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_O 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 -1.304 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 -0.736 0.000 5.905 6 M HA -0.276 4.204 4.480 -0.000 0.000 0.326 6 M C -0.286 175.923 176.300 -0.151 0.000 0.705 6 M CA 2.896 58.019 55.300 -0.296 0.000 0.949 6 M CB -2.938 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 -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.450 178.760 177.300 0.018 0.000 1.151 7 P CA 2.444 65.513 63.100 -0.052 0.000 0.953 7 P CB -0.476 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.184 117.618 119.800 0.003 0.000 2.096 8 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.471 176.000 0.276 0.000 0.982 8 Q CA 1.534 57.412 55.803 0.126 0.000 0.850 8 Q CB -0.662 28.153 28.738 0.128 0.000 0.901 8 Q HN 0.338 nan 8.270 nan 0.000 0.422 9 W N 1.253 122.562 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.634 179.142 176.519 -0.017 0.000 1.215 9 W CA 1.342 58.692 57.345 0.008 0.000 1.278 9 W CB -1.250 28.221 29.460 0.018 0.000 1.154 9 W HN 0.126 nan 8.180 nan 0.000 0.486 10 S N -1.042 114.787 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 10 S C 1.667 176.172 174.600 -0.158 0.000 1.029 10 S CA 1.305 59.547 58.200 0.069 0.000 0.988 10 S CB -1.305 61.944 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.131 122.316 120.300 -0.192 0.000 2.128 11 Y HA -0.069 4.481 4.550 -0.000 0.000 0.284 11 Y C 2.114 177.739 175.900 -0.459 0.000 1.154 11 Y CA 1.432 59.353 58.100 -0.298 0.000 1.149 11 Y CB -0.240 38.135 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.731 118.768 119.600 -0.169 0.000 2.618 12 M HA -0.016 4.464 4.480 -0.000 0.000 0.240 12 M C 0.069 176.282 176.300 -0.145 0.000 1.123 12 M CA 0.883 56.093 55.300 -0.150 0.000 1.060 12 M CB -1.118 31.512 32.600 0.050 0.000 1.535 12 M HN 0.421 nan 8.290 nan 0.000 0.507 13 H N -1.967 117.067 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.336 176.661 175.328 -0.005 0.000 1.187 13 H CA 0.826 56.843 56.048 -0.052 0.000 1.136 13 H CB -2.256 27.453 29.762 -0.089 0.000 1.243 13 H HN 0.367 nan 8.280 nan 0.000 0.328 14 I N 0.457 121.056 120.570 0.050 0.000 2.493 14 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 14 I C 1.459 177.539 176.117 -0.063 0.000 1.160 14 I CA 1.513 62.772 61.300 -0.068 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 -1.480 114.261 115.700 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 1.516 64.840 63.200 0.207 0.000 1.162 15 S HN 0.485 nan 8.310 nan 0.000 0.487 16 G N 0.716 109.619 108.800 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 -0.957 174.055 174.900 0.188 0.000 1.237 16 G CA -0.166 45.041 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 -0.602 175.566 176.000 0.281 0.000 1.006 17 Q CA -0.425 55.521 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 -0.358 120.091 120.400 0.081 0.000 2.283 18 D HA 0.192 4.832 4.640 -0.000 0.000 0.248 18 D C 0.595 176.612 176.300 -0.472 0.000 1.072 18 D CA -0.043 53.912 54.000 -0.076 0.000 0.929 18 D CB 1.394 42.145 40.800 -0.082 0.000 1.182 18 D HN 0.648 nan 8.370 nan 0.000 0.433 19 A N 1.442 123.828 122.820 -0.723 0.000 1.958 19 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 19 A C 2.027 179.128 177.584 -0.806 0.000 1.178 19 A CA 2.610 53.901 52.037 -1.243 0.000 0.642 19 A CB -0.771 17.852 19.000 -0.629 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.086 115.352 115.700 -0.435 0.000 2.419 20 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 20 S C 1.463 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.499 59.533 58.200 -0.277 0.000 0.974 20 S CB -0.361 62.737 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.338 120.404 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.862 178.438 176.600 -0.039 0.000 0.964 21 E CA 0.704 57.046 56.400 -0.096 0.000 0.868 21 E CB -0.301 29.385 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.889 121.161 120.300 -0.046 0.000 2.365 22 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 22 Y C 0.812 176.674 175.900 -0.062 0.000 1.119 22 Y CA -0.157 57.929 58.100 -0.025 0.000 1.203 22 Y CB -0.510 37.975 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.851 122.969 121.223 -0.176 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.009 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.286 54.464 54.840 -0.150 0.000 0.817 23 L CB 0.453 42.258 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.820 116.475 115.700 -0.075 0.000 2.585 24 S HA 0.177 4.647 4.470 -0.000 0.000 0.273 24 S C -1.797 172.764 174.600 -0.064 0.000 1.339 24 S CA -1.071 57.101 58.200 -0.046 0.000 1.028 24 S CB 1.028 64.213 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 1.702 178.991 177.300 -0.018 0.000 1.150 25 P CA 1.585 64.665 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 0.328 109.124 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G C 1.481 176.408 174.900 0.044 0.000 1.158 26 G CA 0.642 45.755 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 56.236 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 -0.375 3.745 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 2.382 64.635 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 -0.864 118.946 119.800 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 0.058 0.000 0.986 29 Q CA 2.355 58.175 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 1.369 121.300 119.950 -0.033 0.000 2.095 30 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 30 F C 2.590 178.373 175.800 -0.028 0.000 1.104 30 F CA 1.708 59.698 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 0.593 123.585 122.820 0.287 0.000 1.892 31 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 31 A C 2.424 180.003 177.584 -0.009 0.000 1.188 31 A CA 2.999 55.133 52.037 0.162 0.000 0.631 31 A CB -1.558 17.494 19.000 0.086 0.000 0.822 31 A HN 0.479 nan 8.150 nan 0.000 0.447 32 R N -0.820 119.659 120.500 -0.034 0.000 2.096 32 R HA 0.164 4.503 4.340 -0.000 0.000 0.235 32 R C 2.486 178.718 176.300 -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 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.663 123.388 122.820 -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 -3.342 110.911 114.554 -0.502 0.000 3.067 34 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 34 T C 1.708 176.011 174.700 -0.663 0.000 1.105 34 T CA 1.488 63.080 62.100 -0.847 0.000 1.104 34 T CB -0.350 68.130 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 2.917 59.207 56.400 -0.182 0.000 0.930 35 E CB -2.265 27.369 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.331 112.145 114.554 -0.130 0.000 3.007 36 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 36 T C 1.811 176.561 174.700 0.083 0.000 1.107 36 T CA 1.627 63.723 62.100 -0.007 0.000 1.118 36 T CB -0.475 68.429 68.868 0.059 0.000 0.889 36 T HN 0.916 nan 8.240 nan 0.000 0.506 37 Y N -1.650 118.681 120.300 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 -2.072 56.084 58.100 0.095 0.000 1.258 37 Y CB 0.643 39.144 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.039 121.895 119.950 -0.156 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.855 174.905 175.800 -0.067 0.000 1.271 38 F CA -1.396 56.579 58.000 -0.042 0.000 1.224 38 F CB 0.936 39.967 39.000 0.052 0.000 1.624 38 F HN -0.007 nan 8.300 nan 0.000 0.658 39 S N 5.861 121.335 115.700 -0.376 0.000 2.525 39 S HA 0.591 5.061 4.470 -0.000 0.000 0.278 39 S C 0.143 174.590 174.600 -0.255 0.000 1.234 39 S CA -0.537 57.517 58.200 -0.243 0.000 1.058 39 S CB 1.255 64.370 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.959 124.163 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 40 L C 2.713 179.679 176.870 0.159 0.000 1.136 40 L CA 0.411 55.312 54.840 0.101 0.000 0.933 40 L CB -1.172 41.086 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.724 120.468 118.700 0.074 0.000 2.094 41 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 41 N C 1.481 177.015 175.510 0.040 0.000 1.023 41 N CA 1.918 55.016 53.050 0.080 0.000 0.857 41 N CB -0.917 37.577 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.501 119.173 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 -0.000 0.000 0.195 42 N C 0.376 175.792 175.510 -0.157 0.000 1.213 42 N CA 0.582 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 0.706 nan 8.380 nan 0.000 0.454 43 K N -0.506 119.720 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.827 175.255 176.600 -0.863 0.000 1.030 43 K CA -0.233 55.706 56.287 -0.581 0.000 1.099 43 K CB 0.213 32.303 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.993 122.938 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 44 F C 0.086 175.890 175.800 0.006 0.000 1.148 44 F CA -1.261 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 1.577 122.180 120.500 0.172 0.000 2.539 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.275 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 1.097 45 R CB 0.605 30.955 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.538 122.283 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.441 173.105 175.510 0.060 0.000 0.998 46 N CA -1.450 51.636 53.050 0.061 0.000 0.915 46 N CB 1.821 40.314 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 63.026 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 -1.368 113.188 114.554 0.005 0.000 2.906 48 T HA 0.495 4.845 4.350 -0.000 0.000 0.302 48 T C -0.582 174.107 174.700 -0.018 0.000 1.002 48 T CA -0.684 61.414 62.100 -0.003 0.000 0.988 48 T CB 0.304 69.166 68.868 -0.009 0.000 0.972 48 T HN 0.108 nan 8.240 nan 0.000 0.447 49 V N 2.841 122.752 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.852 176.943 176.094 -0.004 0.000 1.020 49 V CA -1.043 61.252 62.300 -0.009 0.000 0.850 49 V CB 1.119 32.953 31.823 0.018 0.000 0.987 49 V HN 1.231 nan 8.190 nan 0.000 0.436 50 A N 7.109 129.922 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.011 175.569 177.584 -0.007 0.000 1.082 50 A CA -0.936 51.098 52.037 -0.005 0.000 0.789 50 A CB -0.290 18.707 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 63.113 63.100 -0.075 0.000 0.786 51 P CB 0.727 32.362 31.700 -0.107 0.000 0.927 52 T N -2.572 111.934 114.554 -0.082 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 62.177 62.100 0.028 0.000 0.962 52 T CB -0.657 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 -1.912 117.189 119.070 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 55.272 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 0.433 120.956 120.400 0.205 0.000 2.870 54 D HA -0.148 4.492 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 -1.411 39.511 40.800 0.203 0.000 1.091 54 D HN 0.372 nan 8.370 nan 0.000 0.429 55 V N -1.315 118.674 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.095 177.344 176.094 0.259 0.000 1.296 55 V CA 1.216 63.627 62.300 0.183 0.000 1.306 55 V CB 1.040 32.952 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.016 115.655 114.554 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 1.811 70.667 68.868 -0.020 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.067 115.623 114.554 0.004 0.000 2.882 57 T HA 0.269 4.619 4.350 -0.000 0.000 0.287 57 T C 0.322 174.978 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.746 69.532 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 -0.102 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 0.166 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.388 41.159 40.800 -0.050 0.000 0.992 58 D HN 0.365 nan 8.370 nan 0.000 0.504 59 R N 0.329 120.750 120.500 -0.131 0.000 2.637 59 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 59 R C 0.462 176.730 176.300 -0.054 0.000 1.089 59 R CA -0.193 55.843 56.100 -0.107 0.000 1.177 59 R CB 0.468 30.662 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.853 116.539 115.700 -0.024 0.000 2.533 60 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 60 S C -0.636 173.966 174.600 0.004 0.000 1.304 60 S CA 0.030 58.224 58.200 -0.009 0.000 1.063 60 S CB 0.121 63.318 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 -0.002 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 0.781 29.539 28.738 0.034 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.018 123.499 120.500 -0.032 0.000 2.539 62 R HA 0.251 4.591 4.340 -0.000 0.000 0.275 62 R C 0.729 177.046 176.300 0.027 0.000 1.077 62 R CA 0.117 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 0.443 121.708 121.223 0.070 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.674 177.684 176.870 0.233 0.000 1.083 63 L CA 1.041 55.961 54.840 0.133 0.000 0.790 63 L CB 0.041 42.154 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.407 116.071 114.554 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 2.177 71.186 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.089 124.388 121.223 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 2.025 43.937 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.392 121.488 120.500 -0.673 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.980 173.863 176.300 -0.761 0.000 0.969 66 R CA -0.489 55.101 56.100 -0.850 0.000 0.879 66 R CB 1.448 31.121 30.300 -1.044 0.000 1.178 66 R HN 0.299 nan 8.270 nan 0.000 0.445 67 F N 3.509 123.323 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.159 176.058 175.800 0.164 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.446 40.501 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.032 124.821 120.570 0.365 0.000 2.488 68 I HA 0.334 4.503 4.170 -0.000 0.000 0.299 68 I C -2.169 174.132 176.117 0.305 0.000 0.984 68 I CA -3.556 57.923 61.300 0.298 0.000 1.250 68 I CB 0.798 38.879 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.111 nan 4.420 nan 0.000 0.271 69 P C 0.849 178.054 177.300 -0.159 0.000 1.216 69 P CA -0.033 62.839 63.100 -0.380 0.000 0.771 69 P CB 1.160 32.548 31.700 -0.520 0.000 0.864 70 V N 1.502 121.315 119.914 -0.169 0.000 2.649 70 V HA -0.039 4.081 4.120 -0.000 0.000 0.248 70 V C 0.548 176.584 176.094 -0.095 0.000 1.054 70 V CA 1.795 64.052 62.300 -0.072 0.000 1.073 70 V CB -0.515 31.294 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 -0.156 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 1.402 42.134 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.012 122.410 120.500 -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 1.814 121.762 120.200 -0.420 0.000 2.502 73 E HA 0.144 4.494 4.350 -0.000 0.000 0.261 73 E C -1.661 174.607 176.600 -0.553 0.000 0.974 73 E CA -0.872 55.296 56.400 -0.386 0.000 0.795 73 E CB 1.831 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 -0.447 175.735 176.300 -0.197 0.000 1.255 74 D CA 0.484 54.231 54.000 -0.421 0.000 0.894 74 D CB 0.932 41.614 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 75 T N 1.513 115.971 114.554 -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 -0.149 0.000 0.995 75 T CA -0.031 61.960 62.100 -0.181 0.000 0.966 75 T CB 1.410 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 0.350 123.038 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.448 178.996 177.584 -0.060 0.000 1.193 76 A CA 2.165 54.116 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.762 118.540 120.300 0.003 0.000 2.675 77 Y HA 0.536 5.086 4.550 -0.000 0.000 0.248 77 Y C 0.281 176.330 175.900 0.248 0.000 1.161 77 Y CA -0.446 57.706 58.100 0.086 0.000 1.203 77 Y CB -0.470 37.994 38.460 0.007 0.000 1.262 77 Y HN 0.350 nan 8.280 nan 0.000 0.544 78 S N -0.952 114.785 115.700 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 0.267 0.000 1.168 78 S CA -0.722 57.645 58.200 0.280 0.000 0.817 78 S CB 2.283 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 0.383 120.825 120.300 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 1.886 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.938 124.362 120.400 0.039 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.626 174.992 176.600 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 -1.214 176.242 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.083 20.097 19.000 0.023 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.286 122.532 120.500 -0.424 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.784 174.239 176.300 -0.462 0.000 0.955 82 R CA -0.312 55.620 56.100 -0.279 0.000 0.851 82 R CB 0.810 31.034 30.300 -0.126 0.000 1.161 82 R HN 0.594 nan 8.270 nan 0.000 0.446 83 F N 0.234 120.255 119.950 0.120 0.000 2.611 83 F HA 0.401 4.928 4.527 -0.000 0.000 0.324 83 F C 0.251 176.112 175.800 0.102 0.000 1.061 83 F CA -0.927 57.150 58.000 0.128 0.000 0.954 83 F CB 2.408 41.507 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.234 117.950 114.554 0.271 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.711 173.957 174.700 -0.053 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.027 68.919 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.154 125.314 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.108 176.919 176.870 -0.099 0.000 1.124 85 L CA -0.301 54.288 54.840 -0.420 0.000 0.888 85 L CB -0.796 41.139 42.059 -0.208 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.516 128.272 122.820 -0.106 0.000 2.287 86 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 86 A C -0.795 176.975 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.179 0.000 0.835 86 A CB 1.034 20.158 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.559 123.659 119.914 0.310 0.000 2.294 87 V HA 0.475 4.595 4.120 -0.000 0.000 0.272 87 V C 1.170 177.372 176.094 0.181 0.000 1.027 87 V CA -0.150 62.356 62.300 0.343 0.000 0.823 87 V CB 0.735 32.799 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.220 112.068 108.800 0.081 0.000 2.636 88 G HA2 0.142 4.102 3.960 -0.000 0.000 0.246 88 G HA3 0.142 4.102 3.960 -0.000 0.000 0.246 88 G C -0.149 174.749 174.900 -0.002 0.000 1.216 88 G CA -0.448 44.656 45.100 0.006 0.000 0.854 88 G HN 0.643 nan 8.290 nan 0.000 0.572 89 D N 0.690 121.071 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 89 D C 0.442 176.654 176.300 -0.147 0.000 1.136 89 D CA 0.494 54.462 54.000 -0.054 0.000 0.879 89 D CB 0.511 41.282 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.474 120.093 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.571 174.843 175.510 -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 37.482 38.487 -0.680 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.456 120.036 120.500 -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 2.494 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 -0.464 119.609 119.914 0.265 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.353 174.846 176.094 0.176 0.000 1.090 92 V CA -1.049 61.363 62.300 0.186 0.000 0.930 92 V CB 1.956 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 2.594 123.825 121.223 0.014 0.000 2.381 93 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 93 L C -0.712 176.041 176.870 -0.195 0.000 0.988 93 L CA 0.054 54.753 54.840 -0.234 0.000 0.824 93 L CB 1.674 43.498 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.497 125.788 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 94 D C 1.223 177.423 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.027 41.792 40.800 -0.057 0.000 1.045 94 D HN 0.583 nan 8.370 nan 0.000 0.495 95 M N 2.831 122.312 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 95 M C 1.919 178.116 176.300 -0.172 0.000 1.071 95 M CA 0.932 56.090 55.300 -0.237 0.000 1.082 95 M CB -1.205 31.223 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 2.185 179.774 177.584 0.008 0.000 1.160 96 A CA 1.880 53.882 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 -0.002 0.000 2.634 97 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 97 S C 0.652 175.315 174.600 0.105 0.000 0.952 97 S CA 0.410 58.659 58.200 0.081 0.000 0.930 97 S CB -1.010 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 -0.312 114.252 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 -0.000 0.000 0.286 98 T C -0.747 173.984 174.700 0.051 0.000 1.025 98 T CA -0.815 61.249 62.100 -0.061 0.000 1.039 98 T CB 1.222 69.948 68.868 -0.237 0.000 1.068 98 T HN 0.702 nan 8.240 nan 0.000 0.497 99 Y N -1.456 118.755 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.231 173.554 175.900 -0.192 0.000 1.173 99 Y CA -2.365 55.642 58.100 -0.155 0.000 1.076 99 Y CB 0.523 39.113 38.460 0.216 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 0.341 4.868 4.527 -0.000 0.000 0.358 100 F C 0.117 176.032 175.800 0.191 0.000 1.120 100 F CA -0.483 57.582 58.000 0.108 0.000 1.144 100 F CB 0.919 39.971 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.378 125.013 120.400 0.391 0.000 2.316 101 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 101 D C -0.629 175.807 176.300 0.226 0.000 1.171 101 D CA 0.119 54.346 54.000 0.378 0.000 0.856 101 D CB 0.498 41.609 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.702 124.366 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 102 I C 0.058 176.215 176.117 0.066 0.000 1.020 102 I CA -0.917 60.395 61.300 0.021 0.000 1.088 102 I CB 1.848 39.767 38.000 -0.134 0.000 1.267 102 I HN 0.153 nan 8.210 nan 0.000 0.430 103 R N 3.703 124.133 120.500 -0.116 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.386 175.650 176.300 -0.441 0.000 0.969 103 R CA -0.797 55.121 56.100 -0.305 0.000 0.887 103 R CB 2.426 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 0.652 108.892 108.800 -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 -0.854 0.000 1.292 104 G CA -0.442 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 0.156 119.883 119.914 -0.311 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.724 175.533 176.094 0.271 0.000 1.052 105 V CA -0.687 61.606 62.300 -0.010 0.000 0.908 105 V CB 1.579 33.391 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.826 124.241 121.223 0.320 0.000 2.436 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.268 106 L C -1.370 175.552 176.870 0.087 0.000 0.974 106 L CA -0.089 54.867 54.840 0.194 0.000 0.826 106 L CB 2.187 44.315 42.059 0.115 0.000 1.291 106 L HN 0.678 nan 8.230 nan 0.000 0.406 107 D N 2.979 123.397 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.587 176.816 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.506 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 2.158 122.513 120.500 -0.242 0.000 2.328 108 R HA 0.266 4.606 4.340 -0.000 0.000 0.207 108 R C 1.353 177.544 176.300 -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 0.077 108.784 108.800 -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 -2.100 172.726 174.900 -0.124 0.000 1.359 109 G CA -0.446 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 0.027 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 2.238 65.254 63.100 -0.140 0.000 0.779 110 P CB -0.067 31.577 31.700 -0.094 0.000 0.844 111 T N -4.278 110.089 114.554 -0.312 0.000 3.148 111 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 111 T C 0.299 174.643 174.700 -0.595 0.000 1.134 111 T CA -0.483 61.214 62.100 -0.671 0.000 1.051 111 T CB -1.123 67.344 68.868 -0.669 0.000 0.959 111 T HN -0.122 nan 8.240 nan 0.000 0.525 112 F N 2.591 122.275 119.950 -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 39.411 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.058 128.810 120.400 -1.081 0.000 2.803 113 K HA 0.312 4.632 4.320 -0.000 0.000 0.229 113 K C -2.625 173.210 176.600 -1.275 0.000 1.084 113 K CA -1.748 53.847 56.287 -1.153 0.000 1.063 113 K CB 1.321 33.323 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.012 nan 4.420 nan 0.000 0.286 114 P C -1.299 175.758 177.300 -0.404 0.000 1.577 114 P CA 0.385 62.947 63.100 -0.897 0.000 0.805 114 P CB -0.802 30.740 31.700 -0.263 0.000 1.706 115 Y N -5.470 114.501 120.300 -0.548 0.000 2.810 115 Y HA 0.562 5.112 4.550 -0.000 0.000 0.355 115 Y C -1.068 174.704 175.900 -0.214 0.000 1.211 115 Y CA -1.374 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 0.899 116.676 115.700 0.129 0.000 2.608 116 S HA 0.789 5.259 4.470 -0.000 0.000 0.291 116 S C 0.328 175.041 174.600 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 1.944 110.818 108.800 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 -0.453 174.553 174.900 0.177 0.000 1.341 117 G CA -0.293 44.909 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.833 113.750 114.554 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 -0.210 122.356 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.508 176.564 177.584 -0.854 0.000 1.214 119 A CA 0.126 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.090 18.278 19.000 -1.054 0.000 0.942 119 A HN 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.328 120.545 120.300 -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 -1.805 56.239 58.100 -0.093 0.000 1.130 120 Y CB 0.721 39.168 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.957 119.705 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.906 176.452 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.075 0.000 0.726 121 N CB -0.710 37.845 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.245 122.588 122.820 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 1.046 53.156 52.037 0.122 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 -0.790 120.532 121.223 0.165 0.000 2.492 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 123 L C 1.414 178.373 176.870 0.147 0.000 1.132 123 L CA 0.032 54.954 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 1.148 124.087 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.541 177.584 0.140 0.000 1.089 124 A CA -1.147 50.995 52.037 0.176 0.000 0.779 124 A CB -0.461 18.657 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 0.266 177.540 177.300 -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 32.110 31.700 0.009 0.000 0.823 126 K N 1.796 122.085 120.400 -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 1.557 57.687 56.287 -0.262 0.000 0.937 126 K CB -0.414 31.830 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.387 109.156 108.800 -0.050 0.000 2.944 127 G HA2 0.222 4.182 3.960 -0.000 0.000 0.223 127 G HA3 0.222 4.182 3.960 -0.000 0.000 0.223 127 G C 0.197 175.100 174.900 0.005 0.000 1.071 127 G CA -0.021 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.259 nan 8.290 nan 0.000 0.538 128 A N 1.515 124.353 122.820 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 -0.431 51.645 52.037 0.066 0.000 0.763 128 A CB 0.330 19.384 19.000 0.090 0.000 1.001 128 A HN 0.209 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.799 176.593 177.300 0.153 0.000 1.290 129 P CA -1.029 62.127 63.100 0.094 0.000 0.889 129 P CB 0.974 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 -1.186 51.941 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 -0.179 177.227 177.300 0.176 0.000 1.203 131 P CA -0.116 63.079 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 1.960 121.421 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.544 174.653 174.990 0.345 0.000 1.486 132 C CA -0.861 58.316 59.018 0.266 0.000 1.556 132 C CB 1.647 29.538 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.702 119.705 120.200 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 2.313 32.099 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 -1.339 175.249 176.519 0.116 0.000 1.233 134 W CA -0.640 56.752 57.345 0.079 0.000 1.176 134 W CB 0.489 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 0.852 5.408 4.556 -0.000 0.000 0.342 166 H C -0.178 174.776 175.328 -0.622 0.000 1.170 166 H CA -0.754 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.185 30.120 29.762 -1.379 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.066 121.834 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.411 174.759 176.094 0.127 0.000 1.073 167 V CA -0.753 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.976 33.724 31.823 -0.124 0.000 1.009 167 V HN 0.652 nan 8.190 nan 0.000 0.426 168 F N 4.064 124.084 119.950 0.116 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.148 175.994 175.800 0.077 0.000 1.168 168 F CA 0.073 58.165 58.000 0.155 0.000 1.045 168 F CB 1.378 40.569 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.745 112.293 108.800 -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 44.207 45.100 -0.292 0.000 0.795 169 G HN 0.556 nan 8.290 nan 0.000 0.528 170 Q N -1.299 118.391 119.800 -0.183 0.000 2.340 170 Q HA 0.606 4.946 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 4.105 126.899 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.320 171 A C -2.360 175.242 177.584 0.030 0.000 1.281 171 A CA -1.140 50.904 52.037 0.011 0.000 0.775 171 A CB 0.743 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 -0.044 177.296 177.300 0.068 0.000 1.199 172 P CA 0.417 63.546 63.100 0.049 0.000 0.807 172 P CB 0.050 31.781 31.700 0.053 0.000 1.002 173 Y N 1.688 121.992 120.300 0.007 0.000 2.359 173 Y HA 0.377 4.927 4.550 -0.000 0.000 0.334 173 Y C 0.329 176.244 175.900 0.025 0.000 1.058 173 Y CA -0.557 57.550 58.100 0.010 0.000 1.244 173 Y CB 0.670 39.131 38.460 0.001 0.000 1.187 173 Y HN -0.214 nan 8.280 nan 0.000 0.510 174 S N 5.423 120.773 115.700 -0.584 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.118 174.471 174.600 -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 62.778 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 0.294 120.915 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.572 177.505 176.117 -0.307 0.000 1.096 176 I CA 1.528 62.810 61.300 -0.030 0.000 1.408 176 I CB -0.151 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 0.173 118.667 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.127 174.295 175.510 -0.145 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 1.656 122.244 120.570 0.029 0.000 2.354 178 I HA 0.665 4.835 4.170 -0.000 0.000 0.286 178 I C 1.130 177.327 176.117 0.132 0.000 1.007 178 I CA -0.334 61.083 61.300 0.194 0.000 1.167 178 I CB 1.147 39.349 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 0.105 120.430 120.400 -0.124 0.000 2.459 180 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 180 K C 1.505 178.108 176.600 0.004 0.000 1.030 180 K CA 1.278 57.433 56.287 -0.219 0.000 1.026 180 K CB -0.397 31.977 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.789 119.450 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 181 E C 0.776 177.478 176.600 0.171 0.000 1.049 181 E CA 0.143 56.603 56.400 0.100 0.000 0.870 181 E CB 0.276 30.009 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.772 110.735 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G C -0.912 174.132 174.900 0.241 0.000 1.205 182 G CA -0.477 44.780 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.376 122.083 120.570 0.228 0.000 2.359 183 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 183 I C 0.632 176.803 176.117 0.090 0.000 0.987 183 I CA -0.612 60.789 61.300 0.169 0.000 1.225 183 I CB 1.364 39.481 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.281 127.125 119.800 0.074 0.000 2.314 184 Q HA 0.257 4.597 4.340 -0.000 0.000 0.258 184 Q C 0.163 176.206 176.000 0.070 0.000 0.954 184 Q CA -0.099 55.729 55.803 0.042 0.000 0.890 184 Q CB 0.943 29.687 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.186 120.782 120.570 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 -0.364 60.988 61.300 0.087 0.000 1.150 185 I CB 0.886 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.112 120.185 120.300 -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 1.494 124.251 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.042 177.469 177.584 -0.262 0.000 1.089 195 A CA 0.054 51.935 52.037 -0.259 0.000 0.794 195 A CB -0.033 18.720 19.000 -0.412 0.000 1.029 195 A HN 0.891 nan 8.150 nan 0.000 0.488 196 D N 2.434 122.596 120.400 -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 54.359 54.000 -0.326 0.000 0.895 196 D CB 0.856 41.503 40.800 -0.255 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.378 122.648 120.400 -0.217 0.000 2.189 197 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 197 K C 1.856 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.373 58.566 56.287 -0.157 0.000 0.928 197 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 0.458 198 T N -2.072 112.463 114.554 -0.032 0.000 2.849 198 T HA -0.061 4.289 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 1.607 63.751 62.100 0.074 0.000 1.130 198 T CB -0.423 68.532 68.868 0.145 0.000 0.864 198 T HN 1.039 nan 8.240 nan 0.000 0.481 199 F N -0.611 119.267 119.950 -0.120 0.000 2.938 199 F HA 0.515 5.042 4.527 -0.000 0.000 0.370 199 F C 0.078 175.763 175.800 -0.191 0.000 0.981 199 F CA -1.167 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 3.895 123.146 119.800 -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 -2.240 53.044 55.803 -0.864 0.000 0.903 200 Q CB 1.822 29.967 28.738 -0.989 0.000 1.263 200 Q HN -0.002 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.457 62.344 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.200 31.700 -0.421 0.000 1.063 202 E N 1.676 121.805 120.200 -0.117 0.000 2.167 202 E HA 0.150 4.500 4.350 -0.000 0.000 0.284 202 E C -1.604 175.015 176.600 0.031 0.000 1.016 202 E CA -1.766 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 -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.864 178.199 177.300 0.059 0.000 1.146 203 P CA 1.435 64.563 63.100 0.046 0.000 0.813 203 P CB 0.174 31.899 31.700 0.043 0.000 0.778 204 Q N -0.775 119.062 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.955 176.997 176.000 0.070 0.000 0.970 204 Q CA 0.634 56.476 55.803 0.065 0.000 0.865 204 Q CB -0.503 28.273 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.382 122.005 120.570 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 -0.248 61.116 61.300 0.106 0.000 1.350 205 I CB 1.003 39.099 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.425 112.259 108.800 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 -0.899 173.982 174.900 -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 -1.101 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.301 177.861 176.600 -0.067 0.000 1.047 207 E CA 0.436 56.784 56.400 -0.086 0.000 0.874 207 E CB 0.877 30.511 29.700 -0.110 0.000 1.033 207 E HN 1.337 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 1.453 59.617 58.200 -0.060 0.000 0.965 208 S CB -0.365 62.806 63.200 -0.047 0.000 0.812 208 S HN 1.224 nan 8.310 nan 0.000 0.482 209 Q N 0.525 120.199 119.800 -0.209 0.000 2.471 209 Q HA 0.439 4.779 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 55.809 55.803 -0.399 0.000 0.956 209 Q CB -0.567 27.629 28.738 -0.903 0.000 1.249 209 Q HN 1.010 nan 8.270 nan 0.000 0.549 210 W N -0.678 120.424 121.300 -0.329 0.000 3.058 210 W HA 0.230 4.890 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 0.223 57.488 57.345 -0.133 0.000 1.651 210 W CB 0.062 29.508 29.460 -0.023 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.850 120.778 120.300 -0.620 0.000 2.565 211 Y HA 0.696 5.246 4.550 -0.000 0.000 0.325 211 Y C 0.330 176.075 175.900 -0.257 0.000 1.221 211 Y CA -1.830 55.926 58.100 -0.572 0.000 1.316 211 Y CB -0.668 37.169 38.460 -1.040 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 -0.205 29.527 29.700 0.055 0.000 1.039 212 E HN 1.015 nan 8.360 nan 0.000 0.418 213 T N 0.056 114.654 114.554 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 -1.019 119.181 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 -0.000 0.000 0.173 214 E C 0.034 176.619 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.872 56.400 -0.013 0.000 1.205 214 E CB -2.905 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.025 nan 8.360 nan 0.000 0.350 215 I N 2.050 122.600 120.570 -0.033 0.000 2.337 215 I HA 0.568 4.738 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 0.103 61.379 61.300 -0.041 0.000 1.324 215 I CB 0.788 38.766 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.234 120.860 118.700 -0.124 0.000 2.432 216 N HA 0.021 4.761 4.740 -0.000 0.000 0.174 216 N C -0.180 175.009 175.510 -0.536 0.000 1.037 216 N CA 0.801 53.654 53.050 -0.329 0.000 0.892 216 N CB 0.343 38.593 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.261 119.358 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.523 174.864 175.328 0.098 0.000 1.188 217 H CA -0.418 55.678 56.048 0.080 0.000 1.322 217 H CB 0.988 30.803 29.762 0.089 0.000 1.405 217 H HN 0.103 nan 8.280 nan 0.000 0.502 218 A N 2.241 125.150 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.355 177.337 177.584 0.180 0.000 1.158 218 A CA -0.399 51.725 52.037 0.145 0.000 0.821 218 A CB 0.759 19.798 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.678 123.635 122.820 0.228 0.000 2.435 219 A HA 0.932 5.252 4.320 -0.000 0.000 0.304 219 A C 0.036 177.722 177.584 0.169 0.000 1.064 219 A CA -0.003 52.164 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.243 0.000 1.284 219 A HN 2.087 nan 8.150 nan 0.000 0.415 220 G N -0.157 108.734 108.800 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 -1.403 173.580 174.900 0.139 0.000 1.392 220 G CA -0.746 44.414 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.214 119.334 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 -0.000 0.000 0.292 221 R C -1.428 174.908 176.300 0.060 0.000 0.969 221 R CA -0.538 55.610 56.100 0.081 0.000 0.887 221 R CB 2.109 32.434 30.300 0.042 0.000 1.180 221 R HN 0.697 nan 8.270 nan 0.000 0.450 222 V N 5.087 125.041 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 222 V C -1.579 174.555 176.094 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 34.148 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.528 125.797 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 223 L C 0.299 177.221 176.870 0.088 0.000 1.049 223 L CA -0.523 54.361 54.840 0.074 0.000 0.804 223 L CB 1.263 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 2.150 122.594 120.400 0.073 0.000 2.219 224 K HA 0.049 4.369 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 -0.410 55.923 56.287 0.075 0.000 0.928 224 K CB 0.680 33.213 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.152 120.613 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 -0.000 0.000 0.194 225 K C 0.679 177.335 176.600 0.092 0.000 1.037 225 K CA 1.517 57.878 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 -2.121 112.474 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.573 175.300 174.700 0.046 0.000 1.100 226 T CA -0.104 62.027 62.100 0.052 0.000 1.038 226 T CB 0.148 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 4.961 119.546 114.554 0.051 0.000 2.753 227 T HA 0.425 4.775 4.350 -0.000 0.000 0.297 227 T C -2.672 172.056 174.700 0.046 0.000 0.981 227 T CA -1.414 60.711 62.100 0.041 0.000 0.956 227 T CB 1.256 70.146 68.868 0.037 0.000 0.936 227 T HN 0.121 nan 8.240 nan 0.000 0.463 228 P HA 0.024 nan 4.420 nan 0.000 0.264 228 P C -0.279 177.038 177.300 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 2.815 122.427 119.600 0.020 0.000 2.211 229 M HA 0.251 4.731 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 0.473 55.781 55.300 0.013 0.000 1.134 229 M CB 0.428 33.016 32.600 -0.020 0.000 1.564 229 M HN 0.136 nan 8.290 nan 0.000 0.463 230 K N 2.941 123.352 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 -0.000 0.000 0.260 230 K C -2.821 173.805 176.600 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 34.185 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 1.004 178.372 177.300 0.114 0.000 1.209 231 P CA -0.285 62.864 63.100 0.082 0.000 0.776 231 P CB 0.588 32.344 31.700 0.093 0.000 0.876 232 C N 3.118 122.494 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 232 C C 1.449 176.540 174.990 0.167 0.000 1.222 232 C CA 0.526 59.625 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 1.078 121.419 120.300 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 0.031 115.771 115.700 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 0.036 58.255 58.200 0.031 0.000 1.052 235 S CB 1.125 64.351 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.240 121.366 120.300 -0.289 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.244 174.505 175.900 -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 39.050 38.460 -1.140 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.866 128.010 122.820 -1.126 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 50.589 52.037 -0.796 0.000 0.760 237 A CB 0.634 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 -2.392 174.096 176.600 -0.186 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 -0.292 62.772 63.100 -0.060 0.000 0.776 239 P CB 1.094 32.777 31.700 -0.028 0.000 0.881 240 T N -1.914 112.623 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.212 174.906 174.700 -0.011 0.000 1.019 240 T CA -0.278 61.813 62.100 -0.015 0.000 0.921 240 T CB -0.741 68.121 68.868 -0.010 0.000 1.053 240 T HN 0.596 nan 8.240 nan 0.000 0.533 241 N N -1.513 117.175 118.700 -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 0.690 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 0.163 120.312 120.200 -0.085 0.000 2.393 242 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 242 E C 0.417 176.911 176.600 -0.178 0.000 1.025 242 E CA 1.588 57.924 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 -0.973 117.567 118.700 -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 38.995 38.487 -1.231 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.098 108.834 108.800 -0.108 0.000 2.217 244 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G C 0.536 175.439 174.900 0.004 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 -0.188 108.631 108.800 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 0.567 175.469 174.900 0.004 0.000 1.295 245 G CA 0.562 45.696 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.192 120.985 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.287 177.268 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.617 55.803 -0.048 0.000 0.990 246 Q CB 1.169 29.848 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 -0.396 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 1.170 121.741 120.570 0.002 0.000 2.710 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.286 248 I C 0.583 176.706 176.117 0.009 0.000 1.181 248 I CA 0.392 61.693 61.300 0.002 0.000 1.430 248 I CB 0.665 38.667 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.833 128.061 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.126 176.750 176.870 0.011 0.000 1.035 249 L CA -0.638 54.208 54.840 0.011 0.000 0.806 249 L CB 1.422 43.487 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.163 115.878 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 259 S C 0.691 175.309 174.600 0.030 0.000 1.320 259 S CA 0.250 58.468 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 2.926 122.744 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.309 175.712 176.000 0.035 0.000 0.832 260 Q CA -0.216 55.605 55.803 0.029 0.000 1.010 260 Q CB 0.731 29.483 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.751 121.693 119.914 0.047 0.000 2.763 261 V HA 0.209 4.329 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 0.658 62.996 62.300 0.063 0.000 1.138 261 V CB 0.612 32.496 31.823 0.102 0.000 0.940 261 V HN 0.391 nan 8.190 nan 0.000 0.489 262 E N 4.941 125.155 120.200 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 -0.834 55.554 56.400 -0.020 0.000 0.798 262 E CB 1.484 31.179 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.957 120.429 119.600 -0.213 0.000 2.243 263 M HA 0.440 4.920 4.480 -0.000 0.000 0.341 263 M C 0.057 176.123 176.300 -0.391 0.000 1.130 263 M CA -0.098 54.899 55.300 -0.504 0.000 1.162 263 M CB 0.390 32.482 32.600 -0.846 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.182 121.682 119.800 -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 55.193 55.803 -0.364 0.000 0.772 264 Q CB 1.826 30.500 28.738 -0.106 0.000 1.253 264 Q HN 0.528 nan 8.270 nan 0.000 0.450 265 F N 1.896 121.565 119.950 -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 -0.699 0.000 1.096 265 F CA -0.470 57.310 58.000 -0.367 0.000 1.105 265 F CB 0.695 39.572 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.077 119.939 119.950 0.111 0.000 2.613 266 F HA 0.646 5.173 4.527 -0.000 0.000 0.310 266 F C -0.130 175.696 175.800 0.043 0.000 1.085 266 F CA -0.716 57.311 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 0.305 nan 8.300 nan 0.000 0.455 267 S N -0.559 115.269 115.700 0.213 0.000 2.651 267 S HA 0.581 5.051 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 -0.492 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 0.367 114.952 114.554 0.051 0.000 4.971 268 T HA 0.466 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 0.885 63.005 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 -0.145 121.075 121.223 -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 1.534 56.370 54.840 -0.008 0.000 0.911 279 L CB -1.398 40.650 42.059 -0.020 0.000 1.341 279 L HN 2.409 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 0.627 4.977 4.350 -0.000 0.000 0.329 280 T C -2.084 172.648 174.700 0.054 0.000 0.960 280 T CA -0.784 61.333 62.100 0.028 0.000 1.041 280 T CB 0.779 69.672 68.868 0.043 0.000 1.065 280 T HN 0.743 nan 8.240 nan 0.000 0.459 281 P HA 0.330 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 0.663 32.515 31.700 0.254 0.000 0.785 282 K N 1.982 122.447 120.400 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 0.774 57.083 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 0.398 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 0.659 4.779 4.120 -0.000 0.000 0.311 283 V C -1.390 174.805 176.094 0.168 0.000 1.104 283 V CA -0.714 61.668 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 5.734 125.680 119.914 0.054 0.000 2.686 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 284 V C -1.607 174.387 176.094 -0.168 0.000 1.065 284 V CA -0.319 61.857 62.300 -0.207 0.000 0.894 284 V CB 1.884 33.417 31.823 -0.484 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.158 127.246 121.223 -0.224 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.379 175.320 176.870 -0.284 0.000 1.007 285 L CA -0.752 54.025 54.840 -0.105 0.000 0.818 285 L CB 2.265 44.331 42.059 0.013 0.000 1.284 285 L HN 0.657 nan 8.230 nan 0.000 0.424 286 Y N 1.007 121.257 120.300 -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 0.782 39.187 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.142 118.861 115.700 0.033 0.000 2.548 287 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 287 S C -0.291 174.342 174.600 0.054 0.000 1.315 287 S CA -0.563 57.664 58.200 0.046 0.000 1.050 287 S CB 0.934 64.153 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 0.044 0.000 0.812 288 E CB 0.898 30.626 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.222 121.639 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.458 175.846 176.300 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 -0.384 119.528 119.914 -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 34.145 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 -0.064 53.907 54.000 -0.048 0.000 1.017 291 D CB 0.031 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 3.704 123.905 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.047 175.576 176.600 0.038 0.000 0.950 293 E CA -0.905 55.522 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 -2.313 172.423 174.700 0.061 0.000 1.187 294 T CA -1.245 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 0.429 177.761 177.300 0.052 0.000 1.148 295 P CA 1.212 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 -2.274 118.181 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.022 176.374 176.300 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 -2.734 111.895 114.554 0.124 0.000 2.865 297 T HA 0.643 4.993 4.350 -0.000 0.000 0.294 297 T C -0.628 174.203 174.700 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 -0.597 118.503 119.070 0.051 0.000 2.977 298 H HA 0.530 5.086 4.556 -0.000 0.000 0.350 298 H C -1.182 174.163 175.328 0.029 0.000 1.238 298 H CA -1.457 54.604 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 2.782 123.355 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.571 177.633 176.117 -0.091 0.000 1.063 299 I CA 0.175 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.995 38.983 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.032 121.659 115.700 -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 0.247 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 -1.166 174.707 175.900 -0.046 0.000 1.135 301 Y CA -1.198 56.872 58.100 -0.050 0.000 1.213 301 Y CB 0.976 39.403 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.609 127.871 119.600 -0.564 0.000 2.084 302 M HA 0.351 4.831 4.480 -0.000 0.000 0.351 302 M C -1.947 173.877 176.300 -0.794 0.000 1.240 302 M CA -2.810 52.187 55.300 -0.505 0.000 1.083 302 M CB 1.135 33.580 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 0.640 63.455 63.100 -0.476 0.000 0.785 303 P CB 0.434 32.005 31.700 -0.215 0.000 0.885 304 T N -2.110 112.319 114.554 -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 -0.424 61.598 62.100 -0.131 0.000 1.076 304 T CB 1.093 69.900 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.737 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.988 177.077 176.117 -0.047 0.000 1.287 305 I CA -0.082 61.181 61.300 -0.061 0.000 1.192 305 I CB -2.030 35.942 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.868 121.236 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.257 176.835 176.600 -0.038 0.000 1.010 306 K CA 0.126 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.420 32.057 32.500 -0.038 0.000 1.106 306 K HN 1.476 nan 8.250 nan 0.000 0.450 307 E N 0.255 120.441 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 -0.000 0.000 0.259 307 E C 0.994 177.588 176.600 -0.011 0.000 1.196 307 E CA 0.292 56.682 56.400 -0.017 0.000 0.995 307 E CB -0.246 29.450 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.523 109.321 108.800 -0.002 0.000 2.722 308 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G C -0.361 174.540 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.185 118.903 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 -0.000 0.000 0.262 309 N C 0.562 176.067 175.510 -0.008 0.000 1.202 309 N CA 0.669 53.729 53.050 0.018 0.000 0.926 309 N CB 1.513 40.064 38.487 0.106 0.000 1.078 309 N HN 1.335 nan 8.380 nan 0.000 0.454 310 S N -0.648 114.914 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.950 174.989 174.600 -0.935 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.017 64.101 63.200 -0.193 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.396 120.233 120.500 -1.104 0.000 2.139 311 R HA 0.037 4.377 4.340 -0.000 0.000 0.243 311 R C 2.478 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.261 58.737 56.100 -1.039 0.000 0.976 311 R CB -2.386 27.675 30.300 -0.398 0.000 0.866 311 R HN 1.241 nan 8.270 nan 0.000 0.449 312 E N 1.089 121.063 120.200 -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 1.441 57.698 56.400 -0.238 0.000 0.805 312 E CB -0.671 28.928 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.218 120.842 121.223 -0.271 0.000 2.450 313 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 313 L C 2.779 179.521 176.870 -0.215 0.000 1.149 313 L CA 0.707 55.419 54.840 -0.214 0.000 0.816 313 L CB -0.292 41.657 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.824 118.589 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.817 178.007 176.300 -0.184 0.000 1.071 314 M CA 1.320 56.439 55.300 -0.302 0.000 1.096 314 M CB -0.532 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 0.432 109.160 108.800 -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 0.386 175.353 174.900 0.110 0.000 1.159 315 G CA -0.403 44.691 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 0.436 4.776 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 0.058 55.893 55.803 0.054 0.000 0.888 316 Q CB 0.791 29.502 28.738 -0.045 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.935 120.802 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.242 174.757 176.000 -0.000 0.000 1.038 317 Q CA -0.645 55.185 55.803 0.045 0.000 0.832 317 Q CB 2.497 31.253 28.738 0.030 0.000 1.323 317 Q HN 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.344 118.037 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.991 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.626 57.584 58.200 0.016 0.000 1.059 318 S CB 0.821 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 5.022 124.560 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.833 173.468 176.300 0.001 0.000 1.136 319 M CA -2.012 53.214 55.300 -0.124 0.000 0.917 319 M CB 2.359 34.787 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 0.006 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 1.722 120.510 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.404 175.885 175.510 -0.049 0.000 1.214 321 N CA -0.266 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 1.581 122.009 120.500 -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 54.985 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 0.003 nan 4.420 nan 0.000 0.268 323 P C -0.852 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.006 62.867 63.100 -0.378 0.000 0.771 323 P CB 0.534 32.014 31.700 -0.365 0.000 0.858 324 N N 2.030 120.465 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.697 173.646 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.149 38.566 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.608 122.943 120.300 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 -0.068 58.135 58.100 0.172 0.000 1.265 325 Y CB 0.896 39.446 38.460 0.149 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.818 123.635 120.570 0.411 0.000 2.569 326 I HA 0.770 4.940 4.170 -0.000 0.000 0.290 326 I C -0.487 175.586 176.117 -0.073 0.000 1.088 326 I CA -0.693 60.661 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 0.725 nan 8.210 nan 0.000 0.421 327 A N 4.643 127.396 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 327 A C -1.503 175.981 177.584 -0.168 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.174 0.000 0.643 327 A CB 0.659 19.637 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 0.467 4.994 4.527 -0.000 0.000 0.331 328 F C 1.554 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.586 58.593 58.000 0.012 0.000 1.262 328 F CB 0.618 39.713 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 0.151 4.491 4.340 -0.000 0.000 0.268 329 R C -0.813 175.456 176.300 -0.051 0.000 1.101 329 R CA -0.923 55.222 56.100 0.075 0.000 1.180 329 R CB 0.201 30.565 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.291 121.666 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.199 176.070 176.300 -0.051 0.000 1.174 330 D CA 0.688 54.644 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 0.484 nan 8.370 nan 0.000 0.488 331 N N 3.556 122.188 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.056 175.502 175.510 0.080 0.000 1.112 331 N CA 0.877 53.931 53.050 0.007 0.000 0.750 331 N CB -1.462 37.127 38.487 0.170 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.820 118.191 119.950 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 0.203 58.256 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 0.391 121.094 120.570 0.221 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.644 177.884 176.117 0.205 0.000 1.220 333 I CA 1.601 63.018 61.300 0.195 0.000 1.435 333 I CB 0.049 38.133 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.316 113.220 108.800 0.173 0.000 2.320 334 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 334 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 334 G C 0.901 175.850 174.900 0.083 0.000 1.033 334 G CA 0.404 45.572 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.182 121.506 121.223 0.169 0.000 1.989 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 335 L C 1.911 178.823 176.870 0.071 0.000 1.071 335 L CA 1.650 56.602 54.840 0.186 0.000 0.749 335 L CB -0.216 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 -2.056 117.508 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.063 175.037 176.300 -0.333 0.000 1.177 336 M CA -0.374 54.742 55.300 -0.306 0.000 1.068 336 M CB 1.355 33.644 32.600 -0.519 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.321 121.455 120.300 -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 -0.185 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.182 120.279 120.300 0.269 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.070 175.932 175.900 0.171 0.000 1.076 338 Y CA -2.555 55.680 58.100 0.226 0.000 1.029 338 Y CB 1.435 40.056 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.380 118.514 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.693 174.905 175.510 0.148 0.000 1.033 339 N CA 0.977 54.162 53.050 0.224 0.000 0.727 339 N CB -1.229 37.416 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 0.978 64.247 63.200 0.115 0.000 1.008 340 S HN 0.120 nan 8.310 nan 0.000 0.482 341 T N 2.531 117.057 114.554 -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 2.043 64.094 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 0.930 175.688 174.900 -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 -0.618 174.598 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.981 38.839 38.487 -1.049 0.000 1.320 343 N HN 0.216 nan 8.380 nan 0.000 0.490 344 M N 1.177 120.527 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.897 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.115 54.891 55.300 -0.490 0.000 1.115 344 M CB 0.636 33.032 32.600 -0.340 0.000 1.664 344 M HN 0.228 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 -1.165 173.289 174.900 -0.743 0.000 1.219 345 G CA -0.626 43.397 45.100 -1.796 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.551 120.280 119.914 -0.309 0.000 2.733 346 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 346 V C -0.942 175.351 176.094 0.331 0.000 1.084 346 V CA -0.576 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 4.719 126.116 121.223 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 0.058 55.086 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 0.865 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 -0.180 177.560 177.584 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 0.065 109.007 108.800 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 2.592 178.577 176.000 -0.026 0.000 0.980 350 Q CA 1.480 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 -0.301 122.490 122.820 -0.049 0.000 2.218 351 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 351 A C 2.036 179.621 177.584 0.003 0.000 1.168 351 A CA 1.169 53.188 52.037 -0.030 0.000 0.804 351 A CB -0.127 18.844 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.797 112.917 115.700 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 1.418 57.248 55.803 0.045 0.000 1.411 353 Q CB -2.669 26.085 28.738 0.027 0.000 1.717 353 Q HN 0.913 nan 8.270 nan 0.000 0.683 354 L N 1.729 122.993 121.223 0.069 0.000 2.292 354 L HA 0.628 4.968 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 -0.566 54.319 54.840 0.075 0.000 0.806 354 L CB 1.447 43.557 42.059 0.085 0.000 1.175 354 L HN 0.547 nan 8.230 nan 0.000 0.431 355 N N 3.484 122.231 118.700 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 1.411 39.918 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.505 126.426 122.820 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 0.526 52.698 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 0.846 120.889 119.914 0.216 0.000 2.461 357 V HA 0.366 4.486 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 1.259 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 4.448 124.278 119.914 -0.140 0.000 2.498 358 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 358 V C -0.572 175.354 176.094 -0.280 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.364 0.000 0.867 358 V CB 1.597 32.998 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.160 123.453 120.400 -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 -0.027 0.000 0.990 359 D CB 2.224 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 1.227 122.515 121.223 0.108 0.000 2.388 360 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 360 L C 1.318 178.257 176.870 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 0.056 119.906 119.800 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 0.986 56.842 55.803 0.087 0.000 0.879 361 Q CB 0.236 29.002 28.738 0.047 0.000 0.947 361 Q HN 0.622 nan 8.270 nan 0.000 0.462 362 D N 0.372 120.840 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 362 D C 0.409 176.804 176.300 0.158 0.000 0.966 362 D CA 0.397 54.472 54.000 0.125 0.000 0.876 362 D CB 0.244 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 0.312 120.920 120.500 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 0.201 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 -0.310 175.231 175.510 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 0.869 115.474 114.554 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 0.924 57.343 56.400 0.032 0.000 0.801 366 E CB -0.574 29.188 29.700 0.103 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.115 122.319 121.223 -0.031 0.000 2.046 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 367 L C 2.525 179.376 176.870 -0.033 0.000 1.077 367 L CA 1.770 56.569 54.840 -0.068 0.000 0.747 367 L CB -0.753 41.245 42.059 -0.102 0.000 0.896 367 L HN -0.005 nan 8.230 nan 0.000 0.432 368 S N -1.743 113.964 115.700 0.012 0.000 2.387 368 S HA -0.308 4.162 4.470 -0.000 0.000 0.230 368 S C 2.093 176.724 174.600 0.052 0.000 1.035 368 S CA 1.659 59.895 58.200 0.061 0.000 1.014 368 S CB -0.605 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 1.671 121.918 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.552 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.637 59.668 58.100 -0.115 0.000 1.201 369 Y CB -0.291 38.102 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.086 119.856 119.800 -0.049 0.000 2.050 370 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 370 Q C 2.366 178.248 176.000 -0.196 0.000 0.980 370 Q CA 1.707 57.436 55.803 -0.123 0.000 0.840 370 Q CB -0.517 28.116 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 -0.144 4.196 4.340 -0.000 0.000 0.208 371 L C 2.412 179.004 176.870 -0.463 0.000 1.095 371 L CA 0.349 55.069 54.840 -0.200 0.000 0.770 371 L CB -0.451 41.609 42.059 0.002 0.000 0.914 371 L HN 0.175 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 -0.196 4.144 4.340 -0.000 0.000 0.208 372 L C 2.346 178.860 176.870 -0.592 0.000 1.077 372 L CA 1.633 55.886 54.840 -0.977 0.000 0.747 372 L CB -0.312 41.350 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.421 120.518 121.223 -0.474 0.000 2.012 373 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 373 L C 2.343 179.115 176.870 -0.164 0.000 1.073 373 L CA 1.958 56.605 54.840 -0.320 0.000 0.748 373 L CB -0.818 41.072 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.281 120.072 120.400 -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 1.521 55.529 54.000 0.014 0.000 0.839 374 D CB 0.134 41.068 40.800 0.223 0.000 0.948 374 D HN 0.290 nan 8.370 nan 0.000 0.460 375 S N -0.130 115.512 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.046 176.619 174.600 -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 -2.065 118.447 120.570 -0.097 0.000 3.956 376 I HA 0.587 4.757 4.170 -0.000 0.000 0.333 376 I C 0.697 176.788 176.117 -0.043 0.000 1.302 376 I CA -0.102 61.160 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 0.848 109.625 108.800 -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 0.052 120.436 120.400 -0.025 0.000 2.456 378 D HA 0.331 4.971 4.640 -0.000 0.000 0.219 378 D C 1.450 177.734 176.300 -0.027 0.000 1.126 378 D CA -0.690 53.291 54.000 -0.032 0.000 0.890 378 D CB 0.988 41.764 40.800 -0.042 0.000 1.025 378 D HN 0.187 nan 8.370 nan 0.000 0.511 379 R N 1.144 121.625 120.500 -0.032 0.000 2.355 379 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 379 R C 1.846 178.149 176.300 0.004 0.000 1.107 379 R CA 1.032 57.124 56.100 -0.013 0.000 1.021 379 R CB -1.109 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 -2.282 112.248 114.554 -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 0.150 62.205 62.100 -0.075 0.000 1.129 380 T CB 0.175 68.975 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.124 121.572 120.500 -0.087 0.000 2.490 381 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 381 R C -0.873 175.489 176.300 0.103 0.000 1.069 381 R CA -0.435 55.594 56.100 -0.117 0.000 1.080 381 R CB 0.387 30.641 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.514 121.742 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.008 175.965 175.900 0.094 0.000 1.133 382 Y CA -1.308 56.716 58.100 -0.127 0.000 1.152 382 Y CB 0.820 38.959 38.460 -0.534 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.239 122.272 119.950 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 0.990 40.042 39.000 0.087 0.000 1.418 383 F HN 0.480 nan 8.300 nan 0.000 0.527 384 S N 5.005 120.813 115.700 0.181 0.000 2.380 384 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 384 S C 2.141 176.505 174.600 -0.393 0.000 1.043 384 S CA 1.663 59.847 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 -0.023 119.020 119.600 -0.927 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.249 177.060 176.300 -0.817 0.000 1.073 385 M CA 2.237 56.843 55.300 -1.157 0.000 1.091 385 M CB -0.310 31.203 32.600 -1.813 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.684 120.301 121.300 -0.524 0.000 3.330 386 W HA 0.245 4.905 4.660 -0.000 0.000 0.348 386 W C 0.475 176.777 176.519 -0.361 0.000 1.205 386 W CA -0.611 56.627 57.345 -0.178 0.000 1.841 386 W CB -0.176 29.222 29.460 -0.102 0.000 1.084 386 W HN 0.376 nan 8.180 nan 0.000 0.665 387 N N 1.253 119.794 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.021 175.405 175.510 -0.210 0.000 1.107 387 N CA 0.697 53.493 53.050 -0.423 0.000 0.707 387 N CB -1.128 36.628 38.487 -1.219 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.227 120.010 119.800 -0.028 0.000 2.641 388 Q HA 0.458 4.798 4.340 -0.000 0.000 0.225 388 Q C -0.751 175.255 176.000 0.011 0.000 1.309 388 Q CA 0.372 56.222 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 0.410 nan 8.270 nan 0.000 0.563 389 A N 3.698 126.434 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 -0.000 0.000 0.299 389 A C -0.725 176.703 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.001 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 0.052 176.141 176.094 -0.007 0.000 1.089 390 V CA 0.492 62.787 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 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.112 173.558 174.600 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 -1.312 174.472 175.900 -0.195 0.000 1.123 393 Y CA -1.308 56.647 58.100 -0.242 0.000 1.046 393 Y CB 0.288 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 -1.768 174.625 176.300 0.156 0.000 1.193 394 D CA -2.030 51.999 54.000 0.048 0.000 0.881 394 D CB 1.615 42.414 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 0.563 177.918 177.300 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 40.917 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.279 120.228 119.914 0.059 0.000 2.575 397 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.228 0.000 1.045 397 V CA 0.594 62.821 62.300 -0.122 0.000 1.065 397 V CB -0.031 31.571 31.823 -0.368 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.567 120.895 120.500 -0.285 0.000 2.075 398 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 398 R C 0.557 176.717 176.300 -0.233 0.000 1.126 398 R CA 1.486 57.337 56.100 -0.414 0.000 0.963 398 R CB -0.093 29.806 30.300 -0.669 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.438 121.942 120.570 -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 -0.701 60.560 61.300 -0.064 0.000 1.119 399 I CB 1.964 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 0.069 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 0.287 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 6.677 126.992 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.675 175.933 176.600 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 3.412 122.159 118.700 0.078 0.000 2.663 402 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 402 N C 0.127 175.566 175.510 -0.118 0.000 1.129 402 N CA -0.043 53.009 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.422 120.373 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.072 176.265 175.328 -0.225 0.000 1.004 403 H CA 0.072 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 1.753 110.337 108.800 -0.360 0.000 2.512 404 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G C -0.187 174.465 174.900 -0.413 0.000 1.246 404 G CA 0.178 45.100 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 -0.189 0.000 2.909 405 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 405 T C -0.548 174.110 174.700 -0.071 0.000 1.073 405 T CA -0.145 61.871 62.100 -0.139 0.000 0.999 405 T CB 2.338 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 2.277 122.440 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.280 176.294 176.600 -0.044 0.000 1.120 406 E CA -0.415 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.075 29.747 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.218 121.593 120.400 -0.042 0.000 2.755 407 D HA 0.023 4.663 4.640 -0.000 0.000 0.257 407 D C 0.535 176.804 176.300 -0.051 0.000 1.291 407 D CA -0.251 53.720 54.000 -0.048 0.000 0.836 407 D CB 0.388 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.074 nan 8.370 nan 0.000 0.486 408 E N 0.307 120.480 120.200 -0.044 0.000 2.051 408 E HA 0.022 4.372 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 0.783 57.160 56.400 -0.038 0.000 0.799 408 E CB 0.102 29.784 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.416 123.608 121.223 -0.053 0.000 2.371 409 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 409 L C -2.003 174.791 176.870 -0.127 0.000 1.124 409 L CA -1.959 52.842 54.840 -0.064 0.000 0.816 409 L CB 0.318 42.347 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 -0.601 62.265 63.100 -0.391 0.000 0.810 410 P CB 0.640 32.065 31.700 -0.459 0.000 1.008 411 N N 1.049 119.369 118.700 -0.633 0.000 2.372 411 N HA 0.423 5.163 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 -0.476 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 0.005 120.200 120.300 -0.175 0.000 2.598 412 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 412 Y C 0.223 175.802 175.900 -0.536 0.000 1.038 412 Y CA -1.426 56.416 58.100 -0.431 0.000 1.100 412 Y CB 1.144 39.182 38.460 -0.703 0.000 1.281 412 Y HN 0.519 nan 8.280 nan 0.000 0.488 413 C N 0.391 119.385 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.024 173.574 174.990 -0.653 0.000 1.226 413 C CA -1.048 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 -1.977 173.818 175.800 -0.008 0.000 1.071 414 F CA -2.319 55.658 58.000 -0.038 0.000 0.994 414 F CB 0.334 39.306 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 -0.286 62.893 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 1.154 122.347 121.223 -0.051 0.000 2.089 416 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 416 L C 2.142 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.226 56.948 54.840 -0.196 0.000 0.758 416 L CB -1.246 40.789 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 0.492 44.579 45.100 -1.688 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.680 106.912 108.800 -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 0.096 174.953 174.900 -0.072 0.000 0.978 418 G CA 0.513 45.506 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.346 119.541 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 -0.000 0.000 0.294 419 V C 0.274 176.427 176.094 0.098 0.000 1.324 419 V CA 0.028 62.358 62.300 0.049 0.000 0.979 419 V CB 1.968 33.819 31.823 0.046 0.000 1.093 419 V HN 0.365 nan 8.190 nan 0.000 0.434 420 I N 2.724 123.366 120.570 0.121 0.000 4.770 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.327 420 I C 0.537 176.697 176.117 0.072 0.000 1.271 420 I CA 0.188 61.561 61.300 0.122 0.000 1.320 420 I CB 0.796 38.865 38.000 0.116 0.000 1.319 420 I HN 0.618 nan 8.210 nan 0.000 0.462 421 N N 2.825 121.554 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.110 175.418 175.510 0.030 0.000 1.268 421 N CA 0.178 53.239 53.050 0.017 0.000 1.035 421 N CB -0.115 38.367 38.487 -0.008 0.000 1.353 421 N HN 0.370 nan 8.380 nan 0.000 0.522 422 T N -1.555 113.026 114.554 0.045 0.000 2.860 422 T HA 0.204 4.554 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 -0.636 61.487 62.100 0.039 0.000 1.071 422 T CB 1.392 70.293 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 1.321 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 0.231 4.581 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 0.076 62.176 62.100 -0.001 0.000 1.151 424 T CB 0.060 68.927 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.847 123.067 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 -0.000 0.000 0.256 425 L C 0.136 177.001 176.870 -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 44.611 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 -0.577 174.107 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.842 70.712 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 0.480 32.891 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.771 121.677 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.607 175.592 176.094 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 33.774 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.612 124.149 120.400 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 54.526 56.287 0.186 0.000 0.802 429 K CB 1.638 34.185 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.138 121.433 121.300 -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 56.967 57.345 -0.009 0.000 1.209 438 W CB 2.028 31.481 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.345 120.674 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.874 30.610 29.700 0.060 0.000 1.183 439 E HN 0.648 nan 8.360 nan 0.000 0.418 440 K N 1.381 121.835 120.400 0.091 0.000 2.469 440 K HA 0.323 4.643 4.320 -0.000 0.000 0.274 440 K C -0.190 176.451 176.600 0.068 0.000 0.983 440 K CA 0.371 56.701 56.287 0.071 0.000 0.974 440 K CB 0.391 32.922 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.436 120.004 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.661 175.692 176.300 0.088 0.000 1.009 441 D CA 0.574 54.620 54.000 0.077 0.000 0.870 441 D CB 1.755 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 0.602 176.920 176.300 0.030 0.000 0.963 447 D CA 1.369 55.393 54.000 0.039 0.000 0.864 447 D CB -0.198 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 1.247 121.664 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.748 175.866 176.600 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 1.970 120.688 118.700 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 2.175 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 -0.058 56.356 56.400 0.024 0.000 0.817 450 E CB 1.328 31.045 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.584 123.167 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.481 175.647 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.862 39.864 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.615 126.130 120.500 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 -0.210 55.905 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 6.014 125.934 119.914 0.009 0.000 2.333 453 V HA 0.741 4.861 4.120 -0.000 0.000 0.274 453 V C 0.810 176.908 176.094 0.007 0.000 1.028 453 V CA 0.659 62.960 62.300 0.001 0.000 0.851 453 V CB 0.295 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 5.360 114.163 108.800 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 -0.615 174.293 174.900 0.012 0.000 1.248 454 G CA -0.756 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 0.287 53.346 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 0.915 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 0.113 4.853 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 -0.382 52.735 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 -0.098 119.888 119.950 0.060 0.000 2.467 457 F HA 0.530 5.057 4.527 -0.000 0.000 0.362 457 F C -0.166 175.656 175.800 0.038 0.000 1.090 457 F CA -0.714 57.310 58.000 0.039 0.000 1.202 457 F CB -0.163 38.860 39.000 0.038 0.000 1.113 457 F HN 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.641 130.032 122.820 -0.715 0.000 2.498 458 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 458 A C -1.250 175.871 177.584 -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 20.196 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 -0.434 175.789 176.300 -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 2.236 122.413 120.200 -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 -0.597 55.783 56.400 -0.033 0.000 0.842 460 E CB 2.530 32.236 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.709 123.191 120.570 -0.146 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.760 174.276 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.512 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 7.605 126.242 118.700 -0.104 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.798 176.280 175.510 -0.046 0.000 1.083 462 N CA -0.151 52.846 53.050 -0.088 0.000 0.964 462 N CB 0.516 38.956 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 1.774 178.651 176.870 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 41.610 42.059 -0.028 0.000 0.892 463 L HN 0.480 nan 8.230 nan 0.000 0.435 464 N N 0.080 118.783 118.700 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 0.087 0.000 1.031 464 N CA 1.660 54.728 53.050 0.031 0.000 0.852 464 N CB -0.386 38.098 38.487 -0.004 0.000 1.018 464 N HN 0.366 nan 8.380 nan 0.000 0.423 465 A N 1.714 124.579 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 465 A C 2.124 179.798 177.584 0.149 0.000 1.181 465 A CA 1.283 53.400 52.037 0.133 0.000 0.627 465 A CB -0.541 18.506 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 1.736 54.827 53.050 0.069 0.000 0.851 466 N CB -0.469 38.039 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.091 121.390 121.223 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 1.382 122.714 121.300 0.053 0.000 2.318 468 W HA -0.273 4.387 4.660 -0.000 0.000 0.313 468 W C 2.732 179.336 176.519 0.143 0.000 1.221 468 W CA 1.404 58.793 57.345 0.073 0.000 1.266 468 W CB -0.126 29.341 29.460 0.013 0.000 1.150 468 W HN 0.123 nan 8.180 nan 0.000 0.496 469 R N 0.264 120.779 120.500 0.024 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.907 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.315 58.350 56.100 -0.108 0.000 0.943 469 R CB -0.706 29.573 30.300 -0.035 0.000 0.846 469 R HN 0.157 nan 8.270 nan 0.000 0.431 470 N N -0.153 118.579 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.337 176.926 175.510 0.131 0.000 1.017 470 N CA 1.361 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 0.788 120.735 119.950 -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 -0.007 0.000 1.275 471 F CB -0.179 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 -1.151 119.909 121.223 -0.272 0.000 2.027 472 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 472 L C 2.326 179.063 176.870 -0.222 0.000 1.074 472 L CA 1.519 56.127 54.840 -0.388 0.000 0.745 472 L CB -1.049 40.727 42.059 -0.471 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.123 120.294 120.300 -0.215 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 1.799 59.811 58.100 -0.147 0.000 1.148 473 Y CB -0.276 38.113 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.095 115.599 115.700 -0.010 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.795 176.426 174.600 0.050 0.000 1.032 474 S CA 1.780 59.972 58.200 -0.013 0.000 1.005 474 S CB -0.434 62.807 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.038 118.680 118.700 -0.097 0.000 2.395 475 N HA 0.157 4.897 4.740 -0.000 0.000 0.175 475 N C 1.417 176.937 175.510 0.018 0.000 1.029 475 N CA 1.122 54.149 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 0.605 121.103 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 -0.000 0.000 0.258 476 I C 2.261 178.341 176.117 -0.062 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.517 37.400 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.457 124.162 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 477 A C 2.267 179.635 177.584 -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 17.298 19.000 -0.520 0.000 0.836 477 A HN 0.405 nan 8.150 nan 0.000 0.454 478 L N -2.252 118.671 121.223 -0.501 0.000 2.261 478 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 478 L C 2.007 178.580 176.870 -0.495 0.000 1.114 478 L CA 1.058 55.581 54.840 -0.529 0.000 0.777 478 L CB -0.436 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 -0.965 119.205 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.137 176.965 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.148 38.270 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.257 123.446 121.223 -0.057 0.000 2.499 480 L HA 0.004 4.344 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 -1.656 53.135 54.840 -0.082 0.000 0.839 480 L CB 0.056 42.029 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 0.553 32.213 31.700 -0.067 0.000 0.876 482 D N 2.402 122.769 120.400 -0.054 0.000 2.158 482 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 482 D C 1.732 178.003 176.300 -0.048 0.000 0.995 482 D CA 1.436 55.413 54.000 -0.038 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.362 120.733 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.833 178.383 176.600 -0.084 0.000 1.046 483 K CA 1.058 57.316 56.287 -0.048 0.000 0.933 483 K CB -0.384 32.094 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.679 121.810 121.223 -0.153 0.000 2.558 484 L HA 0.096 4.436 4.340 -0.000 0.000 0.225 484 L C 0.886 177.696 176.870 -0.100 0.000 1.128 484 L CA 0.131 54.867 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 0.464 4.784 4.320 -0.000 0.000 0.238 485 K C -1.114 175.477 176.600 -0.015 0.000 1.028 485 K CA -0.621 55.587 56.287 -0.131 0.000 0.935 485 K CB 1.223 33.582 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.028 117.198 120.300 -0.123 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.016 174.813 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.917 39.325 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.465 120.233 115.700 0.113 0.000 2.565 487 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 487 S C -2.457 172.217 174.600 0.123 0.000 1.326 487 S CA -0.859 57.352 58.200 0.019 0.000 1.045 487 S CB 0.280 63.493 63.200 0.022 0.000 0.918 487 S HN 0.555 nan 8.310 nan 0.000 0.505 488 P HA 0.257 nan 4.420 nan 0.000 0.277 488 P C -0.943 176.386 177.300 0.049 0.000 1.240 488 P CA -0.613 62.522 63.100 0.058 0.000 0.798 488 P CB 0.496 32.192 31.700 -0.007 0.000 0.979 489 S N 1.745 117.477 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 489 S C 0.415 174.994 174.600 -0.036 0.000 1.309 489 S CA -0.634 57.572 58.200 0.009 0.000 1.043 489 S CB -0.315 62.891 63.200 0.009 0.000 0.939 489 S HN 0.539 nan 8.310 nan 0.000 0.504 490 N N -0.891 117.785 118.700 -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 0.589 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 0.603 176.686 176.094 -0.017 0.000 1.044 491 V CA -0.693 61.592 62.300 -0.026 0.000 0.874 491 V CB 1.874 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 4.677 125.070 120.400 -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 56.613 56.287 -0.005 0.000 0.995 492 K CB 0.643 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 1.044 121.615 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.325 176.476 176.117 0.056 0.000 1.161 493 I CA -0.637 60.669 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 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.705 119.452 115.700 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 58.822 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 0.008 176.225 176.300 -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 0.797 119.420 118.700 -0.127 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 -1.909 51.033 53.050 -0.181 0.000 0.947 496 N CB 1.432 39.872 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 0.134 177.281 177.300 -0.256 0.000 1.160 497 P CA 0.782 63.365 63.100 -0.863 0.000 0.777 497 P CB 0.420 31.692 31.700 -0.714 0.000 0.814 498 N N -0.984 117.631 118.700 -0.142 0.000 2.383 498 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 498 N C 0.522 176.031 175.510 -0.002 0.000 1.141 498 N CA 0.545 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.319 38.149 38.487 -0.031 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.327 114.230 114.554 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 61.694 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 2.236 122.521 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 500 Y C 2.181 178.034 175.900 -0.078 0.000 1.129 500 Y CA 2.078 60.140 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.205 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 2.028 178.221 176.300 -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 0.487 nan 8.370 nan 0.000 0.452 502 Y N 0.505 120.690 120.300 -0.192 0.000 2.089 502 Y HA -0.187 4.363 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 1.850 59.839 58.100 -0.184 0.000 1.123 502 Y CB -0.377 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 -0.212 119.268 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 503 M C 1.790 177.776 176.300 -0.525 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 0.378 118.672 118.700 -0.676 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 1.029 53.619 53.050 -0.766 0.000 0.893 504 N CB 0.244 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 -0.561 119.514 120.400 -0.542 0.000 2.276 505 K HA 0.199 4.519 4.320 -0.000 0.000 0.198 505 K C 0.001 176.378 176.600 -0.373 0.000 1.052 505 K CA -0.162 55.882 56.287 -0.405 0.000 0.984 505 K CB 0.352 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.018 nan 8.250 nan 0.000 0.490 506 R N 1.812 122.001 120.500 -0.518 0.000 2.537 506 R HA -0.028 4.312 4.340 -0.000 0.000 0.281 506 R C -0.042 175.993 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.980 56.100 -0.521 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 2.797 122.387 119.914 -0.540 0.000 2.612 507 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 507 V C -0.479 175.228 176.094 -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 5.949 125.654 119.914 -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 1.687 33.370 31.823 -0.233 0.000 1.003 508 V HN 1.615 nan 8.190 nan 0.000 0.425 509 A N 7.919 130.766 122.820 0.045 0.000 2.404 509 A HA 0.595 4.915 4.320 -0.000 0.000 0.273 509 A C -1.628 176.041 177.584 0.142 0.000 1.144 509 A CA -1.071 51.017 52.037 0.085 0.000 0.806 509 A CB 0.328 19.352 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 1.678 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 -0.328 108.494 108.800 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 0.250 45.382 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 0.865 177.779 176.870 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 -0.779 119.145 119.914 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 -0.584 61.696 62.300 -0.034 0.000 1.114 513 V CB 0.525 32.319 31.823 -0.049 0.000 1.378 513 V HN 0.101 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 0.666 119.737 119.300 -0.381 0.000 2.400 515 C HA -0.162 4.298 4.460 -0.000 0.000 0.291 515 C C 1.907 176.970 174.990 0.121 0.000 1.372 515 C CA 0.193 59.169 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 -1.139 119.267 120.300 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 56.015 58.100 0.141 0.000 1.256 516 Y CB -1.084 37.432 38.460 0.094 0.000 1.112 516 Y HN 0.177 nan 8.280 nan 0.000 0.521 517 I N 3.440 124.091 120.570 0.135 0.000 2.533 517 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 517 I C 0.166 176.387 176.117 0.173 0.000 1.109 517 I CA 0.156 61.554 61.300 0.165 0.000 1.412 517 I CB -0.400 37.648 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.543 124.322 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.081 175.483 175.510 0.090 0.000 0.978 518 N CA 0.501 53.593 53.050 0.070 0.000 0.777 518 N CB -0.912 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 1.216 56.111 54.840 0.091 0.000 0.900 519 L CB 0.086 42.199 42.059 0.090 0.000 1.144 519 L HN 0.645 nan 8.230 nan 0.000 0.496 520 G N 2.626 111.458 108.800 0.052 0.000 2.162 520 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 520 G HA3 -0.233 3.727 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 0.150 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 -0.666 122.194 122.820 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 -0.163 51.927 52.037 0.089 0.000 0.831 521 A CB 1.043 20.075 19.000 0.053 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.480 122.085 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.594 174.870 176.300 0.273 0.000 1.272 522 R CA -0.168 56.037 56.100 0.175 0.000 1.417 522 R CB 0.424 30.789 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 -1.055 175.458 176.519 -0.009 0.000 1.110 523 W CA -0.651 56.693 57.345 -0.003 0.000 1.230 523 W CB 2.212 31.675 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 -0.180 174.149 174.600 -0.451 0.000 1.272 524 S CA -0.695 57.262 58.200 -0.405 0.000 1.050 524 S CB 1.402 64.348 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.803 123.953 121.223 -0.123 0.000 2.499 525 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 525 L C 0.945 177.777 176.870 -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 1.762 122.158 120.400 -0.008 0.000 2.263 526 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 526 D C 1.625 177.901 176.300 -0.039 0.000 0.971 526 D CA 1.419 55.379 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 -0.170 120.155 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 527 Y C 2.185 178.093 175.900 0.012 0.000 1.124 527 Y CA 0.642 58.763 58.100 0.035 0.000 1.178 527 Y CB -0.129 38.353 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.609 119.073 119.600 0.136 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 0.629 55.950 55.300 0.034 0.000 1.091 528 M CB -0.722 31.858 32.600 -0.032 0.000 1.420 528 M HN 0.147 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 1.097 177.496 176.300 0.164 0.000 0.998 529 D CA 1.230 55.185 54.000 -0.074 0.000 0.836 529 D CB -0.242 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 0.031 4.771 4.740 -0.000 0.000 0.200 530 N C -0.456 175.268 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.338 0.000 0.835 530 N CB 0.951 39.580 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.685 121.708 119.914 0.180 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.587 176.528 176.094 -0.255 0.000 1.037 531 V CA -1.150 61.179 62.300 0.048 0.000 0.900 531 V CB 1.336 33.172 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.753 126.187 118.700 -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 -0.507 0.000 1.331 532 N CA -1.199 51.284 53.050 -0.945 0.000 0.891 532 N CB 1.419 39.692 38.487 -0.357 0.000 1.139 532 N HN 0.338 nan 8.380 nan 0.000 0.487 533 P HA -0.032 nan 4.420 nan 0.000 0.225 533 P C 0.850 177.797 177.300 -0.589 0.000 1.156 533 P CA 0.979 63.637 63.100 -0.738 0.000 0.787 533 P CB 0.002 30.963 31.700 -1.231 0.000 0.802 534 F N -0.196 119.726 119.950 -0.046 0.000 2.367 534 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 534 F C 1.104 176.952 175.800 0.079 0.000 1.094 534 F CA 0.402 58.446 58.000 0.073 0.000 1.409 534 F CB -1.151 37.912 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.463 120.279 118.700 0.193 0.000 2.671 535 N HA 0.005 4.745 4.740 -0.000 0.000 0.274 535 N C -0.655 174.979 175.510 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 0.551 119.654 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.765 176.144 175.328 0.085 0.000 1.260 536 H CA -0.380 55.619 56.048 -0.081 0.000 1.160 536 H CB 1.204 30.709 29.762 -0.427 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.339 121.453 119.070 0.073 0.000 2.546 537 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 537 H C 0.504 176.022 175.328 0.316 0.000 1.004 537 H CA 0.456 56.690 56.048 0.311 0.000 1.231 537 H CB 0.271 30.200 29.762 0.278 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.936 121.464 120.500 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 30.328 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.206 119.943 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 539 N C 0.699 176.230 175.510 0.035 0.000 1.127 539 N CA -0.013 53.083 53.050 0.076 0.000 0.945 539 N CB 1.265 39.838 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.720 126.572 122.820 0.053 0.000 1.908 540 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 540 A C 1.981 179.609 177.584 0.073 0.000 1.181 540 A CA 1.945 54.034 52.037 0.086 0.000 0.627 540 A CB -1.142 17.943 19.000 0.142 0.000 0.818 540 A HN 0.666 nan 8.150 nan 0.000 0.445 541 G N -0.122 108.696 108.800 0.029 0.000 2.459 541 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 541 G HA3 -0.174 3.786 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 1.304 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 0.485 121.693 121.223 -0.024 0.000 2.056 542 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 542 L C 2.669 179.492 176.870 -0.078 0.000 1.078 542 L CA 2.166 56.998 54.840 -0.012 0.000 0.749 542 L CB -0.617 41.473 42.059 0.051 0.000 0.901 542 L HN 0.232 nan 8.230 nan 0.000 0.433 543 R N -1.669 118.719 120.500 -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 58.004 56.100 -0.440 0.000 0.951 543 R CB -0.715 29.309 30.300 -0.460 0.000 0.851 543 R HN 0.581 nan 8.270 nan 0.000 0.434 544 Y N 0.752 120.963 120.300 -0.150 0.000 2.181 544 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 544 Y C 2.124 177.976 175.900 -0.080 0.000 1.146 544 Y CA 1.730 59.779 58.100 -0.085 0.000 1.164 544 Y CB -0.007 38.387 38.460 -0.111 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.578 119.887 120.500 -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 1.238 57.277 56.100 -0.102 0.000 0.976 545 R CB -0.476 29.799 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.295 115.987 115.700 -0.014 0.000 2.368 546 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 546 S C 1.879 176.530 174.600 0.085 0.000 1.029 546 S CA 1.107 59.361 58.200 0.091 0.000 0.988 546 S CB 0.027 63.416 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 1.856 178.109 176.300 -0.079 0.000 1.068 547 M CA 0.599 55.909 55.300 0.017 0.000 1.118 547 M CB -0.291 32.321 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.499 121.596 121.223 -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 1.837 56.547 54.840 -0.216 0.000 0.757 548 L CB -0.639 41.246 42.059 -0.288 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.042 119.179 121.223 -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 55.370 54.840 0.046 0.000 0.790 549 L CB -0.385 41.681 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.100 108.930 108.800 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 -0.479 174.521 174.900 0.166 0.000 1.284 550 G CA -0.056 45.096 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.073 118.885 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.732 176.448 175.510 0.343 0.000 1.130 551 N CA 0.791 54.008 53.050 0.279 0.000 0.861 551 N CB 1.011 39.596 38.487 0.163 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.116 108.835 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 -0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 -0.000 0.000 0.331 552 G C 0.401 175.321 174.900 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 -0.295 120.170 120.500 -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 -0.414 0.000 1.137 553 R CA 1.113 57.008 56.100 -0.341 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 -0.386 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.647 57.447 58.100 -0.010 0.000 1.196 554 Y CB 1.393 39.858 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.737 125.750 119.914 0.165 0.000 2.569 555 V HA 0.417 4.537 4.120 -0.000 0.000 0.301 555 V C -2.592 173.627 176.094 0.209 0.000 1.044 555 V CA -2.168 60.224 62.300 0.153 0.000 0.874 555 V CB 2.194 34.080 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 -1.039 176.351 177.300 0.149 0.000 1.300 556 P CA -0.196 62.944 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 0.129 120.151 119.950 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 0.169 0.000 1.059 557 F CA -1.121 56.980 58.000 0.169 0.000 0.953 557 F CB 1.740 40.907 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.888 123.102 119.070 0.240 0.000 3.108 558 H HA 0.623 5.179 4.556 -0.000 0.000 0.329 558 H C -1.361 174.026 175.328 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 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.966 121.646 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.574 174.464 176.117 -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 40.489 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.448 122.143 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.246 174.862 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.525 31.009 28.738 -0.423 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.244 124.302 119.914 0.239 0.000 2.435 561 V HA 0.620 4.740 4.120 -0.000 0.000 0.290 561 V C -2.219 174.024 176.094 0.247 0.000 1.030 561 V CA -1.965 60.475 62.300 0.233 0.000 0.881 561 V CB 1.473 33.350 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 -1.260 175.889 177.300 -0.251 0.000 1.258 562 P CA -0.792 62.081 63.100 -0.378 0.000 0.824 562 P CB 1.080 32.252 31.700 -0.881 0.000 1.038 563 Q N 1.344 120.976 119.800 -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 0.752 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 3.330 123.627 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 564 K C -0.221 176.276 176.600 -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 2.810 122.653 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 -0.000 0.000 0.398 565 F C 1.082 176.872 175.800 -0.016 0.000 1.023 565 F CA -0.866 57.132 58.000 -0.004 0.000 1.188 565 F CB 0.192 39.348 39.000 0.260 0.000 1.005 565 F HN 0.069 nan 8.300 nan 0.000 0.546 566 F N 4.374 123.937 119.950 -0.644 0.000 2.161 566 F HA -0.081 4.446 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 1.328 59.051 58.000 -0.461 0.000 1.282 566 F CB -1.192 37.622 39.000 -0.310 0.000 1.010 566 F HN 0.381 nan 8.300 nan 0.000 0.485 567 A N 1.050 122.917 122.820 -1.588 0.000 2.119 567 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 567 A C 2.058 179.325 177.584 -0.529 0.000 1.153 567 A CA 1.518 52.980 52.037 -0.960 0.000 0.692 567 A CB -1.132 17.438 19.000 -0.717 0.000 0.799 567 A HN 0.759 nan 8.150 nan 0.000 0.458 568 I N -4.042 116.312 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 -0.000 0.000 0.329 568 I C 1.722 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.276 0.000 1.205 568 I CB -0.032 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 2.198 122.414 120.400 -0.306 0.000 2.113 569 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 569 K C 0.631 177.077 176.600 -0.257 0.000 1.047 569 K CA 2.510 58.652 56.287 -0.241 0.000 0.928 569 K CB -0.693 31.715 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.229 118.691 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.835 174.535 175.510 -0.234 0.000 1.182 570 N CA -0.512 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.609 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 1.505 122.484 121.223 -0.408 0.000 2.490 571 L HA 0.204 4.544 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 -0.165 54.562 54.840 -0.189 0.000 0.869 571 L CB 0.474 42.379 42.059 -0.256 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.801 127.030 121.223 0.011 0.000 2.259 572 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 572 L C -0.821 176.018 176.870 -0.051 0.000 1.051 572 L CA -0.185 54.641 54.840 -0.023 0.000 0.824 572 L CB 0.793 42.861 42.059 0.015 0.000 1.206 572 L HN 0.615 nan 8.230 nan 0.000 0.429 573 L N 5.763 126.917 121.223 -0.116 0.000 2.313 573 L HA 0.363 4.703 4.340 -0.000 0.000 0.282 573 L C -0.208 176.644 176.870 -0.029 0.000 1.092 573 L CA 0.377 55.120 54.840 -0.161 0.000 0.831 573 L CB 0.621 42.487 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.852 127.096 121.223 0.036 0.000 2.479 574 L HA 0.444 4.784 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 42.150 42.059 0.085 0.000 1.187 574 L HN 0.465 nan 8.230 nan 0.000 0.480 575 P HA 0.235 nan 4.420 nan 0.000 0.269 575 P C -0.157 177.233 177.300 0.150 0.000 1.209 575 P CA 0.236 63.439 63.100 0.171 0.000 0.776 575 P CB 0.705 32.458 31.700 0.088 0.000 0.876 576 G N 0.344 109.185 108.800 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 -1.479 173.190 174.900 -0.385 0.000 1.329 576 G CA -0.612 44.362 45.100 -0.210 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.189 115.186 115.700 -0.543 0.000 2.451 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 577 S C -1.232 173.017 174.600 -0.585 0.000 1.116 577 S CA -0.341 57.640 58.200 -0.365 0.000 1.093 577 S CB 0.677 63.792 63.200 -0.141 0.000 1.017 577 S HN 0.485 nan 8.310 nan 0.000 0.482 578 Y N 0.326 120.634 120.300 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 -1.089 57.029 58.100 0.031 0.000 1.051 578 Y CB 1.251 39.713 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.714 117.427 114.554 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 62.020 62.100 0.243 0.000 0.972 579 T CB -0.405 68.558 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.600 124.040 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 580 Y C -0.194 175.963 175.900 0.428 0.000 0.958 580 Y CA -1.753 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.873 39.485 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.103 126.468 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.922 174.731 176.600 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 2.585 123.752 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.147 175.121 176.519 -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 31.286 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.163 120.607 118.700 -0.427 0.000 2.399 583 N HA 0.484 5.224 4.740 -0.000 0.000 0.295 583 N C -1.541 173.849 175.510 -0.200 0.000 1.048 583 N CA -0.253 52.689 53.050 -0.181 0.000 0.886 583 N CB 1.686 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 0.637 120.751 119.950 0.273 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.027 177.031 175.800 0.339 0.000 1.103 584 F CA -0.878 57.230 58.000 0.181 0.000 0.926 584 F CB 1.339 40.254 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 0.622 177.205 176.300 0.472 0.000 1.078 585 R CA -0.205 56.048 56.100 0.254 0.000 1.127 585 R CB 0.858 31.123 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.305 120.962 120.400 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 0.248 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 1.996 122.575 120.400 0.298 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.386 177.790 176.300 0.173 0.000 1.255 587 D CA -0.035 54.131 54.000 0.276 0.000 0.914 587 D CB 1.192 42.171 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.490 122.476 119.914 0.120 0.000 2.469 588 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 588 V C 1.694 177.815 176.094 0.045 0.000 1.064 588 V CA 1.429 63.757 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 -0.240 118.507 118.700 0.080 0.000 2.453 589 N HA 0.017 4.757 4.740 -0.000 0.000 0.183 589 N C 1.567 177.195 175.510 0.196 0.000 1.041 589 N CA 1.543 54.638 53.050 0.074 0.000 0.900 589 N CB -0.152 38.355 38.487 0.033 0.000 0.961 589 N HN 0.489 nan 8.380 nan 0.000 0.443 590 M N -0.764 118.949 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.091 178.483 176.300 0.153 0.000 1.168 590 M CA 0.617 56.024 55.300 0.178 0.000 1.194 590 M CB -0.835 31.831 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.718 119.289 119.914 0.155 0.000 2.871 591 V HA 0.132 4.252 4.120 -0.000 0.000 0.256 591 V C 0.959 177.141 176.094 0.147 0.000 1.082 591 V CA 0.548 62.976 62.300 0.213 0.000 1.105 591 V CB -0.354 31.644 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 -0.386 176.459 176.870 -0.041 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.744 43.682 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.117 120.883 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.531 174.454 176.000 -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 31.267 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.794 116.472 115.700 -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 64.872 63.200 -0.019 0.000 1.089 594 S HN 0.734 nan 8.310 nan 0.000 0.496 595 S N 0.862 116.650 115.700 0.147 0.000 2.436 595 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 595 S C 1.377 176.083 174.600 0.176 0.000 1.014 595 S CA 0.276 58.595 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 0.371 4.711 4.340 -0.000 0.000 0.215 596 L C 1.954 178.853 176.870 0.049 0.000 1.108 596 L CA 1.144 56.034 54.840 0.084 0.000 0.830 596 L CB -1.476 40.623 42.059 0.066 0.000 0.959 596 L HN 0.598 nan 8.230 nan 0.000 0.457 597 G N 0.354 109.137 108.800 -0.029 0.000 2.160 597 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G C 0.459 175.263 174.900 -0.161 0.000 1.008 597 G CA 0.498 45.472 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.333 118.999 118.700 -0.056 0.000 2.260 598 N HA 0.222 4.962 4.740 -0.000 0.000 0.230 598 N C -0.389 175.079 175.510 -0.069 0.000 1.323 598 N CA 0.072 53.112 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.069 38.487 0.058 0.000 1.146 598 N HN 0.116 nan 8.380 nan 0.000 0.460 599 D N 0.282 120.659 120.400 -0.039 0.000 2.402 599 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 599 D C 1.113 177.389 176.300 -0.041 0.000 1.226 599 D CA -0.299 53.668 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 3.573 124.760 121.223 -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 0.684 55.496 54.840 -0.047 0.000 0.782 600 L CB -0.230 41.790 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.488 120.013 120.500 0.001 0.000 2.066 601 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 601 R C 2.198 178.513 176.300 0.023 0.000 1.131 601 R CA 1.104 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 2.237 122.161 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.943 177.042 176.094 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 0.257 120.657 120.400 -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 -0.105 40.689 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.280 109.072 108.800 -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 0.275 45.368 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.530 122.266 122.820 -0.041 0.000 2.407 605 A HA 0.764 5.084 4.320 -0.000 0.000 0.248 605 A C 0.639 178.200 177.584 -0.039 0.000 1.082 605 A CA 1.087 53.087 52.037 -0.063 0.000 0.785 605 A CB 0.957 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 0.461 116.135 115.700 -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 0.938 64.143 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.323 123.863 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.575 174.441 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.718 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 6.690 127.006 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 608 K C -2.109 174.370 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.438 33.907 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.322 123.293 119.950 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 0.582 120.984 120.400 0.004 0.000 2.262 610 D HA 0.015 4.655 4.640 -0.000 0.000 0.212 610 D C 0.493 176.783 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.966 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 -1.244 173.291 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.670 64.850 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.239 122.774 120.570 -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 1.071 38.903 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 0.122 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.727 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 1.840 122.973 121.223 -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 -0.032 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.312 41.901 42.059 -0.784 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.612 123.676 120.300 -0.394 0.000 2.420 615 Y HA 0.834 5.384 4.550 -0.000 0.000 0.334 615 Y C 0.209 175.944 175.900 -0.276 0.000 1.094 615 Y CA -0.225 57.639 58.100 -0.393 0.000 1.126 615 Y CB 2.270 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 -1.105 176.565 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.915 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 2.065 116.638 114.554 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 62.295 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 -0.115 175.780 175.800 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 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.665 174.243 175.800 0.179 0.000 1.075 619 F CA -2.124 55.971 58.000 0.158 0.000 1.225 619 F CB 0.740 39.806 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 31.330 31.700 -0.117 0.000 1.882 621 M N 1.151 121.004 119.600 0.422 0.000 2.250 621 M HA 0.193 4.673 4.480 -0.000 0.000 0.337 621 M C 0.298 176.799 176.300 0.335 0.000 1.161 621 M CA -0.060 55.541 55.300 0.503 0.000 1.088 621 M CB 0.558 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 4.266 127.248 122.820 0.270 0.000 2.540 622 A HA 0.010 4.330 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 0.191 52.351 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 1.997 121.117 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.889 177.256 175.328 0.064 0.000 1.097 623 H CA 1.419 57.508 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 0.911 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 1.703 177.276 175.510 0.105 0.000 1.030 624 N CA 1.753 54.876 53.050 0.122 0.000 0.849 624 N CB -1.052 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 1.419 116.044 114.554 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 2.001 64.160 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 -1.241 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 -1.230 114.504 115.700 0.056 0.000 2.370 627 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 627 S C 1.998 176.620 174.600 0.037 0.000 1.033 627 S CA 2.345 60.569 58.200 0.039 0.000 1.011 627 S CB -0.802 62.424 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.323 116.903 114.554 0.043 0.000 2.777 628 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 628 T C 1.691 176.406 174.700 0.026 0.000 1.040 628 T CA 1.360 63.481 62.100 0.035 0.000 1.141 628 T CB -0.515 68.377 68.868 0.039 0.000 0.868 628 T HN 0.402 nan 8.240 nan 0.000 0.444 629 L N 1.331 122.570 121.223 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 -0.490 41.577 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.277 119.935 120.200 0.020 0.000 2.031 630 E HA -0.270 4.080 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 1.092 123.917 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.263 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.256 54.295 52.037 0.003 0.000 0.638 631 A CB -0.663 18.344 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.805 118.795 119.600 0.000 0.000 2.086 632 M HA -0.075 4.404 4.480 -0.000 0.000 0.261 632 M C 1.935 178.229 176.300 -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 0.570 55.400 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 0.067 4.407 4.340 -0.000 0.000 0.196 634 R C 0.099 176.338 176.300 -0.101 0.000 0.961 634 R CA 0.032 56.067 56.100 -0.108 0.000 1.024 634 R CB -0.020 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 1.703 120.386 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.224 175.783 175.510 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 39.775 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.446 120.057 120.400 0.171 0.000 2.182 636 D HA -0.213 4.427 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 1.481 55.587 54.000 0.175 0.000 0.847 636 D CB -0.297 40.512 40.800 0.014 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.221 113.352 114.554 0.031 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.079 175.780 174.700 0.001 0.000 1.084 637 T CA 0.930 63.033 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 1.846 120.552 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.947 174.562 175.510 -0.001 0.000 1.129 638 N CA -0.210 52.838 53.050 -0.003 0.000 0.854 638 N CB 0.160 38.644 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.313 121.723 120.400 0.018 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 0.395 54.412 54.000 0.027 0.000 0.881 639 D CB 1.056 41.894 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.428 120.195 119.800 -0.055 0.000 2.368 640 Q HA 0.458 4.798 4.340 -0.000 0.000 0.237 640 Q C -0.212 175.605 176.000 -0.305 0.000 0.987 640 Q CA -0.254 55.438 55.803 -0.185 0.000 0.896 640 Q CB 1.040 29.739 28.738 -0.064 0.000 1.241 640 Q HN 0.506 nan 8.270 nan 0.000 0.485 641 S N 0.503 115.786 115.700 -0.695 0.000 2.533 641 S HA 0.772 5.242 4.470 -0.000 0.000 0.271 641 S C -1.377 172.670 174.600 -0.922 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 1.410 121.395 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 642 F C -0.037 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.317 58.000 0.136 0.000 0.949 642 F CB 2.019 41.102 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.221 118.702 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.068 173.302 175.510 -0.232 0.000 1.114 643 N CA -0.632 52.448 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 0.363 120.219 120.400 -0.906 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.918 177.047 176.300 -0.286 0.000 1.128 644 D CA -0.193 53.354 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 3.554 123.737 120.300 -0.195 0.000 2.128 645 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 645 Y C 1.698 177.499 175.900 -0.164 0.000 1.154 645 Y CA 1.433 59.449 58.100 -0.140 0.000 1.149 645 Y CB -0.195 38.210 38.460 -0.092 0.000 0.976 645 Y HN 0.530 nan 8.280 nan 0.000 0.505 646 L N 0.359 121.535 121.223 -0.079 0.000 2.046 646 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 646 L C 1.270 177.985 176.870 -0.258 0.000 1.077 646 L CA 1.860 56.614 54.840 -0.143 0.000 0.747 646 L CB -0.859 41.169 42.059 -0.053 0.000 0.896 646 L HN 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.303 115.231 115.700 -0.277 0.000 3.436 647 S HA 0.013 4.483 4.470 -0.000 0.000 0.393 647 S C -0.014 174.448 174.600 -0.229 0.000 0.914 647 S CA 0.472 58.491 58.200 -0.301 0.000 1.317 647 S CB -1.455 61.497 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.515 123.251 122.820 -0.140 0.000 2.608 648 A HA 0.843 5.163 4.320 -0.000 0.000 0.292 648 A C -0.555 177.016 177.584 -0.021 0.000 1.066 648 A CA -0.055 51.931 52.037 -0.084 0.000 0.676 648 A CB 0.886 19.831 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.672 124.472 122.820 -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 3.529 122.335 118.700 0.177 0.000 2.426 650 N HA 0.493 5.233 4.740 -0.000 0.000 0.275 650 N C -0.820 174.867 175.510 0.294 0.000 1.019 650 N CA -0.153 53.101 53.050 0.339 0.000 0.941 650 N CB 1.447 40.208 38.487 0.457 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.326 122.148 119.600 0.369 0.000 2.530 651 M HA 0.512 4.992 4.480 -0.000 0.000 0.307 651 M C -0.902 175.450 176.300 0.087 0.000 1.161 651 M CA -0.632 54.756 55.300 0.147 0.000 0.903 651 M CB 2.128 34.822 32.600 0.157 0.000 1.711 651 M HN 0.227 nan 8.290 nan 0.000 0.451 652 L N 2.798 123.868 121.223 -0.256 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.670 174.945 176.870 -0.425 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 2.935 123.273 120.300 0.062 0.000 2.376 653 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 653 Y C -2.263 173.644 175.900 0.011 0.000 0.965 653 Y CA -2.919 55.206 58.100 0.042 0.000 1.078 653 Y CB 1.482 39.974 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 0.105 63.246 63.100 0.069 0.000 0.776 654 P CB 1.105 32.830 31.700 0.042 0.000 0.881 655 I N 4.296 124.881 120.570 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 -2.715 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 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.000 177.295 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.568 32.269 31.700 0.001 0.000 0.855 657 A N 2.876 125.691 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 -0.000 0.000 0.240 657 A C 0.933 178.514 177.584 -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 -0.888 117.808 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 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 53.770 53.050 -0.003 0.000 1.010 658 N CB -1.668 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 -0.026 122.788 122.820 -0.011 0.000 2.466 659 A HA 0.439 4.759 4.320 -0.000 0.000 0.238 659 A C 1.203 178.775 177.584 -0.020 0.000 1.074 659 A CA 1.242 53.273 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 0.252 114.797 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 -0.000 0.000 0.260 660 T C 0.226 174.920 174.700 -0.011 0.000 0.939 660 T CA 0.056 62.144 62.100 -0.020 0.000 0.886 660 T CB -0.172 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.113 119.813 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.398 174.125 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.116 nan 8.380 nan 0.000 0.486 662 V N 4.635 124.579 119.914 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 1.294 33.147 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.654 nan 4.420 nan 0.000 0.300 663 P C -0.795 176.483 177.300 -0.036 0.000 1.326 663 P CA -0.504 62.596 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 -1.033 119.498 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.871 175.230 176.117 -0.026 0.000 1.049 664 I CA -0.671 60.548 61.300 -0.135 0.000 1.063 664 I CB 2.569 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 6.295 122.014 115.700 0.032 0.000 2.521 665 S HA 0.702 5.172 4.470 -0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.128 0.000 1.098 665 S CA -0.675 57.569 58.200 0.073 0.000 0.999 665 S CB 1.376 64.612 63.200 0.061 0.000 1.034 665 S HN 0.509 nan 8.310 nan 0.000 0.483 666 I N 5.335 125.992 120.570 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 1.478 39.624 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.264 177.603 177.300 0.065 0.000 1.195 667 P CA 0.076 63.211 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 3.223 118.980 115.700 0.094 0.000 2.810 668 S HA -0.020 4.450 4.470 -0.000 0.000 0.329 668 S C 0.360 174.982 174.600 0.037 0.000 1.231 668 S CA 0.286 58.562 58.200 0.128 0.000 1.042 668 S CB -0.406 62.846 63.200 0.087 0.000 0.756 668 S HN 0.739 nan 8.310 nan 0.000 0.504 669 R N 3.205 123.737 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 -0.000 0.000 0.267 669 R C -1.097 175.077 176.300 -0.211 0.000 1.051 669 R CA -1.118 54.860 56.100 -0.204 0.000 0.927 669 R CB 0.377 30.351 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.136 118.344 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.786 174.447 175.510 -0.462 0.000 1.098 670 N CA -0.235 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 1.860 123.196 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.746 177.338 176.519 0.121 0.000 1.043 671 W CA -0.387 56.968 57.345 0.016 0.000 1.692 671 W CB -0.028 29.395 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 1.506 179.233 177.584 0.239 0.000 1.063 672 A CA 1.248 53.436 52.037 0.252 0.000 0.757 672 A CB -0.101 18.997 19.000 0.164 0.000 0.991 672 A HN 1.164 nan 8.150 nan 0.000 0.503 673 A N 1.538 124.512 122.820 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 0.758 52.963 52.037 0.280 0.000 1.179 673 A CB -2.606 16.494 19.000 0.167 0.000 1.133 673 A HN 2.016 nan 8.150 nan 0.000 0.933 674 F N 1.883 121.949 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.069 0.000 1.077 674 F CA 0.740 58.787 58.000 0.078 0.000 1.268 674 F CB 0.432 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 3.313 123.374 120.500 -0.732 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.771 176.563 176.300 -0.846 0.000 0.990 675 R CA 0.388 56.131 56.100 -0.594 0.000 1.048 675 R CB 0.072 30.099 30.300 -0.455 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.154 107.636 108.800 -1.684 0.000 2.362 676 G HA2 0.033 3.993 3.960 -0.000 0.000 0.288 676 G HA3 0.033 3.993 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 -0.957 43.423 45.100 -1.200 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.102 121.103 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 -0.000 0.000 0.346 677 W C 0.127 176.599 176.519 -0.079 0.000 1.071 677 W CA -0.309 56.979 57.345 -0.094 0.000 1.206 677 W CB 2.443 31.891 29.460 -0.021 0.000 1.413 677 W HN 1.235 nan 8.180 nan 0.000 0.542 678 A N 2.929 125.828 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 678 A C -1.614 175.949 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.480 20.359 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.606 119.201 119.950 -0.238 0.000 2.713 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.311 679 F C -0.243 175.319 175.800 -0.396 0.000 1.141 679 F CA -0.389 57.405 58.000 -0.343 0.000 0.939 679 F CB 1.195 40.048 39.000 -0.244 0.000 1.325 679 F HN 0.679 nan 8.300 nan 0.000 0.453 680 T N -0.466 114.011 114.554 -0.130 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 60.886 62.100 -0.036 0.000 1.061 680 T CB 1.990 70.604 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.251 120.940 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.912 174.442 176.300 0.090 0.000 1.039 681 R CA -0.648 55.573 56.100 0.201 0.000 0.909 681 R CB 0.953 31.276 30.300 0.038 0.000 1.195 681 R HN 0.640 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 -1.174 53.710 54.840 0.074 0.000 0.821 682 L CB 1.886 44.034 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 34.087 32.500 0.023 0.000 1.062 683 K HN 0.587 nan 8.250 nan 0.000 0.465 684 T N 2.069 116.611 114.554 -0.019 0.000 2.759 684 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 684 T C 2.302 176.992 174.700 -0.016 0.000 1.042 684 T CA 2.106 64.193 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 1.744 178.215 176.600 -0.216 0.000 1.049 685 K CA 1.557 57.790 56.287 -0.090 0.000 0.936 685 K CB -0.757 31.671 32.500 -0.121 0.000 0.722 685 K HN 0.669 nan 8.250 nan 0.000 0.446 686 E N 0.236 120.272 120.200 -0.273 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 0.013 56.191 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.316 0.000 1.011 686 E HN 0.362 nan 8.360 nan 0.000 0.474 687 T N 3.450 118.053 114.554 0.082 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.128 174.700 -0.145 0.000 1.140 687 T CA -1.693 60.395 62.100 -0.019 0.000 1.040 687 T CB 1.077 69.880 68.868 -0.109 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.111 nan 4.420 nan 0.000 0.268 688 P C -0.010 177.027 177.300 -0.438 0.000 1.208 688 P CA -0.257 62.300 63.100 -0.907 0.000 0.777 688 P CB 0.560 31.489 31.700 -1.285 0.000 0.875 689 S N 1.460 116.960 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 689 S C 0.938 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.639 57.432 58.200 -0.215 0.000 1.050 689 S CB -0.617 62.508 63.200 -0.125 0.000 0.937 689 S HN 0.343 nan 8.310 nan 0.000 0.490 690 L N 4.420 125.545 121.223 -0.164 0.000 2.640 690 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 690 L C 2.058 178.910 176.870 -0.030 0.000 1.123 690 L CA 0.078 54.870 54.840 -0.081 0.000 0.900 690 L CB -0.208 41.825 42.059 -0.043 0.000 1.146 690 L HN 0.849 nan 8.230 nan 0.000 0.484 691 G N 0.531 109.300 108.800 -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 -3.556 112.140 115.700 -0.007 0.000 2.683 692 S HA 0.404 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 63.940 63.200 -0.031 0.000 1.078 692 S HN 0.510 nan 8.310 nan 0.000 0.456 693 G N -0.235 108.599 108.800 0.056 0.000 2.509 693 G HA2 0.179 4.139 3.960 -0.000 0.000 0.218 693 G HA3 0.179 4.139 3.960 -0.000 0.000 0.218 693 G C -0.040 174.849 174.900 -0.018 0.000 1.124 693 G CA 1.106 46.315 45.100 0.181 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.426 119.640 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.063 173.680 175.900 -0.262 0.000 1.100 694 Y CA -1.588 56.246 58.100 -0.443 0.000 1.034 694 Y CB 2.118 40.035 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.024 127.990 120.400 -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 -2.508 51.191 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 -0.139 nan 4.420 nan 0.000 0.219 696 P C 0.491 177.586 177.300 -0.341 0.000 1.146 696 P CA 1.000 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 0.756 176.703 175.900 0.078 0.000 1.188 697 Y CA -0.993 57.122 58.100 0.025 0.000 1.269 697 Y CB -1.173 37.298 38.460 0.018 0.000 1.094 697 Y HN -0.103 nan 8.280 nan 0.000 0.518 698 Y N 2.442 122.731 120.300 -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 56.719 58.100 -0.004 0.000 1.295 698 Y CB 0.247 38.661 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.127 117.595 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.080 173.532 174.700 -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 0.863 120.814 120.300 -0.582 0.000 2.519 700 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 700 Y C -0.122 175.531 175.900 -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 -0.416 0.000 1.318 700 Y HN 0.225 nan 8.280 nan 0.000 0.452 701 S N 1.878 117.046 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.395 174.604 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.087 63.120 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.057 110.024 108.800 -1.388 0.000 2.509 702 G HA2 0.482 4.442 3.960 -0.000 0.000 0.269 702 G HA3 0.482 4.442 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 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.306 114.537 115.700 0.238 0.000 2.568 703 S HA 0.284 4.754 4.470 -0.000 0.000 0.282 703 S C -0.027 174.796 174.600 0.371 0.000 1.338 703 S CA -0.280 58.068 58.200 0.246 0.000 1.045 703 S CB 0.388 63.714 63.200 0.209 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.300 125.022 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.841 174.364 176.117 0.145 0.000 1.078 704 I CA -2.358 59.106 61.300 0.273 0.000 1.184 704 I CB 1.500 39.665 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 1.565 178.870 177.300 0.009 0.000 1.154 705 P CA 1.633 64.705 63.100 -0.046 0.000 0.872 705 P CB 0.025 31.839 31.700 0.190 0.000 0.790 706 Y N 0.010 120.384 120.300 0.123 0.000 2.256 706 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 706 Y C 1.969 177.918 175.900 0.082 0.000 1.155 706 Y CA 1.558 59.728 58.100 0.118 0.000 1.203 706 Y CB -0.670 37.742 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.820 120.437 121.223 0.055 0.000 2.388 707 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 707 L C 1.650 178.477 176.870 -0.072 0.000 1.061 707 L CA 0.848 55.681 54.840 -0.012 0.000 0.834 707 L CB -0.223 41.904 42.059 0.114 0.000 1.029 707 L HN 0.172 nan 8.230 nan 0.000 0.473 708 D N -0.878 119.453 120.400 -0.115 0.000 2.366 708 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 708 D C 1.470 177.560 176.300 -0.351 0.000 1.022 708 D CA 0.815 54.711 54.000 -0.172 0.000 0.868 708 D CB 0.327 41.062 40.800 -0.109 0.000 0.953 708 D HN 0.163 nan 8.370 nan 0.000 0.514 709 G N 0.233 108.648 108.800 -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 0.668 175.056 174.900 -0.854 0.000 0.984 709 G CA 0.455 44.944 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.365 113.750 114.554 -0.732 0.000 3.624 710 T HA 0.542 4.892 4.350 -0.000 0.000 0.231 710 T C 0.596 175.288 174.700 -0.012 0.000 0.865 710 T CA -0.539 61.163 62.100 -0.662 0.000 0.926 710 T CB -0.652 67.599 68.868 -1.029 0.000 1.189 710 T HN 0.283 nan 8.240 nan 0.000 0.640 711 F N 2.833 122.935 119.950 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 -1.076 57.094 58.000 0.283 0.000 1.286 711 F CB 0.019 39.091 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.491 120.092 120.300 0.471 0.000 2.890 712 Y HA 0.500 5.050 4.550 -0.000 0.000 0.266 712 Y C -0.328 175.765 175.900 0.321 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.768 37.907 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.859 122.032 121.223 -0.085 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.913 177.682 176.870 -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 -0.341 0.000 1.379 713 L HN 0.172 nan 8.230 nan 0.000 0.563 714 N N 0.591 119.326 118.700 0.057 0.000 2.364 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 714 N C 1.663 177.541 175.510 0.614 0.000 1.022 714 N CA 1.044 54.247 53.050 0.255 0.000 0.883 714 N CB -0.098 38.193 38.487 -0.328 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.687 118.593 119.070 0.350 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.077 176.445 175.328 0.067 0.000 0.996 715 H CA 1.171 57.267 56.048 0.079 0.000 1.157 715 H CB -0.483 29.106 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.399 112.037 114.554 -0.197 0.000 3.107 716 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 716 T C 0.249 174.869 174.700 -0.132 0.000 1.096 716 T CA -0.521 61.464 62.100 -0.190 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 1.568 122.045 120.400 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 -1.095 119.290 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.495 175.016 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.150 34.605 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.210 119.579 119.914 -0.209 0.000 2.668 720 V HA 0.775 4.895 4.120 -0.000 0.000 0.304 720 V C -1.143 174.823 176.094 -0.214 0.000 1.071 720 V CA -0.750 61.300 62.300 -0.417 0.000 0.894 720 V CB 1.533 32.972 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 -0.843 176.605 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.503 52.037 -0.166 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 2.304 122.813 120.570 -0.102 0.000 2.404 722 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 722 I C -0.360 175.734 176.117 -0.037 0.000 0.992 722 I CA -0.094 61.105 61.300 -0.168 0.000 1.149 722 I CB 2.366 40.243 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 -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.051 69.915 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 2.399 724 F HA 0.355 4.882 4.527 -0.000 0.000 0.334 724 F C 0.855 176.722 175.800 0.112 0.000 1.097 724 F CA -0.493 57.552 58.000 0.075 0.000 1.076 724 F CB 0.869 39.924 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.521 123.118 120.400 0.327 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 0.227 0.000 0.649 725 D CB -1.279 39.667 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 1.537 176.181 174.600 0.072 0.000 1.304 726 S CA 2.948 61.191 58.200 0.072 0.000 1.224 726 S CB -1.693 61.543 63.200 0.061 0.000 1.480 726 S HN 1.045 nan 8.310 nan 0.000 0.698 727 S N -2.401 113.359 115.700 0.099 0.000 2.918 727 S HA 0.494 4.964 4.470 -0.000 0.000 0.264 727 S C 0.213 174.877 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.075 63.321 63.200 0.075 0.000 0.882 727 S HN 1.027 nan 8.310 nan 0.000 0.466 728 V N 3.287 123.295 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 -0.000 0.000 0.273 728 V C 0.270 176.509 176.094 0.241 0.000 1.045 728 V CA -0.282 62.134 62.300 0.194 0.000 0.976 728 V CB 1.005 32.967 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.146 120.959 115.700 0.188 0.000 2.465 729 S HA 0.385 4.855 4.470 -0.000 0.000 0.279 729 S C -0.824 173.945 174.600 0.281 0.000 1.201 729 S CA -0.557 57.757 58.200 0.189 0.000 1.053 729 S CB 0.134 63.385 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.483 128.912 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.036 174.651 176.519 0.280 0.000 1.062 730 W CA -2.196 55.338 57.345 0.315 0.000 1.210 730 W CB 1.512 31.313 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 1.057 63.479 63.100 -1.130 0.000 0.796 731 P CB 0.315 31.281 31.700 -1.224 0.000 1.068 732 G N 1.649 110.327 108.800 -0.204 0.000 2.594 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G C 0.485 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.474 45.507 45.100 -0.112 0.000 0.974 732 G HN 0.282 nan 8.290 nan 0.000 0.552 733 N N -0.069 118.575 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.733 176.190 175.510 -0.088 0.000 1.097 733 N CA 2.482 55.477 53.050 -0.092 0.000 0.812 733 N CB -0.755 37.661 38.487 -0.117 0.000 1.148 733 N HN 1.361 nan 8.380 nan 0.000 0.572 734 D N -1.825 118.523 120.400 -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 1.155 55.112 54.000 -0.073 0.000 0.805 734 D CB -0.393 40.377 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.362 120.075 120.500 -0.104 0.000 2.062 735 R HA 0.016 4.356 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 0.742 56.794 56.100 -0.080 0.000 0.948 735 R CB -0.256 29.985 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.122 122.275 121.223 -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 42.392 42.059 -0.249 0.000 1.150 736 L HN 0.008 nan 8.230 nan 0.000 0.457 737 L N 0.545 121.656 121.223 -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 1.537 56.223 54.840 -0.257 0.000 0.757 737 L CB -0.485 41.194 42.059 -0.635 0.000 0.899 737 L HN 0.845 nan 8.230 nan 0.000 0.434 738 T N -4.430 110.056 114.554 -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 -1.767 60.304 62.100 -0.049 0.000 1.631 738 T CB 0.656 69.528 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 -1.604 118.500 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.932 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.530 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 -0.273 57.697 58.000 -0.049 0.000 1.154 742 F CB 1.177 40.194 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.089 124.295 120.200 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 -0.168 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 -0.177 3.993 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 0.038 37.384 38.000 -1.090 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.176 120.207 120.400 -0.027 0.000 2.568 745 K HA 0.700 5.020 4.320 -0.000 0.000 0.273 745 K C -0.970 175.694 176.600 0.106 0.000 0.951 745 K CA -0.926 55.442 56.287 0.135 0.000 0.854 745 K CB 1.778 34.458 32.500 0.301 0.000 1.424 745 K HN -0.204 nan 8.250 nan 0.000 0.427 746 R N 0.469 121.047 120.500 0.131 0.000 2.740 746 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 746 R C -0.838 175.522 176.300 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 1.803 117.546 115.700 0.071 0.000 2.461 747 S HA 0.406 4.876 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 -0.594 57.644 58.200 0.063 0.000 1.120 747 S CB 0.359 63.590 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.327 121.271 119.914 0.049 0.000 0.564 748 V HA -0.523 3.597 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 -2.148 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 0.366 120.771 120.400 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 2.063 56.058 54.000 -0.009 0.000 0.864 749 D CB -0.576 40.219 40.800 -0.008 0.000 0.928 749 D HN 1.225 nan 8.370 nan 0.000 0.469 750 G N -1.205 107.589 108.800 -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 1.036 175.937 174.900 0.003 0.000 1.057 750 G CA 0.477 45.558 45.100 -0.032 0.000 0.821 750 G HN 0.187 nan 8.290 nan 0.000 0.526 751 E N 1.655 121.864 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.752 58.176 56.400 0.040 0.000 0.882 751 E CB -0.851 28.865 29.700 0.027 0.000 0.774 751 E HN 0.347 nan 8.360 nan 0.000 0.467 752 G N -0.445 108.363 108.800 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 1.225 176.252 174.900 0.210 0.000 1.113 752 G CA 1.188 46.315 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.973 121.293 120.300 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 -1.120 57.003 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.065 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.533 118.284 118.700 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 2.211 40.769 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.082 118.839 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.441 175.572 176.094 -0.135 0.000 1.310 755 V CA 0.028 62.273 62.300 -0.091 0.000 1.067 755 V CB 1.344 33.048 31.823 -0.198 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.699 124.380 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.056 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 2.039 53.971 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 1.701 nan 8.150 nan 0.000 0.653 757 Q N -4.391 115.407 119.800 -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 1.208 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 2.178 nan 8.270 nan 0.000 0.494 758 C N -2.377 116.983 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.191 176.305 174.990 0.207 0.000 1.694 758 C CA -0.198 58.924 59.018 0.173 0.000 1.244 758 C CB 0.903 28.771 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.676 119.561 118.700 0.308 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 -0.243 38.412 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.649 121.414 119.600 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 0.141 0.000 1.140 760 M CA -0.304 55.102 55.300 0.175 0.000 1.160 760 M CB 0.939 33.547 32.600 0.013 0.000 1.491 760 M HN 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.099 115.744 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.748 175.521 174.700 0.122 0.000 1.004 761 T CA -0.636 61.546 62.100 0.136 0.000 1.043 761 T CB 1.146 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 0.558 121.005 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 762 K C 1.855 178.510 176.600 0.093 0.000 1.049 762 K CA 1.660 57.992 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 0.177 120.597 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.817 176.300 0.048 0.000 0.997 763 D CA 0.923 54.931 54.000 0.013 0.000 0.834 763 D CB -0.280 40.507 40.800 -0.021 0.000 0.956 763 D HN 0.366 nan 8.370 nan 0.000 0.448 764 W N 0.378 121.616 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 764 W C 2.129 178.502 176.519 -0.243 0.000 1.208 764 W CA 0.509 57.743 57.345 -0.184 0.000 1.274 764 W CB -0.543 28.792 29.460 -0.209 0.000 1.138 764 W HN -0.073 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 2.273 177.866 175.800 -0.344 0.000 1.089 765 F CA 1.891 59.667 58.000 -0.373 0.000 1.282 765 F CB -0.942 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 -0.283 120.853 121.223 -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 1.706 56.491 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 -0.274 119.313 119.914 -0.545 0.000 2.358 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 767 V C 2.692 178.292 176.094 -0.822 0.000 1.047 767 V CA 1.636 63.478 62.300 -0.763 0.000 1.035 767 V CB -0.795 30.478 31.823 -0.916 0.000 0.658 767 V HN 0.506 nan 8.190 nan 0.000 0.452 768 Q N -0.909 118.238 119.800 -1.088 0.000 2.084 768 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 768 Q C 2.246 177.756 176.000 -0.815 0.000 0.978 768 Q CA 1.332 56.430 55.803 -1.175 0.000 0.844 768 Q CB -0.451 27.172 28.738 -1.858 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.012 119.176 119.600 -0.687 0.000 2.132 769 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 769 M C 2.301 178.473 176.300 -0.213 0.000 1.065 769 M CA 1.144 56.254 55.300 -0.317 0.000 1.122 769 M CB -0.900 31.495 32.600 -0.341 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.324 120.720 121.223 -0.299 0.000 2.044 770 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 770 L C 2.779 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.154 55.864 54.840 -0.217 0.000 0.747 770 L CB -0.994 40.947 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.063 122.724 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 771 A C 2.106 179.503 177.584 -0.311 0.000 1.176 771 A CA 2.074 53.963 52.037 -0.246 0.000 0.631 771 A CB -0.599 18.214 19.000 -0.310 0.000 0.814 771 A HN 0.507 nan 8.150 nan 0.000 0.446 772 N N -2.109 116.302 118.700 -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 -0.847 0.000 1.019 772 N CA 1.495 54.078 53.050 -0.778 0.000 0.869 772 N CB 0.049 37.799 38.487 -1.228 0.000 1.000 772 N HN 0.674 nan 8.380 nan 0.000 0.431 773 Y N -0.785 119.442 120.300 -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 -0.724 174.754 175.510 -0.055 0.000 1.078 774 N CA 0.823 53.862 53.050 -0.018 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 -0.625 119.881 120.570 -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 0.524 61.683 61.300 -0.236 0.000 1.267 775 I CB 1.496 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 3.979 112.511 108.800 -0.448 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 0.423 174.918 174.900 -0.674 0.000 0.972 776 G CA -0.211 44.454 45.100 -0.726 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.417 121.594 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 -0.000 0.000 0.287 777 Y C 2.172 177.998 175.900 -0.122 0.000 1.128 777 Y CA 1.116 59.130 58.100 -0.143 0.000 1.282 777 Y CB 0.439 38.852 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.069 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.082 176.099 176.000 0.028 0.000 0.899 778 Q CA -0.041 55.781 55.803 0.031 0.000 1.139 778 Q CB 0.949 29.731 28.738 0.072 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.595 109.331 108.800 -0.106 0.000 2.690 779 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G C -1.116 173.697 174.900 -0.145 0.000 1.277 779 G CA -1.037 44.018 45.100 -0.074 0.000 0.799 779 G HN 0.157 nan 8.290 nan 0.000 0.613 780 F N 1.232 121.246 119.950 0.107 0.000 2.421 780 F HA 0.825 5.352 4.527 -0.000 0.000 0.337 780 F C 0.706 176.554 175.800 0.079 0.000 1.105 780 F CA -0.236 57.761 58.000 -0.005 0.000 1.049 780 F CB 1.629 40.713 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.187 120.193 120.300 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 -2.125 55.964 58.100 -0.018 0.000 1.055 781 Y CB 0.456 38.891 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.308 124.806 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 782 I C -2.021 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.477 59.513 61.300 -0.518 0.000 1.420 782 I CB 0.358 38.175 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 -0.225 176.850 177.300 -0.376 0.000 1.215 783 P CA -0.209 62.508 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 0.972 120.994 120.200 -0.297 0.000 2.415 784 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 784 E C 1.337 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.230 56.466 56.400 -0.273 0.000 0.915 784 E CB -0.721 28.780 29.700 -0.333 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.017 116.634 115.700 -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 -0.961 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 1.788 122.102 120.300 0.024 0.000 2.497 786 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.518 58.639 58.100 0.034 0.000 1.285 786 Y CB -0.529 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 -0.311 119.825 120.400 -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 0.587 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 2.305 122.740 120.400 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 -0.311 53.794 54.000 0.175 0.000 0.964 788 D CB 0.318 41.144 40.800 0.043 0.000 1.011 788 D HN -0.005 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 0.272 4.612 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 -0.780 55.359 56.100 0.065 0.000 1.120 789 R CB -0.109 30.233 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 0.613 176.734 176.300 -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 0.446 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 0.299 4.849 4.550 -0.000 0.000 0.283 791 Y C 0.836 176.786 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.393 38.104 38.460 0.062 0.000 1.112 791 Y HN 0.024 nan 8.280 nan 0.000 0.521 792 S N 0.063 115.877 115.700 0.190 0.000 2.645 792 S HA 0.077 4.547 4.470 -0.000 0.000 0.266 792 S C 0.951 175.698 174.600 0.243 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.583 63.932 63.200 0.248 0.000 0.967 792 S HN 0.390 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 -0.055 4.472 4.527 -0.000 0.000 0.293 793 F C 1.849 177.816 175.800 0.278 0.000 1.142 793 F CA 1.420 59.511 58.000 0.153 0.000 1.177 793 F CB -0.819 38.213 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.553 121.395 119.950 -0.180 0.000 2.043 794 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 794 F C 2.839 178.573 175.800 -0.109 0.000 1.121 794 F CA 2.562 60.392 58.000 -0.284 0.000 1.199 794 F CB -0.715 38.225 39.000 -0.099 0.000 0.968 794 F HN 0.061 nan 8.300 nan 0.000 0.478 795 R N 0.503 121.066 120.500 0.106 0.000 2.170 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 795 R C 1.343 177.596 176.300 -0.077 0.000 1.145 795 R CA 2.094 58.205 56.100 0.019 0.000 0.984 795 R CB -0.494 29.857 30.300 0.086 0.000 0.869 795 R HN 0.348 nan 8.270 nan 0.000 0.455 796 N N -0.661 118.004 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.724 174.783 175.510 -0.005 0.000 1.114 796 N CA -0.016 53.030 53.050 -0.006 0.000 0.859 796 N CB 0.298 38.836 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.127 122.864 119.950 -0.354 0.000 2.472 797 F HA 0.178 4.705 4.527 -0.000 0.000 0.364 797 F C -0.139 175.524 175.800 -0.228 0.000 1.090 797 F CA -0.185 57.614 58.000 -0.335 0.000 1.188 797 F CB 0.549 39.132 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.615 128.096 119.800 -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 -0.481 0.000 0.997 798 Q CA -1.981 53.537 55.803 -0.474 0.000 0.709 798 Q CB 1.623 30.240 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 62.670 63.100 -0.324 0.000 0.794 799 P CB 1.006 32.513 31.700 -0.322 0.000 0.940 800 M N 1.122 120.720 119.600 -0.003 0.000 2.572 800 M HA 0.533 5.013 4.480 -0.000 0.000 0.299 800 M C -0.305 176.179 176.300 0.306 0.000 1.205 800 M CA -0.312 55.046 55.300 0.097 0.000 0.876 800 M CB 2.601 35.177 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.382 116.323 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.500 173.182 174.600 0.137 0.000 1.135 801 S CA -0.936 57.452 58.200 0.313 0.000 0.858 801 S CB 2.585 65.867 63.200 0.137 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 -2.231 173.855 176.300 -0.357 0.000 1.032 802 R CA -0.939 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.686 30.429 30.300 -0.928 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.371 119.997 119.800 -0.290 0.000 2.377 803 Q HA 0.681 5.021 4.340 -0.000 0.000 0.271 803 Q C -1.127 174.739 176.000 -0.224 0.000 1.077 803 Q CA -0.752 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.943 31.594 28.738 -0.145 0.000 1.347 803 Q HN 0.601 nan 8.270 nan 0.000 0.444 804 V N -1.744 118.059 119.914 -0.187 0.000 3.078 804 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 804 V C -0.268 175.741 176.094 -0.142 0.000 1.138 804 V CA -1.373 60.836 62.300 -0.152 0.000 1.007 804 V CB 1.394 33.132 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.052 119.889 119.914 -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 0.295 62.472 62.300 -0.206 0.000 1.161 805 V CB 0.207 31.896 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.751 124.029 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.349 53.543 54.000 -0.181 0.000 0.882 806 D CB 0.991 41.724 40.800 -0.111 0.000 1.038 806 D HN 0.783 nan 8.370 nan 0.000 0.499 807 D N 1.593 121.732 120.400 -0.435 0.000 2.265 807 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 807 D C 1.343 177.443 176.300 -0.333 0.000 0.977 807 D CA 0.961 54.503 54.000 -0.763 0.000 0.871 807 D CB -0.312 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 -4.211 110.237 114.554 -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 0.750 62.801 62.100 -0.082 0.000 0.964 808 T CB 0.307 69.138 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.050 120.429 120.400 -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 0.052 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 3.258 123.504 120.300 -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 -0.075 0.000 1.321 810 Y CB 0.352 38.727 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 1.061 177.427 176.600 -0.389 0.000 1.051 811 K CA 2.525 58.645 56.287 -0.278 0.000 0.929 811 K CB -0.727 31.656 32.500 -0.195 0.000 0.715 811 K HN 0.804 nan 8.250 nan 0.000 0.451 812 D N -1.562 118.345 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.095 176.201 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.626 39.917 40.800 -0.429 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.352 122.426 120.300 -0.376 0.000 2.904 813 Y HA -0.077 4.473 4.550 -0.000 0.000 0.336 813 Y C 0.073 176.051 175.900 0.129 0.000 1.263 813 Y CA 0.566 58.686 58.100 0.033 0.000 1.547 813 Y CB 0.366 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 5.430 124.850 119.800 -0.633 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 54.771 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 2.262 121.748 119.800 -0.523 0.000 2.452 815 Q HA 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.022 174.965 176.000 -0.020 0.000 1.180 815 Q CA -0.060 55.647 55.803 -0.159 0.000 0.914 815 Q CB 0.259 29.049 28.738 0.086 0.000 1.408 815 Q HN 0.309 nan 8.270 nan 0.000 0.520 816 V N 3.528 123.447 119.914 0.009 0.000 2.370 816 V HA 0.632 4.752 4.120 -0.000 0.000 0.283 816 V C 0.798 176.878 176.094 -0.024 0.000 1.023 816 V CA -0.535 61.771 62.300 0.009 0.000 0.857 816 V CB 1.286 33.094 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.589 111.385 108.800 -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 0.865 175.671 174.900 -0.155 0.000 1.237 817 G CA -0.538 44.525 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.670 119.805 120.570 -0.158 0.000 2.194 818 I HA -0.203 3.967 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 62.372 61.300 -0.170 0.000 1.355 818 I CB -0.811 37.117 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.140 120.938 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.744 178.350 176.870 -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 40.931 42.059 -0.557 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 0.024 175.345 175.328 -0.011 0.000 1.148 820 H CA -0.419 55.653 56.048 0.041 0.000 1.146 820 H CB 0.479 30.247 29.762 0.011 0.000 1.607 820 H HN 0.299 nan 8.280 nan 0.000 0.566 821 Q N 2.145 121.934 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.354 175.659 176.000 0.020 0.000 0.915 821 Q CA -0.541 55.168 55.803 -0.155 0.000 0.915 821 Q CB 1.083 29.537 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.977 120.078 119.070 0.051 0.000 2.744 822 H HA 0.529 5.085 4.556 -0.000 0.000 0.339 822 H C -1.433 173.956 175.328 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 0.865 39.339 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 -0.576 175.176 175.510 0.405 0.000 0.969 824 N CA 1.070 54.337 53.050 0.362 0.000 0.941 824 N CB -1.447 37.218 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 1.623 176.217 174.600 -0.010 0.000 1.292 825 S CA 1.233 59.518 58.200 0.142 0.000 1.063 825 S CB 1.292 64.541 63.200 0.081 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.254 110.948 108.800 -0.176 0.000 2.225 826 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.254 826 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.254 826 G C 0.192 174.654 174.900 -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 -0.433 119.531 119.950 0.023 0.000 2.767 827 F HA 0.657 5.184 4.527 -0.000 0.000 0.323 827 F C 0.817 176.620 175.800 0.005 0.000 1.091 827 F CA -0.242 57.767 58.000 0.015 0.000 1.192 827 F CB 1.131 40.147 39.000 0.026 0.000 1.056 827 F HN 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.403 119.591 119.914 0.133 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.257 176.369 176.094 0.029 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.921 33.807 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.777 109.571 108.800 -0.010 0.000 2.569 829 G HA2 0.326 4.286 3.960 -0.000 0.000 0.249 829 G HA3 0.326 4.286 3.960 -0.000 0.000 0.249 829 G C -1.258 173.679 174.900 0.061 0.000 1.216 829 G CA 0.009 45.101 45.100 -0.014 0.000 0.845 829 G HN 0.649 nan 8.290 nan 0.000 0.568 830 Y N 1.415 121.679 120.300 -0.061 0.000 2.383 830 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 830 Y C 1.041 176.933 175.900 -0.013 0.000 0.986 830 Y CA -1.006 57.071 58.100 -0.037 0.000 1.175 830 Y CB 0.372 38.800 38.460 -0.052 0.000 1.152 830 Y HN 0.523 nan 8.280 nan 0.000 0.511 831 L N 4.046 125.007 121.223 -0.437 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.118 176.723 176.870 -0.050 0.000 1.177 831 L CA 0.963 55.591 54.840 -0.354 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 -2.593 174.917 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.932 19.948 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 0.490 177.666 177.300 -0.208 0.000 1.668 833 P CA 0.545 63.453 63.100 -0.320 0.000 0.898 833 P CB -0.669 30.790 31.700 -0.401 0.000 1.637 834 T N -4.043 110.421 114.554 -0.150 0.000 2.902 834 T HA 0.403 4.753 4.350 -0.000 0.000 0.287 834 T C 0.606 175.221 174.700 -0.143 0.000 1.048 834 T CA -1.025 60.989 62.100 -0.144 0.000 0.941 834 T CB 0.367 69.143 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.665 121.169 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 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 -0.587 54.631 55.300 -0.137 0.000 1.117 835 M CB 0.484 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 2.940 123.391 120.500 -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 0.031 56.092 56.100 -0.066 0.000 1.128 836 R CB -0.006 30.271 30.300 -0.039 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.576 119.565 120.200 -0.099 0.000 2.439 837 E HA 0.602 4.952 4.350 -0.000 0.000 0.279 837 E C -0.390 176.124 176.600 -0.145 0.000 1.077 837 E CA -1.059 55.268 56.400 -0.121 0.000 0.849 837 E CB 0.811 30.447 29.700 -0.106 0.000 1.408 837 E HN 0.840 nan 8.360 nan 0.000 0.457 838 G N 0.522 109.223 108.800 -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 -1.155 173.621 174.900 -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 2.276 nan 8.270 nan 0.000 0.398 840 A N 1.297 124.070 122.820 -0.078 0.000 2.555 840 A HA 0.399 4.719 4.320 -0.000 0.000 0.233 840 A C -1.098 176.643 177.584 0.261 0.000 1.060 840 A CA 0.707 52.829 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 0.379 120.732 120.300 0.089 0.000 2.554 841 Y HA 0.337 4.887 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 -1.260 56.874 58.100 0.056 0.000 1.255 841 Y CB 1.315 39.746 38.460 -0.048 0.000 1.346 841 Y HN 0.636 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.628 176.810 177.300 0.230 0.000 1.183 842 P CA 0.337 63.458 63.100 0.035 0.000 0.761 842 P CB 0.365 32.018 31.700 -0.078 0.000 0.785 843 A N 3.550 126.457 122.820 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 -0.067 118.513 118.700 -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 -0.185 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 0.351 120.071 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.989 172.527 175.800 -0.474 0.000 1.120 845 F CA -1.351 56.402 58.000 -0.412 0.000 0.978 845 F CB 1.605 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 -0.074 119.955 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 847 Y C -1.365 174.395 175.900 -0.233 0.000 1.157 847 Y CA -1.412 56.538 58.100 -0.251 0.000 1.372 847 Y CB -0.870 37.469 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.144 nan 4.420 nan 0.000 0.276 848 P C -0.051 177.202 177.300 -0.078 0.000 1.253 848 P CA 0.126 63.198 63.100 -0.047 0.000 0.766 848 P CB 0.743 32.425 31.700 -0.030 0.000 0.845 849 L N 2.899 124.074 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.068 177.894 176.870 -0.073 0.000 1.123 849 L CA 0.116 54.900 54.840 -0.093 0.000 0.900 849 L CB -0.178 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 -4.010 116.526 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.352 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.693 60.583 61.300 -0.042 0.000 0.985 850 I CB 1.701 39.682 38.000 -0.032 0.000 1.240 850 I HN -0.026 nan 8.210 nan 0.000 0.464 851 G N 2.092 110.877 108.800 -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 -0.056 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.030 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.867 119.528 120.400 -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 69.156 68.868 0.025 0.000 1.053 853 T HN 0.218 nan 8.240 nan 0.000 0.533 854 A N 1.934 124.732 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.768 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.073 51.914 52.037 -0.084 0.000 0.753 854 A CB -0.187 18.769 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.785 120.527 119.914 -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 60.807 62.300 -0.540 0.000 1.064 855 V CB 0.729 31.841 31.823 -1.184 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.726 122.989 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 856 D C 0.455 176.659 176.300 -0.160 0.000 1.154 856 D CA 0.683 54.620 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 0.521 121.027 120.570 -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 2.388 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 5.793 120.305 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.630 174.043 174.700 -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 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.988 121.746 119.800 -0.069 0.000 2.321 860 Q HA 0.487 4.827 4.340 -0.000 0.000 0.270 860 Q C -0.975 175.122 176.000 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 31.049 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 0.238 0.000 2.371 861 K HA 0.638 4.958 4.320 -0.000 0.000 0.251 861 K C -0.771 175.990 176.600 0.268 0.000 0.934 861 K CA -0.903 55.554 56.287 0.283 0.000 0.798 861 K CB 2.337 34.953 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.470 121.005 120.400 0.224 0.000 2.491 862 K HA 0.597 4.917 4.320 -0.000 0.000 0.275 862 K C -1.495 175.203 176.600 0.162 0.000 0.982 862 K CA -0.994 55.359 56.287 0.109 0.000 0.794 862 K CB 1.222 33.665 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.331 118.609 119.950 -0.017 0.000 2.744 863 F HA 0.649 5.176 4.527 -0.000 0.000 0.311 863 F C -2.376 173.420 175.800 -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 39.937 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.022 123.344 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.632 176.497 176.870 0.431 0.000 1.010 864 L CA -0.835 54.079 54.840 0.123 0.000 0.818 864 L CB 1.800 43.825 42.059 -0.056 0.000 1.306 864 L HN 1.030 nan 8.230 nan 0.000 0.430 865 C N 2.036 121.598 119.300 0.437 0.000 3.173 865 C HA 0.293 4.753 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 -0.847 58.407 59.018 0.394 0.000 1.109 865 C CB -1.017 27.066 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.547 122.121 120.400 0.291 0.000 2.354 866 D HA 0.102 4.742 4.640 -0.000 0.000 0.238 866 D C 1.041 177.550 176.300 0.350 0.000 1.250 866 D CA 0.371 54.593 54.000 0.371 0.000 0.911 866 D CB 0.391 41.471 40.800 0.467 0.000 1.163 866 D HN 0.710 nan 8.370 nan 0.000 0.456 867 R N -1.385 119.394 120.500 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 0.977 57.357 56.100 0.467 0.000 0.662 867 R CB -2.372 28.180 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 -1.062 173.575 174.700 -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 70.231 68.868 0.100 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.836 122.932 121.223 -0.212 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.585 176.042 176.870 -0.405 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.442 0.000 0.817 869 L CB 1.673 43.498 42.059 -0.390 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.836 123.790 121.300 -0.576 0.000 2.181 870 W HA 0.326 4.986 4.660 -0.000 0.000 0.335 870 W C 0.293 176.441 176.519 -0.618 0.000 1.310 870 W CA -0.477 56.478 57.345 -0.649 0.000 1.226 870 W CB 0.607 29.348 29.460 -1.198 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.245 123.639 120.500 -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 -0.951 55.034 56.100 -0.193 0.000 0.898 871 R CB 1.852 32.020 30.300 -0.221 0.000 1.183 871 R HN 0.424 nan 8.270 nan 0.000 0.456 872 I N 3.664 124.239 120.570 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 -2.194 59.180 61.300 0.123 0.000 1.103 872 I CB 1.870 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 0.078 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 -0.217 63.021 63.100 0.231 0.000 0.781 873 P CB 0.660 32.460 31.700 0.166 0.000 0.906 874 F N 2.308 122.210 119.950 -0.080 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.395 176.225 175.800 0.049 0.000 1.192 874 F CA -0.150 57.788 58.000 -0.104 0.000 1.317 874 F CB -0.562 38.125 39.000 -0.522 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.267 116.044 115.700 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 -0.095 0.000 1.098 875 S CA -0.043 58.153 58.200 -0.007 0.000 0.999 875 S CB 1.271 64.492 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.555 119.167 115.700 -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 59.974 58.200 -0.212 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 -0.784 117.777 118.700 -0.232 0.000 2.238 877 N HA 0.220 4.960 4.740 -0.000 0.000 0.235 877 N C -0.013 175.523 175.510 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 -1.368 118.647 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.452 176.266 175.800 0.024 0.000 0.639 878 F CA 0.618 58.665 58.000 0.079 0.000 1.153 878 F CB -2.047 36.975 39.000 0.037 0.000 1.610 878 F HN 0.122 nan 8.300 nan 0.000 0.305 879 M N -0.276 119.428 119.600 0.174 0.000 2.283 879 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 879 M C 0.683 177.014 176.300 0.051 0.000 1.153 879 M CA -0.101 55.261 55.300 0.102 0.000 1.084 879 M CB 0.806 33.476 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.039 117.753 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.224 174.832 174.600 0.013 0.000 1.093 880 S CA -0.452 57.750 58.200 0.002 0.000 1.077 880 S CB 0.175 63.362 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.264 121.872 119.600 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 0.914 33.520 32.600 0.010 0.000 1.472 881 M HN 0.815 nan 8.290 nan 0.000 0.539 882 G N -0.190 108.619 108.800 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 0.093 175.015 174.900 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 1.651 179.376 177.584 0.236 0.000 1.188 883 A CA 2.192 54.278 52.037 0.081 0.000 0.631 883 A CB -0.296 18.787 19.000 0.138 0.000 0.822 883 A HN 1.810 nan 8.150 nan 0.000 0.447 884 L N 2.109 123.503 121.223 0.286 0.000 2.334 884 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 884 L C 0.862 177.808 176.870 0.127 0.000 1.108 884 L CA 0.276 55.274 54.840 0.263 0.000 0.875 884 L CB -0.303 41.801 42.059 0.075 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.031 114.594 114.554 0.118 0.000 2.795 885 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 885 T C 1.125 175.847 174.700 0.037 0.000 1.069 885 T CA 0.250 62.382 62.100 0.053 0.000 1.071 885 T CB 0.546 69.431 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.507 121.905 120.400 -0.004 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.075 178.364 176.300 -0.019 0.000 0.982 886 D CA 1.186 55.178 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 -0.107 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 40.698 42.059 -0.902 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.189 108.692 108.800 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 1.343 176.372 174.900 0.216 0.000 1.114 888 G CA 0.690 45.960 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.222 119.667 119.800 0.148 0.000 2.194 889 Q HA 0.136 4.476 4.340 -0.000 0.000 0.214 889 Q C 0.268 176.339 176.000 0.120 0.000 0.838 889 Q CA -0.600 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 1.625 120.430 118.700 0.174 0.000 2.492 890 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 890 N C 1.011 176.603 175.510 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 3.055 124.315 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 891 L C 2.198 179.077 176.870 0.015 0.000 1.080 891 L CA 1.146 56.011 54.840 0.041 0.000 0.754 891 L CB -0.410 41.660 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.838 119.341 121.223 -0.073 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 1.756 56.462 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.096 nan 8.230 nan 0.000 0.441 893 Y N -0.827 119.513 120.300 0.067 0.000 2.462 893 Y HA 0.463 5.013 4.550 -0.000 0.000 0.261 893 Y C 2.248 178.259 175.900 0.185 0.000 1.146 893 Y CA 0.306 58.471 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 0.540 52.676 52.037 0.165 0.000 0.728 894 A CB -0.258 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 0.096 175.637 175.510 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 -2.283 113.475 115.700 0.096 0.000 2.587 896 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 896 S C -1.171 173.489 174.600 0.101 0.000 1.154 896 S CA -1.070 57.153 58.200 0.038 0.000 0.824 896 S CB 1.477 64.637 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.403 124.213 122.820 -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 -0.096 0.000 1.132 897 A CA -0.448 51.635 52.037 0.076 0.000 0.819 897 A CB 0.271 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 -0.277 119.027 119.070 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 -0.218 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 1.871 124.961 122.820 0.449 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.994 176.727 177.584 0.228 0.000 1.146 899 A CA -0.537 51.694 52.037 0.324 0.000 0.827 899 A CB 1.023 20.134 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.193 122.498 121.223 0.137 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.607 175.225 176.870 -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 6.361 126.672 120.400 -0.148 0.000 2.505 901 D HA 0.508 5.148 4.640 -0.000 0.000 0.249 901 D C -0.870 175.330 176.300 -0.167 0.000 1.082 901 D CA -0.208 53.736 54.000 -0.093 0.000 0.839 901 D CB 2.323 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 0.985 120.496 119.600 -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 -0.567 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.662 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 -0.350 0.000 2.906 903 T HA 0.584 4.934 4.350 -0.000 0.000 0.302 903 T C -1.026 173.472 174.700 -0.337 0.000 1.002 903 T CA -0.389 61.580 62.100 -0.219 0.000 0.988 903 T CB 0.479 69.269 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 0.914 176.676 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.363 40.323 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.667 122.945 120.200 0.131 0.000 2.185 905 E HA 0.552 4.902 4.350 -0.000 0.000 0.261 905 E C -1.363 175.254 176.600 0.029 0.000 0.879 905 E CA -0.620 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 -1.061 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 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.618 122.944 120.400 -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 41.930 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 62.895 63.100 -0.026 0.000 0.789 908 P CB 0.730 32.426 31.700 -0.007 0.000 0.933 909 M N 1.929 121.519 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.247 176.551 176.300 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 0.661 121.075 120.400 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 -1.453 118.753 120.200 0.009 0.000 2.390 911 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 911 E C -3.179 173.417 176.600 -0.005 0.000 0.939 911 E CA -2.557 53.845 56.400 0.004 0.000 0.769 911 E CB 1.526 31.233 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 0.282 63.374 63.100 -0.013 0.000 0.765 912 P CB 0.767 32.457 31.700 -0.017 0.000 0.828 913 T N 0.745 115.289 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.680 174.015 174.700 -0.008 0.000 1.025 913 T CA -0.887 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.907 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.639 121.866 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 914 L C -1.311 175.608 176.870 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 44.333 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.852 124.142 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 915 L C -1.103 175.926 176.870 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 42.585 42.059 -0.062 0.000 1.197 915 L HN 0.432 nan 8.230 nan 0.000 0.427 916 Y N 6.059 126.432 120.300 0.121 0.000 2.404 916 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 916 Y C -1.056 174.923 175.900 0.132 0.000 0.970 916 Y CA -1.286 56.897 58.100 0.139 0.000 1.180 916 Y CB 0.868 39.414 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 1.626 33.530 31.823 0.135 0.000 0.985 917 V HN 0.576 nan 8.190 nan 0.000 0.436 918 L N 4.933 126.043 121.223 -0.189 0.000 2.265 918 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 918 L C -0.894 175.878 176.870 -0.162 0.000 1.033 918 L CA -0.089 54.670 54.840 -0.135 0.000 0.814 918 L CB 1.114 43.034 42.059 -0.233 0.000 1.203 918 L HN 0.524 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 0.224 4.751 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 -0.599 57.360 58.000 -0.068 0.000 1.151 919 F CB 0.674 39.462 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.585 123.716 120.200 -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 -0.216 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.886 30.352 29.700 -0.392 0.000 0.986 920 E HN 0.485 nan 8.360 nan 0.000 0.446 921 V N -0.082 119.716 119.914 -0.193 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.342 174.566 176.094 -0.310 0.000 1.412 921 V CA -1.157 61.088 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 5.221 4.527 -0.000 0.000 0.352 922 F C -0.064 175.728 175.800 -0.013 0.000 1.123 922 F CA -0.183 57.800 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 3.980 124.402 120.400 0.038 0.000 2.438 923 D HA 0.473 5.113 4.640 -0.000 0.000 0.257 923 D C -1.082 175.213 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.108 41.787 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.193 122.231 119.914 0.207 0.000 3.001 924 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 924 V C -0.102 176.155 176.094 0.272 0.000 1.099 924 V CA -0.852 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 1.808 121.834 119.914 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 -0.106 0.000 0.930 925 V CB 2.112 33.691 31.823 -0.407 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 -1.750 174.542 176.300 -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 4.677 124.607 119.914 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 61.728 62.300 0.076 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 5.513 124.592 119.070 0.015 0.000 2.466 928 H HA 0.553 5.109 4.556 -0.000 0.000 0.338 928 H C -0.426 174.916 175.328 0.024 0.000 1.091 928 H CA -0.830 55.224 56.048 0.010 0.000 1.207 928 H CB 1.372 31.139 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 -1.695 54.254 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 -0.147 nan 4.420 nan 0.000 0.216 930 P C -0.519 176.345 177.300 -0.727 0.000 1.153 930 P CA 1.507 64.201 63.100 -0.678 0.000 0.858 930 P CB 0.268 31.656 31.700 -0.520 0.000 0.789 931 H N -3.855 115.178 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.006 175.316 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.916 56.048 -0.024 0.000 1.124 931 H CB 0.864 30.620 29.762 -0.011 0.000 1.866 931 H HN -0.245 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 0.310 176.610 176.300 -0.000 0.000 0.953 932 R CA 1.409 57.542 56.100 0.054 0.000 1.098 932 R CB -0.517 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 2.603 111.354 108.800 -0.083 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 -0.387 174.469 174.900 -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 1.116 121.078 119.914 0.080 0.000 2.488 934 V HA 0.565 4.685 4.120 -0.000 0.000 0.293 934 V C 0.169 176.354 176.094 0.152 0.000 1.027 934 V CA -0.763 61.609 62.300 0.120 0.000 0.862 934 V CB 1.646 33.544 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.205 123.883 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.911 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.679 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 4.559 124.844 120.200 0.143 0.000 2.183 936 E HA 0.569 4.919 4.350 -0.000 0.000 0.271 936 E C -0.598 176.090 176.600 0.147 0.000 0.919 936 E CA -0.750 55.746 56.400 0.160 0.000 0.781 936 E CB 2.447 32.263 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.592 113.047 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.556 174.209 174.700 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 70.249 68.868 0.084 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.681 122.606 119.914 0.018 0.000 2.380 938 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 938 V C -1.388 174.730 176.094 0.039 0.000 1.015 938 V CA -0.905 61.438 62.300 0.071 0.000 0.834 938 V CB 0.418 32.267 31.823 0.044 0.000 1.009 938 V HN 0.887 nan 8.190 nan 0.000 0.428 939 Y N 4.939 125.309 120.300 0.116 0.000 2.334 939 Y HA 0.745 5.295 4.550 -0.000 0.000 0.328 939 Y C -0.107 175.871 175.900 0.130 0.000 1.130 939 Y CA -0.821 57.370 58.100 0.152 0.000 1.163 939 Y CB 1.762 40.329 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.479 125.878 121.223 0.293 0.000 2.516 940 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 940 L C -1.385 175.614 176.870 0.215 0.000 0.957 940 L CA -0.801 54.160 54.840 0.203 0.000 0.860 940 L CB 1.562 43.697 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 0.731 5.071 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 31.564 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.261 116.934 114.554 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 -1.888 60.325 62.100 0.188 0.000 0.996 942 T CB 2.322 71.260 68.868 0.117 0.000 1.070 942 T HN 0.227 nan 8.240 nan 0.000 0.465 943 P HA 0.437 nan 4.420 nan 0.000 0.312 943 P C -0.232 177.209 177.300 0.235 0.000 1.307 943 P CA -0.581 62.608 63.100 0.148 0.000 0.738 943 P CB -0.130 31.569 31.700 -0.002 0.000 1.422 944 F N -3.043 116.798 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.197 175.960 175.800 -0.063 0.000 1.002 944 F CA 0.190 58.094 58.000 -0.160 0.000 0.978 944 F CB -2.782 36.130 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.067 115.786 115.700 0.031 0.000 2.562 945 S HA 0.642 5.112 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 -0.330 57.903 58.200 0.056 0.000 1.052 945 S CB 1.401 64.613 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