.061 707 L CA 0.847 55.680 54.840 -0.012 0.000 0.834 707 L CB -0.222 41.906 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.880 119.451 120.400 -0.115 0.000 2.366 708 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 708 D C 1.471 177.560 176.300 -0.351 0.000 1.022 708 D CA 0.815 54.712 54.000 -0.172 0.000 0.868 708 D CB 0.328 41.063 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.233 108.649 108.800 -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 0.670 175.058 174.900 -0.854 0.000 0.984 709 G CA 0.456 44.945 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.364 113.751 114.554 -0.732 0.000 3.624 710 T HA 0.542 4.892 4.350 -0.000 0.000 0.231 710 T C 0.597 175.290 174.700 -0.013 0.000 0.865 710 T CA -0.538 61.165 62.100 -0.663 0.000 0.926 710 T CB -0.654 67.597 68.868 -1.029 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.832 122.934 119.950 0.253 0.000 2.572 711 F HA 0.281 4.808 4.527 -0.000 0.000 0.370 711 F C 1.014 177.101 175.800 0.478 0.000 1.103 711 F CA -1.075 57.095 58.000 0.283 0.000 1.286 711 F CB 0.018 39.090 39.000 0.120 0.000 1.105 711 F HN 0.512 nan 8.300 nan 0.000 0.583 712 Y N -0.492 120.090 120.300 0.471 0.000 2.890 712 Y HA 0.500 5.050 4.550 -0.000 0.000 0.266 712 Y C -0.327 175.766 175.900 0.321 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.769 37.906 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.857 122.029 121.223 -0.084 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.914 177.683 176.870 -0.168 0.000 1.232 713 L CA -0.100 54.593 54.840 -0.245 0.000 1.031 713 L CB 0.114 41.968 42.059 -0.342 0.000 1.379 713 L HN 0.172 nan 8.230 nan 0.000 0.563 714 N N 0.592 119.326 118.700 0.057 0.000 2.364 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 714 N C 1.662 177.540 175.510 0.614 0.000 1.022 714 N CA 1.043 54.247 53.050 0.255 0.000 0.883 714 N CB -0.098 38.193 38.487 -0.327 0.000 0.965 714 N HN 0.592 nan 8.380 nan 0.000 0.438 715 H N -0.690 118.590 119.070 0.350 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.076 176.444 175.328 0.067 0.000 0.996 715 H CA 1.170 57.265 56.048 0.078 0.000 1.157 715 H CB -0.481 29.108 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.398 112.038 114.554 -0.197 0.000 3.107 716 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 716 T C 0.249 174.870 174.700 -0.132 0.000 1.096 716 T CA -0.521 61.465 62.100 -0.191 0.000 1.012 716 T CB -0.658 68.003 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.584 121.609 119.950 0.125 0.000 2.412 717 F HA 0.521 5.048 4.527 0.000 0.000 0.348 717 F C 1.500 177.304 175.800 0.008 0.000 1.102 717 F CA -0.723 57.349 58.000 0.120 0.000 1.196 717 F CB 1.507 40.655 39.000 0.246 0.000 1.144 717 F HN -0.121 nan 8.300 nan 0.000 0.541 718 K N 1.570 122.048 120.400 0.129 0.000 2.225 718 K HA 0.162 4.482 4.320 -0.000 0.000 0.204 718 K C -0.388 176.189 176.600 -0.038 0.000 1.047 718 K CA 0.497 56.805 56.287 0.035 0.000 0.970 718 K CB 0.475 32.987 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.097 119.289 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.495 175.015 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.149 34.605 32.500 -0.074 0.000 1.522 719 K HN -0.207 nan 8.250 nan 0.000 0.412 720 V N -0.210 119.579 119.914 -0.209 0.000 2.668 720 V HA 0.775 4.895 4.120 -0.000 0.000 0.304 720 V C -1.144 174.822 176.094 -0.214 0.000 1.071 720 V CA -0.749 61.300 62.300 -0.418 0.000 0.894 720 V CB 1.533 32.973 31.823 -0.639 0.000 1.008 720 V HN 0.972 nan 8.190 nan 0.000 0.425 721 A N 5.622 128.256 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.842 176.605 177.584 -0.228 0.000 1.187 721 A CA -0.434 51.503 52.037 -0.167 0.000 0.810 721 A CB 0.686 19.608 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.308 122.816 120.570 -0.103 0.000 2.404 722 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 722 I C -0.360 175.735 176.117 -0.038 0.000 0.992 722 I CA -0.094 61.105 61.300 -0.168 0.000 1.149 722 I CB 2.364 40.241 38.000 -0.205 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.812 119.278 114.554 -0.147 0.000 2.928 723 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 723 T C -0.672 173.946 174.700 -0.136 0.000 1.000 723 T CA -0.573 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.055 69.918 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 0.089 0.000 2.422 724 F HA 0.355 4.882 4.527 0.000 0.000 0.333 724 F C 0.854 176.721 175.800 0.112 0.000 1.095 724 F CA -0.494 57.551 58.000 0.075 0.000 1.038 724 F CB 0.871 39.926 39.000 0.092 0.000 1.156 724 F HN 0.611 nan 8.300 nan 0.000 0.483 725 D N 2.520 123.116 120.400 0.328 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.265 177.651 176.300 0.144 0.000 1.155 725 D CA 1.341 55.477 54.000 0.228 0.000 0.649 725 D CB -1.280 39.666 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 1.537 176.180 174.600 0.072 0.000 1.304 726 S CA 2.948 61.191 58.200 0.072 0.000 1.224 726 S CB -1.694 61.543 63.200 0.061 0.000 1.480 726 S HN 1.046 nan 8.310 nan 0.000 0.698 727 S N -2.403 113.357 115.700 0.099 0.000 2.918 727 S HA 0.494 4.964 4.470 -0.000 0.000 0.264 727 S C 0.213 174.876 174.600 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 63.322 63.200 0.075 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 0.505 4.625 4.120 -0.000 0.000 0.273 728 V C 0.271 176.509 176.094 0.241 0.000 1.045 728 V CA -0.283 62.133 62.300 0.194 0.000 0.976 728 V CB 1.008 32.970 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.142 120.955 115.700 0.188 0.000 2.465 729 S HA 0.385 4.855 4.470 -0.000 0.000 0.279 729 S C -0.825 173.944 174.600 0.281 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.134 63.384 63.200 0.084 0.000 0.953 729 S HN 0.667 nan 8.310 nan 0.000 0.488 730 W N 7.484 128.913 121.300 0.216 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.037 174.650 176.519 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 31.315 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.137 nan 4.420 nan 0.000 0.251 731 P C 0.971 178.019 177.300 -0.420 0.000 1.223 731 P CA 1.056 63.478 63.100 -1.129 0.000 0.796 731 P CB 0.316 31.282 31.700 -1.224 0.000 1.068 732 G N 1.650 110.328 108.800 -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 0.485 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.475 45.508 45.100 -0.112 0.000 0.974 732 G HN 0.282 nan 8.290 nan 0.000 0.552 733 N N -0.071 118.573 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.731 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.481 55.475 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.361 nan 8.380 nan 0.000 0.572 734 D N -1.819 118.530 120.400 -0.085 0.000 2.945 734 D HA -0.204 4.436 4.640 -0.000 0.000 0.225 734 D C 1.226 177.478 176.300 -0.080 0.000 1.158 734 D CA 1.154 55.111 54.000 -0.073 0.000 0.805 734 D CB -0.391 40.378 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.365 120.073 120.500 -0.104 0.000 2.062 735 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 735 R C 1.299 177.562 176.300 -0.062 0.000 1.136 735 R CA 0.740 56.792 56.100 -0.080 0.000 0.948 735 R CB -0.255 29.986 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.123 122.276 121.223 -0.117 0.000 2.421 736 L HA 0.145 4.485 4.340 -0.000 0.000 0.263 736 L C 1.994 178.779 176.870 -0.141 0.000 1.122 736 L CA -0.441 54.314 54.840 -0.141 0.000 0.804 736 L CB 0.483 42.393 42.059 -0.249 0.000 1.150 736 L HN 0.008 nan 8.230 nan 0.000 0.457 737 L N 0.543 121.654 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 737 L C 1.263 178.055 176.870 -0.130 0.000 1.089 737 L CA 1.538 56.223 54.840 -0.257 0.000 0.757 737 L CB -0.485 41.193 42.059 -0.635 0.000 0.899 737 L HN 0.845 nan 8.230 nan 0.000 0.434 738 T N -4.428 110.058 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.627 173.004 174.700 -0.114 0.000 1.640 738 T CA -1.768 60.303 62.100 -0.049 0.000 1.631 738 T CB 0.656 69.529 68.868 0.007 0.000 0.928 738 T HN -0.098 nan 8.240 nan 0.000 0.688 739 P HA -0.198 nan 4.420 nan 0.000 0.219 739 P C 1.081 178.291 177.300 -0.150 0.000 1.151 739 P CA 1.308 64.323 63.100 -0.142 0.000 0.850 739 P CB 0.064 31.710 31.700 -0.090 0.000 0.784 740 N N -0.016 118.622 118.700 -0.103 0.000 2.515 740 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 740 N C 0.597 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.673 53.675 53.050 -0.080 0.000 0.903 740 N CB 0.123 38.585 38.487 -0.042 0.000 0.969 740 N HN 0.548 nan 8.380 nan 0.000 0.450 741 E N -1.605 118.500 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.525 174.932 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.531 56.400 -0.141 0.000 0.863 741 E CB 0.246 29.903 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 0.244 175.953 175.800 -0.152 0.000 1.129 742 F CA -0.274 57.697 58.000 -0.049 0.000 1.154 742 F CB 1.177 40.195 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.088 124.294 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 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 -0.146 56.217 56.400 -0.062 0.000 0.819 743 E CB 1.053 30.752 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.545 123.867 120.570 -0.414 0.000 2.353 744 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 744 I C 0.608 176.589 176.117 -0.227 0.000 1.119 744 I CA 1.243 62.078 61.300 -0.775 0.000 1.417 744 I CB 0.039 37.385 38.000 -1.090 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.176 120.208 120.400 -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 55.442 56.287 0.135 0.000 0.854 745 K CB 1.779 34.459 32.500 0.301 0.000 1.424 745 K HN -0.204 nan 8.250 nan 0.000 0.427 746 R N 0.468 121.047 120.500 0.131 0.000 2.740 746 R HA 0.561 4.901 4.340 -0.000 0.000 0.282 746 R C -0.838 175.521 176.300 0.099 0.000 0.969 746 R CA -0.589 55.572 56.100 0.102 0.000 0.918 746 R CB 2.122 32.485 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.806 117.548 115.700 0.071 0.000 2.461 747 S HA 0.407 4.877 4.470 -0.000 0.000 0.322 747 S C 1.167 175.794 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.357 63.588 63.200 0.052 0.000 0.968 747 S HN 0.548 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 2.370 178.473 176.094 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 29.689 31.823 0.023 0.000 0.759 748 V HN 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.370 120.775 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 -0.000 0.000 0.203 749 D C 1.784 178.068 176.300 -0.027 0.000 0.988 749 D CA 2.067 56.061 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 1.227 nan 8.370 nan 0.000 0.469 750 G N -1.207 107.587 108.800 -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 1.036 175.938 174.900 0.003 0.000 1.057 750 G CA 0.479 45.560 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.656 121.865 120.200 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 1.753 58.177 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 -0.449 108.359 108.800 0.014 0.000 2.550 752 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.222 752 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.222 752 G C 1.225 176.251 174.900 0.210 0.000 1.113 752 G CA 1.186 46.314 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.969 121.289 120.300 0.033 0.000 2.490 753 Y HA 0.228 4.778 4.550 -0.000 0.000 0.281 753 Y C 1.034 176.961 175.900 0.045 0.000 1.174 753 Y CA -1.121 57.002 58.100 0.038 0.000 1.295 753 Y CB -0.413 38.067 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.534 118.283 118.700 0.195 0.000 2.434 754 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 754 N C -0.434 175.118 175.510 0.069 0.000 1.223 754 N CA -0.116 53.010 53.050 0.126 0.000 0.972 754 N CB 2.209 40.768 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.084 118.837 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.441 175.572 176.094 -0.135 0.000 1.310 755 V CA 0.028 62.273 62.300 -0.092 0.000 1.067 755 V CB 1.343 33.047 31.823 -0.198 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.696 124.376 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.765 178.334 177.584 -0.025 0.000 1.393 756 A CA 2.040 53.972 52.037 -0.174 0.000 0.909 756 A CB -2.284 16.571 19.000 -0.242 0.000 1.012 756 A HN 1.700 nan 8.150 nan 0.000 0.653 757 Q N -4.392 115.406 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.308 176.347 176.000 0.065 0.000 1.127 757 Q CA 1.207 57.028 55.803 0.029 0.000 0.952 757 Q CB -2.743 26.006 28.738 0.018 0.000 1.333 757 Q HN 2.177 nan 8.270 nan 0.000 0.494 758 C N -2.379 116.981 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.191 176.306 174.990 0.207 0.000 1.694 758 C CA -0.198 58.924 59.018 0.173 0.000 1.244 758 C CB 0.902 28.770 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.675 119.560 118.700 0.309 0.000 2.370 759 N HA 0.073 4.813 4.740 -0.000 0.000 0.198 759 N C 0.145 175.843 175.510 0.314 0.000 1.156 759 N CA -0.018 53.206 53.050 0.289 0.000 0.839 759 N CB -0.242 38.413 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.649 121.414 119.600 0.275 0.000 2.242 760 M HA 0.097 4.577 4.480 -0.000 0.000 0.344 760 M C 0.164 176.549 176.300 0.142 0.000 1.140 760 M CA -0.304 55.101 55.300 0.176 0.000 1.160 760 M CB 0.940 33.548 32.600 0.013 0.000 1.491 760 M HN 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.095 115.739 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.747 175.521 174.700 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 70.090 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.558 121.004 120.400 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 1.660 57.991 56.287 0.074 0.000 0.931 762 K CB -0.205 32.318 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.178 120.598 120.400 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 0.924 54.932 54.000 0.013 0.000 0.834 763 D CB -0.281 40.507 40.800 -0.021 0.000 0.956 763 D HN 0.365 nan 8.370 nan 0.000 0.448 764 W N 0.380 121.618 121.300 -0.103 0.000 2.358 764 W HA -0.237 4.423 4.660 0.000 0.000 0.303 764 W C 2.130 178.504 176.519 -0.243 0.000 1.208 764 W CA 0.511 57.746 57.345 -0.184 0.000 1.274 764 W CB -0.546 28.789 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.266 121.075 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 765 F C 2.273 177.867 175.800 -0.344 0.000 1.089 765 F CA 1.892 59.669 58.000 -0.373 0.000 1.282 765 F CB -0.942 37.861 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.285 120.850 121.223 -0.145 0.000 2.027 766 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 766 L C 2.169 178.810 176.870 -0.383 0.000 1.074 766 L CA 1.705 56.490 54.840 -0.092 0.000 0.745 766 L CB -0.999 41.081 42.059 0.034 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.273 119.314 119.914 -0.545 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.692 178.293 176.094 -0.822 0.000 1.051 767 V CA 1.638 63.480 62.300 -0.763 0.000 1.036 767 V CB -0.796 30.478 31.823 -0.916 0.000 0.654 767 V HN 0.506 nan 8.190 nan 0.000 0.451 768 Q N -0.911 118.237 119.800 -1.088 0.000 2.084 768 Q HA -0.104 4.236 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 -0.450 27.174 28.738 -1.857 0.000 0.898 768 Q HN 0.471 nan 8.270 nan 0.000 0.426 769 M N -0.013 119.175 119.600 -0.687 0.000 2.132 769 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 769 M C 2.300 178.472 176.300 -0.214 0.000 1.065 769 M CA 1.142 56.252 55.300 -0.317 0.000 1.122 769 M CB -0.900 31.496 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.318 120.726 121.223 -0.299 0.000 2.044 770 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 770 L C 2.780 179.536 176.870 -0.191 0.000 1.075 770 L CA 1.159 55.869 54.840 -0.217 0.000 0.747 770 L CB -0.996 40.944 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.061 122.722 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 771 A C 2.106 179.504 177.584 -0.311 0.000 1.176 771 A CA 2.074 53.964 52.037 -0.246 0.000 0.631 771 A CB -0.600 18.214 19.000 -0.310 0.000 0.814 771 A HN 0.508 nan 8.150 nan 0.000 0.446 772 N N -2.108 116.303 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.470 175.472 175.510 -0.846 0.000 1.019 772 N CA 1.495 54.078 53.050 -0.778 0.000 0.869 772 N CB 0.048 37.798 38.487 -1.228 0.000 1.000 772 N HN 0.674 nan 8.380 nan 0.000 0.431 773 Y N -0.783 119.443 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 -0.000 0.000 0.252 773 Y C 0.059 175.889 175.900 -0.117 0.000 1.132 773 Y CA -0.643 57.385 58.100 -0.121 0.000 1.228 773 Y CB 0.100 38.463 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.662 119.353 118.700 -0.014 0.000 2.800 774 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 774 N C -0.723 174.754 175.510 -0.055 0.000 1.078 774 N CA 0.823 53.863 53.050 -0.017 0.000 0.804 774 N CB -1.419 37.085 38.487 0.028 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.625 119.880 120.570 -0.107 0.000 2.331 775 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 775 I C 1.466 177.390 176.117 -0.322 0.000 0.998 775 I CA 0.525 61.683 61.300 -0.236 0.000 1.267 775 I CB 1.497 39.256 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.978 112.510 108.800 -0.447 0.000 3.859 776 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.198 776 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.198 776 G C 0.422 174.918 174.900 -0.674 0.000 0.972 776 G CA -0.212 44.453 45.100 -0.726 0.000 0.882 776 G HN 0.457 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 0.340 4.890 4.550 -0.000 0.000 0.287 777 Y C 2.172 177.999 175.900 -0.122 0.000 1.128 777 Y CA 1.115 59.130 58.100 -0.143 0.000 1.282 777 Y CB 0.440 38.854 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.070 119.875 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.081 176.098 176.000 0.028 0.000 0.899 778 Q CA -0.041 55.781 55.803 0.031 0.000 1.139 778 Q CB 0.950 29.732 28.738 0.072 0.000 1.273 778 Q HN 0.375 nan 8.270 nan 0.000 0.431 779 G N 0.595 109.331 108.800 -0.106 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 -1.118 173.695 174.900 -0.145 0.000 1.277 779 G CA -1.038 44.018 45.100 -0.074 0.000 0.799 779 G HN 0.156 nan 8.290 nan 0.000 0.613 780 F N 1.233 121.247 119.950 0.107 0.000 2.421 780 F HA 0.825 5.352 4.527 0.000 0.000 0.337 780 F C 0.706 176.553 175.800 0.079 0.000 1.105 780 F CA -0.237 57.760 58.000 -0.005 0.000 1.049 780 F CB 1.628 40.712 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.186 120.194 120.300 0.134 0.000 2.689 781 Y HA 0.624 5.174 4.550 -0.000 0.000 0.333 781 Y C -1.121 174.641 175.900 -0.230 0.000 1.208 781 Y CA -2.126 55.964 58.100 -0.018 0.000 1.055 781 Y CB 0.456 38.892 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 -2.020 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.477 59.512 61.300 -0.518 0.000 1.420 782 I CB 0.359 38.177 38.000 -0.303 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.129 nan 4.420 nan 0.000 0.269 783 P C -0.226 176.849 177.300 -0.376 0.000 1.215 783 P CA -0.209 62.509 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.258 0.000 0.898 784 E N 0.969 120.991 120.200 -0.297 0.000 2.415 784 E HA 0.093 4.443 4.350 -0.000 0.000 0.263 784 E C 1.338 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.226 56.463 56.400 -0.272 0.000 0.915 784 E CB -0.720 28.781 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.016 116.633 115.700 -0.138 0.000 2.389 785 S HA -0.319 4.151 4.470 -0.000 0.000 0.231 785 S C 1.952 176.531 174.600 -0.034 0.000 1.052 785 S CA 2.094 60.263 58.200 -0.051 0.000 1.053 785 S CB -0.962 62.255 63.200 0.028 0.000 0.886 785 S HN 0.989 nan 8.310 nan 0.000 0.456 786 Y N 1.788 122.103 120.300 0.024 0.000 2.497 786 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 786 Y C 1.637 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.519 58.639 58.100 0.034 0.000 1.285 786 Y CB -0.530 37.945 38.460 0.024 0.000 0.991 786 Y HN 0.126 nan 8.280 nan 0.000 0.556 787 K N -0.313 119.824 120.400 -0.439 0.000 2.352 787 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 787 K C -0.213 176.463 176.600 0.126 0.000 1.038 787 K CA 0.586 56.788 56.287 -0.143 0.000 1.023 787 K CB 0.242 32.627 32.500 -0.192 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.306 122.741 120.400 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 -0.310 53.795 54.000 0.175 0.000 0.964 788 D CB 0.318 41.143 40.800 0.043 0.000 1.011 788 D HN -0.005 nan 8.370 nan 0.000 0.517 789 R N 1.933 122.510 120.500 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 -0.110 30.232 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.124 119.665 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 790 M C 0.612 176.733 176.300 -0.299 0.000 1.069 790 M CA 2.040 57.165 55.300 -0.291 0.000 1.102 790 M CB -0.031 32.236 32.600 -0.554 0.000 1.336 790 M HN 0.445 nan 8.290 nan 0.000 0.404 791 Y N -0.241 120.089 120.300 0.051 0.000 2.532 791 Y HA 0.300 4.850 4.550 -0.000 0.000 0.283 791 Y C 0.835 176.784 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.392 38.105 38.460 0.062 0.000 1.112 791 Y HN 0.024 nan 8.280 nan 0.000 0.521 792 S N 0.062 115.876 115.700 0.190 0.000 2.645 792 S HA 0.077 4.547 4.470 -0.000 0.000 0.266 792 S C 0.952 175.698 174.600 0.243 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.584 63.932 63.200 0.248 0.000 0.967 792 S HN 0.391 nan 8.310 nan 0.000 0.556 793 F N 1.557 121.586 119.950 0.131 0.000 2.022 793 F HA -0.056 4.471 4.527 -0.000 0.000 0.293 793 F C 1.849 177.815 175.800 0.278 0.000 1.142 793 F CA 1.420 59.512 58.000 0.153 0.000 1.177 793 F CB -0.817 38.214 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.552 121.395 119.950 -0.179 0.000 2.043 794 F HA -0.271 4.256 4.527 0.000 0.000 0.297 794 F C 2.838 178.573 175.800 -0.108 0.000 1.121 794 F CA 2.561 60.391 58.000 -0.283 0.000 1.199 794 F CB -0.714 38.226 39.000 -0.099 0.000 0.968 794 F HN 0.061 nan 8.300 nan 0.000 0.478 795 R N 0.502 121.066 120.500 0.106 0.000 2.170 795 R HA -0.191 4.149 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 2.093 58.204 56.100 0.019 0.000 0.984 795 R CB -0.494 29.858 30.300 0.086 0.000 0.869 795 R HN 0.348 nan 8.270 nan 0.000 0.455 796 N N -0.661 118.003 118.700 -0.059 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.726 174.781 175.510 -0.004 0.000 1.114 796 N CA -0.017 53.029 53.050 -0.006 0.000 0.859 796 N CB 0.299 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 3.129 122.867 119.950 -0.354 0.000 2.472 797 F HA 0.178 4.705 4.527 -0.000 0.000 0.364 797 F C -0.138 175.525 175.800 -0.228 0.000 1.090 797 F CA -0.185 57.614 58.000 -0.335 0.000 1.188 797 F CB 0.548 39.131 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.616 128.098 119.800 -0.531 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.702 173.009 176.000 -0.482 0.000 0.997 798 Q CA -1.981 53.537 55.803 -0.474 0.000 0.709 798 Q CB 1.623 30.239 28.738 -0.202 0.000 1.255 798 Q HN 0.412 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.526 176.701 177.300 -0.121 0.000 1.259 799 P CA -0.236 62.669 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.513 31.700 -0.323 0.000 0.940 800 M N 1.121 120.719 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 800 M C -0.307 176.176 176.300 0.305 0.000 1.205 800 M CA -0.312 55.047 55.300 0.097 0.000 0.876 800 M CB 2.602 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 0.387 116.328 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.498 173.184 174.600 0.137 0.000 1.135 801 S CA -0.936 57.451 58.200 0.313 0.000 0.858 801 S CB 2.585 65.867 63.200 0.136 0.000 1.114 801 S HN 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.766 121.149 120.500 -0.195 0.000 2.728 802 R HA 0.666 5.006 4.340 -0.000 0.000 0.274 802 R C -2.230 173.856 176.300 -0.357 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.686 30.430 30.300 -0.927 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.369 119.996 119.800 -0.290 0.000 2.377 803 Q HA 0.681 5.021 4.340 -0.000 0.000 0.271 803 Q C -1.127 174.738 176.000 -0.224 0.000 1.077 803 Q CA -0.753 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.944 31.595 28.738 -0.145 0.000 1.347 803 Q HN 0.601 nan 8.270 nan 0.000 0.444 804 V N -1.745 118.057 119.914 -0.186 0.000 3.078 804 V HA 0.736 4.856 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 -0.151 0.000 1.007 804 V CB 1.395 33.133 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.056 119.892 119.914 -0.129 0.000 2.694 805 V HA 0.192 4.312 4.120 -0.000 0.000 0.306 805 V C 0.391 176.360 176.094 -0.209 0.000 1.054 805 V CA 0.294 62.471 62.300 -0.206 0.000 1.161 805 V CB 0.209 31.898 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.754 124.031 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.261 176.300 -0.254 0.000 1.192 806 D CA -0.349 53.543 54.000 -0.181 0.000 0.882 806 D CB 0.990 41.723 40.800 -0.111 0.000 1.038 806 D HN 0.783 nan 8.370 nan 0.000 0.499 807 D N 1.593 121.733 120.400 -0.434 0.000 2.265 807 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 807 D C 1.343 177.443 176.300 -0.333 0.000 0.977 807 D CA 0.962 54.504 54.000 -0.763 0.000 0.871 807 D CB -0.313 39.951 40.800 -0.894 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.208 110.240 114.554 -0.177 0.000 3.069 808 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 808 T C 1.542 176.216 174.700 -0.044 0.000 1.053 808 T CA 0.752 62.803 62.100 -0.082 0.000 0.964 808 T CB 0.306 69.137 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.049 120.428 120.400 -0.035 0.000 2.502 809 K HA 0.332 4.652 4.320 -0.000 0.000 0.211 809 K C 0.230 176.861 176.600 0.051 0.000 1.259 809 K CA -0.234 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 -0.200 57.855 58.100 -0.076 0.000 1.321 810 Y CB 0.351 38.726 38.460 -0.142 0.000 1.151 810 Y HN 0.332 nan 8.280 nan 0.000 0.525 811 K N 2.983 123.216 120.400 -0.279 0.000 2.077 811 K HA -0.227 4.093 4.320 -0.000 0.000 0.213 811 K C 1.060 177.427 176.600 -0.389 0.000 1.051 811 K CA 2.525 58.645 56.287 -0.278 0.000 0.929 811 K CB -0.726 31.657 32.500 -0.195 0.000 0.715 811 K HN 0.804 nan 8.250 nan 0.000 0.451 812 D N -1.560 118.347 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.093 176.200 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.627 39.916 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 0.073 176.050 175.900 0.129 0.000 1.263 813 Y CA 0.566 58.686 58.100 0.033 0.000 1.547 813 Y CB 0.367 38.864 38.460 0.063 0.000 1.272 813 Y HN -0.169 nan 8.280 nan 0.000 0.596 814 Q N 5.430 124.851 119.800 -0.632 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.389 174.197 176.000 -0.690 0.000 1.015 814 Q CA -0.735 54.772 55.803 -0.494 0.000 0.775 814 Q CB 1.894 30.579 28.738 -0.089 0.000 1.256 814 Q HN 0.808 nan 8.270 nan 0.000 0.442 815 Q N 2.263 121.749 119.800 -0.523 0.000 2.452 815 Q HA 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.021 174.966 176.000 -0.020 0.000 1.180 815 Q CA -0.061 55.647 55.803 -0.158 0.000 0.914 815 Q CB 0.259 29.048 28.738 0.087 0.000 1.408 815 Q HN 0.309 nan 8.270 nan 0.000 0.520 816 V N 3.525 123.445 119.914 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 -0.534 61.772 62.300 0.009 0.000 0.857 816 V CB 1.284 33.091 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.590 111.386 108.800 -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 0.864 175.671 174.900 -0.155 0.000 1.237 817 G CA -0.539 44.524 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.669 119.806 120.570 -0.158 0.000 2.194 818 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 818 I C 2.517 178.535 176.117 -0.165 0.000 1.093 818 I CA 1.174 62.373 61.300 -0.170 0.000 1.355 818 I CB -0.812 37.116 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.141 120.937 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.743 178.350 176.870 -0.440 0.000 1.095 819 L CA 1.832 56.450 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 0.496 nan 8.230 nan 0.000 0.436 820 H N -2.768 116.325 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 -0.000 0.000 0.268 820 H C 0.023 175.345 175.328 -0.010 0.000 1.148 820 H CA -0.419 55.654 56.048 0.041 0.000 1.146 820 H CB 0.479 30.248 29.762 0.011 0.000 1.607 820 H HN 0.299 nan 8.280 nan 0.000 0.566 821 Q N 2.147 121.936 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.354 175.658 176.000 0.020 0.000 0.915 821 Q CA -0.541 55.169 55.803 -0.155 0.000 0.915 821 Q CB 1.082 29.536 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.981 120.082 119.070 0.051 0.000 2.744 822 H HA 0.529 5.085 4.556 -0.000 0.000 0.339 822 H C -1.432 173.957 175.328 0.101 0.000 1.004 822 H CA -0.902 55.200 56.048 0.091 0.000 1.257 822 H CB 1.310 31.117 29.762 0.076 0.000 1.552 822 H HN 0.488 nan 8.280 nan 0.000 0.522 823 N N 3.556 122.404 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.566 175.123 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.867 39.340 38.487 -0.022 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.143 118.735 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.576 175.177 175.510 0.405 0.000 0.969 824 N CA 1.070 54.337 53.050 0.363 0.000 0.941 824 N CB -1.448 37.217 38.487 0.297 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.562 115.315 115.700 0.295 0.000 2.558 825 S HA 0.363 4.833 4.470 -0.000 0.000 0.293 825 S C 1.622 176.216 174.600 -0.010 0.000 1.292 825 S CA 1.233 59.518 58.200 0.142 0.000 1.063 825 S CB 1.293 64.542 63.200 0.081 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.253 110.947 108.800 -0.177 0.000 2.225 826 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 826 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 826 G C 0.191 174.653 174.900 -0.730 0.000 0.988 826 G CA 0.403 45.201 45.100 -0.503 0.000 0.625 826 G HN 0.865 nan 8.290 nan 0.000 0.527 827 F N -0.434 119.530 119.950 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 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.403 119.592 119.914 0.133 0.000 3.040 828 V HA 0.768 4.888 4.120 -0.000 0.000 0.312 828 V C 0.256 176.368 176.094 0.029 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.922 33.808 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.778 109.572 108.800 -0.010 0.000 2.539 829 G HA2 0.326 4.286 3.960 -0.000 0.000 0.258 829 G HA3 0.326 4.286 3.960 -0.000 0.000 0.258 829 G C -1.258 173.679 174.900 0.061 0.000 1.202 829 G CA 0.008 45.100 45.100 -0.014 0.000 0.851 829 G HN 0.650 nan 8.290 nan 0.000 0.556 830 Y N 1.423 121.687 120.300 -0.061 0.000 2.383 830 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 830 Y C 1.041 176.934 175.900 -0.013 0.000 0.986 830 Y CA -1.006 57.072 58.100 -0.037 0.000 1.175 830 Y CB 0.372 38.801 38.460 -0.052 0.000 1.152 830 Y HN 0.523 nan 8.280 nan 0.000 0.511 831 L N 4.047 125.008 121.223 -0.437 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.118 176.722 176.870 -0.050 0.000 1.177 831 L CA 0.963 55.590 54.840 -0.355 0.000 0.968 831 L CB -1.950 39.714 42.059 -0.658 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.917 120.872 122.820 -0.052 0.000 2.567 832 A HA 0.721 5.041 4.320 -0.000 0.000 0.291 832 A C -2.592 174.917 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.933 19.949 19.000 0.027 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 0.491 177.667 177.300 -0.208 0.000 1.668 833 P CA 0.545 63.453 63.100 -0.320 0.000 0.898 833 P CB -0.670 30.789 31.700 -0.401 0.000 1.637 834 T N -4.041 110.422 114.554 -0.151 0.000 2.902 834 T HA 0.403 4.753 4.350 -0.000 0.000 0.287 834 T C 0.606 175.220 174.700 -0.143 0.000 1.048 834 T CA -1.024 60.989 62.100 -0.145 0.000 0.941 834 T CB 0.368 69.144 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.663 121.168 119.600 -0.159 0.000 2.252 835 M HA 0.184 4.664 4.480 -0.000 0.000 0.329 835 M C 0.280 176.513 176.300 -0.112 0.000 1.101 835 M CA -0.588 54.630 55.300 -0.137 0.000 1.117 835 M CB 0.485 32.987 32.600 -0.162 0.000 1.563 835 M HN 0.752 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 0.280 4.620 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 0.032 56.093 56.100 -0.066 0.000 1.128 836 R CB -0.007 30.270 30.300 -0.039 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.578 119.562 120.200 -0.099 0.000 2.439 837 E HA 0.601 4.951 4.350 -0.000 0.000 0.279 837 E C -0.389 176.124 176.600 -0.145 0.000 1.077 837 E CA -1.059 55.268 56.400 -0.121 0.000 0.849 837 E CB 0.810 30.446 29.700 -0.106 0.000 1.408 837 E HN 0.840 nan 8.360 nan 0.000 0.457 838 G N 0.522 109.224 108.800 -0.164 0.000 2.545 838 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.216 838 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.216 838 G C -1.154 173.621 174.900 -0.208 0.000 1.314 838 G CA 0.022 45.011 45.100 -0.185 0.000 0.906 838 G HN 0.951 nan 8.290 nan 0.000 0.563 839 Q N -1.418 118.260 119.800 -0.203 0.000 2.482 839 Q HA 0.760 5.100 4.340 -0.000 0.000 0.286 839 Q C -0.146 175.790 176.000 -0.107 0.000 1.007 839 Q CA -0.446 55.246 55.803 -0.185 0.000 0.801 839 Q CB 1.565 30.235 28.738 -0.114 0.000 1.455 839 Q HN 2.277 nan 8.270 nan 0.000 0.398 840 A N 1.298 124.071 122.820 -0.078 0.000 2.555 840 A HA 0.398 4.718 4.320 -0.000 0.000 0.233 840 A C -1.097 176.644 177.584 0.261 0.000 1.060 840 A CA 0.707 52.830 52.037 0.142 0.000 0.759 840 A CB -0.057 19.073 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.374 120.727 120.300 0.089 0.000 2.554 841 Y HA 0.336 4.886 4.550 -0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.258 56.875 58.100 0.056 0.000 1.255 841 Y CB 1.314 39.745 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.238 nan 4.420 nan 0.000 0.261 842 P C -0.629 176.809 177.300 0.230 0.000 1.183 842 P CA 0.336 63.457 63.100 0.035 0.000 0.761 842 P CB 0.366 32.019 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 0.113 4.433 4.320 -0.000 0.000 0.238 843 A C 1.171 178.743 177.584 -0.019 0.000 1.074 843 A CA -0.140 51.956 52.037 0.099 0.000 0.774 843 A CB -0.104 18.892 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.066 118.514 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 -0.000 0.000 0.218 844 N C -0.668 174.731 175.510 -0.186 0.000 1.182 844 N CA -0.075 52.831 53.050 -0.240 0.000 0.882 844 N CB 0.312 38.523 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.349 120.070 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.988 172.527 175.800 -0.474 0.000 1.120 845 F CA -1.352 56.401 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.404 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.285 nan 4.420 nan 0.000 0.284 846 P C -1.458 175.433 177.300 -0.682 0.000 1.292 846 P CA -0.212 62.015 63.100 -1.455 0.000 0.800 846 P CB 0.739 31.749 31.700 -1.150 0.000 1.188 847 Y N -0.076 119.953 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 847 Y C -1.366 174.394 175.900 -0.233 0.000 1.157 847 Y CA -1.414 56.535 58.100 -0.251 0.000 1.372 847 Y CB -0.869 37.470 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.144 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 0.126 63.197 63.100 -0.047 0.000 0.766 848 P CB 0.744 32.426 31.700 -0.030 0.000 0.845 849 L N 2.894 124.070 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.067 177.894 176.870 -0.073 0.000 1.123 849 L CA 0.115 54.899 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 -4.011 116.525 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.353 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.693 60.582 61.300 -0.042 0.000 0.985 850 I CB 1.700 39.680 38.000 -0.032 0.000 1.240 850 I HN -0.027 nan 8.210 nan 0.000 0.464 851 G N 2.086 110.871 108.800 -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 -0.057 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.031 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.867 119.528 120.400 -0.008 0.000 2.504 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 852 K C 1.854 178.455 176.600 0.002 0.000 1.036 852 K CA 1.356 57.642 56.287 -0.003 0.000 0.984 852 K CB 0.089 32.590 32.500 0.001 0.000 0.788 852 K HN 0.367 nan 8.250 nan 0.000 0.488 853 T N 0.590 115.145 114.554 0.001 0.000 3.044 853 T HA 0.216 4.566 4.350 -0.000 0.000 0.260 853 T C 0.163 174.857 174.700 -0.011 0.000 1.019 853 T CA -0.244 61.863 62.100 0.012 0.000 0.921 853 T CB 0.272 69.155 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.932 124.729 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.768 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.073 51.914 52.037 -0.084 0.000 0.753 854 A CB -0.186 18.770 19.000 -0.074 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.779 120.521 119.914 -0.286 0.000 2.953 855 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 855 V C 0.212 176.110 176.094 -0.326 0.000 1.073 855 V CA -1.169 60.806 62.300 -0.540 0.000 1.064 855 V CB 0.728 31.840 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.722 122.986 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 856 D C 0.454 176.659 176.300 -0.160 0.000 1.154 856 D CA 0.682 54.619 54.000 -0.105 0.000 0.876 856 D CB 1.037 41.839 40.800 0.003 0.000 1.161 856 D HN 0.958 nan 8.370 nan 0.000 0.478 857 S N 1.668 117.293 115.700 -0.125 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.481 174.058 174.600 -0.101 0.000 1.115 857 S CA -0.873 57.248 58.200 -0.131 0.000 0.965 857 S CB 2.047 65.169 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.522 121.027 120.570 -0.107 0.000 2.647 858 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 858 I C -0.451 175.609 176.117 -0.095 0.000 1.078 858 I CA -0.070 61.177 61.300 -0.088 0.000 1.048 858 I CB 2.389 40.337 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.791 120.304 114.554 -0.069 0.000 2.837 859 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 859 T C -0.630 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.558 61.502 62.100 -0.067 0.000 1.049 859 T CB 0.857 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.431 nan 8.240 nan 0.000 0.472 860 Q N 1.988 121.747 119.800 -0.069 0.000 2.321 860 Q HA 0.486 4.827 4.340 -0.000 0.000 0.270 860 Q C -0.974 175.122 176.000 0.161 0.000 1.032 860 Q CA -0.872 54.940 55.803 0.015 0.000 0.784 860 Q CB 2.345 31.050 28.738 -0.055 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.177 122.720 120.400 0.237 0.000 2.371 861 K HA 0.638 4.958 4.320 -0.000 0.000 0.251 861 K C -0.770 175.991 176.600 0.268 0.000 0.934 861 K CA -0.903 55.554 56.287 0.282 0.000 0.798 861 K CB 2.336 34.952 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.470 121.004 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.495 175.202 176.600 0.163 0.000 0.982 862 K CA -0.994 55.359 56.287 0.109 0.000 0.794 862 K CB 1.221 33.664 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.331 118.609 119.950 -0.017 0.000 2.744 863 F HA 0.649 5.176 4.527 0.000 0.000 0.311 863 F C -2.377 173.420 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.872 39.936 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.024 123.346 121.223 0.166 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.632 176.496 176.870 0.431 0.000 1.010 864 L CA -0.835 54.079 54.840 0.123 0.000 0.818 864 L CB 1.798 43.824 42.059 -0.056 0.000 1.306 864 L HN 1.030 nan 8.230 nan 0.000 0.430 865 C N 2.039 121.601 119.300 0.437 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.434 174.709 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.015 27.068 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.548 122.123 120.400 0.291 0.000 2.354 866 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 866 D C 1.042 177.551 176.300 0.350 0.000 1.250 866 D CA 0.372 54.594 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 -1.387 119.393 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 -0.000 0.000 0.248 867 R C -0.916 175.659 176.300 0.459 0.000 0.981 867 R CA 0.978 57.358 56.100 0.467 0.000 0.662 867 R CB -2.374 28.178 30.300 0.420 0.000 1.037 867 R HN 0.384 nan 8.270 nan 0.000 0.460 868 T N -0.173 114.582 114.554 0.335 0.000 2.816 868 T HA 0.684 5.034 4.350 -0.000 0.000 0.299 868 T C -1.061 173.576 174.700 -0.106 0.000 1.230 868 T CA -0.808 61.391 62.100 0.165 0.000 1.007 868 T CB 1.303 70.232 68.868 0.100 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.838 122.934 121.223 -0.212 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.584 176.043 176.870 -0.405 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.442 0.000 0.817 869 L CB 1.672 43.497 42.059 -0.390 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.835 123.789 121.300 -0.576 0.000 2.181 870 W HA 0.326 4.986 4.660 -0.000 0.000 0.335 870 W C 0.292 176.440 176.519 -0.619 0.000 1.310 870 W CA -0.477 56.478 57.345 -0.649 0.000 1.226 870 W CB 0.607 29.349 29.460 -1.198 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.245 123.639 120.500 -0.177 0.000 2.686 871 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 871 R C -0.936 175.240 176.300 -0.206 0.000 0.969 871 R CA -0.950 55.034 56.100 -0.193 0.000 0.898 871 R CB 1.852 32.019 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.665 124.239 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.433 173.893 176.117 0.348 0.000 1.089 872 I CA -2.193 59.180 61.300 0.123 0.000 1.103 872 I CB 1.871 39.936 38.000 0.108 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.077 nan 4.420 nan 0.000 0.275 873 P C -0.336 177.225 177.300 0.434 0.000 1.227 873 P CA -0.216 63.023 63.100 0.231 0.000 0.781 873 P CB 0.659 32.459 31.700 0.166 0.000 0.906 874 F N 2.310 122.211 119.950 -0.080 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.396 176.225 175.800 0.049 0.000 1.192 874 F CA -0.150 57.788 58.000 -0.104 0.000 1.317 874 F CB -0.561 38.126 39.000 -0.522 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.266 116.043 115.700 0.129 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.073 175.616 174.600 -0.096 0.000 1.098 875 S CA -0.043 58.153 58.200 -0.007 0.000 0.999 875 S CB 1.271 64.493 63.200 0.036 0.000 1.034 875 S HN 0.474 nan 8.310 nan 0.000 0.483 876 S N 3.553 119.165 115.700 -0.147 0.000 2.407 876 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 876 S C 0.964 175.366 174.600 -0.330 0.000 1.036 876 S CA 1.901 59.973 58.200 -0.213 0.000 1.013 876 S CB -0.732 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 -0.783 117.777 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.960 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 -0.678 37.794 38.487 -0.025 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.367 118.648 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 0.000 0.000 0.358 878 F C 0.451 176.266 175.800 0.024 0.000 0.639 878 F CA 0.617 58.665 58.000 0.079 0.000 1.153 878 F CB -2.048 36.974 39.000 0.037 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.277 119.427 119.600 0.175 0.000 2.283 879 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 879 M C 0.684 177.014 176.300 0.051 0.000 1.153 879 M CA -0.100 55.261 55.300 0.102 0.000 1.084 879 M CB 0.804 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 2.038 117.752 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.223 174.831 174.600 0.013 0.000 1.093 880 S CA -0.452 57.750 58.200 0.002 0.000 1.077 880 S CB 0.174 63.361 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.266 121.873 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 -0.000 0.000 0.337 881 M C 0.606 176.915 176.300 0.015 0.000 1.074 881 M CA -0.193 55.115 55.300 0.014 0.000 0.968 881 M CB 0.913 33.519 32.600 0.010 0.000 1.472 881 M HN 0.815 nan 8.290 nan 0.000 0.539 882 G N -0.189 108.620 108.800 0.015 0.000 2.307 882 G HA2 0.283 4.243 3.960 -0.000 0.000 0.348 882 G HA3 0.283 4.243 3.960 -0.000 0.000 0.348 882 G C 0.093 175.016 174.900 0.037 0.000 1.603 882 G CA -0.509 44.607 45.100 0.026 0.000 0.961 882 G HN 0.081 nan 8.290 nan 0.000 0.686 883 A N 0.285 123.140 122.820 0.058 0.000 1.892 883 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 883 A C 1.652 179.377 177.584 0.236 0.000 1.188 883 A CA 2.193 54.279 52.037 0.081 0.000 0.631 883 A CB -0.296 18.788 19.000 0.139 0.000 0.822 883 A HN 1.810 nan 8.150 nan 0.000 0.447 884 L N 2.108 123.503 121.223 0.286 0.000 2.334 884 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 884 L C 0.863 177.809 176.870 0.127 0.000 1.108 884 L CA 0.277 55.274 54.840 0.263 0.000 0.875 884 L CB -0.306 41.798 42.059 0.075 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.030 114.595 114.554 0.118 0.000 2.795 885 T HA 0.040 4.390 4.350 -0.000 0.000 0.314 885 T C 1.126 175.848 174.700 0.037 0.000 1.069 885 T CA 0.252 62.384 62.100 0.053 0.000 1.071 885 T CB 0.544 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.510 121.908 120.400 -0.004 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.076 178.365 176.300 -0.019 0.000 0.982 886 D CA 1.187 55.179 54.000 -0.012 0.000 0.828 886 D CB -0.578 40.204 40.800 -0.030 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.364 121.523 121.223 -0.108 0.000 2.072 887 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 887 L C 2.707 179.591 176.870 0.024 0.000 1.079 887 L CA 1.304 56.018 54.840 -0.210 0.000 0.752 887 L CB -0.820 40.697 42.059 -0.903 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.190 108.691 108.800 0.135 0.000 2.501 888 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 888 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 888 G C 1.342 176.372 174.900 0.217 0.000 1.114 888 G CA 0.690 45.959 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.222 119.666 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.476 4.340 -0.000 0.000 0.214 889 Q C 0.268 176.340 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.034 28.741 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.627 120.432 118.700 0.174 0.000 2.492 890 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 890 N C 1.012 176.604 175.510 0.136 0.000 1.202 890 N CA 0.081 53.225 53.050 0.157 0.000 0.926 890 N CB 0.892 39.514 38.487 0.225 0.000 1.078 890 N HN 0.333 nan 8.380 nan 0.000 0.454 891 L N 3.057 124.317 121.223 0.062 0.000 2.081 891 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 891 L C 2.197 179.076 176.870 0.015 0.000 1.080 891 L CA 1.148 56.013 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 -1.843 119.336 121.223 -0.074 0.000 2.265 892 L HA -0.204 4.136 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 1.754 56.460 54.840 -0.223 0.000 0.782 892 L CB -0.716 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.096 nan 8.230 nan 0.000 0.441 893 Y N -0.826 119.514 120.300 0.067 0.000 2.462 893 Y HA 0.463 5.013 4.550 -0.000 0.000 0.261 893 Y C 2.249 178.260 175.900 0.185 0.000 1.146 893 Y CA 0.306 58.470 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 -0.136 122.821 122.820 0.228 0.000 1.963 894 A HA 0.029 4.349 4.320 -0.000 0.000 0.207 894 A C 1.599 179.252 177.584 0.115 0.000 1.243 894 A CA 0.541 52.677 52.037 0.165 0.000 0.728 894 A CB -0.259 18.814 19.000 0.121 0.000 0.895 894 A HN 0.211 nan 8.150 nan 0.000 0.467 895 N N 0.851 119.604 118.700 0.089 0.000 2.573 895 N HA -0.004 4.736 4.740 -0.000 0.000 0.187 895 N C 0.094 175.635 175.510 0.052 0.000 1.107 895 N CA 1.023 54.106 53.050 0.055 0.000 0.918 895 N CB -0.055 38.451 38.487 0.032 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.286 113.472 115.700 0.096 0.000 2.587 896 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 896 S C -1.171 173.490 174.600 0.101 0.000 1.154 896 S CA -1.070 57.153 58.200 0.038 0.000 0.824 896 S CB 1.475 64.634 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.405 124.214 122.820 -0.018 0.000 2.304 897 A HA 0.774 5.094 4.320 -0.000 0.000 0.301 897 A C -0.296 177.231 177.584 -0.095 0.000 1.132 897 A CA -0.447 51.636 52.037 0.077 0.000 0.819 897 A CB 0.270 19.287 19.000 0.027 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.277 119.026 119.070 0.389 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.258 175.375 175.328 0.509 0.000 1.174 898 H CA -0.217 56.070 56.048 0.399 0.000 1.144 898 H CB 2.225 32.205 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.873 124.962 122.820 0.449 0.000 2.306 899 A HA 0.572 4.892 4.320 -0.000 0.000 0.330 899 A C -0.994 176.727 177.584 0.229 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.024 20.135 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.191 122.496 121.223 0.137 0.000 2.408 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 900 L C -1.608 175.225 176.870 -0.062 0.000 0.986 900 L CA -0.194 54.557 54.840 -0.149 0.000 0.820 900 L CB 2.187 44.036 42.059 -0.349 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.360 126.672 120.400 -0.148 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.869 175.330 176.300 -0.167 0.000 1.082 901 D CA -0.208 53.736 54.000 -0.093 0.000 0.839 901 D CB 2.323 43.091 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.984 120.495 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 -0.000 0.000 0.308 902 M C -0.840 175.326 176.300 -0.224 0.000 1.127 902 M CA -0.568 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.661 35.104 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.769 117.113 114.554 -0.349 0.000 2.906 903 T HA 0.584 4.934 4.350 -0.000 0.000 0.302 903 T C -1.025 173.473 174.700 -0.337 0.000 1.002 903 T CA -0.389 61.580 62.100 -0.219 0.000 0.988 903 T CB 0.477 69.267 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.710 121.581 119.950 -0.132 0.000 2.422 904 F HA 0.494 5.021 4.527 -0.000 0.000 0.333 904 F C 0.915 176.676 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.361 40.322 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.664 122.943 120.200 0.131 0.000 2.185 905 E HA 0.552 4.902 4.350 -0.000 0.000 0.261 905 E C -1.364 175.253 176.600 0.029 0.000 0.879 905 E CA -0.621 55.809 56.400 0.050 0.000 0.756 905 E CB 1.832 31.538 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.516 120.400 119.914 -0.050 0.000 3.074 906 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 906 V C -0.339 175.690 176.094 -0.108 0.000 1.117 906 V CA -1.060 61.144 62.300 -0.159 0.000 1.014 906 V CB 1.989 33.607 31.823 -0.342 0.000 1.057 906 V HN 0.454 nan 8.190 nan 0.000 0.438 907 D N 2.618 122.945 120.400 -0.122 0.000 2.372 907 D HA 0.394 5.034 4.640 -0.000 0.000 0.243 907 D C -2.511 173.747 176.300 -0.070 0.000 1.121 907 D CA -0.822 53.138 54.000 -0.067 0.000 0.898 907 D CB 1.158 41.931 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.231 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 -0.190 62.894 63.100 -0.026 0.000 0.789 908 P CB 0.730 32.425 31.700 -0.007 0.000 0.933 909 M N 1.929 121.518 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.246 176.550 176.300 0.007 0.000 1.091 909 M CA -0.652 54.648 55.300 -0.001 0.000 0.919 909 M CB 2.068 34.660 32.600 -0.014 0.000 1.662 909 M HN 0.246 nan 8.290 nan 0.000 0.440 910 D N 0.665 121.079 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.222 176.087 176.300 0.015 0.000 1.187 910 D CA 0.262 54.275 54.000 0.022 0.000 0.900 910 D CB -0.118 40.702 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.454 118.751 120.200 0.009 0.000 2.390 911 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 911 E C -3.180 173.417 176.600 -0.005 0.000 0.939 911 E CA -2.557 53.845 56.400 0.004 0.000 0.769 911 E CB 1.525 31.231 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.045 nan 4.420 nan 0.000 0.267 912 P C -0.438 176.853 177.300 -0.015 0.000 1.205 912 P CA 0.283 63.375 63.100 -0.013 0.000 0.765 912 P CB 0.766 32.456 31.700 -0.017 0.000 0.828 913 T N 0.747 115.291 114.554 -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 -0.887 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.908 69.752 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.639 121.865 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 914 L C -1.312 175.606 176.870 0.081 0.000 0.984 914 L CA -1.243 53.620 54.840 0.038 0.000 0.819 914 L CB 2.261 44.334 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.853 124.144 121.223 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 0.564 42.586 42.059 -0.062 0.000 1.197 915 L HN 0.432 nan 8.230 nan 0.000 0.427 916 Y N 6.059 126.431 120.300 0.121 0.000 2.404 916 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 916 Y C -1.057 174.923 175.900 0.132 0.000 0.970 916 Y CA -1.287 56.896 58.100 0.139 0.000 1.180 916 Y CB 0.869 39.415 38.460 0.143 0.000 1.138 916 Y HN 0.358 nan 8.280 nan 0.000 0.510 917 V N 7.668 127.784 119.914 0.337 0.000 2.417 917 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 917 V C -0.248 175.859 176.094 0.023 0.000 1.024 917 V CA -1.004 61.351 62.300 0.091 0.000 0.861 917 V CB 1.625 33.529 31.823 0.135 0.000 0.985 917 V HN 0.576 nan 8.190 nan 0.000 0.436 918 L N 4.932 126.042 121.223 -0.189 0.000 2.265 918 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 918 L C -0.894 175.879 176.870 -0.162 0.000 1.033 918 L CA -0.089 54.670 54.840 -0.135 0.000 0.814 918 L CB 1.115 43.035 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.839 121.756 119.950 -0.055 0.000 2.335 919 F HA 0.223 4.750 4.527 -0.000 0.000 0.365 919 F C 0.974 176.694 175.800 -0.133 0.000 1.122 919 F CA -0.598 57.361 58.000 -0.068 0.000 1.151 919 F CB 0.675 39.462 39.000 -0.354 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.587 123.718 120.200 -0.115 0.000 2.351 920 E HA 0.343 4.693 4.350 -0.000 0.000 0.266 920 E C -0.052 176.418 176.600 -0.217 0.000 1.031 920 E CA -0.215 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.886 30.351 29.700 -0.392 0.000 0.986 920 E HN 0.485 nan 8.360 nan 0.000 0.446 921 V N -0.081 119.717 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.343 174.565 176.094 -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 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.203 121.148 119.950 -0.008 0.000 2.411 922 F HA 0.695 5.222 4.527 0.000 0.000 0.352 922 F C -0.063 175.729 175.800 -0.013 0.000 1.123 922 F CA -0.182 57.801 58.000 -0.029 0.000 1.044 922 F CB 1.291 40.287 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.978 124.401 120.400 0.038 0.000 2.438 923 D HA 0.473 5.113 4.640 -0.000 0.000 0.257 923 D C -1.083 175.212 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.109 41.788 40.800 -0.202 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.194 122.232 119.914 0.207 0.000 3.001 924 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 924 V C -0.103 176.155 176.094 0.272 0.000 1.099 924 V CA -0.851 61.607 62.300 0.264 0.000 0.989 924 V CB 2.359 34.287 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 0.188 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.518 175.551 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.388 62.300 -0.107 0.000 0.930 925 V CB 2.112 33.691 31.823 -0.408 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.971 122.421 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.751 174.541 176.300 -0.014 0.000 0.955 926 R CA -0.367 55.708 56.100 -0.041 0.000 0.853 926 R CB 1.998 32.280 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.678 124.609 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.048 176.215 176.094 0.122 0.000 1.031 927 V CA -0.618 61.727 62.300 0.075 0.000 0.881 927 V CB 1.217 33.105 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.515 124.593 119.070 0.014 0.000 2.466 928 H HA 0.553 5.109 4.556 -0.000 0.000 0.338 928 H C -0.426 174.917 175.328 0.024 0.000 1.091 928 H CA -0.829 55.224 56.048 0.010 0.000 1.207 928 H CB 1.371 31.138 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.890 126.169 120.500 -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 54.255 56.100 -0.252 0.000 1.612 929 R CB 0.485 30.739 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 -0.521 176.343 177.300 -0.727 0.000 1.153 930 P CA 1.505 64.199 63.100 -0.677 0.000 0.858 930 P CB 0.268 31.657 31.700 -0.520 0.000 0.789 931 H N -3.852 115.181 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.007 175.315 175.328 -0.010 0.000 1.238 931 H CA -1.117 54.917 56.048 -0.024 0.000 1.124 931 H CB 0.865 30.620 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.023 121.606 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 932 R C 0.310 176.611 176.300 0.000 0.000 0.953 932 R CA 1.410 57.543 56.100 0.054 0.000 1.098 932 R CB -0.516 29.802 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.603 111.353 108.800 -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 -0.387 174.470 174.900 -0.073 0.000 1.047 933 G CA 0.274 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 1.117 121.079 119.914 0.080 0.000 2.488 934 V HA 0.565 4.685 4.120 -0.000 0.000 0.293 934 V C 0.169 176.355 176.094 0.152 0.000 1.027 934 V CA -0.763 61.609 62.300 0.120 0.000 0.862 934 V CB 1.645 33.543 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.206 123.884 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.912 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.680 39.778 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.558 124.843 120.200 0.143 0.000 2.183 936 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 936 E C -0.600 176.089 176.600 0.147 0.000 0.919 936 E CA -0.750 55.746 56.400 0.160 0.000 0.781 936 E CB 2.448 32.264 29.700 0.193 0.000 1.140 936 E HN 0.711 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 -0.557 174.207 174.700 0.107 0.000 1.034 937 T CA -0.824 61.331 62.100 0.092 0.000 1.010 937 T CB 1.331 70.250 68.868 0.084 0.000 1.068 937 T HN 0.139 nan 8.240 nan 0.000 0.481 938 V N 2.680 122.604 119.914 0.017 0.000 2.380 938 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 938 V C -1.388 174.729 176.094 0.039 0.000 1.015 938 V CA -0.905 61.437 62.300 0.071 0.000 0.834 938 V CB 0.420 32.269 31.823 0.044 0.000 1.009 938 V HN 0.887 nan 8.190 nan 0.000 0.428 939 Y N 4.940 125.309 120.300 0.116 0.000 2.334 939 Y HA 0.745 5.295 4.550 -0.000 0.000 0.328 939 Y C -0.106 175.872 175.900 0.130 0.000 1.130 939 Y CA -0.820 57.371 58.100 0.152 0.000 1.163 939 Y CB 1.761 40.327 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.481 125.879 121.223 0.293 0.000 2.516 940 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 940 L C -1.384 175.615 176.870 0.215 0.000 0.957 940 L CA -0.802 54.160 54.840 0.203 0.000 0.860 940 L CB 1.562 43.696 42.059 0.125 0.000 1.265 940 L HN 0.649 nan 8.230 nan 0.000 0.403 941 R N 3.583 124.199 120.500 0.193 0.000 2.371 941 R HA 0.730 5.070 4.340 -0.000 0.000 0.312 941 R C -1.493 174.909 176.300 0.171 0.000 0.980 941 R CA -0.032 56.183 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 2.261 116.933 114.554 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 60.325 62.100 0.188 0.000 0.996 942 T CB 2.324 71.262 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 -0.234 177.207 177.300 0.235 0.000 1.307 943 P CA -0.584 62.605 63.100 0.148 0.000 0.738 943 P CB -0.129 31.569 31.700 -0.002 0.000 1.422 944 F N -3.039 116.801 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.196 175.958 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.781 36.131 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.068 115.787 115.700 0.031 0.000 2.562 945 S HA 0.643 5.113 4.470 -0.000 0.000 0.281 945 S C 0.745 175.379 174.600 0.057 0.000 1.333 945 S CA -0.331 57.903 58.200 0.056 0.000 1.052 945 S CB 1.402 64.615 63.200 0.020 0.000 0.884 945 S HN 0.725 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