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_J 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 0.000 175.621 176.300 -1.131 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.305 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.568 119.726 119.600 -0.736 0.000 5.905 6 M HA -0.275 4.205 4.480 -0.000 0.000 0.326 6 M C -0.284 175.925 176.300 -0.152 0.000 0.705 6 M CA 2.896 58.018 55.300 -0.297 0.000 0.949 6 M CB -2.936 29.572 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 1.449 178.760 177.300 0.018 0.000 1.151 7 P CA 2.443 65.512 63.100 -0.053 0.000 0.953 7 P CB -0.477 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.188 117.613 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.471 176.000 0.276 0.000 0.982 8 Q CA 1.537 57.415 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.248 122.556 121.300 0.014 0.000 2.333 9 W HA -0.164 4.496 4.660 -0.000 0.000 0.316 9 W C 2.634 179.143 176.519 -0.017 0.000 1.215 9 W CA 1.341 58.691 57.345 0.009 0.000 1.278 9 W CB -1.246 28.225 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.044 114.785 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.157 0.000 1.029 10 S CA 1.303 59.545 58.200 0.070 0.000 0.988 10 S CB -1.305 61.945 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.144 122.329 120.300 -0.191 0.000 2.128 11 Y HA -0.072 4.478 4.550 -0.000 0.000 0.284 11 Y C 2.119 177.744 175.900 -0.459 0.000 1.154 11 Y CA 1.440 59.361 58.100 -0.298 0.000 1.149 11 Y CB -0.243 38.132 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 -0.019 4.461 4.480 -0.000 0.000 0.240 12 M C 0.073 176.287 176.300 -0.144 0.000 1.123 12 M CA 0.893 56.103 55.300 -0.150 0.000 1.060 12 M CB -1.124 31.506 32.600 0.051 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.972 117.061 119.070 -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 0.828 56.845 56.048 -0.052 0.000 1.136 13 H CB -2.259 27.449 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.453 121.053 120.570 0.050 0.000 2.493 14 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 14 I C 1.460 177.540 176.117 -0.062 0.000 1.160 14 I CA 1.513 62.772 61.300 -0.068 0.000 1.445 14 I CB 0.195 38.049 38.000 -0.244 0.000 1.086 14 I HN 0.420 nan 8.210 nan 0.000 0.433 15 S N -1.473 114.268 115.700 0.069 0.000 2.705 15 S HA 0.829 5.299 4.470 -0.000 0.000 0.280 15 S C -0.122 174.585 174.600 0.178 0.000 1.174 15 S CA -0.158 58.116 58.200 0.123 0.000 0.823 15 S CB 1.521 64.845 63.200 0.207 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.717 109.620 108.800 0.172 0.000 2.466 16 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 16 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 16 G C -0.959 174.053 174.900 0.188 0.000 1.237 16 G CA -0.168 45.039 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.463 120.407 119.800 0.240 0.000 2.382 17 Q HA 0.504 4.844 4.340 -0.000 0.000 0.229 17 Q C -0.606 175.563 176.000 0.281 0.000 1.006 17 Q CA -0.423 55.523 55.803 0.238 0.000 0.916 17 Q CB 0.690 29.574 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.369 120.079 120.400 0.081 0.000 2.283 18 D HA 0.195 4.835 4.640 -0.000 0.000 0.248 18 D C 0.591 176.608 176.300 -0.471 0.000 1.072 18 D CA -0.047 53.908 54.000 -0.076 0.000 0.929 18 D CB 1.401 42.151 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.436 123.823 122.820 -0.722 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.027 179.128 177.584 -0.806 0.000 1.178 19 A CA 2.611 53.902 52.037 -1.243 0.000 0.642 19 A CB -0.772 17.851 19.000 -0.629 0.000 0.816 19 A HN 0.586 nan 8.150 nan 0.000 0.453 20 S N -0.080 115.358 115.700 -0.435 0.000 2.419 20 S HA -0.187 4.283 4.470 -0.000 0.000 0.233 20 S C 1.464 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.504 59.538 58.200 -0.277 0.000 0.974 20 S CB -0.363 62.735 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.335 120.402 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.860 178.437 176.600 -0.039 0.000 0.964 21 E CA 0.701 57.043 56.400 -0.096 0.000 0.868 21 E CB -0.299 29.387 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.881 121.153 120.300 -0.046 0.000 2.365 22 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 22 Y C 0.810 176.673 175.900 -0.062 0.000 1.119 22 Y CA -0.159 57.927 58.100 -0.025 0.000 1.203 22 Y CB -0.507 37.978 38.460 0.042 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.852 122.969 121.223 -0.176 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.009 177.822 176.870 -0.095 0.000 1.209 23 L CA -0.289 54.462 54.840 -0.149 0.000 0.817 23 L CB 0.456 42.260 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.825 116.480 115.700 -0.074 0.000 2.585 24 S HA 0.176 4.646 4.470 -0.000 0.000 0.273 24 S C -1.798 172.764 174.600 -0.064 0.000 1.339 24 S CA -1.069 57.103 58.200 -0.046 0.000 1.028 24 S CB 1.024 64.208 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.034 nan 4.420 nan 0.000 0.217 25 P C 1.700 178.990 177.300 -0.018 0.000 1.150 25 P CA 1.581 64.661 63.100 -0.034 0.000 0.832 25 P CB -0.547 31.141 31.700 -0.019 0.000 0.787 26 G N 0.324 109.120 108.800 -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 1.480 176.407 174.900 0.044 0.000 1.158 26 G CA 0.634 45.748 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.798 122.013 121.223 -0.013 0.000 2.046 27 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 27 L C 2.906 179.773 176.870 -0.005 0.000 1.077 27 L CA 1.413 56.233 54.840 -0.033 0.000 0.747 27 L CB -0.586 41.395 42.059 -0.131 0.000 0.896 27 L HN 0.076 nan 8.230 nan 0.000 0.432 28 V N -0.095 119.778 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.108 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.377 64.629 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 0.720 nan 8.190 nan 0.000 0.447 29 Q N -0.860 118.950 119.800 0.017 0.000 2.030 29 Q HA -0.319 4.021 4.340 -0.000 0.000 0.204 29 Q C 2.056 178.092 176.000 0.059 0.000 0.986 29 Q CA 2.348 58.168 55.803 0.028 0.000 0.843 29 Q CB -1.183 27.576 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.374 121.305 119.950 -0.032 0.000 2.095 30 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 30 F C 2.588 178.371 175.800 -0.028 0.000 1.104 30 F CA 1.705 59.694 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 0.591 123.583 122.820 0.287 0.000 1.883 31 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 31 A C 2.424 180.003 177.584 -0.009 0.000 1.186 31 A CA 2.992 55.126 52.037 0.162 0.000 0.624 31 A CB -1.555 17.496 19.000 0.086 0.000 0.822 31 A HN 0.478 nan 8.150 nan 0.000 0.444 32 R N -0.818 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.164 4.504 4.340 -0.000 0.000 0.235 32 R C 2.484 178.717 176.300 -0.112 0.000 1.127 32 R CA 2.216 58.276 56.100 -0.067 0.000 0.968 32 R CB -1.645 28.625 30.300 -0.051 0.000 0.861 32 R HN 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.661 123.386 122.820 -0.159 0.000 1.970 33 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 33 A C 2.517 179.905 177.584 -0.328 0.000 1.170 33 A CA 2.039 53.955 52.037 -0.202 0.000 0.645 33 A CB -0.489 18.387 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.345 110.908 114.554 -0.501 0.000 3.067 34 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 34 T C 1.707 176.010 174.700 -0.662 0.000 1.105 34 T CA 1.485 63.078 62.100 -0.846 0.000 1.104 34 T CB -0.346 68.134 68.868 -0.646 0.000 0.925 34 T HN 0.614 nan 8.240 nan 0.000 0.498 35 E N 2.519 122.530 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 -0.000 0.000 0.229 35 E C 2.227 178.730 176.600 -0.162 0.000 1.074 35 E CA 2.909 59.200 56.400 -0.182 0.000 0.930 35 E CB -2.264 27.370 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.333 112.142 114.554 -0.131 0.000 3.007 36 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 36 T C 1.813 176.562 174.700 0.083 0.000 1.107 36 T CA 1.620 63.716 62.100 -0.007 0.000 1.118 36 T CB -0.473 68.430 68.868 0.059 0.000 0.889 36 T HN 0.915 nan 8.240 nan 0.000 0.506 37 Y N -1.644 118.687 120.300 0.052 0.000 2.423 37 Y HA 0.686 5.236 4.550 -0.000 0.000 0.257 37 Y C 0.160 176.188 175.900 0.213 0.000 1.087 37 Y CA -2.072 56.085 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 0.137 nan 8.280 nan 0.000 0.517 38 F N 2.037 121.894 119.950 -0.155 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.857 174.904 175.800 -0.066 0.000 1.271 38 F CA -1.395 56.580 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 -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.860 121.334 115.700 -0.377 0.000 2.525 39 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 39 S C 0.143 174.589 174.600 -0.256 0.000 1.234 39 S CA -0.539 57.515 58.200 -0.244 0.000 1.058 39 S CB 1.259 64.374 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.954 124.157 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 40 L C 2.716 179.681 176.870 0.159 0.000 1.136 40 L CA 0.413 55.314 54.840 0.101 0.000 0.933 40 L CB -1.174 41.085 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.727 120.471 118.700 0.074 0.000 2.094 41 N HA -0.254 4.486 4.740 -0.000 0.000 0.191 41 N C 1.482 177.016 175.510 0.040 0.000 1.023 41 N CA 1.917 55.015 53.050 0.080 0.000 0.857 41 N CB -0.919 37.575 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.505 119.178 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 -0.000 0.000 0.195 42 N C 0.378 175.794 175.510 -0.157 0.000 1.213 42 N CA 0.585 53.587 53.050 -0.080 0.000 0.864 42 N CB -0.011 38.426 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.514 119.712 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.824 175.258 176.600 -0.863 0.000 1.030 43 K CA -0.231 55.708 56.287 -0.580 0.000 1.099 43 K CB 0.217 32.307 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 3.000 122.945 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 0.000 0.000 0.328 44 F C 0.090 175.893 175.800 0.006 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.362 40.351 39.000 -0.018 0.000 1.194 44 F HN -0.091 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 -0.987 175.386 176.300 0.122 0.000 1.077 45 R CA -0.504 55.663 56.100 0.111 0.000 1.097 45 R CB 0.604 30.954 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.526 122.272 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.441 173.104 175.510 0.059 0.000 0.998 46 N CA -1.453 51.633 53.050 0.061 0.000 0.915 46 N CB 1.820 40.313 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.130 nan 4.420 nan 0.000 0.272 47 P C -0.429 176.890 177.300 0.032 0.000 1.223 47 P CA -0.106 63.030 63.100 0.061 0.000 0.784 47 P CB 0.504 32.261 31.700 0.094 0.000 0.923 48 T N -1.353 113.204 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 48 T C -0.582 174.107 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.317 69.179 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.833 122.744 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.849 176.940 176.094 -0.004 0.000 1.020 49 V CA -1.046 61.249 62.300 -0.009 0.000 0.850 49 V CB 1.127 32.960 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.102 129.915 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.014 175.566 177.584 -0.007 0.000 1.082 50 A CA -0.932 51.102 52.037 -0.005 0.000 0.789 50 A CB -0.290 18.708 19.000 -0.004 0.000 1.025 50 A HN 0.711 nan 8.150 nan 0.000 0.490 51 P HA 0.236 nan 4.420 nan 0.000 0.275 51 P C 0.565 177.829 177.300 -0.059 0.000 1.228 51 P CA 0.052 63.108 63.100 -0.075 0.000 0.786 51 P CB 0.734 32.369 31.700 -0.108 0.000 0.927 52 T N -2.579 111.926 114.554 -0.081 0.000 3.023 52 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 52 T C 0.362 175.111 174.700 0.081 0.000 1.038 52 T CA 0.061 62.178 62.100 0.028 0.000 0.962 52 T CB -0.657 68.279 68.868 0.114 0.000 1.018 52 T HN 0.721 nan 8.240 nan 0.000 0.521 53 H N -1.916 117.186 119.070 0.052 0.000 3.016 53 H HA 0.630 5.186 4.556 -0.000 0.000 0.362 53 H C -0.933 174.430 175.328 0.059 0.000 1.233 53 H CA -0.806 55.272 56.048 0.050 0.000 1.124 53 H CB 0.533 30.320 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.423 120.945 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.226 176.597 176.300 0.118 0.000 1.147 54 D CA 1.132 55.228 54.000 0.161 0.000 0.757 54 D CB -1.412 39.509 40.800 0.202 0.000 1.091 54 D HN 0.372 nan 8.370 nan 0.000 0.429 55 V N -1.313 118.675 119.914 0.124 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 63.626 62.300 0.183 0.000 1.306 55 V CB 1.038 32.950 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.014 115.654 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.160 174.565 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.811 70.667 68.868 -0.019 0.000 1.090 56 T HN 0.385 nan 8.240 nan 0.000 0.496 57 T N 1.065 115.621 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 57 T C 0.321 174.978 174.700 -0.072 0.000 1.014 57 T CA -0.690 61.366 62.100 -0.073 0.000 1.049 57 T CB 0.747 69.533 68.868 -0.138 0.000 1.001 57 T HN 0.442 nan 8.240 nan 0.000 0.525 58 D N -0.003 120.336 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.673 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.160 40.800 -0.050 0.000 0.992 58 D HN 0.364 nan 8.370 nan 0.000 0.504 59 R N 0.328 120.749 120.500 -0.131 0.000 2.637 59 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 59 R C 0.461 176.729 176.300 -0.054 0.000 1.089 59 R CA -0.195 55.841 56.100 -0.107 0.000 1.177 59 R CB 0.471 30.665 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.855 116.541 115.700 -0.024 0.000 2.533 60 S HA 0.061 4.531 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 0.034 58.228 58.200 -0.009 0.000 1.063 60 S CB 0.119 63.316 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.218 123.017 119.800 -0.002 0.000 2.518 61 Q HA 0.218 4.558 4.340 -0.000 0.000 0.254 61 Q C -1.348 174.645 176.000 -0.012 0.000 0.962 61 Q CA -0.767 55.035 55.803 -0.002 0.000 0.982 61 Q CB 0.780 29.538 28.738 0.034 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.021 123.502 120.500 -0.032 0.000 2.539 62 R HA 0.251 4.591 4.340 -0.000 0.000 0.275 62 R C 0.729 177.045 176.300 0.027 0.000 1.077 62 R CA 0.117 56.210 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 0.071 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.673 177.683 176.870 0.233 0.000 1.083 63 L CA 1.040 55.960 54.840 0.133 0.000 0.790 63 L CB 0.043 42.156 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.402 116.067 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.498 174.285 174.700 0.138 0.000 0.993 64 T CA -0.365 61.872 62.100 0.228 0.000 0.967 64 T CB 2.179 71.187 68.868 0.234 0.000 0.960 64 T HN -0.093 nan 8.240 nan 0.000 0.441 65 L N 3.092 124.390 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 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 -1.193 53.547 54.840 -0.167 0.000 0.818 65 L CB 2.023 43.934 42.059 -0.246 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.407 121.503 120.500 -0.672 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.980 173.865 176.300 -0.759 0.000 0.969 66 R CA -0.488 55.102 56.100 -0.849 0.000 0.879 66 R CB 1.445 31.119 30.300 -1.045 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.521 123.336 119.950 -0.226 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.158 176.057 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.448 40.502 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.045 124.835 120.570 0.365 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.131 176.117 0.304 0.000 0.984 68 I CA -3.555 57.923 61.300 0.298 0.000 1.250 68 I CB 0.799 38.881 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.110 nan 4.420 nan 0.000 0.271 69 P C 0.851 178.055 177.300 -0.160 0.000 1.216 69 P CA -0.034 62.838 63.100 -0.380 0.000 0.771 69 P CB 1.163 32.551 31.700 -0.520 0.000 0.864 70 V N 1.504 121.316 119.914 -0.169 0.000 2.649 70 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 70 V C 0.549 176.586 176.094 -0.095 0.000 1.054 70 V CA 1.798 64.055 62.300 -0.072 0.000 1.073 70 V CB -0.517 31.292 31.823 -0.023 0.000 0.699 70 V HN 0.660 nan 8.190 nan 0.000 0.463 71 D N -1.252 119.054 120.400 -0.156 0.000 2.977 71 D HA 0.582 5.222 4.640 -0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.400 42.132 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.017 122.414 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 -0.000 0.000 0.279 72 R C -0.795 175.338 176.300 -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 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.816 121.764 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 73 E C -1.659 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.385 0.000 0.795 73 E CB 1.831 31.380 29.700 -0.253 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 -0.546 0.000 2.344 74 D HA 0.140 4.780 4.640 -0.000 0.000 0.253 74 D C -0.446 175.735 176.300 -0.197 0.000 1.255 74 D CA 0.485 54.233 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 1.512 115.970 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.417 176.028 174.700 -0.148 0.000 0.995 75 T CA -0.031 61.961 62.100 -0.181 0.000 0.966 75 T CB 1.409 70.115 68.868 -0.271 0.000 1.237 75 T HN 0.301 nan 8.240 nan 0.000 0.591 76 A N 0.346 123.034 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.449 178.997 177.584 -0.060 0.000 1.193 76 A CA 2.164 54.115 52.037 -0.143 0.000 0.629 76 A CB -0.876 18.051 19.000 -0.122 0.000 0.826 76 A HN 0.931 nan 8.150 nan 0.000 0.447 77 Y N -1.768 118.534 120.300 0.004 0.000 2.675 77 Y HA 0.535 5.085 4.550 -0.000 0.000 0.248 77 Y C 0.284 176.333 175.900 0.248 0.000 1.161 77 Y CA -0.444 57.708 58.100 0.086 0.000 1.203 77 Y CB -0.469 37.995 38.460 0.007 0.000 1.262 77 Y HN 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.950 114.788 115.700 0.063 0.000 2.656 78 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 78 S C -2.044 172.717 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.288 65.661 63.200 0.289 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.380 120.822 120.300 0.237 0.000 2.386 79 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 79 Y C -0.807 175.204 175.900 0.184 0.000 1.002 79 Y CA -0.492 57.718 58.100 0.184 0.000 1.068 79 Y CB 1.886 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.940 124.364 120.400 0.040 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.623 174.995 176.600 0.031 0.000 0.961 80 K CA -0.562 55.750 56.287 0.042 0.000 0.833 80 K CB 1.193 33.628 32.500 -0.108 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.346 127.235 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 -0.000 0.000 0.308 81 A C -1.214 176.243 177.584 -0.212 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.082 20.097 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.289 122.535 120.500 -0.423 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.783 174.240 176.300 -0.462 0.000 0.955 82 R CA -0.313 55.620 56.100 -0.278 0.000 0.851 82 R CB 0.810 31.035 30.300 -0.126 0.000 1.161 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.234 120.255 119.950 0.119 0.000 2.611 83 F HA 0.403 4.930 4.527 -0.000 0.000 0.324 83 F C 0.253 176.114 175.800 0.102 0.000 1.061 83 F CA -0.928 57.148 58.000 0.128 0.000 0.954 83 F CB 2.404 41.502 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.229 117.945 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.713 173.956 174.700 -0.053 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.026 68.920 68.868 0.129 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.152 125.312 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.109 176.920 176.870 -0.098 0.000 1.124 85 L CA -0.305 54.283 54.840 -0.419 0.000 0.888 85 L CB -0.797 41.138 42.059 -0.207 0.000 1.217 85 L HN 0.558 nan 8.230 nan 0.000 0.464 86 A N 5.518 128.275 122.820 -0.105 0.000 2.271 86 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 86 A C -0.790 176.979 177.584 0.309 0.000 1.245 86 A CA -0.598 51.547 52.037 0.180 0.000 0.857 86 A CB 1.026 20.150 19.000 0.207 0.000 1.175 86 A HN 0.490 nan 8.150 nan 0.000 0.512 87 V N 3.567 123.668 119.914 0.311 0.000 2.294 87 V HA 0.473 4.593 4.120 -0.000 0.000 0.272 87 V C 1.171 177.373 176.094 0.181 0.000 1.027 87 V CA -0.151 62.355 62.300 0.343 0.000 0.823 87 V CB 0.728 32.793 31.823 0.402 0.000 1.030 87 V HN 1.081 nan 8.190 nan 0.000 0.457 88 G N 3.219 112.068 108.800 0.081 0.000 2.664 88 G HA2 0.141 4.101 3.960 -0.000 0.000 0.242 88 G HA3 0.141 4.101 3.960 -0.000 0.000 0.242 88 G C -0.148 174.751 174.900 -0.002 0.000 1.225 88 G CA -0.447 44.657 45.100 0.006 0.000 0.849 88 G HN 0.643 nan 8.290 nan 0.000 0.581 89 D N 0.691 121.072 120.400 -0.032 0.000 2.443 89 D HA 0.013 4.653 4.640 -0.000 0.000 0.239 89 D C 0.444 176.656 176.300 -0.146 0.000 1.136 89 D CA 0.496 54.463 54.000 -0.054 0.000 0.879 89 D CB 0.509 41.280 40.800 -0.047 0.000 1.195 89 D HN 0.423 nan 8.370 nan 0.000 0.443 90 N N 1.475 120.093 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.776 53.679 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.483 38.487 -0.679 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.460 120.032 120.500 -0.013 0.000 2.740 91 R HA 0.738 5.078 4.340 -0.000 0.000 0.273 91 R C -0.433 175.979 176.300 0.188 0.000 0.998 91 R CA -0.875 55.295 56.100 0.116 0.000 0.900 91 R CB 2.492 32.853 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.462 119.611 119.914 0.265 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.352 174.848 176.094 0.176 0.000 1.090 92 V CA -1.050 61.362 62.300 0.186 0.000 0.930 92 V CB 1.958 33.841 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.593 123.825 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.713 176.040 176.870 -0.195 0.000 0.988 93 L CA 0.055 54.755 54.840 -0.233 0.000 0.824 93 L CB 1.668 43.492 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.789 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 94 D C 1.222 177.422 176.300 -0.167 0.000 1.154 94 D CA -0.316 53.608 54.000 -0.127 0.000 0.859 94 D CB 1.030 41.796 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.831 122.312 119.600 -0.199 0.000 2.192 95 M HA -0.209 4.271 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 0.930 56.088 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 0.513 nan 8.290 nan 0.000 0.408 96 A N -0.016 122.734 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 96 A C 2.186 179.775 177.584 0.008 0.000 1.160 96 A CA 1.881 53.882 52.037 -0.060 0.000 0.653 96 A CB -0.731 18.257 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.365 115.335 115.700 -0.002 0.000 2.634 97 S HA 0.157 4.627 4.470 -0.000 0.000 0.221 97 S C 0.654 175.317 174.600 0.105 0.000 0.952 97 S CA 0.411 58.660 58.200 0.081 0.000 0.930 97 S CB -1.008 62.224 63.200 0.054 0.000 0.780 97 S HN 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.305 114.260 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 -0.000 0.000 0.286 98 T C -0.746 173.985 174.700 0.051 0.000 1.025 98 T CA -0.814 61.249 62.100 -0.061 0.000 1.039 98 T CB 1.219 69.944 68.868 -0.237 0.000 1.068 98 T HN 0.702 nan 8.240 nan 0.000 0.497 99 Y N -1.457 118.756 120.300 -0.146 0.000 2.620 99 Y HA 0.645 5.195 4.550 -0.000 0.000 0.331 99 Y C -2.229 173.557 175.900 -0.190 0.000 1.173 99 Y CA -2.367 55.641 58.100 -0.154 0.000 1.076 99 Y CB 0.521 39.111 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.969 122.058 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.119 176.034 175.800 0.191 0.000 1.120 100 F CA -0.479 57.586 58.000 0.108 0.000 1.144 100 F CB 0.914 39.966 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 0.454 5.094 4.640 -0.000 0.000 0.245 101 D C -0.628 175.808 176.300 0.227 0.000 1.171 101 D CA 0.119 54.346 54.000 0.379 0.000 0.856 101 D CB 0.498 41.610 40.800 0.520 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.699 124.363 120.570 0.157 0.000 2.509 102 I HA 0.481 4.651 4.170 -0.000 0.000 0.293 102 I C 0.060 176.217 176.117 0.067 0.000 1.020 102 I CA -0.916 60.396 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 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.696 124.126 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.387 175.648 176.300 -0.441 0.000 0.969 103 R CA -0.798 55.120 56.100 -0.304 0.000 0.887 103 R CB 2.428 32.536 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.650 108.889 108.800 -0.934 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.855 0.000 1.292 104 G CA -0.442 44.174 45.100 -0.806 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.153 119.880 119.914 -0.311 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.722 175.535 176.094 0.271 0.000 1.052 105 V CA -0.688 61.606 62.300 -0.010 0.000 0.908 105 V CB 1.579 33.391 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.819 124.234 121.223 0.320 0.000 2.431 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.266 106 L C -1.371 175.552 176.870 0.087 0.000 0.978 106 L CA -0.089 54.867 54.840 0.194 0.000 0.822 106 L CB 2.189 44.317 42.059 0.116 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.973 123.391 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.585 176.814 176.300 -0.118 0.000 1.088 107 D CA -0.383 53.630 54.000 0.022 0.000 0.854 107 D CB 1.503 42.386 40.800 0.138 0.000 1.076 107 D HN 0.624 nan 8.370 nan 0.000 0.533 108 R N 2.156 122.511 120.500 -0.242 0.000 2.328 108 R HA 0.266 4.606 4.340 -0.000 0.000 0.207 108 R C 1.352 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.650 56.571 56.100 -0.300 0.000 1.016 108 R CB -0.193 29.754 30.300 -0.589 0.000 0.872 108 R HN 0.667 nan 8.270 nan 0.000 0.471 109 G N 0.082 108.789 108.800 -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 -2.100 172.725 174.900 -0.125 0.000 1.359 109 G CA -0.448 44.586 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 1.729 178.880 177.300 -0.249 0.000 1.168 110 P CA 2.238 65.254 63.100 -0.140 0.000 0.779 110 P CB -0.068 31.576 31.700 -0.094 0.000 0.844 111 T N -4.281 110.085 114.554 -0.312 0.000 3.148 111 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 111 T C 0.301 174.644 174.700 -0.595 0.000 1.134 111 T CA -0.481 61.215 62.100 -0.672 0.000 1.051 111 T CB -1.123 67.343 68.868 -0.670 0.000 0.959 111 T HN -0.122 nan 8.240 nan 0.000 0.525 112 F N 2.593 122.277 119.950 -0.444 0.000 2.472 112 F HA 0.498 5.025 4.527 -0.000 0.000 0.364 112 F C 0.245 175.810 175.800 -0.393 0.000 1.090 112 F CA -1.083 56.699 58.000 -0.363 0.000 1.188 112 F CB 0.570 39.411 39.000 -0.265 0.000 1.105 112 F HN -0.005 nan 8.300 nan 0.000 0.536 113 K N 9.057 128.808 120.400 -1.080 0.000 2.803 113 K HA 0.311 4.631 4.320 -0.000 0.000 0.229 113 K C -2.623 173.212 176.600 -1.275 0.000 1.084 113 K CA -1.745 53.850 56.287 -1.153 0.000 1.063 113 K CB 1.315 33.317 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.014 nan 4.420 nan 0.000 0.286 114 P C -1.296 175.761 177.300 -0.404 0.000 1.577 114 P CA 0.389 62.952 63.100 -0.896 0.000 0.805 114 P CB -0.801 30.741 31.700 -0.263 0.000 1.706 115 Y N -5.476 114.495 120.300 -0.548 0.000 2.810 115 Y HA 0.564 5.114 4.550 -0.000 0.000 0.355 115 Y C -1.063 174.709 175.900 -0.214 0.000 1.211 115 Y CA -1.376 56.583 58.100 -0.234 0.000 1.112 115 Y CB -0.142 38.235 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.898 116.675 115.700 0.130 0.000 2.608 116 S HA 0.788 5.258 4.470 -0.000 0.000 0.291 116 S C 0.330 175.042 174.600 0.188 0.000 1.146 116 S CA 0.116 58.338 58.200 0.037 0.000 1.043 116 S CB 1.036 64.237 63.200 0.001 0.000 1.037 116 S HN 1.828 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 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G C -0.450 174.556 174.900 0.177 0.000 1.341 117 G CA -0.289 44.913 45.100 0.170 0.000 0.880 117 G HN 0.920 nan 8.290 nan 0.000 0.566 118 T N -0.832 113.752 114.554 0.050 0.000 2.940 118 T HA 0.770 5.120 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 62.498 62.100 -0.088 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 -0.211 122.354 122.820 -0.424 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.508 176.563 177.584 -0.854 0.000 1.214 119 A CA 0.128 51.713 52.037 -0.753 0.000 0.900 119 A CB -0.090 18.277 19.000 -1.054 0.000 0.942 119 A HN 0.725 nan 8.150 nan 0.000 0.507 120 Y N 0.328 120.544 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.062 175.872 175.900 -0.150 0.000 0.960 120 Y CA -1.805 56.240 58.100 -0.093 0.000 1.130 120 Y CB 0.722 39.169 38.460 -0.021 0.000 1.164 120 Y HN 0.243 nan 8.280 nan 0.000 0.458 121 N N 0.955 119.702 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.907 176.453 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.075 0.000 0.726 121 N CB -0.716 37.840 38.487 0.114 0.000 0.908 121 N HN 0.914 nan 8.380 nan 0.000 0.542 122 A N -0.241 122.591 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 122 A C 2.178 179.915 177.584 0.254 0.000 1.164 122 A CA 1.052 53.162 52.037 0.121 0.000 0.644 122 A CB -0.094 18.936 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.787 120.535 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 123 L C 1.414 178.372 176.870 0.147 0.000 1.132 123 L CA 0.030 54.953 54.840 0.138 0.000 0.850 123 L CB -0.469 41.645 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.146 124.085 122.820 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 -1.146 50.997 52.037 0.176 0.000 0.779 124 A CB -0.459 18.659 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.047 nan 4.420 nan 0.000 0.265 125 P C 0.264 177.538 177.300 -0.043 0.000 1.193 125 P CA 0.100 63.197 63.100 -0.003 0.000 0.765 125 P CB 0.406 32.111 31.700 0.009 0.000 0.823 126 K N 1.787 122.076 120.400 -0.185 0.000 2.442 126 K HA -0.090 4.230 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 1.556 57.686 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 0.390 109.160 108.800 -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 0.198 175.101 174.900 0.005 0.000 1.071 127 G CA -0.021 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.519 124.357 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 -0.000 0.000 0.242 128 A C -2.208 175.424 177.584 0.080 0.000 1.069 128 A CA -0.427 51.649 52.037 0.066 0.000 0.763 128 A CB 0.327 19.381 19.000 0.090 0.000 1.001 128 A HN 0.210 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.800 176.591 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.095 0.000 0.889 129 P CB 0.974 32.697 31.700 0.037 0.000 1.190 130 N N 1.007 119.784 118.700 0.129 0.000 2.503 130 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 130 N C -2.208 173.407 175.510 0.174 0.000 1.214 130 N CA -1.189 51.938 53.050 0.129 0.000 0.959 130 N CB -0.306 38.236 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 -0.114 63.080 63.100 0.158 0.000 0.767 131 P CB -0.035 31.703 31.700 0.064 0.000 0.785 132 C N 1.959 121.420 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.546 174.651 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.648 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 -0.702 119.704 120.200 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 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.313 32.100 29.700 0.144 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.925 122.291 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 0.000 0.000 0.355 134 W C -1.337 175.251 176.519 0.116 0.000 1.233 134 W CA -0.640 56.752 57.345 0.079 0.000 1.176 134 W CB 0.488 29.966 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.471 119.167 119.070 -0.623 0.000 2.496 166 H HA 0.851 5.407 4.556 -0.000 0.000 0.342 166 H C -0.173 174.782 175.328 -0.622 0.000 1.170 166 H CA -0.752 54.828 56.048 -0.780 0.000 1.274 166 H CB 1.178 30.112 29.762 -1.381 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.068 121.835 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.410 174.760 176.094 0.127 0.000 1.073 167 V CA -0.754 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.976 33.724 31.823 -0.125 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.062 124.081 119.950 0.115 0.000 2.716 168 F HA 0.822 5.349 4.527 -0.000 0.000 0.354 168 F C 0.149 175.995 175.800 0.077 0.000 1.168 168 F CA 0.073 58.166 58.000 0.155 0.000 1.045 168 F CB 1.373 40.565 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.737 112.284 108.800 -0.422 0.000 2.815 169 G HA2 0.530 4.490 3.960 -0.000 0.000 0.305 169 G HA3 0.530 4.490 3.960 -0.000 0.000 0.305 169 G C -2.105 172.590 174.900 -0.342 0.000 1.277 169 G CA -0.718 44.207 45.100 -0.293 0.000 0.795 169 G HN 0.554 nan 8.290 nan 0.000 0.528 170 Q N -1.298 118.392 119.800 -0.184 0.000 2.340 170 Q HA 0.606 4.946 4.340 -0.000 0.000 0.276 170 Q C -1.681 174.281 176.000 -0.064 0.000 1.048 170 Q CA -0.919 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 4.107 126.900 122.820 -0.044 0.000 2.586 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.320 171 A C -2.358 175.244 177.584 0.030 0.000 1.281 171 A CA -1.140 50.904 52.037 0.011 0.000 0.775 171 A CB 0.740 19.745 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.034 nan 4.420 nan 0.000 0.245 172 P C -0.041 177.299 177.300 0.067 0.000 1.199 172 P CA 0.421 63.550 63.100 0.049 0.000 0.807 172 P CB 0.048 31.779 31.700 0.053 0.000 1.002 173 Y N 1.686 121.990 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 173 Y C 0.329 176.244 175.900 0.025 0.000 1.058 173 Y CA -0.562 57.544 58.100 0.010 0.000 1.244 173 Y CB 0.669 39.130 38.460 0.001 0.000 1.187 173 Y HN -0.214 nan 8.280 nan 0.000 0.510 174 S N 5.429 120.778 115.700 -0.584 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.119 174.473 174.600 -0.411 0.000 1.079 174 S CA -0.178 57.829 58.200 -0.322 0.000 1.104 174 S CB -0.298 62.772 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.480 112.336 108.800 0.093 0.000 2.613 175 G HA2 0.521 4.481 3.960 -0.000 0.000 0.303 175 G HA3 0.521 4.481 3.960 -0.000 0.000 0.303 175 G C 0.674 175.663 174.900 0.148 0.000 1.312 175 G CA -0.772 44.494 45.100 0.277 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.295 120.916 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.573 177.506 176.117 -0.307 0.000 1.096 176 I CA 1.529 62.810 61.300 -0.030 0.000 1.408 176 I CB -0.152 37.836 38.000 -0.021 0.000 1.092 176 I HN 0.682 nan 8.210 nan 0.000 0.423 177 N N 0.171 118.666 118.700 -0.341 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.294 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.767 38.982 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.650 122.237 120.570 0.029 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.128 177.324 176.117 0.132 0.000 1.007 178 I CA -0.334 61.082 61.300 0.194 0.000 1.167 178 I CB 1.146 39.347 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.853 117.474 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.157 175.834 174.700 -0.039 0.000 0.986 179 T CA -0.041 62.069 62.100 0.018 0.000 0.989 179 T CB 0.475 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 0.106 120.432 120.400 -0.124 0.000 2.459 180 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 180 K C 1.505 178.107 176.600 0.004 0.000 1.030 180 K CA 1.284 57.439 56.287 -0.219 0.000 1.026 180 K CB -0.399 31.974 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.794 119.445 120.200 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 0.142 56.602 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 1.772 110.736 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G C -0.911 174.133 174.900 0.241 0.000 1.205 182 G CA -0.476 44.781 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.376 122.082 120.570 0.228 0.000 2.359 183 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 183 I C 0.631 176.802 176.117 0.090 0.000 0.987 183 I CA -0.614 60.788 61.300 0.169 0.000 1.225 183 I CB 1.367 39.484 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.278 127.122 119.800 0.074 0.000 2.314 184 Q HA 0.256 4.596 4.340 -0.000 0.000 0.258 184 Q C 0.163 176.206 176.000 0.070 0.000 0.954 184 Q CA -0.097 55.731 55.803 0.042 0.000 0.890 184 Q CB 0.942 29.687 28.738 0.011 0.000 1.210 184 Q HN 0.823 nan 8.270 nan 0.000 0.410 185 I N 0.184 120.781 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.283 176.441 176.117 0.069 0.000 1.422 185 I CA -0.363 60.989 61.300 0.087 0.000 1.150 185 I CB 0.886 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.114 120.183 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 -0.000 0.000 0.324 194 Y C 1.022 176.885 175.900 -0.063 0.000 1.291 194 Y CA -1.316 56.778 58.100 -0.010 0.000 1.348 194 Y CB 0.495 38.969 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.487 124.244 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.041 177.468 177.584 -0.261 0.000 1.089 195 A CA 0.055 51.937 52.037 -0.259 0.000 0.794 195 A CB -0.034 18.719 19.000 -0.411 0.000 1.029 195 A HN 0.891 nan 8.150 nan 0.000 0.488 196 D N 2.425 122.586 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 196 D C 1.510 177.562 176.300 -0.414 0.000 1.229 196 D CA 0.554 54.358 54.000 -0.326 0.000 0.895 196 D CB 0.860 41.506 40.800 -0.257 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.375 122.645 120.400 -0.217 0.000 2.173 197 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 197 K C 1.856 178.383 176.600 -0.121 0.000 1.046 197 K CA 2.365 58.558 56.287 -0.158 0.000 0.929 197 K CB -1.666 30.898 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.070 112.465 114.554 -0.032 0.000 2.849 198 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 198 T C 1.612 176.391 174.700 0.132 0.000 1.066 198 T CA 1.606 63.751 62.100 0.074 0.000 1.130 198 T CB -0.424 68.531 68.868 0.145 0.000 0.864 198 T HN 1.039 nan 8.240 nan 0.000 0.481 199 F N -0.616 119.261 119.950 -0.120 0.000 2.964 199 F HA 0.515 5.042 4.527 0.000 0.000 0.371 199 F C 0.076 175.761 175.800 -0.191 0.000 1.026 199 F CA -1.169 56.756 58.000 -0.125 0.000 1.106 199 F CB 0.274 39.223 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.897 123.147 119.800 -0.915 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.636 172.814 176.000 -0.915 0.000 0.936 200 Q CA -2.238 53.046 55.803 -0.865 0.000 0.903 200 Q CB 1.823 29.968 28.738 -0.989 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.460 62.341 63.100 -0.499 0.000 0.811 201 P CB 0.754 32.202 31.700 -0.420 0.000 1.063 202 E N 1.678 121.807 120.200 -0.117 0.000 2.167 202 E HA 0.149 4.499 4.350 -0.000 0.000 0.284 202 E C -1.603 175.016 176.600 0.031 0.000 1.016 202 E CA -1.765 54.638 56.400 0.005 0.000 0.817 202 E CB 0.431 30.178 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.862 178.197 177.300 0.059 0.000 1.146 203 P CA 1.437 64.564 63.100 0.046 0.000 0.813 203 P CB 0.173 31.899 31.700 0.043 0.000 0.778 204 Q N -0.777 119.061 119.800 0.062 0.000 2.224 204 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.631 56.472 55.803 0.065 0.000 0.865 204 Q CB -0.499 28.277 28.738 0.064 0.000 0.922 204 Q HN 0.276 nan 8.270 nan 0.000 0.445 205 I N 1.387 122.009 120.570 0.087 0.000 2.395 205 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 205 I C 0.430 176.608 176.117 0.102 0.000 1.023 205 I CA -0.249 61.114 61.300 0.106 0.000 1.350 205 I CB 1.001 39.097 38.000 0.161 0.000 1.409 205 I HN 0.148 nan 8.210 nan 0.000 0.507 206 G N 3.425 112.260 108.800 0.057 0.000 2.827 206 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 206 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 206 G C -0.897 173.985 174.900 -0.030 0.000 1.362 206 G CA -0.310 44.801 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.102 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.595 4.945 4.350 -0.000 0.000 0.269 207 E C 1.303 177.863 176.600 -0.067 0.000 1.047 207 E CA 0.436 56.784 56.400 -0.086 0.000 0.874 207 E CB 0.874 30.508 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.389 116.041 115.700 -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 -0.366 62.805 63.200 -0.047 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.524 120.199 119.800 -0.209 0.000 2.471 209 Q HA 0.439 4.779 4.340 -0.000 0.000 0.223 209 Q C 0.729 176.566 176.000 -0.272 0.000 1.045 209 Q CA 0.248 55.811 55.803 -0.400 0.000 0.956 209 Q CB -0.568 27.628 28.738 -0.903 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.677 120.425 121.300 -0.330 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.135 176.611 176.519 -0.071 0.000 1.188 210 W CA 0.225 57.489 57.345 -0.134 0.000 1.651 210 W CB 0.064 29.510 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.856 120.784 120.300 -0.620 0.000 2.565 211 Y HA 0.697 5.247 4.550 -0.000 0.000 0.325 211 Y C 0.326 176.072 175.900 -0.258 0.000 1.221 211 Y CA -1.832 55.925 58.100 -0.572 0.000 1.316 211 Y CB -0.668 37.168 38.460 -1.040 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.784 119.519 120.200 0.172 0.000 2.217 212 E HA 0.472 4.822 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 0.260 56.724 56.400 0.107 0.000 0.882 212 E CB -0.200 29.533 29.700 0.055 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.054 114.653 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.249 213 T C 1.035 175.746 174.700 0.019 0.000 1.039 213 T CA 1.849 63.989 62.100 0.067 0.000 1.036 213 T CB -0.142 68.730 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.018 119.183 120.200 0.001 0.000 5.278 214 E HA 0.312 4.662 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 56.873 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.044 122.594 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 215 I C 1.108 177.181 176.117 -0.073 0.000 1.046 215 I CA 0.102 61.377 61.300 -0.041 0.000 1.324 215 I CB 0.795 38.773 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.225 120.851 118.700 -0.124 0.000 2.432 216 N HA 0.022 4.762 4.740 -0.000 0.000 0.174 216 N C -0.185 175.003 175.510 -0.537 0.000 1.037 216 N CA 0.792 53.645 53.050 -0.328 0.000 0.892 216 N CB 0.348 38.599 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.260 119.358 119.070 0.046 0.000 2.697 217 H HA 0.555 5.111 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 -0.417 55.678 56.048 0.079 0.000 1.322 217 H CB 0.990 30.805 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.240 125.149 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.180 0.000 1.158 218 A CA -0.398 51.726 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 0.675 123.632 122.820 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 -0.159 108.733 108.800 0.152 0.000 2.788 220 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 220 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 220 G C -1.404 173.579 174.900 0.139 0.000 1.392 220 G CA -0.747 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 -1.210 119.338 120.500 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 -0.537 55.611 56.100 0.080 0.000 0.887 221 R CB 2.105 32.431 30.300 0.042 0.000 1.180 221 R HN 0.696 nan 8.270 nan 0.000 0.450 222 V N 5.093 125.047 119.914 0.067 0.000 3.147 222 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 222 V C -1.580 174.554 176.094 0.067 0.000 1.209 222 V CA -0.915 61.421 62.300 0.060 0.000 1.023 222 V CB 2.298 34.149 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.530 125.799 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 223 L C 0.300 177.223 176.870 0.088 0.000 1.049 223 L CA -0.521 54.364 54.840 0.074 0.000 0.804 223 L CB 1.256 43.359 42.059 0.072 0.000 1.195 223 L HN 0.590 nan 8.230 nan 0.000 0.428 224 K N 2.160 122.604 120.400 0.073 0.000 2.276 224 K HA 0.048 4.368 4.320 -0.000 0.000 0.259 224 K C 0.977 177.632 176.600 0.092 0.000 1.001 224 K CA -0.406 55.926 56.287 0.075 0.000 0.927 224 K CB 0.680 33.213 32.500 0.056 0.000 0.969 224 K HN 0.521 nan 8.250 nan 0.000 0.490 225 K N 0.152 120.613 120.400 0.102 0.000 2.585 225 K HA -0.100 4.220 4.320 -0.000 0.000 0.194 225 K C 0.684 177.339 176.600 0.092 0.000 1.037 225 K CA 1.520 57.881 56.287 0.124 0.000 0.964 225 K CB -0.243 32.333 32.500 0.128 0.000 0.787 225 K HN 0.621 nan 8.250 nan 0.000 0.488 226 T N -2.118 112.477 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.571 175.299 174.700 0.046 0.000 1.100 226 T CA -0.105 62.026 62.100 0.052 0.000 1.038 226 T CB 0.146 69.039 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.959 119.543 114.554 0.051 0.000 2.743 227 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 227 T C -2.671 172.056 174.700 0.046 0.000 0.972 227 T CA -1.413 60.712 62.100 0.041 0.000 0.967 227 T CB 1.257 70.147 68.868 0.037 0.000 0.926 227 T HN 0.121 nan 8.240 nan 0.000 0.459 228 P HA 0.026 nan 4.420 nan 0.000 0.264 228 P C -0.278 177.039 177.300 0.028 0.000 1.179 228 P CA 0.097 63.214 63.100 0.028 0.000 0.763 228 P CB 0.370 32.081 31.700 0.018 0.000 0.806 229 M N 2.811 122.423 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.565 176.868 176.300 0.005 0.000 1.216 229 M CA 0.473 55.781 55.300 0.013 0.000 1.134 229 M CB 0.430 33.018 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.934 123.346 120.400 0.019 0.000 2.527 230 K HA 0.555 4.875 4.320 -0.000 0.000 0.260 230 K C -2.822 173.805 176.600 0.044 0.000 0.937 230 K CA -1.875 54.427 56.287 0.026 0.000 0.826 230 K CB 1.662 34.182 32.500 0.032 0.000 1.359 230 K HN 0.221 nan 8.250 nan 0.000 0.434 231 P HA 0.063 nan 4.420 nan 0.000 0.269 231 P C 1.005 178.374 177.300 0.114 0.000 1.209 231 P CA -0.282 62.867 63.100 0.082 0.000 0.776 231 P CB 0.586 32.342 31.700 0.093 0.000 0.876 232 C N 3.117 122.493 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 232 C C 1.450 176.540 174.990 0.167 0.000 1.222 232 C CA 0.525 59.624 59.018 0.135 0.000 1.746 232 C CB -1.657 26.164 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.075 121.416 120.300 0.068 0.000 2.745 233 Y HA 0.380 4.930 4.550 -0.000 0.000 0.335 233 Y C 1.190 177.146 175.900 0.095 0.000 1.212 233 Y CA 1.154 59.300 58.100 0.076 0.000 1.535 233 Y CB -0.077 38.411 38.460 0.047 0.000 1.220 233 Y HN 0.633 nan 8.280 nan 0.000 0.531 234 G N 3.071 111.747 108.800 -0.207 0.000 2.176 234 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 234 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 234 G C 0.166 175.109 174.900 0.071 0.000 0.979 234 G CA 0.145 45.206 45.100 -0.065 0.000 0.641 234 G HN 0.703 nan 8.290 nan 0.000 0.530 235 S N 0.039 115.779 115.700 0.067 0.000 2.528 235 S HA 0.586 5.056 4.470 -0.000 0.000 0.277 235 S C -0.499 174.087 174.600 -0.022 0.000 1.297 235 S CA 0.043 58.262 58.200 0.032 0.000 1.052 235 S CB 1.119 64.345 63.200 0.043 0.000 0.917 235 S HN 0.799 nan 8.310 nan 0.000 0.492 236 Y N 1.238 121.365 120.300 -0.288 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 -0.802 57.024 58.100 -0.457 0.000 1.023 236 Y CB 1.276 39.052 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.856 128.000 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.284 237 A C -1.449 175.592 177.584 -0.905 0.000 1.049 237 A CA -0.969 50.590 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 3.191 123.163 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.610 4.320 -0.000 0.000 0.279 238 K C -2.393 174.096 176.600 -0.185 0.000 0.993 238 K CA -0.546 55.545 56.287 -0.327 0.000 1.030 238 K CB 0.128 32.593 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 1.095 32.779 31.700 -0.028 0.000 0.881 240 T N -1.907 112.631 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.213 174.906 174.700 -0.011 0.000 1.019 240 T CA -0.278 61.813 62.100 -0.015 0.000 0.921 240 T CB -0.742 68.120 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.516 117.171 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.586 176.054 175.510 -0.070 0.000 1.237 241 N CA -0.302 52.727 53.050 -0.035 0.000 0.838 241 N CB 0.693 39.167 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.174 120.323 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 242 E C 0.419 176.912 176.600 -0.178 0.000 1.025 242 E CA 1.595 57.931 56.400 -0.106 0.000 0.856 242 E CB -0.864 28.778 29.700 -0.096 0.000 0.771 242 E HN 0.611 nan 8.360 nan 0.000 0.526 243 N N -0.972 117.568 118.700 -0.268 0.000 2.270 243 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 243 N C 1.346 176.711 175.510 -0.242 0.000 1.117 243 N CA 0.778 53.553 53.050 -0.459 0.000 0.845 243 N CB 1.244 38.991 38.487 -1.233 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.099 108.834 108.800 -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 44.980 45.100 -0.032 0.000 0.627 244 G HN 0.553 nan 8.290 nan 0.000 0.522 245 G N -0.185 108.635 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 -0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 -0.000 0.000 0.239 245 G C 0.568 175.470 174.900 0.004 0.000 1.295 245 G CA 0.564 45.698 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.197 120.990 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.289 177.270 176.000 -0.031 0.000 0.833 246 Q CA -0.156 55.619 55.803 -0.048 0.000 0.990 246 Q CB 1.167 29.846 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.153 109.951 108.800 -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 -0.187 174.715 174.900 0.003 0.000 1.294 247 G CA -0.396 44.708 45.100 0.007 0.000 0.896 247 G HN 0.199 nan 8.290 nan 0.000 0.522 248 I N 1.165 121.736 120.570 0.002 0.000 2.752 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.287 248 I C 0.583 176.705 176.117 0.009 0.000 1.188 248 I CA 0.389 61.691 61.300 0.002 0.000 1.427 248 I CB 0.666 38.668 38.000 0.003 0.000 1.365 248 I HN 0.214 nan 8.210 nan 0.000 0.585 249 L N 6.829 128.057 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.128 176.749 176.870 0.011 0.000 1.035 249 L CA -0.637 54.209 54.840 0.011 0.000 0.806 249 L CB 1.423 43.488 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.159 115.874 115.700 0.025 0.000 2.549 259 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 259 S C 0.690 175.308 174.600 0.030 0.000 1.320 259 S CA 0.249 58.467 58.200 0.030 0.000 1.058 259 S CB 0.851 64.073 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.922 122.740 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.312 175.709 176.000 0.035 0.000 0.832 260 Q CA -0.215 55.605 55.803 0.029 0.000 1.010 260 Q CB 0.733 29.485 28.738 0.023 0.000 1.133 260 Q HN 0.589 nan 8.270 nan 0.000 0.489 261 V N 1.754 121.696 119.914 0.047 0.000 2.763 261 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 261 V C 0.472 176.594 176.094 0.048 0.000 1.059 261 V CA 0.657 62.995 62.300 0.063 0.000 1.138 261 V CB 0.611 32.495 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.952 125.165 120.200 0.023 0.000 2.265 262 E HA 0.636 4.986 4.350 -0.000 0.000 0.262 262 E C -0.601 175.933 176.600 -0.110 0.000 0.889 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.789 262 E CB 1.485 31.180 29.700 -0.008 0.000 1.221 262 E HN 0.747 nan 8.360 nan 0.000 0.414 263 M N 0.954 120.426 119.600 -0.213 0.000 2.243 263 M HA 0.441 4.921 4.480 -0.000 0.000 0.341 263 M C 0.057 176.122 176.300 -0.391 0.000 1.130 263 M CA -0.097 54.900 55.300 -0.504 0.000 1.162 263 M CB 0.389 32.482 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.175 121.674 119.800 -0.501 0.000 2.309 264 Q HA 0.536 4.876 4.340 -0.000 0.000 0.270 264 Q C -1.645 174.012 176.000 -0.572 0.000 1.023 264 Q CA -0.393 55.192 55.803 -0.364 0.000 0.758 264 Q CB 1.827 30.502 28.738 -0.105 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.901 121.570 119.950 -0.468 0.000 2.379 265 F HA 0.593 5.120 4.527 0.000 0.000 0.332 265 F C -0.166 175.216 175.800 -0.697 0.000 1.096 265 F CA -0.466 57.314 58.000 -0.366 0.000 1.105 265 F CB 0.688 39.565 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.065 119.951 119.950 0.110 0.000 2.613 266 F HA 0.646 5.173 4.527 -0.000 0.000 0.310 266 F C -0.127 175.699 175.800 0.043 0.000 1.085 266 F CA -0.715 57.312 58.000 0.044 0.000 0.945 266 F CB 2.206 41.201 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.554 115.274 115.700 0.213 0.000 2.651 267 S HA 0.580 5.050 4.470 -0.000 0.000 0.279 267 S C 0.099 174.754 174.600 0.092 0.000 1.148 267 S CA -0.491 57.778 58.200 0.115 0.000 0.837 267 S CB 1.857 65.096 63.200 0.066 0.000 1.138 267 S HN 0.764 nan 8.310 nan 0.000 0.478 268 T N 0.370 114.955 114.554 0.051 0.000 4.971 268 T HA 0.465 4.815 4.350 -0.000 0.000 0.217 268 T C 0.921 175.639 174.700 0.029 0.000 0.770 268 T CA 0.890 63.010 62.100 0.033 0.000 2.187 268 T CB -1.185 67.692 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.144 121.076 121.223 -0.005 0.000 2.999 279 L HA 0.490 4.830 4.340 -0.000 0.000 0.304 279 L C 1.171 178.038 176.870 -0.005 0.000 1.104 279 L CA 1.536 56.371 54.840 -0.008 0.000 0.911 279 L CB -1.402 40.646 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.833 118.393 114.554 0.010 0.000 3.548 280 T HA 0.629 4.979 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 -0.793 61.324 62.100 0.028 0.000 1.041 280 T CB 0.785 69.679 68.868 0.043 0.000 1.065 280 T HN 0.741 nan 8.240 nan 0.000 0.459 281 P HA 0.330 nan 4.420 nan 0.000 0.261 281 P C 0.856 178.242 177.300 0.143 0.000 1.183 281 P CA 0.134 63.321 63.100 0.144 0.000 0.761 281 P CB 0.664 32.517 31.700 0.255 0.000 0.785 282 K N 1.994 122.458 120.400 0.107 0.000 2.323 282 K HA 0.249 4.569 4.320 -0.000 0.000 0.197 282 K C 0.766 177.412 176.600 0.077 0.000 1.043 282 K CA 0.779 57.088 56.287 0.037 0.000 0.997 282 K CB 0.179 32.679 32.500 -0.001 0.000 0.807 282 K HN 0.398 nan 8.250 nan 0.000 0.497 283 V N -0.064 119.935 119.914 0.141 0.000 2.925 283 V HA 0.658 4.778 4.120 -0.000 0.000 0.311 283 V C -1.383 174.812 176.094 0.168 0.000 1.104 283 V CA -0.718 61.664 62.300 0.137 0.000 0.954 283 V CB 1.971 33.840 31.823 0.076 0.000 1.022 283 V HN 0.295 nan 8.190 nan 0.000 0.427 284 V N 5.746 125.692 119.914 0.053 0.000 2.686 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 284 V C -1.602 174.391 176.094 -0.168 0.000 1.065 284 V CA -0.319 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.885 33.417 31.823 -0.485 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.149 127.237 121.223 -0.225 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.382 175.317 176.870 -0.285 0.000 1.007 285 L CA -0.752 54.024 54.840 -0.105 0.000 0.818 285 L CB 2.270 44.336 42.059 0.012 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.005 121.255 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 4.550 0.000 0.000 0.338 286 Y C 0.857 176.733 175.900 -0.039 0.000 1.057 286 Y CA -0.651 57.401 58.100 -0.080 0.000 1.314 286 Y CB 0.788 39.193 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.153 118.872 115.700 0.033 0.000 2.548 287 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 287 S C -0.292 174.341 174.600 0.054 0.000 1.315 287 S CA -0.562 57.666 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 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.124 121.356 120.200 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 -1.007 55.419 56.400 0.044 0.000 0.812 288 E CB 0.896 30.624 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 -0.457 175.846 176.300 0.006 0.000 1.062 289 D CA -0.291 53.722 54.000 0.021 0.000 0.832 289 D CB 1.983 42.795 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.383 119.529 119.914 -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 -0.886 61.396 62.300 -0.029 0.000 1.006 290 V CB 2.353 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 2.161 122.527 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.033 176.292 176.300 -0.068 0.000 1.133 291 D CA -0.066 53.906 54.000 -0.048 0.000 1.017 291 D CB 0.033 40.808 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.445 122.986 120.570 -0.048 0.000 2.598 292 I HA -0.031 4.139 4.170 -0.000 0.000 0.284 292 I C 0.254 176.364 176.117 -0.011 0.000 1.140 292 I CA 0.549 61.822 61.300 -0.045 0.000 1.420 292 I CB 0.302 38.289 38.000 -0.022 0.000 1.387 292 I HN 0.225 nan 8.210 nan 0.000 0.553 293 E N 3.709 123.910 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.041 175.582 176.600 0.038 0.000 0.950 293 E CA -0.905 55.522 56.400 0.044 0.000 0.796 293 E CB 1.681 31.439 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.244 112.336 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.315 172.421 174.700 0.061 0.000 1.187 294 T CA -1.244 60.886 62.100 0.051 0.000 1.667 294 T CB 0.477 69.381 68.868 0.060 0.000 0.804 294 T HN 0.186 nan 8.240 nan 0.000 0.639 295 P HA 0.036 nan 4.420 nan 0.000 0.225 295 P C 0.431 177.762 177.300 0.053 0.000 1.148 295 P CA 1.210 64.337 63.100 0.045 0.000 0.779 295 P CB 0.049 31.764 31.700 0.024 0.000 0.780 296 D N -2.271 118.185 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.021 176.372 176.300 0.086 0.000 1.393 296 D CA -0.263 53.770 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.054 0.000 1.110 296 D HN 0.126 nan 8.370 nan 0.000 0.495 297 T N -2.731 111.897 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 -0.000 0.000 0.294 297 T C -0.626 174.205 174.700 0.220 0.000 1.119 297 T CA -0.831 61.372 62.100 0.171 0.000 1.007 297 T CB 2.588 71.533 68.868 0.129 0.000 1.225 297 T HN 0.312 nan 8.240 nan 0.000 0.515 298 H N -0.598 118.502 119.070 0.051 0.000 2.977 298 H HA 0.530 5.086 4.556 -0.000 0.000 0.350 298 H C -1.184 174.161 175.328 0.029 0.000 1.238 298 H CA -1.458 54.603 56.048 0.022 0.000 1.124 298 H CB 0.805 30.557 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.783 123.355 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.568 177.631 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.994 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 6.031 121.657 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 300 S C 0.216 174.864 174.600 0.081 0.000 0.985 300 S CA 0.244 58.398 58.200 -0.076 0.000 0.914 300 S CB -0.052 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 1.157 121.414 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 301 Y C -1.171 174.701 175.900 -0.046 0.000 1.135 301 Y CA -1.196 56.874 58.100 -0.050 0.000 1.213 301 Y CB 0.978 39.404 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.613 127.875 119.600 -0.563 0.000 2.084 302 M HA 0.353 4.833 4.480 -0.000 0.000 0.351 302 M C -1.951 173.873 176.300 -0.793 0.000 1.240 302 M CA -2.807 52.190 55.300 -0.505 0.000 1.083 302 M CB 1.141 33.586 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.090 nan 4.420 nan 0.000 0.235 303 P C -0.662 176.492 177.300 -0.244 0.000 1.177 303 P CA 0.638 63.451 63.100 -0.477 0.000 0.785 303 P CB 0.435 32.005 31.700 -0.216 0.000 0.885 304 T N -2.111 112.319 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.500 175.134 174.700 -0.109 0.000 1.269 304 T CA -0.425 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.090 69.897 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.782 119.739 120.570 -0.081 0.000 3.688 305 I HA 0.698 4.868 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 -0.083 61.180 61.300 -0.061 0.000 1.192 305 I CB -2.029 35.943 38.000 -0.047 0.000 1.043 305 I HN 0.867 nan 8.210 nan 0.000 0.442 306 K N 0.869 121.237 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.257 176.834 176.600 -0.038 0.000 1.010 306 K CA 0.126 56.389 56.287 -0.039 0.000 0.875 306 K CB -0.421 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 0.256 120.442 120.200 -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 0.293 56.683 56.400 -0.017 0.000 0.995 307 E CB -0.245 29.451 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.528 109.326 108.800 -0.002 0.000 2.722 308 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 308 G HA3 -0.076 3.884 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 -0.224 44.884 45.100 0.013 0.000 0.817 308 G HN 0.957 nan 8.290 nan 0.000 0.605 309 N N 0.188 118.906 118.700 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 -0.009 0.000 1.202 309 N CA 0.668 53.728 53.050 0.018 0.000 0.926 309 N CB 1.513 40.063 38.487 0.106 0.000 1.078 309 N HN 1.333 nan 8.380 nan 0.000 0.454 310 S N -0.637 114.925 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.949 174.989 174.600 -0.934 0.000 1.157 310 S CA -0.319 57.630 58.200 -0.418 0.000 0.824 310 S CB 1.020 64.104 63.200 -0.193 0.000 1.126 310 S HN 0.573 nan 8.310 nan 0.000 0.464 311 R N 0.389 120.227 120.500 -1.102 0.000 2.139 311 R HA 0.040 4.380 4.340 -0.000 0.000 0.243 311 R C 2.477 178.428 176.300 -0.580 0.000 1.145 311 R CA 3.245 58.721 56.100 -1.041 0.000 0.976 311 R CB -2.384 27.677 30.300 -0.398 0.000 0.866 311 R HN 1.238 nan 8.270 nan 0.000 0.449 312 E N 1.094 121.068 120.200 -0.377 0.000 2.070 312 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 312 E C 2.165 178.624 176.600 -0.235 0.000 1.004 312 E CA 1.443 57.700 56.400 -0.238 0.000 0.805 312 E CB -0.673 28.925 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.214 120.847 121.223 -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 55.418 54.840 -0.214 0.000 0.816 313 L CB -0.292 41.656 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.825 118.588 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.820 178.009 176.300 -0.184 0.000 1.071 314 M CA 1.320 56.439 55.300 -0.302 0.000 1.096 314 M CB -0.534 31.780 32.600 -0.476 0.000 1.408 314 M HN 0.337 nan 8.290 nan 0.000 0.463 315 G N 0.440 109.168 108.800 -0.120 0.000 3.088 315 G HA2 0.057 4.017 3.960 -0.000 0.000 0.217 315 G HA3 0.057 4.017 3.960 -0.000 0.000 0.217 315 G C 0.387 175.353 174.900 0.110 0.000 1.159 315 G CA -0.403 44.692 45.100 -0.009 0.000 0.760 315 G HN 0.580 nan 8.290 nan 0.000 0.550 316 Q N 0.043 119.860 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 -0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.053 55.889 55.803 0.054 0.000 0.888 316 Q CB 0.796 29.507 28.738 -0.046 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.942 120.809 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.238 174.761 176.000 -0.001 0.000 1.038 317 Q CA -0.645 55.184 55.803 0.045 0.000 0.832 317 Q CB 2.496 31.252 28.738 0.030 0.000 1.323 317 Q HN 0.718 nan 8.270 nan 0.000 0.448 318 S N 2.330 118.023 115.700 -0.012 0.000 2.549 318 S HA 0.787 5.257 4.470 -0.000 0.000 0.297 318 S C -0.992 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.627 57.583 58.200 0.015 0.000 1.059 318 S CB 0.825 64.141 63.200 0.193 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 4.984 124.521 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.835 173.465 176.300 0.001 0.000 1.136 319 M CA -2.009 53.217 55.300 -0.124 0.000 0.917 319 M CB 2.361 34.789 32.600 -0.286 0.000 1.669 319 M HN 0.409 nan 8.290 nan 0.000 0.461 320 P HA 0.110 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.174 177.300 0.174 0.000 1.209 320 P CA 0.003 63.222 63.100 0.198 0.000 0.776 320 P CB 0.264 32.080 31.700 0.194 0.000 0.876 321 N N 1.723 120.511 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.403 175.884 175.510 -0.049 0.000 1.214 321 N CA -0.265 52.841 53.050 0.092 0.000 0.959 321 N CB 0.218 38.749 38.487 0.074 0.000 1.142 321 N HN 0.255 nan 8.380 nan 0.000 0.455 322 R N 1.583 122.011 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 -0.000 0.000 0.277 322 R C -1.996 174.196 176.300 -0.180 0.000 1.039 322 R CA -0.998 54.984 56.100 -0.198 0.000 1.065 322 R CB -0.193 29.924 30.300 -0.305 0.000 0.964 322 R HN 0.399 nan 8.270 nan 0.000 0.428 323 P HA 0.002 nan 4.420 nan 0.000 0.268 323 P C -0.850 176.282 177.300 -0.279 0.000 1.205 323 P CA -0.003 62.870 63.100 -0.379 0.000 0.771 323 P CB 0.533 32.013 31.700 -0.366 0.000 0.858 324 N N 2.036 120.471 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.699 173.643 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.150 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 2.612 122.947 120.300 0.058 0.000 2.319 325 Y HA 0.464 5.014 4.550 0.000 0.000 0.328 325 Y C 0.607 176.618 175.900 0.186 0.000 1.133 325 Y CA -0.070 58.134 58.100 0.172 0.000 1.265 325 Y CB 0.897 39.447 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.820 123.636 120.570 0.411 0.000 2.569 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.073 0.000 1.088 326 I CA -0.694 60.660 61.300 0.090 0.000 1.047 326 I CB 1.772 39.758 38.000 -0.024 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.641 127.394 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 327 A C -1.505 175.979 177.584 -0.167 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.173 0.000 0.643 327 A CB 0.660 19.638 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.227 121.153 119.950 -0.039 0.000 2.444 328 F HA 0.467 4.994 4.527 0.000 0.000 0.331 328 F C 1.555 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.587 58.594 58.000 0.012 0.000 1.262 328 F CB 0.620 39.715 39.000 0.159 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.153 120.779 120.500 0.210 0.000 2.583 329 R HA 0.150 4.490 4.340 -0.000 0.000 0.268 329 R C -0.810 175.459 176.300 -0.052 0.000 1.101 329 R CA -0.919 55.225 56.100 0.075 0.000 1.180 329 R CB 0.198 30.562 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.284 121.658 120.400 -0.043 0.000 2.472 330 D HA -0.078 4.562 4.640 -0.000 0.000 0.248 330 D C -0.199 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.683 54.639 54.000 -0.073 0.000 0.883 330 D CB 0.171 40.953 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.556 122.188 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.055 175.502 175.510 0.079 0.000 1.112 331 N CA 0.878 53.932 53.050 0.007 0.000 0.750 331 N CB -1.459 37.130 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.826 118.186 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.987 176.853 175.800 0.109 0.000 0.882 332 F CA 0.201 58.253 58.000 0.087 0.000 1.063 332 F CB -2.083 36.942 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 0.137 4.307 4.170 -0.000 0.000 0.296 333 I C 1.645 177.885 176.117 0.205 0.000 1.220 333 I CA 1.603 63.020 61.300 0.195 0.000 1.435 333 I CB 0.047 38.130 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.315 113.219 108.800 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 0.902 175.851 174.900 0.082 0.000 1.033 334 G CA 0.405 45.573 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.184 121.508 121.223 0.168 0.000 1.989 335 L HA 0.124 4.464 4.340 -0.000 0.000 0.211 335 L C 1.914 178.826 176.870 0.071 0.000 1.071 335 L CA 1.660 56.611 54.840 0.186 0.000 0.749 335 L CB -0.218 41.965 42.059 0.207 0.000 0.890 335 L HN 0.441 nan 8.230 nan 0.000 0.431 336 M N -2.065 117.499 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.064 175.036 176.300 -0.334 0.000 1.177 336 M CA -0.372 54.744 55.300 -0.307 0.000 1.068 336 M CB 1.355 33.642 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.306 121.440 120.300 -0.277 0.000 2.319 337 Y HA 0.330 4.880 4.550 -0.000 0.000 0.328 337 Y C -0.891 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.471 58.458 58.100 -0.189 0.000 1.265 337 Y CB 0.585 38.935 38.460 -0.185 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.178 120.284 120.300 0.270 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.068 175.935 175.900 0.172 0.000 1.076 338 Y CA -2.553 55.682 58.100 0.226 0.000 1.029 338 Y CB 1.437 40.057 38.460 0.268 0.000 1.308 338 Y HN 0.684 nan 8.280 nan 0.000 0.461 339 N N -0.387 118.507 118.700 0.324 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.692 174.907 175.510 0.148 0.000 1.033 339 N CA 0.978 54.162 53.050 0.224 0.000 0.727 339 N CB -1.231 37.414 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 0.090 0.000 2.756 340 S HA 0.538 5.008 4.470 -0.000 0.000 0.303 340 S C 1.142 175.711 174.600 -0.052 0.000 1.135 340 S CA -0.620 57.608 58.200 0.045 0.000 1.066 340 S CB 0.977 64.246 63.200 0.115 0.000 1.008 340 S HN 0.119 nan 8.310 nan 0.000 0.482 341 T N 2.529 117.055 114.554 -0.047 0.000 2.803 341 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.118 0.000 1.052 341 T CA 2.040 64.091 62.100 -0.081 0.000 1.136 341 T CB -0.257 68.580 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.467 342 G N 1.386 110.118 108.800 -0.114 0.000 2.448 342 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 342 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 342 G C 0.931 175.688 174.900 -0.237 0.000 1.135 342 G CA 0.133 45.149 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.261 118.762 118.700 -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 38.838 38.487 -1.050 0.000 1.320 343 N HN 0.216 nan 8.380 nan 0.000 0.490 344 M N 1.176 120.527 119.600 -0.416 0.000 2.219 344 M HA 0.222 4.702 4.480 -0.000 0.000 0.353 344 M C 0.896 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.116 54.890 55.300 -0.490 0.000 1.115 344 M CB 0.637 33.033 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.318 111.400 108.800 -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 -1.167 173.286 174.900 -0.745 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 0.542 120.271 119.914 -0.309 0.000 2.733 346 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 346 V C -0.946 175.346 176.094 0.331 0.000 1.084 346 V CA -0.574 61.736 62.300 0.017 0.000 0.905 346 V CB 1.767 33.583 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.726 126.122 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.354 176.648 176.870 0.220 0.000 0.982 347 L CA 0.057 55.085 54.840 0.313 0.000 0.873 347 L CB 1.176 43.391 42.059 0.259 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.813 125.776 122.820 0.240 0.000 2.515 348 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 348 A C -0.181 177.560 177.584 0.261 0.000 1.059 348 A CA -0.208 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 0.817 nan 8.150 nan 0.000 0.404 349 G N 0.068 109.011 108.800 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 0.073 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.746 121.511 119.800 -0.059 0.000 2.234 350 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 350 Q C 2.590 178.575 176.000 -0.026 0.000 0.980 350 Q CA 1.477 57.263 55.803 -0.027 0.000 0.869 350 Q CB -0.013 28.700 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.302 122.488 122.820 -0.049 0.000 2.218 351 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 351 A C 2.036 179.622 177.584 0.003 0.000 1.168 351 A CA 1.167 53.186 52.037 -0.030 0.000 0.804 351 A CB -0.126 18.845 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.793 112.922 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.483 176.113 174.600 0.050 0.000 1.067 352 S CA 1.691 59.922 58.200 0.050 0.000 0.908 352 S CB -0.063 63.186 63.200 0.082 0.000 0.809 352 S HN 1.596 nan 8.310 nan 0.000 0.491 353 Q N -0.705 119.125 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.581 176.613 176.000 0.052 0.000 0.702 353 Q CA 1.418 57.248 55.803 0.045 0.000 1.411 353 Q CB -2.668 26.086 28.738 0.027 0.000 1.717 353 Q HN 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.742 123.007 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.042 176.968 176.870 0.093 0.000 1.065 354 L CA -0.559 54.326 54.840 0.075 0.000 0.806 354 L CB 1.442 43.552 42.059 0.085 0.000 1.175 354 L HN 0.548 nan 8.230 nan 0.000 0.431 355 N N 3.483 122.230 118.700 0.078 0.000 2.411 355 N HA 0.196 4.936 4.740 -0.000 0.000 0.259 355 N C 0.718 176.307 175.510 0.130 0.000 1.103 355 N CA 0.477 53.579 53.050 0.087 0.000 0.954 355 N CB 1.415 39.922 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.508 126.428 122.820 0.167 0.000 2.067 356 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 356 A C 0.616 178.391 177.584 0.319 0.000 1.158 356 A CA 0.527 52.700 52.037 0.225 0.000 0.661 356 A CB -0.018 19.089 19.000 0.179 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.851 120.895 119.914 0.216 0.000 2.461 357 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 357 V C -0.541 175.541 176.094 -0.021 0.000 1.047 357 V CA -0.106 62.287 62.300 0.155 0.000 0.955 357 V CB 1.259 33.079 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.449 124.279 119.914 -0.140 0.000 2.498 358 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 358 V C -0.571 175.356 176.094 -0.279 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.597 32.998 31.823 -0.703 0.000 1.025 358 V HN 0.835 nan 8.190 nan 0.000 0.441 359 D N 3.162 123.456 120.400 -0.176 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.819 175.490 176.300 0.016 0.000 1.029 359 D CA -0.257 53.728 54.000 -0.026 0.000 0.990 359 D CB 2.228 42.963 40.800 -0.108 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.224 122.512 121.223 0.109 0.000 2.388 360 L HA 0.340 4.680 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 2.162 44.291 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.052 119.902 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 361 Q C 0.467 176.536 176.000 0.113 0.000 0.962 361 Q CA 0.983 56.838 55.803 0.087 0.000 0.879 361 Q CB 0.237 29.003 28.738 0.047 0.000 0.947 361 Q HN 0.621 nan 8.270 nan 0.000 0.462 362 D N 0.369 120.838 120.400 0.115 0.000 2.317 362 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 362 D C 0.405 176.800 176.300 0.158 0.000 0.966 362 D CA 0.393 54.468 54.000 0.125 0.000 0.876 362 D CB 0.247 41.111 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.309 120.917 120.500 0.181 0.000 2.500 363 R HA 0.258 4.598 4.340 -0.000 0.000 0.277 363 R C -0.568 175.852 176.300 0.200 0.000 1.026 363 R CA -0.484 55.731 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.256 0.000 1.078 363 R HN -0.203 nan 8.270 nan 0.000 0.509 364 N N 1.299 120.084 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.307 175.234 175.510 0.052 0.000 1.250 364 N CA -0.151 52.948 53.050 0.081 0.000 0.820 364 N CB 1.296 39.746 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.868 115.473 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 365 T C 1.371 176.031 174.700 -0.067 0.000 1.039 365 T CA 1.182 63.270 62.100 -0.021 0.000 1.150 365 T CB 0.170 68.926 68.868 -0.186 0.000 0.864 365 T HN 0.443 nan 8.240 nan 0.000 0.427 366 E N 0.842 121.030 120.200 -0.020 0.000 2.058 366 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 366 E C 2.275 178.892 176.600 0.027 0.000 0.997 366 E CA 0.925 57.344 56.400 0.031 0.000 0.801 366 E CB -0.574 29.187 29.700 0.102 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.116 122.320 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.775 56.574 54.840 -0.068 0.000 0.747 367 L CB -0.755 41.242 42.059 -0.103 0.000 0.896 367 L HN -0.004 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.965 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.093 176.724 174.600 0.052 0.000 1.035 368 S CA 1.667 59.904 58.200 0.061 0.000 1.014 368 S CB -0.607 62.628 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.672 121.919 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.553 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.638 59.669 58.100 -0.116 0.000 1.201 369 Y CB -0.294 38.098 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.090 119.860 119.800 -0.049 0.000 2.050 370 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.715 57.444 55.803 -0.123 0.000 0.840 370 Q CB -0.521 28.112 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.196 121.281 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.415 179.007 176.870 -0.463 0.000 1.095 371 L CA 0.352 55.072 54.840 -0.201 0.000 0.770 371 L CB -0.455 41.606 42.059 0.002 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.094 120.723 121.223 -0.677 0.000 2.046 372 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 372 L C 2.346 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.637 55.892 54.840 -0.976 0.000 0.747 372 L CB -0.312 41.350 42.059 -0.662 0.000 0.896 372 L HN 0.098 nan 8.230 nan 0.000 0.432 373 L N -0.429 120.510 121.223 -0.473 0.000 2.017 373 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 373 L C 2.341 179.113 176.870 -0.164 0.000 1.073 373 L CA 1.947 56.595 54.840 -0.320 0.000 0.745 373 L CB -0.815 41.075 42.059 -0.282 0.000 0.894 373 L HN 0.413 nan 8.230 nan 0.000 0.432 374 D N -0.277 120.075 120.400 -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 1.519 55.527 54.000 0.014 0.000 0.839 374 D CB 0.136 41.070 40.800 0.223 0.000 0.948 374 D HN 0.289 nan 8.370 nan 0.000 0.460 375 S N -0.130 115.511 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.044 176.617 174.600 -0.045 0.000 1.014 375 S CA 0.875 59.043 58.200 -0.053 0.000 0.957 375 S CB -0.710 62.443 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.063 118.449 120.570 -0.097 0.000 3.956 376 I HA 0.588 4.758 4.170 -0.000 0.000 0.333 376 I C 0.694 176.786 176.117 -0.043 0.000 1.302 376 I CA -0.106 61.156 61.300 -0.063 0.000 1.122 376 I CB -0.042 37.908 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.844 109.621 108.800 -0.039 0.000 2.490 377 G HA2 0.117 4.077 3.960 -0.000 0.000 0.308 377 G HA3 0.117 4.077 3.960 -0.000 0.000 0.308 377 G C -2.011 172.875 174.900 -0.023 0.000 1.286 377 G CA -0.393 44.691 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.052 120.437 120.400 -0.025 0.000 2.456 378 D HA 0.331 4.971 4.640 -0.000 0.000 0.219 378 D C 1.451 177.735 176.300 -0.027 0.000 1.126 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.890 378 D CB 0.990 41.765 40.800 -0.042 0.000 1.025 378 D HN 0.188 nan 8.370 nan 0.000 0.511 379 R N 1.146 121.627 120.500 -0.032 0.000 2.355 379 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 379 R C 1.846 178.148 176.300 0.004 0.000 1.107 379 R CA 1.029 57.121 56.100 -0.013 0.000 1.021 379 R CB -1.106 29.161 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.285 112.244 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 380 T C 0.905 175.516 174.700 -0.149 0.000 1.093 380 T CA 0.144 62.199 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 1.126 121.574 120.500 -0.086 0.000 2.490 381 R HA 0.353 4.693 4.340 -0.000 0.000 0.278 381 R C -0.872 175.490 176.300 0.103 0.000 1.069 381 R CA -0.434 55.596 56.100 -0.117 0.000 1.080 381 R CB 0.385 30.638 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.519 121.747 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.008 175.964 175.900 0.094 0.000 1.133 382 Y CA -1.309 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.820 38.959 38.460 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.252 122.285 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 -0.000 0.000 0.368 383 F C 1.043 176.891 175.800 0.081 0.000 1.202 383 F CA -1.609 56.445 58.000 0.089 0.000 1.109 383 F CB 0.990 40.042 39.000 0.086 0.000 1.418 383 F HN 0.480 nan 8.300 nan 0.000 0.527 384 S N 5.010 120.820 115.700 0.182 0.000 2.380 384 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 384 S C 2.141 176.506 174.600 -0.392 0.000 1.043 384 S CA 1.668 59.852 58.200 -0.026 0.000 1.038 384 S CB -0.564 62.676 63.200 0.067 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.025 119.019 119.600 -0.927 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.250 177.060 176.300 -0.816 0.000 1.073 385 M CA 2.235 56.842 55.300 -1.156 0.000 1.091 385 M CB -0.309 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 -0.682 120.303 121.300 -0.525 0.000 3.330 386 W HA 0.246 4.906 4.660 -0.000 0.000 0.348 386 W C 0.473 176.776 176.519 -0.361 0.000 1.205 386 W CA -0.615 56.624 57.345 -0.177 0.000 1.841 386 W CB -0.177 29.222 29.460 -0.102 0.000 1.084 386 W HN 0.374 nan 8.180 nan 0.000 0.665 387 N N 1.261 119.803 118.700 -0.264 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.020 175.404 175.510 -0.209 0.000 1.107 387 N CA 0.696 53.493 53.050 -0.421 0.000 0.707 387 N CB -1.124 36.632 38.487 -1.218 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 -0.752 175.254 176.000 0.010 0.000 1.309 388 Q CA 0.369 56.220 55.803 0.079 0.000 0.935 388 Q CB -0.007 28.895 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.698 126.434 122.820 -0.141 0.000 2.768 389 A HA 0.248 4.568 4.320 -0.000 0.000 0.299 389 A C -0.727 176.701 177.584 -0.260 0.000 1.171 389 A CA -0.567 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.000 19.517 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.562 122.432 119.914 -0.073 0.000 2.814 390 V HA -0.002 4.118 4.120 -0.000 0.000 0.307 390 V C 0.051 176.141 176.094 -0.007 0.000 1.089 390 V CA 0.489 62.784 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 4.835 125.230 120.400 -0.009 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 0.428 54.461 54.000 0.055 0.000 0.879 391 D CB 1.321 42.097 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.261 117.122 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.114 173.556 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.187 0.000 0.838 392 S CB 1.758 64.954 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.247 119.018 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.316 174.467 175.900 -0.195 0.000 1.123 393 Y CA -1.307 56.648 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 3.192 123.628 120.400 0.060 0.000 2.371 394 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 394 D C -1.768 174.626 176.300 0.157 0.000 1.193 394 D CA -2.031 51.998 54.000 0.049 0.000 0.881 394 D CB 1.617 42.416 40.800 -0.002 0.000 1.143 394 D HN 0.383 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.562 177.918 177.300 0.092 0.000 1.148 395 P CA 0.884 64.066 63.100 0.136 0.000 0.822 395 P CB 0.363 32.096 31.700 0.055 0.000 0.784 396 D N -1.331 119.133 120.400 0.105 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.776 178.197 176.300 0.202 0.000 0.970 396 D CA 0.599 54.696 54.000 0.161 0.000 0.889 396 D CB 0.012 40.917 40.800 0.175 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.276 120.226 119.914 0.059 0.000 2.672 397 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.229 0.000 1.059 397 V CA 0.590 62.816 62.300 -0.122 0.000 1.081 397 V CB -0.030 31.571 31.823 -0.369 0.000 0.752 397 V HN -0.029 nan 8.190 nan 0.000 0.472 398 R N 0.571 120.900 120.500 -0.286 0.000 2.075 398 R HA 0.066 4.406 4.340 -0.000 0.000 0.232 398 R C 0.558 176.717 176.300 -0.234 0.000 1.126 398 R CA 1.491 57.342 56.100 -0.414 0.000 0.963 398 R CB -0.095 29.802 30.300 -0.671 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.434 121.937 120.570 -0.111 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 60.561 61.300 -0.064 0.000 1.119 399 I CB 1.963 39.927 38.000 -0.059 0.000 1.261 399 I HN 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.941 126.552 120.570 0.068 0.000 2.471 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 400 I C 0.617 176.846 176.117 0.186 0.000 1.079 400 I CA 0.284 61.688 61.300 0.172 0.000 1.398 400 I CB 0.485 38.603 38.000 0.197 0.000 1.403 400 I HN 0.627 nan 8.210 nan 0.000 0.530 401 E N 6.677 126.991 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.672 175.935 176.600 0.013 0.000 0.925 401 E CA -0.602 55.871 56.400 0.121 0.000 0.748 401 E CB 0.556 30.324 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.408 122.154 118.700 0.078 0.000 2.663 402 N HA -0.014 4.726 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 -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.428 120.380 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.071 176.264 175.328 -0.225 0.000 1.004 403 H CA 0.073 56.015 56.048 -0.177 0.000 1.167 403 H CB 0.129 29.793 29.762 -0.163 0.000 1.445 403 H HN 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.752 110.336 108.800 -0.359 0.000 2.512 404 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G C -0.188 174.465 174.900 -0.412 0.000 1.246 404 G CA 0.180 45.103 45.100 -0.295 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.580 111.861 114.554 -0.188 0.000 2.909 405 T HA 0.691 5.040 4.350 -0.000 0.000 0.299 405 T C -0.546 174.112 174.700 -0.071 0.000 1.073 405 T CA -0.144 61.873 62.100 -0.139 0.000 0.999 405 T CB 2.336 71.162 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.280 122.443 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.277 176.297 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.074 29.746 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.224 121.599 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.534 176.803 176.300 -0.051 0.000 1.291 407 D CA -0.251 53.720 54.000 -0.048 0.000 0.836 407 D CB 0.387 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.307 120.481 120.200 -0.044 0.000 2.051 408 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 408 E C 0.685 177.258 176.600 -0.045 0.000 0.991 408 E CA 0.787 57.164 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 2.406 123.598 121.223 -0.052 0.000 2.371 409 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 409 L C -2.005 174.789 176.870 -0.127 0.000 1.124 409 L CA -1.966 52.836 54.840 -0.064 0.000 0.816 409 L CB 0.325 42.355 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.235 nan 4.420 nan 0.000 0.281 410 P C -1.526 175.417 177.300 -0.595 0.000 1.249 410 P CA -0.596 62.270 63.100 -0.389 0.000 0.810 410 P CB 0.636 32.062 31.700 -0.458 0.000 1.008 411 N N 1.056 119.377 118.700 -0.632 0.000 2.372 411 N HA 0.424 5.165 4.740 -0.000 0.000 0.285 411 N C -1.030 174.103 175.510 -0.628 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.876 39.219 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.001 120.196 120.300 -0.174 0.000 2.598 412 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 412 Y C 0.217 175.795 175.900 -0.536 0.000 1.038 412 Y CA -1.428 56.413 58.100 -0.431 0.000 1.100 412 Y CB 1.146 39.184 38.460 -0.704 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.404 119.398 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.026 173.574 174.990 -0.651 0.000 1.226 413 C CA -1.047 57.734 59.018 -0.395 0.000 1.569 413 C CB -0.797 26.845 27.740 -0.163 0.000 2.200 413 C HN 0.613 nan 8.230 nan 0.000 0.491 414 F N 1.045 120.985 119.950 -0.017 0.000 2.639 414 F HA 0.802 5.329 4.527 -0.000 0.000 0.339 414 F C -1.976 173.820 175.800 -0.008 0.000 1.071 414 F CA -2.323 55.655 58.000 -0.037 0.000 0.994 414 F CB 0.331 39.303 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.272 nan 4.420 nan 0.000 0.275 415 P C 0.827 178.121 177.300 -0.010 0.000 1.228 415 P CA -0.285 62.894 63.100 0.132 0.000 0.786 415 P CB 0.750 32.545 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 -0.180 4.160 4.340 -0.000 0.000 0.213 416 L C 2.144 178.632 176.870 -0.636 0.000 1.079 416 L CA 2.225 56.947 54.840 -0.196 0.000 0.758 416 L CB -1.245 40.790 42.059 -0.041 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.808 106.437 108.800 -0.925 0.000 2.985 417 G HA2 0.274 4.234 3.960 -0.000 0.000 0.209 417 G HA3 0.274 4.234 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 0.494 44.581 45.100 -1.688 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.683 106.910 108.800 -0.346 0.000 2.212 418 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G C 0.096 174.952 174.900 -0.072 0.000 0.978 418 G CA 0.511 45.504 45.100 -0.179 0.000 0.632 418 G HN 1.195 nan 8.290 nan 0.000 0.537 419 V N -0.345 119.542 119.914 -0.046 0.000 3.023 419 V HA 0.674 4.794 4.120 -0.000 0.000 0.294 419 V C 0.274 176.427 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.968 33.818 31.823 0.046 0.000 1.093 419 V HN 0.366 nan 8.190 nan 0.000 0.434 420 I N 2.723 123.365 120.570 0.121 0.000 4.922 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.331 420 I C 0.535 176.695 176.117 0.072 0.000 1.260 420 I CA 0.188 61.562 61.300 0.122 0.000 1.366 420 I CB 0.797 38.866 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.826 121.555 118.700 0.049 0.000 3.052 421 N HA 0.114 4.854 4.740 -0.000 0.000 0.302 421 N C -0.114 175.414 175.510 0.030 0.000 1.332 421 N CA 0.177 53.237 53.050 0.017 0.000 1.129 421 N CB -0.111 38.371 38.487 -0.008 0.000 1.436 421 N HN 0.369 nan 8.380 nan 0.000 0.536 422 T N -1.559 113.022 114.554 0.045 0.000 2.860 422 T HA 0.206 4.556 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 -0.638 61.485 62.100 0.039 0.000 1.071 422 T CB 1.397 70.298 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.664 120.872 120.200 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 -0.996 55.406 56.400 0.004 0.000 0.761 423 E CB 1.324 31.022 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.285 118.839 114.554 -0.000 0.000 2.902 424 T HA 0.233 4.583 4.350 -0.000 0.000 0.301 424 T C 0.196 174.892 174.700 -0.006 0.000 1.012 424 T CA 0.073 62.173 62.100 -0.001 0.000 1.151 424 T CB 0.061 68.929 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.842 123.061 121.223 -0.005 0.000 2.303 425 L HA 0.639 4.979 4.340 -0.000 0.000 0.256 425 L C 0.131 176.996 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.776 54.840 -0.015 0.000 0.832 425 L CB 2.570 44.612 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.695 115.238 114.554 -0.019 0.000 2.848 426 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 426 T C -0.576 174.107 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.839 70.709 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.667 123.056 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 427 K C -0.872 175.717 176.600 -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 32.892 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.771 121.677 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.608 175.591 176.094 0.175 0.000 1.115 428 V CA -0.749 61.601 62.300 0.083 0.000 0.998 428 V CB 1.911 33.775 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.602 124.139 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.048 173.656 176.600 0.173 0.000 0.934 429 K CA -1.872 54.527 56.287 0.186 0.000 0.802 429 K CB 1.638 34.186 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.138 121.434 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 -0.000 0.000 0.338 438 W C 0.095 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.371 56.969 57.345 -0.009 0.000 1.209 438 W CB 2.032 31.485 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.345 120.674 120.200 0.214 0.000 2.256 439 E HA 0.646 4.996 4.350 -0.000 0.000 0.268 439 E C -0.318 176.356 176.600 0.124 0.000 0.877 439 E CA -0.870 55.605 56.400 0.125 0.000 0.757 439 E CB 0.872 30.608 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.383 121.837 120.400 0.091 0.000 2.469 440 K HA 0.321 4.641 4.320 -0.000 0.000 0.274 440 K C -0.188 176.453 176.600 0.068 0.000 0.983 440 K CA 0.379 56.709 56.287 0.071 0.000 0.974 440 K CB 0.388 32.919 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.439 120.001 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.659 175.694 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.756 42.600 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.004 115.811 115.700 0.179 0.000 2.672 446 S HA 0.451 4.921 4.470 -0.000 0.000 0.276 446 S C 0.625 175.281 174.600 0.093 0.000 1.207 446 S CA -0.394 57.862 58.200 0.092 0.000 1.002 446 S CB 0.273 63.500 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.386 120.817 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.600 176.919 176.300 0.030 0.000 0.963 447 D CA 1.365 55.388 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 1.244 121.662 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.751 175.863 176.600 0.023 0.000 0.962 448 K CA -0.819 55.479 56.287 0.019 0.000 0.896 448 K CB 0.433 32.936 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.964 120.682 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 -0.000 0.000 0.293 449 N C -1.111 174.411 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.176 40.700 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.733 121.946 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 4.350 -0.000 0.000 0.284 450 E C -0.371 176.247 176.600 0.031 0.000 1.016 450 E CA -0.059 56.355 56.400 0.024 0.000 0.817 450 E CB 1.332 31.049 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.581 123.165 120.570 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 -1.122 60.190 61.300 0.019 0.000 1.057 451 I CB 1.863 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 5.611 126.125 120.500 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 0.926 31.248 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.014 125.933 119.914 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 0.661 62.961 62.300 0.001 0.000 0.851 453 V CB 0.297 32.114 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.364 114.167 108.800 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 -0.613 174.294 174.900 0.012 0.000 1.248 454 G CA -0.755 44.349 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.090 119.799 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.733 176.269 175.510 0.044 0.000 1.264 455 N CA 0.287 53.345 53.050 0.014 0.000 0.942 455 N CB 0.220 38.705 38.487 -0.003 0.000 1.190 455 N HN 0.915 nan 8.380 nan 0.000 0.495 456 N N -0.572 118.159 118.700 0.052 0.000 2.408 456 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 456 N C -0.664 174.948 175.510 0.170 0.000 1.242 456 N CA -0.380 52.737 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 -0.099 119.888 119.950 0.060 0.000 2.467 457 F HA 0.529 5.056 4.527 0.000 0.000 0.362 457 F C -0.162 175.660 175.800 0.038 0.000 1.090 457 F CA -0.714 57.310 58.000 0.039 0.000 1.202 457 F CB -0.165 38.858 39.000 0.038 0.000 1.113 457 F HN 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.642 130.032 122.820 -0.717 0.000 2.498 458 A HA 0.806 5.126 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 -0.903 50.700 52.037 -0.723 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 1.442 120.703 119.600 -0.564 0.000 2.393 459 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 459 M C -0.437 175.786 176.300 -0.129 0.000 1.087 459 M CA -0.175 54.933 55.300 -0.320 0.000 0.937 459 M CB 1.726 34.173 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.239 122.416 120.200 -0.039 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.657 174.889 176.600 -0.091 0.000 0.982 460 E CA -0.596 55.784 56.400 -0.033 0.000 0.842 460 E CB 2.525 32.231 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.703 123.185 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.757 174.279 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.957 39.908 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.598 126.235 118.700 -0.105 0.000 2.767 462 N HA 0.290 5.030 4.740 -0.000 0.000 0.238 462 N C 0.804 176.286 175.510 -0.046 0.000 1.083 462 N CA -0.151 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.506 38.946 38.487 -0.078 0.000 1.252 462 N HN 0.727 nan 8.380 nan 0.000 0.512 463 L N 1.811 123.003 121.223 -0.051 0.000 1.963 463 L HA -0.281 4.059 4.340 -0.000 0.000 0.220 463 L C 1.776 178.653 176.870 0.012 0.000 1.076 463 L CA 1.237 56.065 54.840 -0.020 0.000 0.772 463 L CB -0.434 41.608 42.059 -0.028 0.000 0.892 463 L HN 0.479 nan 8.230 nan 0.000 0.435 464 N N 0.072 118.775 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 464 N C 1.818 177.380 175.510 0.087 0.000 1.031 464 N CA 1.660 54.728 53.050 0.031 0.000 0.852 464 N CB -0.387 38.097 38.487 -0.004 0.000 1.018 464 N HN 0.367 nan 8.380 nan 0.000 0.423 465 A N 1.722 124.587 122.820 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 -0.543 18.504 19.000 0.079 0.000 0.818 465 A HN 0.282 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 -0.144 4.596 4.740 -0.000 0.000 0.194 466 N C 1.822 177.395 175.510 0.106 0.000 1.044 466 N CA 1.741 54.832 53.050 0.069 0.000 0.851 466 N CB -0.469 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 0.087 121.386 121.223 0.126 0.000 1.990 467 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 467 L C 2.505 179.532 176.870 0.261 0.000 1.072 467 L CA 1.417 56.355 54.840 0.163 0.000 0.755 467 L CB -0.632 41.509 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.377 122.709 121.300 0.053 0.000 2.321 468 W HA -0.271 4.389 4.660 -0.000 0.000 0.306 468 W C 2.728 179.333 176.519 0.143 0.000 1.217 468 W CA 1.384 58.773 57.345 0.073 0.000 1.257 468 W CB -0.122 29.346 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.272 120.787 120.500 0.024 0.000 2.080 469 R HA -0.218 4.122 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 2.320 58.355 56.100 -0.107 0.000 0.943 469 R CB -0.707 29.572 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.149 118.582 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.339 176.928 175.510 0.131 0.000 1.017 470 N CA 1.364 54.470 53.050 0.094 0.000 0.859 470 N CB -0.292 38.259 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.797 120.744 119.950 -0.006 0.000 2.146 471 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 471 F C 1.706 177.444 175.800 -0.103 0.000 1.096 471 F CA 1.019 59.015 58.000 -0.008 0.000 1.275 471 F CB -0.181 38.844 39.000 0.041 0.000 1.008 471 F HN -0.030 nan 8.300 nan 0.000 0.480 472 L N -1.156 119.904 121.223 -0.273 0.000 2.027 472 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 472 L C 2.327 179.064 176.870 -0.222 0.000 1.074 472 L CA 1.526 56.133 54.840 -0.387 0.000 0.745 472 L CB -1.052 40.725 42.059 -0.470 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.121 120.292 120.300 -0.216 0.000 2.145 473 Y HA -0.307 4.243 4.550 0.000 0.000 0.286 473 Y C 3.065 178.899 175.900 -0.110 0.000 1.145 473 Y CA 1.794 59.806 58.100 -0.146 0.000 1.148 473 Y CB -0.276 38.114 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.092 115.602 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.797 176.428 174.600 0.050 0.000 1.032 474 S CA 1.780 59.973 58.200 -0.012 0.000 1.005 474 S CB -0.436 62.805 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.045 118.687 118.700 -0.098 0.000 2.395 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.175 475 N C 1.420 176.941 175.510 0.018 0.000 1.029 475 N CA 1.124 54.151 53.050 -0.038 0.000 0.897 475 N CB 0.061 38.275 38.487 -0.455 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.609 121.106 120.570 -0.121 0.000 3.345 476 I HA 0.134 4.304 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 0.274 61.531 61.300 -0.071 0.000 1.457 476 I CB -0.520 37.397 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.456 124.160 122.820 -0.193 0.000 1.870 477 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.139 53.994 52.037 -0.304 0.000 0.650 477 A CB -1.392 17.296 19.000 -0.520 0.000 0.836 477 A HN 0.406 nan 8.150 nan 0.000 0.454 478 L N -2.255 118.668 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 478 L C 2.004 178.577 176.870 -0.494 0.000 1.114 478 L CA 1.053 55.576 54.840 -0.528 0.000 0.777 478 L CB -0.435 41.268 42.059 -0.593 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.963 119.207 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.138 176.965 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.146 38.273 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.255 123.444 121.223 -0.057 0.000 2.492 480 L HA 0.003 4.343 4.340 -0.000 0.000 0.280 480 L C -1.890 174.920 176.870 -0.100 0.000 1.240 480 L CA -1.654 53.137 54.840 -0.082 0.000 0.831 480 L CB 0.055 42.027 42.059 -0.144 0.000 1.100 480 L HN -0.060 nan 8.230 nan 0.000 0.505 481 P HA -0.019 nan 4.420 nan 0.000 0.269 481 P C -0.055 177.182 177.300 -0.105 0.000 1.209 481 P CA -0.105 62.948 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.214 31.700 -0.067 0.000 0.876 482 D N 2.398 122.766 120.400 -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 1.437 55.414 54.000 -0.039 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.362 120.734 120.400 -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 1.057 57.316 56.287 -0.048 0.000 0.933 483 K CB -0.383 32.094 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.676 121.807 121.223 -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 -0.101 0.000 1.128 484 L CA 0.131 54.866 54.840 -0.175 0.000 0.868 484 L CB 0.037 41.903 42.059 -0.322 0.000 1.006 484 L HN 0.096 nan 8.230 nan 0.000 0.454 485 K N -0.064 120.274 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 -0.000 0.000 0.238 485 K C -1.115 175.475 176.600 -0.016 0.000 1.028 485 K CA -0.623 55.585 56.287 -0.132 0.000 0.935 485 K CB 1.225 33.584 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.026 117.200 120.300 -0.123 0.000 2.581 486 Y HA 0.402 4.952 4.550 -0.000 0.000 0.337 486 Y C -1.015 174.814 175.900 -0.118 0.000 1.108 486 Y CA -1.171 56.868 58.100 -0.102 0.000 1.033 486 Y CB 0.918 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 4.471 120.238 115.700 0.113 0.000 2.565 487 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 487 S C -2.457 172.217 174.600 0.122 0.000 1.326 487 S CA -0.860 57.351 58.200 0.018 0.000 1.045 487 S CB 0.278 63.491 63.200 0.022 0.000 0.918 487 S HN 0.554 nan 8.310 nan 0.000 0.505 488 P HA 0.255 nan 4.420 nan 0.000 0.277 488 P C -0.941 176.388 177.300 0.049 0.000 1.240 488 P CA -0.608 62.526 63.100 0.058 0.000 0.798 488 P CB 0.493 32.190 31.700 -0.006 0.000 0.979 489 S N 1.754 117.486 115.700 0.053 0.000 2.565 489 S HA 0.191 4.661 4.470 -0.000 0.000 0.274 489 S C 0.415 174.993 174.600 -0.036 0.000 1.309 489 S CA -0.636 57.570 58.200 0.009 0.000 1.043 489 S CB -0.311 62.895 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 -1.111 174.367 175.510 -0.053 0.000 1.103 490 N CA 0.589 53.605 53.050 -0.057 0.000 0.707 490 N CB -1.546 36.884 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.459 119.435 119.914 -0.033 0.000 2.524 491 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 491 V C 0.604 176.688 176.094 -0.017 0.000 1.035 491 V CA -0.693 61.592 62.300 -0.026 0.000 0.867 491 V CB 1.870 33.681 31.823 -0.020 0.000 1.004 491 V HN 0.335 nan 8.190 nan 0.000 0.426 492 K N 4.676 125.069 120.400 -0.012 0.000 2.448 492 K HA 0.633 4.954 4.320 -0.000 0.000 0.278 492 K C -0.578 176.017 176.600 -0.009 0.000 1.009 492 K CA 0.333 56.617 56.287 -0.005 0.000 0.995 492 K CB 0.642 33.142 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.038 121.610 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.322 176.473 176.117 0.057 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.261 40.250 38.000 -0.018 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.704 119.451 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 -0.000 0.000 0.274 494 S C 0.495 175.156 174.600 0.102 0.000 1.353 494 S CA 0.572 58.821 58.200 0.082 0.000 1.023 494 S CB 0.726 63.969 63.200 0.071 0.000 0.876 494 S HN 0.732 nan 8.310 nan 0.000 0.540 495 D N 0.800 121.213 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 495 D C 0.008 176.224 176.300 -0.139 0.000 0.989 495 D CA 0.292 54.274 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 0.422 nan 8.370 nan 0.000 0.515 496 N N 0.797 119.420 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.928 173.373 175.510 -0.349 0.000 1.069 496 N CA -1.912 51.030 53.050 -0.181 0.000 0.947 496 N CB 1.432 39.871 38.487 -0.080 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.013 nan 4.420 nan 0.000 0.229 497 P C 0.134 177.281 177.300 -0.255 0.000 1.160 497 P CA 0.784 63.366 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.715 0.000 0.814 498 N N -0.981 117.634 118.700 -0.142 0.000 2.383 498 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 498 N C 0.526 176.035 175.510 -0.001 0.000 1.141 498 N CA 0.546 53.573 53.050 -0.038 0.000 0.851 498 N CB -0.321 38.147 38.487 -0.031 0.000 0.976 498 N HN 0.105 nan 8.380 nan 0.000 0.465 499 T N -0.326 114.231 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 499 T C 0.962 175.719 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.265 70.162 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 2.182 178.035 175.900 -0.078 0.000 1.129 500 Y CA 2.079 60.141 58.100 -0.063 0.000 1.161 500 Y CB -0.203 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 -0.928 119.483 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 -0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.859 55.806 54.000 -0.089 0.000 0.840 501 D CB -0.535 40.275 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.503 120.688 120.300 -0.192 0.000 2.089 502 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 502 Y C 2.295 178.039 175.900 -0.260 0.000 1.139 502 Y CA 1.846 59.836 58.100 -0.184 0.000 1.123 502 Y CB -0.375 38.012 38.460 -0.121 0.000 0.980 502 Y HN -0.000 nan 8.280 nan 0.000 0.493 503 M N -0.216 119.264 119.600 -0.199 0.000 2.202 503 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 503 M C 1.792 177.777 176.300 -0.525 0.000 1.063 503 M CA 2.050 57.150 55.300 -0.334 0.000 1.097 503 M CB -0.471 31.982 32.600 -0.245 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.383 118.678 118.700 -0.676 0.000 2.376 504 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 504 N C 1.306 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.032 53.623 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.077 38.487 -1.089 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.558 119.517 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C 0.001 176.377 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.884 56.287 -0.404 0.000 0.984 505 K CB 0.351 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.810 122.000 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 -0.000 0.000 0.281 506 R C -0.043 175.993 176.300 -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 0.014 nan 8.270 nan 0.000 0.409 507 V N 2.807 122.397 119.914 -0.539 0.000 2.612 507 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 507 V C -0.480 175.227 176.094 -0.645 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.576 0.000 0.946 507 V CB 2.042 33.488 31.823 -0.628 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.970 125.675 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.324 176.428 176.094 0.016 0.000 1.062 508 V CA -0.035 62.140 62.300 -0.208 0.000 0.901 508 V CB 1.683 33.366 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.927 130.774 122.820 0.045 0.000 2.404 509 A HA 0.595 4.915 4.320 -0.000 0.000 0.273 509 A C -1.628 176.042 177.584 0.142 0.000 1.144 509 A CA -1.072 51.016 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 1.561 178.896 177.300 0.058 0.000 1.148 510 P CA 1.677 64.875 63.100 0.165 0.000 0.803 510 P CB 0.071 31.689 31.700 -0.136 0.000 0.782 511 G N -0.329 108.494 108.800 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 1.411 176.345 174.900 0.057 0.000 1.122 511 G CA 0.249 45.381 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.327 120.926 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 512 L C 0.874 177.788 176.870 0.073 0.000 1.086 512 L CA 0.557 55.439 54.840 0.070 0.000 0.760 512 L CB 0.142 42.228 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.787 119.137 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.405 175.608 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.515 32.309 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.554 120.810 120.400 -0.240 0.000 2.383 514 D HA 0.129 4.769 4.640 -0.000 0.000 0.248 514 D C 1.506 177.517 176.300 -0.482 0.000 1.170 514 D CA -0.010 53.720 54.000 -0.450 0.000 0.977 514 D CB 2.250 42.629 40.800 -0.703 0.000 1.120 514 D HN 0.537 nan 8.370 nan 0.000 0.481 515 C N 0.651 119.722 119.300 -0.381 0.000 2.400 515 C HA -0.161 4.299 4.460 -0.000 0.000 0.291 515 C C 1.906 176.968 174.990 0.120 0.000 1.372 515 C CA 0.185 59.161 59.018 -0.070 0.000 1.800 515 C CB -2.138 25.721 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.140 119.265 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 -0.000 0.000 0.283 516 Y C 0.788 176.760 175.900 0.120 0.000 1.181 516 Y CA -2.165 56.019 58.100 0.141 0.000 1.256 516 Y CB -1.085 37.432 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.441 124.091 120.570 0.134 0.000 2.533 517 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 517 I C 0.168 176.388 176.117 0.172 0.000 1.109 517 I CA 0.159 61.558 61.300 0.164 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 5.548 124.328 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.082 175.482 175.510 0.090 0.000 0.978 518 N CA 0.502 53.594 53.050 0.070 0.000 0.777 518 N CB -0.907 37.622 38.487 0.071 0.000 0.907 518 N HN 0.549 nan 8.380 nan 0.000 0.543 519 L N 0.101 121.381 121.223 0.095 0.000 2.578 519 L HA 0.014 4.354 4.340 -0.000 0.000 0.279 519 L C 1.657 178.556 176.870 0.048 0.000 1.227 519 L CA 1.212 56.106 54.840 0.091 0.000 0.900 519 L CB 0.087 42.200 42.059 0.090 0.000 1.144 519 L HN 0.646 nan 8.230 nan 0.000 0.496 520 G N 2.628 111.459 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.153 45.277 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.671 122.190 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.362 178.036 177.584 0.149 0.000 1.134 521 A CA -0.165 51.925 52.037 0.089 0.000 0.831 521 A CB 1.043 20.075 19.000 0.054 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.471 122.077 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.596 174.868 176.300 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 3.517 124.826 121.300 0.015 0.000 2.998 523 W HA 0.265 4.925 4.660 -0.000 0.000 0.335 523 W C -1.057 175.457 176.519 -0.009 0.000 1.110 523 W CA -0.648 56.695 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 0.487 nan 8.180 nan 0.000 0.493 524 S N 4.811 120.194 115.700 -0.527 0.000 2.537 524 S HA 0.489 4.959 4.470 -0.000 0.000 0.275 524 S C -0.179 174.151 174.600 -0.451 0.000 1.272 524 S CA -0.695 57.262 58.200 -0.405 0.000 1.050 524 S CB 1.396 64.342 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.816 123.966 121.223 -0.122 0.000 2.499 525 L HA 0.063 4.403 4.340 -0.000 0.000 0.273 525 L C 0.945 177.776 176.870 -0.064 0.000 1.195 525 L CA -0.303 54.549 54.840 0.020 0.000 0.882 525 L CB 0.123 42.240 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.771 122.166 120.400 -0.008 0.000 2.263 526 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 526 D C 1.623 177.899 176.300 -0.039 0.000 0.971 526 D CA 1.416 55.376 54.000 -0.067 0.000 0.867 526 D CB 0.122 40.910 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.171 120.154 120.300 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 0.643 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.129 38.354 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.606 119.076 119.600 0.137 0.000 2.541 528 M HA -0.048 4.432 4.480 -0.000 0.000 0.252 528 M C 1.054 177.344 176.300 -0.018 0.000 1.125 528 M CA 0.630 55.950 55.300 0.034 0.000 1.091 528 M CB -0.724 31.856 32.600 -0.033 0.000 1.420 528 M HN 0.147 nan 8.290 nan 0.000 0.486 529 D N 1.662 122.039 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 529 D C 1.098 177.497 176.300 0.165 0.000 0.998 529 D CA 1.232 55.187 54.000 -0.074 0.000 0.836 529 D CB -0.245 40.437 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.021 118.859 118.700 0.230 0.000 2.314 530 N HA 0.031 4.771 4.740 -0.000 0.000 0.200 530 N C -0.457 175.267 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.339 0.000 0.835 530 N CB 0.944 39.573 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.680 121.702 119.914 0.181 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.586 176.527 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.337 33.173 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.750 126.185 118.700 -0.442 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.438 173.768 175.510 -0.507 0.000 1.331 532 N CA -1.198 51.286 53.050 -0.943 0.000 0.891 532 N CB 1.420 39.693 38.487 -0.356 0.000 1.139 532 N HN 0.339 nan 8.380 nan 0.000 0.487 533 P HA -0.033 nan 4.420 nan 0.000 0.225 533 P C 0.852 177.799 177.300 -0.588 0.000 1.156 533 P CA 0.984 63.641 63.100 -0.738 0.000 0.787 533 P CB 0.002 30.963 31.700 -1.230 0.000 0.802 534 F N -0.201 119.721 119.950 -0.046 0.000 2.367 534 F HA 0.023 4.550 4.527 0.000 0.000 0.298 534 F C 1.102 176.950 175.800 0.080 0.000 1.094 534 F CA 0.402 58.446 58.000 0.073 0.000 1.409 534 F CB -1.150 37.913 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.459 120.275 118.700 0.193 0.000 2.671 535 N HA 0.006 4.746 4.740 -0.000 0.000 0.274 535 N C -0.655 174.980 175.510 0.208 0.000 1.188 535 N CA 0.430 53.602 53.050 0.204 0.000 1.065 535 N CB -0.486 38.125 38.487 0.208 0.000 1.415 535 N HN 0.305 nan 8.380 nan 0.000 0.511 536 H N 0.549 119.652 119.070 0.055 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.767 176.147 175.328 0.086 0.000 1.260 536 H CA -0.380 55.620 56.048 -0.079 0.000 1.160 536 H CB 1.203 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 2.329 121.443 119.070 0.073 0.000 2.546 537 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 537 H C 0.505 176.023 175.328 0.316 0.000 1.004 537 H CA 0.459 56.693 56.048 0.310 0.000 1.231 537 H CB 0.272 30.201 29.762 0.278 0.000 1.382 537 H HN 0.347 nan 8.280 nan 0.000 0.580 538 R N 0.939 121.467 120.500 0.047 0.000 2.388 538 R HA 0.033 4.372 4.340 -0.000 0.000 0.247 538 R C 0.118 176.424 176.300 0.011 0.000 0.931 538 R CA -0.243 55.844 56.100 -0.022 0.000 1.082 538 R CB 0.119 30.326 30.300 -0.155 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.205 119.943 118.700 0.062 0.000 2.415 539 N HA 0.049 4.789 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 -0.014 53.082 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 0.104 nan 8.380 nan 0.000 0.499 540 A N 3.713 126.566 122.820 0.054 0.000 1.908 540 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 540 A C 1.980 179.608 177.584 0.074 0.000 1.181 540 A CA 1.941 54.029 52.037 0.087 0.000 0.627 540 A CB -1.139 17.946 19.000 0.142 0.000 0.818 540 A HN 0.666 nan 8.150 nan 0.000 0.445 541 G N -0.123 108.695 108.800 0.030 0.000 2.459 541 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 541 G HA3 -0.172 3.788 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 1.299 46.315 45.100 -0.141 0.000 0.776 541 G HN 0.652 nan 8.290 nan 0.000 0.552 542 L N 0.486 121.695 121.223 -0.024 0.000 2.056 542 L HA 0.129 4.469 4.340 -0.000 0.000 0.207 542 L C 2.668 179.491 176.870 -0.077 0.000 1.078 542 L CA 2.166 56.998 54.840 -0.012 0.000 0.749 542 L CB -0.615 41.475 42.059 0.051 0.000 0.901 542 L HN 0.231 nan 8.230 nan 0.000 0.433 543 R N -1.674 118.714 120.500 -0.187 0.000 2.083 543 R HA -0.273 4.067 4.340 -0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.153 0.000 1.137 543 R CA 2.160 57.996 56.100 -0.439 0.000 0.951 543 R CB -0.715 29.310 30.300 -0.459 0.000 0.851 543 R HN 0.580 nan 8.270 nan 0.000 0.434 544 Y N 0.760 120.970 120.300 -0.149 0.000 2.181 544 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 544 Y C 2.126 177.978 175.900 -0.080 0.000 1.146 544 Y CA 1.740 59.789 58.100 -0.084 0.000 1.164 544 Y CB -0.008 38.386 38.460 -0.110 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.580 119.884 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 545 R C 2.756 179.013 176.300 -0.072 0.000 1.111 545 R CA 1.237 57.276 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 0.296 115.988 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 546 S C 1.878 176.529 174.600 0.086 0.000 1.029 546 S CA 1.109 59.364 58.200 0.091 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.437 120.054 119.600 0.027 0.000 2.319 547 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 547 M C 1.852 178.105 176.300 -0.079 0.000 1.068 547 M CA 0.589 55.900 55.300 0.018 0.000 1.118 547 M CB -0.287 32.324 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.499 121.596 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.013 178.854 176.870 -0.049 0.000 1.089 548 L CA 1.839 56.549 54.840 -0.216 0.000 0.757 548 L CB -0.637 41.249 42.059 -0.288 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.047 119.174 121.223 -0.004 0.000 2.209 549 L HA 0.260 4.600 4.340 -0.000 0.000 0.207 549 L C 1.143 178.040 176.870 0.045 0.000 1.094 549 L CA 0.500 55.367 54.840 0.046 0.000 0.790 549 L CB -0.381 41.685 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.108 108.938 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G C -0.480 174.520 174.900 0.166 0.000 1.284 550 G CA -0.056 45.096 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.075 118.887 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.731 176.446 175.510 0.343 0.000 1.130 551 N CA 0.790 54.008 53.050 0.279 0.000 0.861 551 N CB 1.015 39.600 38.487 0.163 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.118 108.833 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 -0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 -0.000 0.000 0.331 552 G C 0.400 175.320 174.900 0.033 0.000 1.170 552 G CA -0.733 44.478 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.302 120.162 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 553 R C -0.088 175.964 176.300 -0.414 0.000 1.137 553 R CA 1.114 57.009 56.100 -0.341 0.000 0.943 553 R CB -0.293 29.633 30.300 -0.624 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.191 120.483 120.300 -0.013 0.000 2.365 554 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 554 Y C -0.387 175.514 175.900 0.003 0.000 1.016 554 Y CA -0.650 57.444 58.100 -0.010 0.000 1.196 554 Y CB 1.398 39.863 38.460 0.009 0.000 1.167 554 Y HN -0.236 nan 8.280 nan 0.000 0.509 555 V N 5.735 125.748 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 555 V C -2.594 173.625 176.094 0.209 0.000 1.044 555 V CA -2.164 60.228 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 0.481 nan 4.420 nan 0.000 0.293 556 P C -1.038 176.351 177.300 0.148 0.000 1.300 556 P CA -0.198 62.942 63.100 0.066 0.000 0.792 556 P CB 0.643 32.350 31.700 0.011 0.000 0.925 557 F N 0.127 120.150 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 557 F C -0.570 175.331 175.800 0.169 0.000 1.059 557 F CA -1.121 56.980 58.000 0.169 0.000 0.953 557 F CB 1.741 40.908 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.855 123.068 119.070 0.239 0.000 3.108 558 H HA 0.622 5.178 4.556 -0.000 0.000 0.329 558 H C -1.365 174.023 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.477 31.258 29.762 0.031 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.965 121.644 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.573 174.465 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.719 40.488 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.455 122.150 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.243 174.865 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.524 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 4.240 124.298 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 561 V C -2.220 174.022 176.094 0.248 0.000 1.030 561 V CA -1.966 60.474 62.300 0.233 0.000 0.881 561 V CB 1.479 33.356 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 0.287 562 P C -1.262 175.888 177.300 -0.251 0.000 1.270 562 P CA -0.793 62.080 63.100 -0.378 0.000 0.844 562 P CB 1.086 32.257 31.700 -0.881 0.000 1.068 563 Q N 1.357 120.989 119.800 -0.280 0.000 2.294 563 Q HA 0.179 4.519 4.340 -0.000 0.000 0.257 563 Q C 0.276 176.129 176.000 -0.244 0.000 0.955 563 Q CA 0.607 56.278 55.803 -0.220 0.000 0.936 563 Q CB 0.751 29.361 28.738 -0.214 0.000 1.188 563 Q HN 0.271 nan 8.270 nan 0.000 0.420 564 K N 3.331 123.628 120.400 -0.171 0.000 2.370 564 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 564 K C -0.221 176.275 176.600 -0.172 0.000 1.070 564 K CA -0.259 55.799 56.287 -0.382 0.000 0.998 564 K CB 0.293 32.373 32.500 -0.700 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.805 122.648 119.950 -0.178 0.000 2.604 565 F HA -0.148 4.379 4.527 -0.000 0.000 0.393 565 F C 1.083 176.873 175.800 -0.016 0.000 1.043 565 F CA -0.871 57.127 58.000 -0.004 0.000 1.227 565 F CB 0.196 39.353 39.000 0.261 0.000 1.016 565 F HN 0.070 nan 8.300 nan 0.000 0.556 566 F N 4.382 123.947 119.950 -0.642 0.000 2.161 566 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 566 F C 1.740 177.254 175.800 -0.476 0.000 1.089 566 F CA 1.330 59.053 58.000 -0.461 0.000 1.282 566 F CB -1.196 37.618 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.048 122.916 122.820 -1.587 0.000 2.119 567 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 567 A C 2.058 179.325 177.584 -0.528 0.000 1.153 567 A CA 1.523 52.986 52.037 -0.957 0.000 0.692 567 A CB -1.134 17.437 19.000 -0.716 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.050 116.305 120.570 -0.358 0.000 4.456 568 I HA 0.157 4.327 4.170 -0.000 0.000 0.329 568 I C 1.721 177.638 176.117 -0.333 0.000 1.313 568 I CA 0.505 61.640 61.300 -0.275 0.000 1.205 568 I CB -0.030 37.944 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.193 122.410 120.400 -0.305 0.000 2.113 569 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 569 K C 0.631 177.077 176.600 -0.257 0.000 1.047 569 K CA 2.508 58.650 56.287 -0.241 0.000 0.928 569 K CB -0.690 31.718 32.500 -0.153 0.000 0.716 569 K HN 0.502 nan 8.250 nan 0.000 0.446 570 N N 0.229 118.692 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.836 174.533 175.510 -0.234 0.000 1.182 570 N CA -0.512 52.389 53.050 -0.248 0.000 0.882 570 N CB 0.610 39.049 38.487 -0.080 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.512 122.490 121.223 -0.408 0.000 2.490 571 L HA 0.200 4.540 4.340 -0.000 0.000 0.274 571 L C -0.426 176.391 176.870 -0.088 0.000 1.201 571 L CA -0.156 54.571 54.840 -0.190 0.000 0.869 571 L CB 0.469 42.375 42.059 -0.256 0.000 1.123 571 L HN 0.071 nan 8.230 nan 0.000 0.484 572 L N 5.813 127.043 121.223 0.011 0.000 2.259 572 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 572 L C -0.820 176.020 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.642 54.840 -0.023 0.000 0.824 572 L CB 0.793 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 5.764 126.918 121.223 -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 -0.030 0.000 1.092 573 L CA 0.376 55.119 54.840 -0.161 0.000 0.831 573 L CB 0.622 42.488 42.059 -0.321 0.000 1.159 573 L HN 0.539 nan 8.230 nan 0.000 0.442 574 L N 5.854 127.099 121.223 0.036 0.000 2.479 574 L HA 0.443 4.783 4.340 -0.000 0.000 0.249 574 L C -1.890 175.116 176.870 0.226 0.000 1.178 574 L CA -2.090 52.817 54.840 0.113 0.000 0.811 574 L CB 0.038 42.148 42.059 0.085 0.000 1.187 574 L HN 0.466 nan 8.230 nan 0.000 0.480 575 P HA 0.235 nan 4.420 nan 0.000 0.269 575 P C -0.154 177.236 177.300 0.150 0.000 1.209 575 P CA 0.236 63.439 63.100 0.172 0.000 0.776 575 P CB 0.702 32.455 31.700 0.088 0.000 0.876 576 G N 0.337 109.179 108.800 0.070 0.000 2.368 576 G HA2 0.221 4.181 3.960 -0.000 0.000 0.302 576 G HA3 0.221 4.181 3.960 -0.000 0.000 0.302 576 G C -1.477 173.193 174.900 -0.384 0.000 1.329 576 G CA -0.613 44.361 45.100 -0.209 0.000 0.935 576 G HN 0.377 nan 8.290 nan 0.000 0.590 577 S N -0.188 115.187 115.700 -0.542 0.000 2.451 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 577 S C -1.231 173.018 174.600 -0.584 0.000 1.116 577 S CA -0.339 57.642 58.200 -0.365 0.000 1.093 577 S CB 0.676 63.791 63.200 -0.140 0.000 1.017 577 S HN 0.484 nan 8.310 nan 0.000 0.482 578 Y N 0.332 120.640 120.300 0.014 0.000 2.536 578 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 578 Y C 0.565 176.506 175.900 0.068 0.000 1.000 578 Y CA -1.087 57.032 58.100 0.031 0.000 1.051 578 Y CB 1.255 39.717 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.722 117.434 114.554 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 -0.226 62.020 62.100 0.243 0.000 0.972 579 T CB -0.400 68.562 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.597 124.037 120.300 0.235 0.000 2.328 580 Y HA 0.515 5.065 4.550 0.000 0.000 0.333 580 Y C -0.196 175.960 175.900 0.428 0.000 0.958 580 Y CA -1.753 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.877 39.488 38.460 0.253 0.000 1.151 580 Y HN 0.631 nan 8.280 nan 0.000 0.470 581 E N 6.098 126.463 120.200 0.275 0.000 2.314 581 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 581 E C -1.926 174.728 176.600 0.090 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.673 31.399 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.581 123.747 121.300 -0.222 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.150 175.118 176.519 -0.418 0.000 1.239 582 W CA -0.632 56.468 57.345 -0.409 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.671 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 0.485 5.225 4.740 -0.000 0.000 0.295 583 N C -1.540 173.850 175.510 -0.200 0.000 1.048 583 N CA -0.252 52.691 53.050 -0.179 0.000 0.886 583 N CB 1.685 40.033 38.487 -0.231 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.634 120.748 119.950 0.274 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.024 177.027 175.800 0.339 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.337 40.253 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.452 122.131 120.500 0.298 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 56.047 56.100 0.253 0.000 1.127 585 R CB 0.859 31.124 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.305 120.961 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.472 176.276 176.600 0.247 0.000 1.148 586 K CA -0.080 56.411 56.287 0.340 0.000 1.014 586 K CB 0.602 33.289 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.994 122.573 120.400 0.297 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 -0.036 54.129 54.000 0.275 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 2.491 122.477 119.914 0.120 0.000 2.469 588 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 588 V C 1.693 177.814 176.094 0.045 0.000 1.064 588 V CA 1.430 63.758 62.300 0.046 0.000 1.066 588 V CB -0.624 31.195 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.239 118.509 118.700 0.079 0.000 2.453 589 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 589 N C 1.567 177.194 175.510 0.196 0.000 1.041 589 N CA 1.545 54.639 53.050 0.074 0.000 0.900 589 N CB -0.153 38.353 38.487 0.033 0.000 0.961 589 N HN 0.488 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 2.088 178.480 176.300 0.153 0.000 1.168 590 M CA 0.617 56.023 55.300 0.177 0.000 1.194 590 M CB -0.832 31.834 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.727 119.279 119.914 0.155 0.000 2.871 591 V HA 0.135 4.255 4.120 -0.000 0.000 0.256 591 V C 0.954 177.135 176.094 0.146 0.000 1.082 591 V CA 0.540 62.967 62.300 0.213 0.000 1.105 591 V CB -0.353 31.645 31.823 0.291 0.000 0.713 591 V HN 0.203 nan 8.190 nan 0.000 0.473 592 L N 0.923 122.157 121.223 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 -0.462 54.322 54.840 -0.093 0.000 0.815 592 L CB 1.744 43.681 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.120 120.886 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.529 174.457 176.000 -0.024 0.000 1.062 593 Q CA -0.560 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.520 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 0.794 116.473 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 594 S C 0.561 175.200 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 58.200 0.020 0.000 0.965 594 S CB 1.684 64.873 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.853 116.641 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 595 S C 1.375 176.080 174.600 0.176 0.000 1.014 595 S CA 0.270 58.589 58.200 0.199 0.000 0.950 595 S CB -0.546 62.842 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.558 122.851 121.223 0.116 0.000 2.375 596 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.140 56.030 54.840 0.084 0.000 0.830 596 L CB -1.468 40.630 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.355 109.138 108.800 -0.028 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 -0.160 0.000 1.008 597 G CA 0.497 45.472 45.100 -0.208 0.000 0.724 597 G HN 0.556 nan 8.290 nan 0.000 0.514 598 N N 0.332 118.998 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 598 N C -0.392 175.077 175.510 -0.069 0.000 1.323 598 N CA 0.077 53.116 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 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.275 120.652 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 599 D C 1.110 177.386 176.300 -0.041 0.000 1.226 599 D CA -0.303 53.664 54.000 -0.055 0.000 0.918 599 D CB -0.090 40.690 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.569 124.757 121.223 -0.060 0.000 2.265 600 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 600 L C 2.421 179.280 176.870 -0.018 0.000 1.117 600 L CA 0.681 55.493 54.840 -0.047 0.000 0.782 600 L CB -0.227 41.793 42.059 -0.065 0.000 0.914 600 L HN 0.343 nan 8.230 nan 0.000 0.441 601 R N -0.498 120.003 120.500 0.001 0.000 2.066 601 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 601 R C 2.199 178.513 176.300 0.023 0.000 1.131 601 R CA 1.094 57.212 56.100 0.031 0.000 0.955 601 R CB -0.837 29.503 30.300 0.066 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.234 122.157 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.942 177.041 176.094 0.009 0.000 1.048 602 V CA 1.682 63.991 62.300 0.015 0.000 1.049 602 V CB -0.368 31.462 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.251 120.651 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 603 D C 1.689 177.973 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.102 40.693 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.274 109.066 108.800 -0.014 0.000 2.155 604 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G C 0.604 175.489 174.900 -0.025 0.000 0.983 604 G CA 0.273 45.365 45.100 -0.013 0.000 0.676 604 G HN 0.620 nan 8.290 nan 0.000 0.528 605 A N -0.531 122.265 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 -0.000 0.000 0.248 605 A C 0.637 178.198 177.584 -0.039 0.000 1.082 605 A CA 1.082 53.081 52.037 -0.063 0.000 0.785 605 A CB 0.964 19.909 19.000 -0.092 0.000 1.020 605 A HN 1.477 nan 8.150 nan 0.000 0.489 606 S N 0.448 116.123 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 606 S C -1.177 173.400 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.321 123.860 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.574 174.442 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.717 39.625 38.000 -0.152 0.000 1.255 607 I HN 0.740 nan 8.210 nan 0.000 0.422 608 K N 6.689 127.004 120.400 -0.140 0.000 2.443 608 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 608 K C -2.111 174.369 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.691 56.287 -0.175 0.000 0.792 608 K CB 1.441 33.909 32.500 -0.052 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.321 123.292 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 0.000 0.000 0.358 609 F C 0.856 176.575 175.800 -0.135 0.000 1.120 609 F CA -0.614 57.301 58.000 -0.141 0.000 1.144 609 F CB 1.308 40.029 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.584 120.986 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 610 D C 0.495 176.784 176.300 -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 41.179 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.421 115.233 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 611 S C -1.242 173.293 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.679 64.859 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.231 122.765 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.136 175.125 176.117 0.240 0.000 1.048 612 I CA -0.259 61.025 61.300 -0.027 0.000 1.062 612 I CB 1.075 38.907 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.919 125.377 119.300 0.263 0.000 2.630 613 C HA 0.722 5.182 4.460 -0.000 0.000 0.346 613 C C -0.679 174.384 174.990 0.122 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.724 29.563 27.740 0.164 0.000 2.279 613 C HN 0.688 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 0.607 4.947 4.340 -0.000 0.000 0.278 614 L C -1.479 175.243 176.870 -0.246 0.000 0.996 614 L CA -0.032 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.309 41.898 42.059 -0.783 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.610 123.673 120.300 -0.394 0.000 2.420 615 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 615 Y C 0.212 175.946 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.641 58.100 -0.392 0.000 1.126 615 Y CB 2.269 40.257 38.460 -0.787 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.514 124.400 122.820 0.110 0.000 2.465 616 A HA 0.675 4.995 4.320 -0.000 0.000 0.292 616 A C -1.104 176.566 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.910 19.977 19.000 0.113 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.068 116.642 114.554 0.032 0.000 2.824 617 T HA 0.705 5.055 4.350 -0.000 0.000 0.280 617 T C -0.981 173.734 174.700 0.025 0.000 0.995 617 T CA 0.108 62.296 62.100 0.147 0.000 1.009 617 T CB 0.338 69.303 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.639 121.663 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 618 F C -0.114 175.782 175.800 0.160 0.000 1.116 618 F CA -1.831 56.255 58.000 0.144 0.000 0.930 618 F CB 1.029 40.106 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.150 126.234 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.659 174.249 175.800 0.179 0.000 1.075 619 F CA -2.125 55.970 58.000 0.158 0.000 1.225 619 F CB 0.741 39.807 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA -0.001 nan 4.420 nan 0.000 0.228 620 P C -0.056 177.309 177.300 0.108 0.000 1.748 620 P CA 0.022 63.121 63.100 -0.002 0.000 0.909 620 P CB -0.305 31.324 31.700 -0.117 0.000 1.882 621 M N 1.142 120.996 119.600 0.423 0.000 2.250 621 M HA 0.191 4.671 4.480 -0.000 0.000 0.337 621 M C 0.298 176.799 176.300 0.335 0.000 1.161 621 M CA -0.058 55.544 55.300 0.503 0.000 1.088 621 M CB 0.556 33.435 32.600 0.466 0.000 1.639 621 M HN 0.150 nan 8.290 nan 0.000 0.447 622 A N 4.271 127.253 122.820 0.270 0.000 2.540 622 A HA 0.011 4.331 4.320 -0.000 0.000 0.239 622 A C 0.650 178.407 177.584 0.288 0.000 1.061 622 A CA 0.189 52.349 52.037 0.204 0.000 0.758 622 A CB -0.246 18.847 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 1.999 121.119 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.890 177.256 175.328 0.064 0.000 1.097 623 H CA 1.423 57.512 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 0.851 119.665 118.700 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 1.751 54.874 53.050 0.122 0.000 0.849 624 N CB -1.049 37.496 38.487 0.097 0.000 1.012 624 N HN 0.206 nan 8.380 nan 0.000 0.423 625 T N 1.420 116.045 114.554 0.118 0.000 2.674 625 T HA 0.006 4.356 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 1.996 64.154 62.100 0.098 0.000 1.150 625 T CB -0.679 68.254 68.868 0.110 0.000 0.864 625 T HN 0.514 nan 8.240 nan 0.000 0.427 626 A N 1.535 124.422 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.519 54.610 52.037 0.090 0.000 0.631 626 A CB -1.240 17.824 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.234 114.499 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.998 176.620 174.600 0.037 0.000 1.033 627 S CA 2.340 60.564 58.200 0.039 0.000 1.011 627 S CB -0.803 62.422 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.337 116.917 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 628 T C 1.692 176.407 174.700 0.026 0.000 1.040 628 T CA 1.368 63.489 62.100 0.035 0.000 1.141 628 T CB -0.518 68.373 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.323 122.562 121.223 0.027 0.000 2.083 629 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 629 L C 2.389 179.267 176.870 0.014 0.000 1.083 629 L CA 1.856 56.706 54.840 0.016 0.000 0.752 629 L CB -0.488 41.578 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.280 119.932 120.200 0.020 0.000 2.031 630 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 630 E C 2.138 178.741 176.600 0.005 0.000 0.994 630 E CA 1.261 57.671 56.400 0.017 0.000 0.800 630 E CB -0.272 29.443 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.099 123.925 122.820 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 2.253 54.292 52.037 0.003 0.000 0.638 631 A CB -0.664 18.343 19.000 0.012 0.000 0.823 631 A HN 0.360 nan 8.150 nan 0.000 0.451 632 M N -0.799 118.801 119.600 0.000 0.000 2.086 632 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 632 M C 1.937 178.231 176.300 -0.009 0.000 1.067 632 M CA 1.362 56.661 55.300 -0.002 0.000 1.116 632 M CB -0.471 32.129 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.520 120.696 121.223 -0.011 0.000 2.549 633 L HA -0.123 4.217 4.340 -0.000 0.000 0.229 633 L C 2.264 179.110 176.870 -0.039 0.000 1.158 633 L CA 0.573 55.402 54.840 -0.017 0.000 0.842 633 L CB -0.550 41.503 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.335 120.134 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.098 176.337 176.300 -0.101 0.000 0.961 634 R CA 0.030 56.065 56.100 -0.109 0.000 1.024 634 R CB -0.018 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.699 120.382 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.222 175.782 175.510 0.083 0.000 1.098 635 N CA 0.089 53.154 53.050 0.024 0.000 0.979 635 N CB 1.279 39.776 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.456 120.046 120.400 0.171 0.000 2.182 636 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 636 D C 1.623 177.960 176.300 0.063 0.000 0.986 636 D CA 1.472 55.578 54.000 0.176 0.000 0.847 636 D CB -0.296 40.513 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.211 113.362 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.081 175.781 174.700 0.001 0.000 1.084 637 T CA 0.931 63.034 62.100 0.006 0.000 1.123 637 T CB -0.409 68.459 68.868 0.000 0.000 0.865 637 T HN 0.002 nan 8.240 nan 0.000 0.496 638 N N 1.848 120.554 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.945 174.564 175.510 -0.001 0.000 1.129 638 N CA -0.209 52.839 53.050 -0.003 0.000 0.854 638 N CB 0.158 38.641 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.310 121.720 120.400 0.017 0.000 2.424 639 D HA 0.059 4.699 4.640 -0.000 0.000 0.244 639 D C 0.658 176.931 176.300 -0.045 0.000 1.134 639 D CA 0.394 54.410 54.000 0.027 0.000 0.881 639 D CB 1.055 41.893 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.428 120.195 119.800 -0.055 0.000 2.368 640 Q HA 0.459 4.799 4.340 -0.000 0.000 0.237 640 Q C -0.213 175.604 176.000 -0.305 0.000 0.987 640 Q CA -0.256 55.436 55.803 -0.185 0.000 0.896 640 Q CB 1.042 29.741 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.505 115.789 115.700 -0.694 0.000 2.533 641 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 641 S C -1.375 172.672 174.600 -0.923 0.000 1.143 641 S CA -0.851 57.016 58.200 -0.556 0.000 0.891 641 S CB 0.849 63.907 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.409 121.393 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 0.000 0.000 0.311 642 F C -0.037 175.914 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 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 -0.221 118.703 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.069 173.303 175.510 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.066 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.217 120.400 -0.904 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.916 177.045 176.300 -0.286 0.000 1.128 644 D CA -0.193 53.354 54.000 -0.754 0.000 0.884 644 D CB 0.619 40.812 40.800 -1.011 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.552 123.735 120.300 -0.195 0.000 2.128 645 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 645 Y C 1.696 177.497 175.900 -0.164 0.000 1.154 645 Y CA 1.427 59.443 58.100 -0.140 0.000 1.149 645 Y CB -0.191 38.214 38.460 -0.091 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.358 121.533 121.223 -0.079 0.000 2.046 646 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 646 L C 1.267 177.982 176.870 -0.258 0.000 1.077 646 L CA 1.845 56.600 54.840 -0.142 0.000 0.747 646 L CB -0.859 41.168 42.059 -0.053 0.000 0.896 646 L HN 0.220 nan 8.230 nan 0.000 0.432 647 S N -0.288 115.245 115.700 -0.277 0.000 3.436 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.393 647 S C -0.009 174.454 174.600 -0.229 0.000 0.914 647 S CA 0.475 58.494 58.200 -0.301 0.000 1.317 647 S CB -1.454 61.497 63.200 -0.414 0.000 0.920 647 S HN 0.947 nan 8.310 nan 0.000 0.564 648 A N 0.513 123.249 122.820 -0.140 0.000 2.608 648 A HA 0.843 5.163 4.320 -0.000 0.000 0.292 648 A C -0.555 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.828 19.000 -0.091 0.000 1.277 648 A HN 1.543 nan 8.150 nan 0.000 0.413 649 A N 1.671 124.471 122.820 -0.033 0.000 2.260 649 A HA 0.618 4.938 4.320 -0.000 0.000 0.308 649 A C -0.280 177.362 177.584 0.096 0.000 1.254 649 A CA -0.605 51.410 52.037 -0.037 0.000 0.874 649 A CB -0.053 18.755 19.000 -0.321 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.536 122.343 118.700 0.178 0.000 2.426 650 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 650 N C -0.818 174.869 175.510 0.295 0.000 1.019 650 N CA -0.150 53.103 53.050 0.340 0.000 0.941 650 N CB 1.443 40.205 38.487 0.458 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.329 122.151 119.600 0.370 0.000 2.530 651 M HA 0.513 4.993 4.480 -0.000 0.000 0.307 651 M C -0.896 175.457 176.300 0.089 0.000 1.161 651 M CA -0.634 54.755 55.300 0.148 0.000 0.903 651 M CB 2.124 34.819 32.600 0.159 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.798 123.868 121.223 -0.255 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.669 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.574 43.514 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.937 123.274 120.300 0.062 0.000 2.376 653 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 653 Y C -2.261 173.646 175.900 0.011 0.000 0.965 653 Y CA -2.919 55.206 58.100 0.042 0.000 1.078 653 Y CB 1.480 39.972 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.234 nan 4.420 nan 0.000 0.271 654 P C -0.530 176.808 177.300 0.063 0.000 1.216 654 P CA 0.112 63.253 63.100 0.069 0.000 0.776 654 P CB 1.101 32.826 31.700 0.042 0.000 0.881 655 I N 4.306 124.892 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 -0.000 0.000 0.277 655 I C -2.241 173.873 176.117 -0.005 0.000 1.045 655 I CA -2.715 58.587 61.300 0.004 0.000 1.135 655 I CB 1.653 39.638 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 0.001 177.296 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.567 32.268 31.700 0.001 0.000 0.855 657 A N 2.872 125.687 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 -0.000 0.000 0.240 657 A C 0.932 178.514 177.584 -0.005 0.000 1.053 657 A CA 0.805 52.838 52.037 -0.007 0.000 0.755 657 A CB -1.489 17.509 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.897 117.800 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 4.740 -0.000 0.000 0.225 658 N C 0.345 175.850 175.510 -0.007 0.000 0.883 658 N CA 0.716 53.764 53.050 -0.003 0.000 1.010 658 N CB -1.664 36.825 38.487 0.004 0.000 1.052 658 N HN 1.261 nan 8.380 nan 0.000 0.598 659 A N -0.035 122.779 122.820 -0.011 0.000 2.466 659 A HA 0.442 4.762 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 1.231 53.261 52.037 -0.010 0.000 0.774 659 A CB 0.530 19.525 19.000 -0.008 0.000 1.015 659 A HN 0.230 nan 8.150 nan 0.000 0.498 660 T N 0.242 114.787 114.554 -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 0.058 62.146 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.111 119.811 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.399 174.125 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.642 124.587 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 -0.000 0.000 0.277 662 V C -2.403 173.736 176.094 0.077 0.000 1.012 662 V CA -1.379 60.956 62.300 0.060 0.000 0.832 662 V CB 1.289 33.142 31.823 0.051 0.000 1.028 662 V HN 0.594 nan 8.190 nan 0.000 0.436 663 P HA 0.652 nan 4.420 nan 0.000 0.300 663 P C -0.792 176.487 177.300 -0.036 0.000 1.326 663 P CA -0.501 62.600 63.100 0.001 0.000 0.844 663 P CB 1.931 33.630 31.700 -0.001 0.000 0.992 664 I N -1.027 119.504 120.570 -0.065 0.000 2.608 664 I HA 0.739 4.910 4.170 -0.000 0.000 0.295 664 I C -0.867 175.234 176.117 -0.025 0.000 1.049 664 I CA -0.671 60.549 61.300 -0.134 0.000 1.063 664 I CB 2.567 40.322 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.303 122.022 115.700 0.032 0.000 2.521 665 S HA 0.702 5.172 4.470 -0.000 0.000 0.295 665 S C -0.665 174.012 174.600 0.128 0.000 1.098 665 S CA -0.675 57.569 58.200 0.073 0.000 0.999 665 S CB 1.375 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 5.336 125.992 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.388 173.808 176.117 0.132 0.000 1.012 666 I CA -2.490 58.906 61.300 0.160 0.000 1.119 666 I CB 1.485 39.632 38.000 0.244 0.000 1.261 666 I HN 0.355 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.263 177.601 177.300 0.064 0.000 1.195 667 P CA 0.074 63.209 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 3.229 118.985 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 -0.000 0.000 0.329 668 S C 0.360 174.982 174.600 0.037 0.000 1.231 668 S CA 0.289 58.566 58.200 0.128 0.000 1.042 668 S CB -0.408 62.845 63.200 0.087 0.000 0.756 668 S HN 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.208 123.740 120.500 0.053 0.000 2.829 669 R HA 0.434 4.774 4.340 -0.000 0.000 0.267 669 R C -1.094 175.079 176.300 -0.211 0.000 1.051 669 R CA -1.119 54.859 56.100 -0.204 0.000 0.927 669 R CB 0.376 30.350 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.141 118.339 118.700 -0.367 0.000 2.499 670 N HA 0.112 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 -0.237 52.686 53.050 -0.212 0.000 0.979 670 N CB 0.653 39.070 38.487 -0.118 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.854 123.191 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.746 177.337 176.519 0.121 0.000 1.043 671 W CA -0.387 56.968 57.345 0.017 0.000 1.692 671 W CB -0.027 29.397 29.460 -0.060 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.080 124.070 122.820 0.284 0.000 2.546 672 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 672 A C 1.505 179.233 177.584 0.240 0.000 1.063 672 A CA 1.244 53.432 52.037 0.252 0.000 0.757 672 A CB -0.098 19.000 19.000 0.165 0.000 0.991 672 A HN 1.162 nan 8.150 nan 0.000 0.503 673 A N 1.539 124.513 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.260 673 A C 0.384 178.208 177.584 0.400 0.000 1.168 673 A CA 0.758 52.963 52.037 0.280 0.000 1.253 673 A CB -2.606 16.495 19.000 0.169 0.000 1.122 673 A HN 2.016 nan 8.150 nan 0.000 0.934 674 F N 1.887 121.954 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 674 F C 1.421 177.261 175.800 0.068 0.000 1.077 674 F CA 0.746 58.793 58.000 0.078 0.000 1.268 674 F CB 0.432 39.379 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.312 123.371 120.500 -0.736 0.000 2.195 675 R HA 0.417 4.757 4.340 -0.000 0.000 0.197 675 R C 0.769 176.560 176.300 -0.849 0.000 0.990 675 R CA 0.387 56.130 56.100 -0.595 0.000 1.048 675 R CB 0.072 30.099 30.300 -0.456 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.154 107.634 108.800 -1.687 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 -1.850 172.526 174.900 -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 -0.101 121.103 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 0.000 0.000 0.346 677 W C 0.126 176.598 176.519 -0.079 0.000 1.071 677 W CA -0.311 56.977 57.345 -0.095 0.000 1.206 677 W CB 2.444 31.891 29.460 -0.021 0.000 1.413 677 W HN 1.233 nan 8.180 nan 0.000 0.542 678 A N 2.942 125.840 122.820 0.131 0.000 2.455 678 A HA 0.920 5.240 4.320 -0.000 0.000 0.300 678 A C -1.616 175.948 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.488 20.367 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.609 119.199 119.950 -0.238 0.000 2.693 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 679 F C -0.244 175.319 175.800 -0.395 0.000 1.129 679 F CA -0.388 57.406 58.000 -0.343 0.000 0.948 679 F CB 1.195 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.680 nan 8.300 nan 0.000 0.447 680 T N -0.457 114.019 114.554 -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 1.987 70.600 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.252 120.941 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.912 174.441 176.300 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 31.275 30.300 0.037 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.262 123.544 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.341 176.539 176.870 0.016 0.000 1.016 682 L CA -1.173 53.711 54.840 0.073 0.000 0.821 682 L CB 1.885 44.032 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.120 120.290 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.545 177.137 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.572 34.085 32.500 0.023 0.000 1.062 683 K HN 0.587 nan 8.250 nan 0.000 0.465 684 T N 2.068 116.610 114.554 -0.019 0.000 2.759 684 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 684 T C 2.302 176.993 174.700 -0.016 0.000 1.042 684 T CA 2.106 64.192 62.100 -0.022 0.000 1.140 684 T CB -0.134 68.722 68.868 -0.020 0.000 0.864 684 T HN 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.619 121.991 120.400 -0.047 0.000 2.147 685 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 685 K C 1.747 178.218 176.600 -0.215 0.000 1.049 685 K CA 1.562 57.794 56.287 -0.090 0.000 0.936 685 K CB -0.760 31.667 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.226 120.263 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 -0.000 0.000 0.189 686 E C -0.468 176.179 176.600 0.078 0.000 1.054 686 E CA 0.021 56.200 56.400 -0.367 0.000 0.874 686 E CB 0.581 30.092 29.700 -0.314 0.000 1.011 686 E HN 0.363 nan 8.360 nan 0.000 0.474 687 T N 3.463 118.067 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.129 174.700 -0.145 0.000 1.140 687 T CA -1.692 60.397 62.100 -0.019 0.000 1.040 687 T CB 1.075 69.878 68.868 -0.108 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.110 nan 4.420 nan 0.000 0.268 688 P C -0.008 177.030 177.300 -0.438 0.000 1.208 688 P CA -0.254 62.302 63.100 -0.906 0.000 0.777 688 P CB 0.560 31.488 31.700 -1.285 0.000 0.875 689 S N 1.473 116.973 115.700 -0.333 0.000 2.499 689 S HA 0.214 4.684 4.470 -0.000 0.000 0.275 689 S C 0.939 175.422 174.600 -0.195 0.000 1.257 689 S CA -0.638 57.434 58.200 -0.214 0.000 1.050 689 S CB -0.620 62.505 63.200 -0.125 0.000 0.937 689 S HN 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.422 125.547 121.223 -0.163 0.000 2.640 690 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 690 L C 2.056 178.908 176.870 -0.030 0.000 1.123 690 L CA 0.078 54.869 54.840 -0.080 0.000 0.900 690 L CB -0.207 41.827 42.059 -0.043 0.000 1.146 690 L HN 0.848 nan 8.230 nan 0.000 0.484 691 G N 0.527 109.296 108.800 -0.051 0.000 3.340 691 G HA2 0.148 4.108 3.960 -0.000 0.000 0.240 691 G HA3 0.148 4.108 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 0.624 45.707 45.100 -0.027 0.000 1.170 691 G HN 0.387 nan 8.290 nan 0.000 0.520 692 S N -3.547 112.149 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.864 175.489 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.761 63.942 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.239 108.595 108.800 0.056 0.000 2.509 693 G HA2 0.182 4.142 3.960 -0.000 0.000 0.218 693 G HA3 0.182 4.142 3.960 -0.000 0.000 0.218 693 G C -0.043 174.846 174.900 -0.018 0.000 1.124 693 G CA 1.095 46.304 45.100 0.181 0.000 0.776 693 G HN 1.024 nan 8.290 nan 0.000 0.547 694 Y N -0.421 119.645 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.060 173.683 175.900 -0.262 0.000 1.100 694 Y CA -1.590 56.245 58.100 -0.443 0.000 1.034 694 Y CB 2.121 40.039 38.460 -0.904 0.000 1.285 694 Y HN -0.071 nan 8.280 nan 0.000 0.440 695 D N 8.014 127.981 120.400 -0.721 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.953 173.977 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.192 54.000 -0.501 0.000 0.883 695 D CB 1.788 42.398 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.138 nan 4.420 nan 0.000 0.219 696 P C 0.492 177.587 177.300 -0.341 0.000 1.146 696 P CA 0.999 63.864 63.100 -0.390 0.000 0.808 696 P CB -0.014 31.365 31.700 -0.534 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.186 4.736 4.550 -0.000 0.000 0.284 697 Y C 0.757 176.703 175.900 0.077 0.000 1.188 697 Y CA -0.987 57.128 58.100 0.025 0.000 1.269 697 Y CB -1.170 37.301 38.460 0.018 0.000 1.094 697 Y HN -0.103 nan 8.280 nan 0.000 0.518 698 Y N 2.441 122.730 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 698 Y C 0.626 176.543 175.900 0.028 0.000 1.025 698 Y CA -1.384 56.714 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 3.126 117.594 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.079 173.533 174.700 -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 0.489 nan 8.240 nan 0.000 0.632 700 Y N 0.861 120.812 120.300 -0.581 0.000 2.519 700 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 700 Y C -0.124 175.530 175.900 -0.410 0.000 1.089 700 Y CA -0.794 57.044 58.100 -0.438 0.000 1.025 700 Y CB 2.044 40.255 38.460 -0.416 0.000 1.318 700 Y HN 0.224 nan 8.280 nan 0.000 0.452 701 S N 1.876 117.045 115.700 -0.886 0.000 2.952 701 S HA 0.473 4.943 4.470 -0.000 0.000 0.251 701 S C 0.394 174.603 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.084 63.117 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.051 110.020 108.800 -1.385 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 0.072 174.963 174.900 -0.014 0.000 1.416 702 G CA -0.147 44.638 45.100 -0.526 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.306 114.536 115.700 0.237 0.000 2.568 703 S HA 0.280 4.750 4.470 -0.000 0.000 0.282 703 S C -0.022 174.800 174.600 0.371 0.000 1.338 703 S CA -0.277 58.071 58.200 0.247 0.000 1.045 703 S CB 0.381 63.706 63.200 0.210 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.314 125.036 120.570 0.253 0.000 2.503 704 I HA 0.290 4.460 4.170 -0.000 0.000 0.277 704 I C -1.839 174.365 176.117 0.145 0.000 1.078 704 I CA -2.357 59.106 61.300 0.272 0.000 1.184 704 I CB 1.489 39.654 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.283 nan 4.420 nan 0.000 0.218 705 P C 1.566 178.872 177.300 0.009 0.000 1.154 705 P CA 1.635 64.708 63.100 -0.046 0.000 0.872 705 P CB 0.024 31.838 31.700 0.190 0.000 0.790 706 Y N 0.007 120.381 120.300 0.124 0.000 2.256 706 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 706 Y C 1.968 177.917 175.900 0.082 0.000 1.155 706 Y CA 1.558 59.728 58.100 0.117 0.000 1.203 706 Y CB -0.669 37.744 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.824 120.432 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 707 L C 1.645 178.472 176.870 -0.072 0.000 1.061 707 L CA 0.844 55.677 54.840 -0.012 0.000 0.834 707 L CB -0.219 41.908 42.059 0.115 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.882 119.449 120.400 -0.115 0.000 2.366 708 D HA 0.085 4.725 4.640 -0.000 0.000 0.205 708 D C 1.472 177.561 176.300 -0.351 0.000 1.022 708 D CA 0.815 54.711 54.000 -0.172 0.000 0.868 708 D CB 0.329 41.064 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.233 108.648 108.800 -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 0.673 175.061 174.900 -0.854 0.000 0.984 709 G CA 0.458 44.947 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.361 113.754 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 -0.000 0.000 0.231 710 T C 0.599 175.292 174.700 -0.012 0.000 0.865 710 T CA -0.535 61.168 62.100 -0.663 0.000 0.926 710 T CB -0.655 67.594 68.868 -1.030 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 0.479 0.000 1.103 711 F CA -1.073 57.097 58.000 0.283 0.000 1.286 711 F CB 0.018 39.090 39.000 0.120 0.000 1.105 711 F HN 0.512 nan 8.300 nan 0.000 0.583 712 Y N -0.496 120.087 120.300 0.471 0.000 2.890 712 Y HA 0.499 5.049 4.550 -0.000 0.000 0.266 712 Y C -0.325 175.768 175.900 0.321 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.772 37.903 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.856 122.028 121.223 -0.085 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.916 177.685 176.870 -0.170 0.000 1.232 713 L CA -0.099 54.594 54.840 -0.245 0.000 1.031 713 L CB 0.112 41.966 42.059 -0.342 0.000 1.379 713 L HN 0.173 nan 8.230 nan 0.000 0.563 714 N N 0.589 119.323 118.700 0.056 0.000 2.364 714 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 714 N C 1.663 177.540 175.510 0.612 0.000 1.022 714 N CA 1.040 54.242 53.050 0.254 0.000 0.883 714 N CB -0.098 38.191 38.487 -0.329 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.690 118.589 119.070 0.349 0.000 2.556 715 H HA 0.104 4.660 4.556 -0.000 0.000 0.268 715 H C 1.074 176.442 175.328 0.067 0.000 0.996 715 H CA 1.171 57.265 56.048 0.077 0.000 1.157 715 H CB -0.482 29.107 29.762 -0.288 0.000 1.355 715 H HN 0.129 nan 8.280 nan 0.000 0.597 716 T N -2.403 112.032 114.554 -0.198 0.000 3.107 716 T HA 0.116 4.466 4.350 -0.000 0.000 0.249 716 T C 0.246 174.866 174.700 -0.133 0.000 1.096 716 T CA -0.522 61.463 62.100 -0.191 0.000 1.012 716 T CB -0.658 68.002 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.577 121.602 119.950 0.125 0.000 2.412 717 F HA 0.522 5.049 4.527 0.000 0.000 0.348 717 F C 1.499 177.304 175.800 0.008 0.000 1.102 717 F CA -0.726 57.346 58.000 0.120 0.000 1.196 717 F CB 1.516 40.663 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.568 122.046 120.400 0.130 0.000 2.225 718 K HA 0.162 4.482 4.320 -0.000 0.000 0.204 718 K C -0.389 176.189 176.600 -0.038 0.000 1.047 718 K CA 0.496 56.804 56.287 0.035 0.000 0.970 718 K CB 0.477 32.988 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.094 119.291 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.493 175.017 176.600 -0.149 0.000 1.017 719 K CA -1.094 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.151 34.607 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.206 119.583 119.914 -0.209 0.000 2.668 720 V HA 0.775 4.895 4.120 -0.000 0.000 0.304 720 V C -1.140 174.825 176.094 -0.214 0.000 1.071 720 V CA -0.750 61.300 62.300 -0.417 0.000 0.894 720 V CB 1.531 32.971 31.823 -0.639 0.000 1.008 720 V HN 0.972 nan 8.190 nan 0.000 0.425 721 A N 5.624 128.257 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.842 176.605 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.167 0.000 0.810 721 A CB 0.685 19.607 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.305 122.814 120.570 -0.103 0.000 2.404 722 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 722 I C -0.362 175.732 176.117 -0.038 0.000 0.992 722 I CA -0.096 61.103 61.300 -0.168 0.000 1.149 722 I CB 2.367 40.244 38.000 -0.206 0.000 1.315 722 I HN 0.623 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 -0.137 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.051 69.914 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.005 122.009 119.950 0.089 0.000 2.399 724 F HA 0.355 4.882 4.527 0.000 0.000 0.334 724 F C 0.856 176.723 175.800 0.112 0.000 1.097 724 F CA -0.491 57.554 58.000 0.075 0.000 1.076 724 F CB 0.868 39.923 39.000 0.091 0.000 1.162 724 F HN 0.612 nan 8.300 nan 0.000 0.495 725 D N 2.510 123.106 120.400 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 1.338 55.475 54.000 0.228 0.000 0.649 725 D CB -1.284 39.663 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.287 113.477 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.538 176.181 174.600 0.072 0.000 1.304 726 S CA 2.956 61.199 58.200 0.072 0.000 1.224 726 S CB -1.696 61.540 63.200 0.061 0.000 1.480 726 S HN 1.048 nan 8.310 nan 0.000 0.698 727 S N -2.394 113.366 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 -0.000 0.000 0.264 727 S C 0.213 174.877 174.600 0.106 0.000 1.078 727 S CA 0.584 58.835 58.200 0.086 0.000 0.918 727 S CB 0.076 63.321 63.200 0.075 0.000 0.882 727 S HN 1.028 nan 8.310 nan 0.000 0.466 728 V N 3.284 123.293 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 -0.000 0.000 0.273 728 V C 0.271 176.509 176.094 0.241 0.000 1.045 728 V CA -0.283 62.133 62.300 0.194 0.000 0.976 728 V CB 1.005 32.968 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.139 120.952 115.700 0.188 0.000 2.465 729 S HA 0.387 4.857 4.470 -0.000 0.000 0.279 729 S C -0.827 173.942 174.600 0.281 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.138 63.388 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.484 128.913 121.300 0.215 0.000 2.478 730 W HA 0.492 5.152 4.660 -0.000 0.000 0.318 730 W C -2.037 174.650 176.519 0.281 0.000 1.062 730 W CA -2.197 55.337 57.345 0.315 0.000 1.210 730 W CB 1.517 31.318 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 0.974 178.022 177.300 -0.420 0.000 1.223 731 P CA 1.056 63.479 63.100 -1.128 0.000 0.796 731 P CB 0.314 31.279 31.700 -1.224 0.000 1.068 732 G N 1.658 110.335 108.800 -0.204 0.000 2.602 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G C 0.486 175.300 174.900 -0.143 0.000 1.301 732 G CA 0.479 45.512 45.100 -0.112 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.547 733 N N -0.066 118.577 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.731 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.476 55.471 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.659 38.487 -0.117 0.000 1.148 733 N HN 1.356 nan 8.380 nan 0.000 0.572 734 D N -1.817 118.532 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 734 D C 1.226 177.479 176.300 -0.079 0.000 1.158 734 D CA 1.154 55.110 54.000 -0.073 0.000 0.805 734 D CB -0.389 40.381 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.366 120.072 120.500 -0.104 0.000 2.062 735 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 735 R C 1.300 177.563 176.300 -0.062 0.000 1.136 735 R CA 0.743 56.795 56.100 -0.080 0.000 0.948 735 R CB -0.255 29.986 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.118 122.271 121.223 -0.117 0.000 2.421 736 L HA 0.146 4.486 4.340 -0.000 0.000 0.263 736 L C 1.992 178.777 176.870 -0.141 0.000 1.122 736 L CA -0.443 54.312 54.840 -0.141 0.000 0.804 736 L CB 0.486 42.396 42.059 -0.248 0.000 1.150 736 L HN 0.007 nan 8.230 nan 0.000 0.457 737 L N 0.540 121.651 121.223 -0.187 0.000 2.127 737 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 737 L C 1.260 178.051 176.870 -0.130 0.000 1.089 737 L CA 1.529 56.215 54.840 -0.257 0.000 0.757 737 L CB -0.483 41.194 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.421 110.065 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.630 173.001 174.700 -0.114 0.000 1.640 738 T CA -1.772 60.298 62.100 -0.049 0.000 1.631 738 T CB 0.661 69.533 68.868 0.007 0.000 0.928 738 T HN -0.099 nan 8.240 nan 0.000 0.688 739 P HA -0.197 nan 4.420 nan 0.000 0.219 739 P C 1.082 178.292 177.300 -0.150 0.000 1.151 739 P CA 1.305 64.320 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.017 118.622 118.700 -0.103 0.000 2.515 740 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 740 N C 0.596 176.048 175.510 -0.097 0.000 1.109 740 N CA 0.674 53.677 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 -1.602 118.503 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.531 56.400 -0.141 0.000 0.863 741 E CB 0.248 29.904 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 0.278 4.805 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 40.195 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.096 124.302 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 4.350 -0.000 0.000 0.284 743 E C 0.750 177.249 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.218 56.400 -0.062 0.000 0.819 743 E CB 1.052 30.750 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.543 123.865 120.570 -0.413 0.000 2.353 744 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 744 I C 0.610 176.591 176.117 -0.226 0.000 1.119 744 I CA 1.248 62.084 61.300 -0.774 0.000 1.417 744 I CB 0.038 37.385 38.000 -1.089 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.184 120.200 120.400 -0.027 0.000 2.568 745 K HA 0.700 5.020 4.320 -0.000 0.000 0.273 745 K C -0.970 175.693 176.600 0.106 0.000 0.951 745 K CA -0.927 55.441 56.287 0.135 0.000 0.854 745 K CB 1.776 34.457 32.500 0.301 0.000 1.424 745 K HN -0.203 nan 8.250 nan 0.000 0.427 746 R N 0.464 121.043 120.500 0.131 0.000 2.740 746 R HA 0.563 4.903 4.340 -0.000 0.000 0.282 746 R C -0.841 175.519 176.300 0.099 0.000 0.969 746 R CA -0.590 55.571 56.100 0.102 0.000 0.918 746 R CB 2.123 32.486 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.796 117.539 115.700 0.071 0.000 2.461 747 S HA 0.408 4.878 4.470 -0.000 0.000 0.322 747 S C 1.164 175.791 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.360 63.591 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.319 121.262 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 -0.000 0.000 0.092 748 V C 2.369 178.472 176.094 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 0.369 120.774 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 -0.000 0.000 0.203 749 D C 1.786 178.070 176.300 -0.026 0.000 0.988 749 D CA 2.065 56.060 54.000 -0.009 0.000 0.864 749 D CB -0.577 40.218 40.800 -0.008 0.000 0.928 749 D HN 1.225 nan 8.370 nan 0.000 0.469 750 G N -1.207 107.587 108.800 -0.010 0.000 3.690 750 G HA2 0.262 4.222 3.960 -0.000 0.000 0.283 750 G HA3 0.262 4.222 3.960 -0.000 0.000 0.283 750 G C 1.038 175.940 174.900 0.003 0.000 1.057 750 G CA 0.480 45.561 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.656 121.865 120.200 0.015 0.000 2.132 751 E HA -0.228 4.122 4.350 -0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.753 58.177 56.400 0.040 0.000 0.882 751 E CB -0.854 28.862 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.438 108.370 108.800 0.013 0.000 2.550 752 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.222 752 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.222 752 G C 1.228 176.253 174.900 0.209 0.000 1.113 752 G CA 1.194 46.322 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.977 121.297 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 0.000 0.000 0.281 753 Y C 1.036 176.963 175.900 0.045 0.000 1.174 753 Y CA -1.116 57.007 58.100 0.038 0.000 1.295 753 Y CB -0.416 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 -0.536 118.281 118.700 0.195 0.000 2.434 754 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 754 N C -0.432 175.119 175.510 0.069 0.000 1.223 754 N CA -0.116 53.009 53.050 0.126 0.000 0.972 754 N CB 2.210 40.768 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.076 118.846 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.436 175.576 176.094 -0.136 0.000 1.310 755 V CA 0.026 62.271 62.300 -0.092 0.000 1.067 755 V CB 1.343 33.047 31.823 -0.199 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.690 124.370 122.820 -0.234 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.766 178.335 177.584 -0.026 0.000 1.393 756 A CA 2.041 53.974 52.037 -0.175 0.000 0.909 756 A CB -2.282 16.572 19.000 -0.243 0.000 1.012 756 A HN 1.699 nan 8.150 nan 0.000 0.653 757 Q N -4.394 115.403 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.309 176.348 176.000 0.065 0.000 1.127 757 Q CA 1.206 57.027 55.803 0.029 0.000 0.952 757 Q CB -2.744 26.004 28.738 0.017 0.000 1.333 757 Q HN 2.175 nan 8.270 nan 0.000 0.494 758 C N -2.380 116.980 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.197 176.311 174.990 0.206 0.000 1.694 758 C CA -0.197 58.925 59.018 0.173 0.000 1.244 758 C CB 0.899 28.767 27.740 0.213 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.673 119.558 118.700 0.308 0.000 2.370 759 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 759 N C 0.148 175.845 175.510 0.313 0.000 1.156 759 N CA -0.017 53.206 53.050 0.289 0.000 0.839 759 N CB -0.243 38.412 38.487 0.280 0.000 0.989 759 N HN 0.888 nan 8.380 nan 0.000 0.468 760 M N 1.659 121.423 119.600 0.274 0.000 2.242 760 M HA 0.097 4.577 4.480 -0.000 0.000 0.344 760 M C 0.162 176.547 176.300 0.141 0.000 1.140 760 M CA -0.302 55.103 55.300 0.175 0.000 1.160 760 M CB 0.937 33.545 32.600 0.013 0.000 1.491 760 M HN 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.110 115.755 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.749 175.523 174.700 0.122 0.000 1.004 761 T CA -0.635 61.546 62.100 0.136 0.000 1.043 761 T CB 1.147 70.091 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.566 121.012 120.400 0.077 0.000 2.057 762 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 762 K C 1.856 178.512 176.600 0.093 0.000 1.049 762 K CA 1.669 58.000 56.287 0.074 0.000 0.931 762 K CB -0.207 32.316 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.173 120.593 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.816 176.300 0.047 0.000 0.997 763 D CA 0.924 54.932 54.000 0.013 0.000 0.834 763 D CB -0.283 40.505 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 -0.237 4.423 4.660 0.000 0.000 0.303 764 W C 2.130 178.503 176.519 -0.243 0.000 1.208 764 W CA 0.511 57.745 57.345 -0.184 0.000 1.274 764 W CB -0.545 28.790 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.267 121.075 119.950 -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 1.894 59.670 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 -0.135 nan 8.300 nan 0.000 0.485 766 L N -0.288 120.848 121.223 -0.146 0.000 2.027 766 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 766 L C 2.167 178.807 176.870 -0.383 0.000 1.074 766 L CA 1.703 56.488 54.840 -0.092 0.000 0.745 766 L CB -0.997 41.083 42.059 0.035 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.277 119.310 119.914 -0.545 0.000 2.358 767 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 767 V C 2.691 178.291 176.094 -0.822 0.000 1.047 767 V CA 1.629 63.471 62.300 -0.763 0.000 1.035 767 V CB -0.794 30.479 31.823 -0.916 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.904 118.243 119.800 -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 -0.816 0.000 0.978 768 Q CA 1.331 56.429 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 -0.015 119.173 119.600 -0.686 0.000 2.132 769 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 769 M C 2.299 178.471 176.300 -0.213 0.000 1.065 769 M CA 1.143 56.253 55.300 -0.317 0.000 1.122 769 M CB -0.897 31.498 32.600 -0.341 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.327 120.717 121.223 -0.299 0.000 2.044 770 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 770 L C 2.779 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.149 55.859 54.840 -0.216 0.000 0.747 770 L CB -0.989 40.952 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 2.105 179.503 177.584 -0.311 0.000 1.176 771 A CA 2.069 53.958 52.037 -0.246 0.000 0.631 771 A CB -0.598 18.216 19.000 -0.310 0.000 0.814 771 A HN 0.506 nan 8.150 nan 0.000 0.446 772 N N -2.105 116.306 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.475 175.478 175.510 -0.845 0.000 1.019 772 N CA 1.496 54.079 53.050 -0.778 0.000 0.869 772 N CB 0.048 37.796 38.487 -1.231 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.787 119.439 120.300 -0.123 0.000 2.672 773 Y HA 0.350 4.900 4.550 -0.000 0.000 0.252 773 Y C 0.060 175.890 175.900 -0.117 0.000 1.132 773 Y CA -0.641 57.387 58.100 -0.121 0.000 1.228 773 Y CB 0.106 38.469 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.663 119.354 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 774 N C -0.725 174.752 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.860 53.050 -0.017 0.000 0.804 774 N CB -1.420 37.084 38.487 0.028 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.630 119.876 120.570 -0.107 0.000 2.331 775 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 775 I C 1.465 177.389 176.117 -0.322 0.000 0.998 775 I CA 0.522 61.680 61.300 -0.236 0.000 1.267 775 I CB 1.504 39.263 38.000 -0.402 0.000 1.386 775 I HN 0.234 nan 8.210 nan 0.000 0.476 776 G N 3.972 112.503 108.800 -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 0.422 174.917 174.900 -0.675 0.000 0.972 776 G CA -0.211 44.454 45.100 -0.725 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.416 121.593 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 0.000 0.000 0.287 777 Y C 2.172 177.999 175.900 -0.122 0.000 1.128 777 Y CA 1.116 59.131 58.100 -0.143 0.000 1.282 777 Y CB 0.438 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 0.068 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.078 176.095 176.000 0.028 0.000 0.899 778 Q CA -0.042 55.780 55.803 0.031 0.000 1.139 778 Q CB 0.951 29.732 28.738 0.073 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.594 109.330 108.800 -0.106 0.000 2.690 779 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G C -1.119 173.695 174.900 -0.145 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.156 nan 8.290 nan 0.000 0.613 780 F N 1.242 121.257 119.950 0.108 0.000 2.421 780 F HA 0.825 5.352 4.527 0.000 0.000 0.337 780 F C 0.708 176.556 175.800 0.080 0.000 1.105 780 F CA -0.236 57.761 58.000 -0.005 0.000 1.049 780 F CB 1.622 40.706 39.000 0.141 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.186 120.195 120.300 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 -2.128 55.961 58.100 -0.018 0.000 1.055 781 Y CB 0.455 38.891 38.460 -0.040 0.000 1.304 781 Y HN 0.344 nan 8.280 nan 0.000 0.455 782 I N 4.303 124.801 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 782 I C -2.021 173.852 176.117 -0.405 0.000 1.140 782 I CA -1.476 59.513 61.300 -0.518 0.000 1.420 782 I CB 0.353 38.170 38.000 -0.305 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.130 nan 4.420 nan 0.000 0.269 783 P C -0.225 176.849 177.300 -0.377 0.000 1.215 783 P CA -0.212 62.506 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.254 31.700 -1.258 0.000 0.898 784 E N 0.963 120.985 120.200 -0.297 0.000 2.415 784 E HA 0.093 4.443 4.350 -0.000 0.000 0.263 784 E C 1.337 177.736 176.600 -0.335 0.000 0.995 784 E CA 0.227 56.464 56.400 -0.273 0.000 0.915 784 E CB -0.721 28.779 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.021 116.638 115.700 -0.138 0.000 2.389 785 S HA -0.320 4.150 4.470 -0.000 0.000 0.231 785 S C 1.953 176.532 174.600 -0.035 0.000 1.052 785 S CA 2.097 60.266 58.200 -0.052 0.000 1.053 785 S CB -0.965 62.252 63.200 0.027 0.000 0.886 785 S HN 0.991 nan 8.310 nan 0.000 0.456 786 Y N 1.790 122.105 120.300 0.024 0.000 2.497 786 Y HA 0.186 4.736 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 0.522 58.643 58.100 0.034 0.000 1.285 786 Y CB -0.531 37.943 38.460 0.024 0.000 0.991 786 Y HN 0.127 nan 8.280 nan 0.000 0.556 787 K N -0.315 119.820 120.400 -0.441 0.000 2.352 787 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 787 K C -0.214 176.462 176.600 0.126 0.000 1.038 787 K CA 0.585 56.785 56.287 -0.144 0.000 1.023 787 K CB 0.244 32.628 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.304 122.739 120.400 0.058 0.000 2.518 788 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 788 D C -0.141 176.231 176.300 0.120 0.000 1.138 788 D CA -0.309 53.796 54.000 0.175 0.000 0.964 788 D CB 0.319 41.144 40.800 0.043 0.000 1.011 788 D HN -0.006 nan 8.370 nan 0.000 0.517 789 R N 1.939 122.515 120.500 0.127 0.000 2.519 789 R HA 0.274 4.614 4.340 -0.000 0.000 0.244 789 R C 1.554 177.863 176.300 0.015 0.000 1.241 789 R CA -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.110 30.232 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.668 119.600 -0.097 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 -0.298 0.000 1.069 790 M CA 2.041 57.167 55.300 -0.291 0.000 1.102 790 M CB -0.032 32.236 32.600 -0.553 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.241 120.090 120.300 0.052 0.000 2.532 791 Y HA 0.300 4.850 4.550 -0.000 0.000 0.283 791 Y C 0.835 176.785 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.390 38.108 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.054 115.868 115.700 0.190 0.000 2.645 792 S HA 0.079 4.549 4.470 -0.000 0.000 0.266 792 S C 0.950 175.696 174.600 0.244 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.585 63.934 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.547 121.575 119.950 0.131 0.000 2.022 793 F HA -0.053 4.474 4.527 -0.000 0.000 0.293 793 F C 1.848 177.814 175.800 0.277 0.000 1.142 793 F CA 1.417 59.508 58.000 0.153 0.000 1.177 793 F CB -0.815 38.216 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.555 121.397 119.950 -0.179 0.000 2.043 794 F HA -0.270 4.257 4.527 0.000 0.000 0.297 794 F C 2.839 178.574 175.800 -0.108 0.000 1.121 794 F CA 2.562 60.392 58.000 -0.283 0.000 1.199 794 F CB -0.715 38.226 39.000 -0.098 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.504 121.068 120.500 0.106 0.000 2.170 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 795 R C 1.340 177.593 176.300 -0.077 0.000 1.145 795 R CA 2.093 58.204 56.100 0.019 0.000 0.984 795 R CB -0.495 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 -0.658 118.007 118.700 -0.059 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.728 174.779 175.510 -0.005 0.000 1.114 796 N CA -0.015 53.031 53.050 -0.006 0.000 0.859 796 N CB 0.299 38.838 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.122 122.859 119.950 -0.355 0.000 2.472 797 F HA 0.180 4.707 4.527 0.000 0.000 0.364 797 F C -0.142 175.520 175.800 -0.229 0.000 1.090 797 F CA -0.194 57.604 58.000 -0.336 0.000 1.188 797 F CB 0.552 39.134 39.000 -0.696 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.615 128.098 119.800 -0.530 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.703 173.009 176.000 -0.481 0.000 0.997 798 Q CA -1.983 53.535 55.803 -0.474 0.000 0.709 798 Q CB 1.619 30.236 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.236 62.670 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.513 31.700 -0.323 0.000 0.940 800 M N 1.119 120.717 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 800 M C -0.307 176.176 176.300 0.306 0.000 1.205 800 M CA -0.311 55.047 55.300 0.097 0.000 0.876 800 M CB 2.602 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 0.387 116.328 115.700 0.402 0.000 2.556 801 S HA 0.875 5.345 4.470 -0.000 0.000 0.271 801 S C -1.498 173.185 174.600 0.137 0.000 1.135 801 S CA -0.936 57.451 58.200 0.312 0.000 0.858 801 S CB 2.586 65.868 63.200 0.137 0.000 1.114 801 S HN 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.763 121.146 120.500 -0.195 0.000 2.728 802 R HA 0.665 5.005 4.340 -0.000 0.000 0.274 802 R C -2.231 173.855 176.300 -0.357 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.399 0.000 0.866 802 R CB 0.684 30.427 30.300 -0.927 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.372 119.999 119.800 -0.289 0.000 2.377 803 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 803 Q C -1.121 174.744 176.000 -0.224 0.000 1.077 803 Q CA -0.753 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.941 31.592 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.747 118.055 119.914 -0.187 0.000 3.078 804 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 804 V C -0.269 175.740 176.094 -0.142 0.000 1.138 804 V CA -1.372 60.837 62.300 -0.152 0.000 1.007 804 V CB 1.394 33.131 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.052 119.888 119.914 -0.130 0.000 2.788 805 V HA 0.194 4.314 4.120 -0.000 0.000 0.307 805 V C 0.390 176.359 176.094 -0.210 0.000 1.069 805 V CA 0.290 62.467 62.300 -0.206 0.000 1.173 805 V CB 0.215 31.904 31.823 -0.224 0.000 0.925 805 V HN 1.044 nan 8.190 nan 0.000 0.492 806 D N 3.737 124.014 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.114 177.262 176.300 -0.254 0.000 1.192 806 D CA -0.350 53.541 54.000 -0.181 0.000 0.882 806 D CB 0.985 41.718 40.800 -0.112 0.000 1.038 806 D HN 0.782 nan 8.370 nan 0.000 0.499 807 D N 1.591 121.730 120.400 -0.434 0.000 2.265 807 D HA -0.202 4.438 4.640 -0.000 0.000 0.208 807 D C 1.342 177.442 176.300 -0.333 0.000 0.977 807 D CA 0.964 54.506 54.000 -0.763 0.000 0.871 807 D CB -0.312 39.952 40.800 -0.894 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.209 110.239 114.554 -0.177 0.000 3.069 808 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 808 T C 1.541 176.215 174.700 -0.044 0.000 1.053 808 T CA 0.749 62.801 62.100 -0.081 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 0.333 4.653 4.320 -0.000 0.000 0.211 809 K C 0.224 176.855 176.600 0.052 0.000 1.259 809 K CA -0.236 56.051 56.287 -0.001 0.000 0.983 809 K CB -0.307 32.188 32.500 -0.008 0.000 1.054 809 K HN 0.500 nan 8.250 nan 0.000 0.572 810 Y N 3.245 123.491 120.300 -0.090 0.000 2.585 810 Y HA 0.370 4.920 4.550 -0.000 0.000 0.354 810 Y C 1.679 177.571 175.900 -0.013 0.000 1.024 810 Y CA -0.204 57.851 58.100 -0.075 0.000 1.321 810 Y CB 0.366 38.741 38.460 -0.141 0.000 1.151 810 Y HN 0.330 nan 8.280 nan 0.000 0.525 811 K N 2.987 123.220 120.400 -0.279 0.000 2.077 811 K HA -0.226 4.094 4.320 -0.000 0.000 0.213 811 K C 1.060 177.426 176.600 -0.389 0.000 1.051 811 K CA 2.524 58.644 56.287 -0.278 0.000 0.929 811 K CB -0.724 31.659 32.500 -0.194 0.000 0.715 811 K HN 0.805 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 0.056 4.696 4.640 -0.000 0.000 0.230 812 D C 0.096 176.203 176.300 -0.322 0.000 1.094 812 D CA -0.389 53.279 54.000 -0.553 0.000 0.856 812 D CB -0.625 39.918 40.800 -0.428 0.000 0.915 812 D HN 0.554 nan 8.370 nan 0.000 0.517 813 Y N 2.352 122.427 120.300 -0.375 0.000 2.904 813 Y HA -0.078 4.472 4.550 0.000 0.000 0.336 813 Y C 0.073 176.050 175.900 0.130 0.000 1.263 813 Y CA 0.565 58.685 58.100 0.034 0.000 1.547 813 Y CB 0.366 38.864 38.460 0.064 0.000 1.272 813 Y HN -0.170 nan 8.280 nan 0.000 0.596 814 Q N 5.436 124.855 119.800 -0.634 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.387 174.200 176.000 -0.689 0.000 1.015 814 Q CA -0.734 54.773 55.803 -0.494 0.000 0.775 814 Q CB 1.891 30.576 28.738 -0.089 0.000 1.256 814 Q HN 0.809 nan 8.270 nan 0.000 0.442 815 Q N 2.265 121.751 119.800 -0.523 0.000 2.452 815 Q HA 0.344 4.684 4.340 -0.000 0.000 0.230 815 Q C -1.021 174.967 176.000 -0.020 0.000 1.180 815 Q CA -0.059 55.650 55.803 -0.158 0.000 0.914 815 Q CB 0.257 29.047 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.536 123.455 119.914 0.010 0.000 2.370 816 V HA 0.631 4.751 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 -0.533 61.773 62.300 0.009 0.000 0.857 816 V CB 1.286 33.094 31.823 -0.025 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.595 111.391 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 -0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 -0.000 0.000 0.303 817 G C 0.864 175.671 174.900 -0.155 0.000 1.237 817 G CA -0.540 44.523 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.671 119.805 120.570 -0.158 0.000 2.194 818 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 818 I C 2.516 178.534 176.117 -0.165 0.000 1.093 818 I CA 1.169 62.367 61.300 -0.170 0.000 1.355 818 I CB -0.807 37.120 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.135 120.943 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.745 178.351 176.870 -0.439 0.000 1.095 819 L CA 1.831 56.449 54.840 -0.369 0.000 0.764 819 L CB -0.793 40.932 42.059 -0.558 0.000 0.897 819 L HN 0.495 nan 8.230 nan 0.000 0.436 820 H N -2.765 116.328 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 -0.000 0.000 0.268 820 H C 0.025 175.347 175.328 -0.010 0.000 1.148 820 H CA -0.420 55.653 56.048 0.041 0.000 1.146 820 H CB 0.478 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 -0.352 175.660 176.000 0.021 0.000 0.915 821 Q CA -0.539 55.171 55.803 -0.155 0.000 0.915 821 Q CB 1.082 29.536 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.973 120.074 119.070 0.052 0.000 2.744 822 H HA 0.528 5.084 4.556 -0.000 0.000 0.339 822 H C -1.435 173.954 175.328 0.101 0.000 1.004 822 H CA -0.903 55.200 56.048 0.091 0.000 1.257 822 H CB 1.312 31.119 29.762 0.076 0.000 1.552 822 H HN 0.489 nan 8.280 nan 0.000 0.522 823 N N 3.552 122.400 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.565 175.123 175.510 0.297 0.000 1.145 823 N CA -0.243 52.924 53.050 0.195 0.000 0.919 823 N CB 0.865 39.338 38.487 -0.022 0.000 1.509 823 N HN 0.863 nan 8.380 nan 0.000 0.537 824 N N -0.147 118.732 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.575 175.178 175.510 0.405 0.000 0.969 824 N CA 1.070 54.338 53.050 0.363 0.000 0.941 824 N CB -1.446 37.219 38.487 0.297 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.556 115.321 115.700 0.296 0.000 2.558 825 S HA 0.362 4.832 4.470 -0.000 0.000 0.293 825 S C 1.623 176.217 174.600 -0.009 0.000 1.292 825 S CA 1.235 59.520 58.200 0.142 0.000 1.063 825 S CB 1.287 64.536 63.200 0.082 0.000 0.831 825 S HN 1.191 nan 8.310 nan 0.000 0.499 826 G N 2.260 110.954 108.800 -0.176 0.000 2.217 826 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 826 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 826 G C 0.192 174.654 174.900 -0.730 0.000 0.990 826 G CA 0.401 45.200 45.100 -0.502 0.000 0.627 826 G HN 0.864 nan 8.290 nan 0.000 0.522 827 F N -0.426 119.538 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 -0.000 0.000 0.323 827 F C 0.817 176.620 175.800 0.005 0.000 1.091 827 F CA -0.241 57.768 58.000 0.015 0.000 1.192 827 F CB 1.134 40.150 39.000 0.026 0.000 1.056 827 F HN 0.167 nan 8.300 nan 0.000 0.571 828 V N -0.402 119.593 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.258 176.370 176.094 0.030 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.920 33.807 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.785 109.579 108.800 -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 -1.259 173.678 174.900 0.061 0.000 1.216 829 G CA 0.010 45.102 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.412 121.675 120.300 -0.061 0.000 2.367 830 Y HA 0.374 4.924 4.550 0.000 0.000 0.342 830 Y C 1.039 176.931 175.900 -0.013 0.000 0.979 830 Y CA -1.008 57.070 58.100 -0.038 0.000 1.161 830 Y CB 0.380 38.809 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.046 125.006 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.119 176.721 176.870 -0.050 0.000 1.177 831 L CA 0.964 55.591 54.840 -0.356 0.000 0.968 831 L CB -1.949 39.715 42.059 -0.659 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.910 120.878 122.820 -0.052 0.000 2.567 832 A HA 0.723 5.043 4.320 -0.000 0.000 0.291 832 A C -2.592 174.917 177.584 -0.125 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.938 19.953 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.159 nan 4.420 nan 0.000 0.243 833 P C 0.490 177.665 177.300 -0.208 0.000 1.668 833 P CA 0.538 63.446 63.100 -0.320 0.000 0.898 833 P CB -0.664 30.795 31.700 -0.401 0.000 1.637 834 T N -4.035 110.428 114.554 -0.151 0.000 2.902 834 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 834 T C 0.610 175.224 174.700 -0.143 0.000 1.048 834 T CA -1.021 60.992 62.100 -0.145 0.000 0.941 834 T CB 0.364 69.139 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.661 121.165 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 4.480 -0.000 0.000 0.329 835 M C 0.279 176.512 176.300 -0.112 0.000 1.101 835 M CA -0.586 54.632 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 2.930 123.381 120.500 -0.081 0.000 2.734 836 R HA 0.282 4.622 4.340 -0.000 0.000 0.266 836 R C -1.008 175.234 176.300 -0.096 0.000 1.044 836 R CA 0.027 56.088 56.100 -0.066 0.000 1.128 836 R CB -0.004 30.273 30.300 -0.039 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.577 119.564 120.200 -0.099 0.000 2.439 837 E HA 0.601 4.951 4.350 -0.000 0.000 0.279 837 E C -0.389 176.125 176.600 -0.145 0.000 1.077 837 E CA -1.060 55.268 56.400 -0.121 0.000 0.849 837 E CB 0.812 30.448 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.524 109.226 108.800 -0.164 0.000 2.545 838 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 838 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 838 G C -1.151 173.624 174.900 -0.208 0.000 1.314 838 G CA 0.024 45.013 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.413 118.265 119.800 -0.203 0.000 2.482 839 Q HA 0.760 5.100 4.340 -0.000 0.000 0.286 839 Q C -0.147 175.789 176.000 -0.107 0.000 1.007 839 Q CA -0.447 55.245 55.803 -0.185 0.000 0.801 839 Q CB 1.571 30.241 28.738 -0.113 0.000 1.455 839 Q HN 2.274 nan 8.270 nan 0.000 0.398 840 A N 1.301 124.075 122.820 -0.078 0.000 2.555 840 A HA 0.400 4.720 4.320 -0.000 0.000 0.233 840 A C -1.100 176.641 177.584 0.262 0.000 1.060 840 A CA 0.701 52.823 52.037 0.143 0.000 0.759 840 A CB -0.054 19.076 19.000 0.218 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.386 120.740 120.300 0.089 0.000 2.554 841 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.261 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.320 39.752 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.631 176.807 177.300 0.230 0.000 1.183 842 P CA 0.333 63.455 63.100 0.035 0.000 0.761 842 P CB 0.369 32.022 31.700 -0.079 0.000 0.785 843 A N 3.541 126.448 122.820 0.145 0.000 2.466 843 A HA 0.114 4.434 4.320 -0.000 0.000 0.238 843 A C 1.170 178.742 177.584 -0.019 0.000 1.074 843 A CA -0.143 51.954 52.037 0.099 0.000 0.774 843 A CB -0.104 18.893 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.071 118.509 118.700 -0.200 0.000 2.177 844 N HA 0.249 4.989 4.740 -0.000 0.000 0.218 844 N C -0.669 174.730 175.510 -0.186 0.000 1.182 844 N CA -0.074 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.313 38.524 38.487 -0.460 0.000 1.052 844 N HN 0.485 nan 8.380 nan 0.000 0.519 845 F N 0.354 120.074 119.950 -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 -0.475 0.000 1.120 845 F CA -1.355 56.398 58.000 -0.412 0.000 0.978 845 F CB 1.605 40.404 39.000 -0.335 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 -1.459 175.432 177.300 -0.682 0.000 1.292 846 P CA -0.211 62.015 63.100 -1.456 0.000 0.800 846 P CB 0.740 31.750 31.700 -1.151 0.000 1.188 847 Y N -0.078 119.950 120.300 -0.453 0.000 2.425 847 Y HA 0.218 4.768 4.550 -0.000 0.000 0.331 847 Y C -1.367 174.393 175.900 -0.233 0.000 1.157 847 Y CA -1.416 56.533 58.100 -0.251 0.000 1.372 847 Y CB -0.865 37.474 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.145 nan 4.420 nan 0.000 0.276 848 P C -0.054 177.199 177.300 -0.078 0.000 1.253 848 P CA 0.124 63.195 63.100 -0.047 0.000 0.766 848 P CB 0.747 32.429 31.700 -0.030 0.000 0.845 849 L N 2.891 124.067 121.223 -0.079 0.000 2.640 849 L HA 0.251 4.591 4.340 -0.000 0.000 0.230 849 L C 1.066 177.892 176.870 -0.073 0.000 1.123 849 L CA 0.113 54.897 54.840 -0.093 0.000 0.900 849 L CB -0.176 41.827 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.009 116.527 120.570 -0.056 0.000 3.206 850 I HA 0.953 5.123 4.170 -0.000 0.000 0.313 850 I C 0.353 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.694 60.582 61.300 -0.041 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 -0.057 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.060 45.029 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.866 119.529 120.400 -0.008 0.000 2.504 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 852 K C 1.852 178.454 176.600 0.002 0.000 1.036 852 K CA 1.355 57.640 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 0.593 115.147 114.554 0.001 0.000 3.044 853 T HA 0.216 4.566 4.350 -0.000 0.000 0.260 853 T C 0.164 174.858 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.864 62.100 0.012 0.000 0.921 853 T CB 0.271 69.154 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.933 124.731 122.820 -0.038 0.000 2.609 854 A HA 0.328 4.648 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 -0.070 51.917 52.037 -0.084 0.000 0.753 854 A CB -0.188 18.768 19.000 -0.073 0.000 0.966 854 A HN 0.478 nan 8.150 nan 0.000 0.510 855 V N 0.786 120.529 119.914 -0.285 0.000 2.953 855 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 855 V C 0.212 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.170 60.806 62.300 -0.540 0.000 1.064 855 V CB 0.731 31.843 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.724 122.987 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 856 D C 0.454 176.658 176.300 -0.160 0.000 1.154 856 D CA 0.683 54.620 54.000 -0.105 0.000 0.876 856 D CB 1.038 41.840 40.800 0.003 0.000 1.161 856 D HN 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.666 117.290 115.700 -0.126 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.483 174.056 174.600 -0.102 0.000 1.115 857 S CA -0.873 57.248 58.200 -0.131 0.000 0.965 857 S CB 2.048 65.170 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.520 121.025 120.570 -0.108 0.000 2.647 858 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 858 I C -0.451 175.610 176.117 -0.095 0.000 1.078 858 I CA -0.070 61.177 61.300 -0.088 0.000 1.048 858 I CB 2.387 40.335 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.796 120.308 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.631 174.041 174.700 -0.046 0.000 0.984 859 T CA -0.557 61.503 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 1.988 121.747 119.800 -0.070 0.000 2.321 860 Q HA 0.487 4.827 4.340 -0.000 0.000 0.270 860 Q C -0.975 175.121 176.000 0.160 0.000 1.032 860 Q CA -0.872 54.939 55.803 0.014 0.000 0.784 860 Q CB 2.347 31.051 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.175 122.717 120.400 0.237 0.000 2.371 861 K HA 0.638 4.958 4.320 -0.000 0.000 0.251 861 K C -0.770 175.992 176.600 0.269 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.339 34.954 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 0.225 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.496 175.202 176.600 0.164 0.000 0.982 862 K CA -0.993 55.360 56.287 0.110 0.000 0.794 862 K CB 1.225 33.668 32.500 -0.095 0.000 1.488 862 K HN 0.529 nan 8.250 nan 0.000 0.360 863 F N -1.334 118.606 119.950 -0.016 0.000 2.744 863 F HA 0.648 5.175 4.527 0.000 0.000 0.311 863 F C -2.376 173.421 175.800 -0.005 0.000 1.144 863 F CA -1.241 56.739 58.000 -0.033 0.000 0.938 863 F CB 0.869 39.934 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 0.714 5.054 4.340 -0.000 0.000 0.269 864 L C -0.630 176.498 176.870 0.430 0.000 1.010 864 L CA -0.836 54.077 54.840 0.123 0.000 0.818 864 L CB 1.797 43.822 42.059 -0.057 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.039 121.601 119.300 0.436 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.438 174.705 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.014 27.069 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.547 122.122 120.400 0.290 0.000 2.354 866 D HA 0.105 4.745 4.640 -0.000 0.000 0.238 866 D C 1.041 177.551 176.300 0.350 0.000 1.250 866 D CA 0.367 54.590 54.000 0.371 0.000 0.911 866 D CB 0.392 41.472 40.800 0.468 0.000 1.163 866 D HN 0.711 nan 8.370 nan 0.000 0.456 867 R N -1.388 119.391 120.500 0.466 0.000 3.358 867 R HA -0.247 4.093 4.340 -0.000 0.000 0.248 867 R C -0.917 175.659 176.300 0.459 0.000 0.981 867 R CA 0.980 57.360 56.100 0.467 0.000 0.662 867 R CB -2.375 28.177 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.182 114.574 114.554 0.335 0.000 2.816 868 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 868 T C -1.066 173.571 174.700 -0.105 0.000 1.230 868 T CA -0.807 61.392 62.100 0.165 0.000 1.007 868 T CB 1.305 70.233 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.823 122.919 121.223 -0.211 0.000 2.346 869 L HA 0.558 4.898 4.340 -0.000 0.000 0.276 869 L C -0.591 176.037 176.870 -0.403 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.441 0.000 0.817 869 L CB 1.683 43.508 42.059 -0.389 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.823 123.777 121.300 -0.576 0.000 2.181 870 W HA 0.329 4.989 4.660 -0.000 0.000 0.335 870 W C 0.289 176.437 176.519 -0.618 0.000 1.310 870 W CA -0.477 56.479 57.345 -0.649 0.000 1.226 870 W CB 0.613 29.354 29.460 -1.198 0.000 1.155 870 W HN 0.301 nan 8.180 nan 0.000 0.565 871 R N 3.241 123.635 120.500 -0.177 0.000 2.686 871 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 871 R C -0.937 175.239 176.300 -0.206 0.000 0.969 871 R CA -0.950 55.035 56.100 -0.193 0.000 0.898 871 R CB 1.854 32.021 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.659 124.233 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.435 173.891 176.117 0.348 0.000 1.089 872 I CA -2.189 59.185 61.300 0.122 0.000 1.103 872 I CB 1.870 39.935 38.000 0.107 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.079 nan 4.420 nan 0.000 0.275 873 P C -0.335 177.226 177.300 0.434 0.000 1.227 873 P CA -0.220 63.019 63.100 0.230 0.000 0.781 873 P CB 0.662 32.461 31.700 0.166 0.000 0.906 874 F N 2.305 122.207 119.950 -0.081 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.396 176.226 175.800 0.049 0.000 1.192 874 F CA -0.142 57.796 58.000 -0.104 0.000 1.317 874 F CB -0.561 38.126 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.266 116.044 115.700 0.130 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.072 175.615 174.600 -0.095 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.007 0.000 0.999 875 S CB 1.273 64.494 63.200 0.036 0.000 1.034 875 S HN 0.474 nan 8.310 nan 0.000 0.483 876 S N 3.551 119.163 115.700 -0.147 0.000 2.407 876 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 876 S C 0.963 175.365 174.600 -0.330 0.000 1.036 876 S CA 1.898 59.971 58.200 -0.213 0.000 1.013 876 S CB -0.732 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.911 nan 8.310 nan 0.000 0.476 877 N N -0.785 117.776 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 -0.000 0.000 0.235 877 N C -0.012 175.524 175.510 0.044 0.000 1.209 877 N CA -0.363 52.601 53.050 -0.142 0.000 0.879 877 N CB -0.674 37.798 38.487 -0.025 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.373 118.642 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 0.000 0.000 0.358 878 F C 0.447 176.261 175.800 0.024 0.000 0.639 878 F CA 0.613 58.661 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 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.273 119.432 119.600 0.175 0.000 2.283 879 M HA 0.372 4.852 4.480 -0.000 0.000 0.314 879 M C 0.681 177.012 176.300 0.051 0.000 1.153 879 M CA -0.103 55.258 55.300 0.102 0.000 1.084 879 M CB 0.811 33.482 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.053 117.766 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.223 174.831 174.600 0.013 0.000 1.093 880 S CA -0.451 57.751 58.200 0.002 0.000 1.077 880 S CB 0.170 63.357 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.268 121.875 119.600 0.012 0.000 2.416 881 M HA 0.330 4.810 4.480 -0.000 0.000 0.337 881 M C 0.604 176.913 176.300 0.015 0.000 1.074 881 M CA -0.195 55.113 55.300 0.014 0.000 0.968 881 M CB 0.915 33.521 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.188 108.621 108.800 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 0.094 175.016 174.900 0.037 0.000 1.603 882 G CA -0.509 44.607 45.100 0.026 0.000 0.961 882 G HN 0.082 nan 8.290 nan 0.000 0.686 883 A N 0.292 123.147 122.820 0.058 0.000 1.892 883 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 883 A C 1.651 179.376 177.584 0.235 0.000 1.188 883 A CA 2.195 54.281 52.037 0.082 0.000 0.631 883 A CB -0.296 18.787 19.000 0.139 0.000 0.822 883 A HN 1.811 nan 8.150 nan 0.000 0.447 884 L N 2.105 123.499 121.223 0.285 0.000 2.334 884 L HA 0.312 4.652 4.340 -0.000 0.000 0.286 884 L C 0.863 177.809 176.870 0.127 0.000 1.108 884 L CA 0.277 55.275 54.840 0.263 0.000 0.875 884 L CB -0.300 41.804 42.059 0.075 0.000 1.246 884 L HN 0.410 nan 8.230 nan 0.000 0.439 885 T N -0.027 114.598 114.554 0.118 0.000 2.795 885 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 885 T C 1.123 175.845 174.700 0.037 0.000 1.069 885 T CA 0.252 62.384 62.100 0.053 0.000 1.071 885 T CB 0.544 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.489 121.887 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.077 178.366 176.300 -0.019 0.000 0.982 886 D CA 1.182 55.174 54.000 -0.013 0.000 0.828 886 D CB -0.579 40.203 40.800 -0.030 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.367 121.525 121.223 -0.108 0.000 2.072 887 L HA 0.076 4.416 4.340 -0.000 0.000 0.205 887 L C 2.706 179.590 176.870 0.023 0.000 1.079 887 L CA 1.302 56.016 54.840 -0.211 0.000 0.752 887 L CB -0.819 40.699 42.059 -0.902 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.190 108.691 108.800 0.134 0.000 2.501 888 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 888 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 888 G C 1.343 176.373 174.900 0.216 0.000 1.114 888 G CA 0.690 45.960 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.227 119.662 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.475 4.340 -0.000 0.000 0.214 889 Q C 0.265 176.337 176.000 0.120 0.000 0.838 889 Q CA -0.598 55.274 55.803 0.115 0.000 0.972 889 Q CB -0.033 28.742 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.629 120.433 118.700 0.174 0.000 2.483 890 N HA 0.018 4.758 4.740 -0.000 0.000 0.264 890 N C 1.012 176.603 175.510 0.136 0.000 1.197 890 N CA 0.078 53.222 53.050 0.157 0.000 0.927 890 N CB 0.895 39.517 38.487 0.226 0.000 1.065 890 N HN 0.332 nan 8.380 nan 0.000 0.461 891 L N 3.063 124.323 121.223 0.062 0.000 2.081 891 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 891 L C 2.200 179.080 176.870 0.015 0.000 1.080 891 L CA 1.148 56.013 54.840 0.041 0.000 0.754 891 L CB -0.410 41.659 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.811 119.368 121.223 -0.073 0.000 2.265 892 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 892 L C 1.859 178.546 176.870 -0.304 0.000 1.117 892 L CA 1.764 56.471 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 42.059 -0.383 0.000 0.914 892 L HN 0.098 nan 8.230 nan 0.000 0.441 893 Y N -0.839 119.502 120.300 0.068 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.243 178.255 175.900 0.186 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.109 0.000 1.283 893 Y CB -0.175 38.358 38.460 0.123 0.000 1.090 893 Y HN 0.282 nan 8.280 nan 0.000 0.526 894 A N -0.143 122.813 122.820 0.227 0.000 1.963 894 A HA 0.031 4.351 4.320 -0.000 0.000 0.207 894 A C 1.596 179.250 177.584 0.115 0.000 1.243 894 A CA 0.536 52.672 52.037 0.165 0.000 0.728 894 A CB -0.256 18.817 19.000 0.122 0.000 0.895 894 A HN 0.210 nan 8.150 nan 0.000 0.467 895 N N 0.853 119.607 118.700 0.089 0.000 2.573 895 N HA -0.003 4.737 4.740 -0.000 0.000 0.187 895 N C 0.094 175.635 175.510 0.052 0.000 1.107 895 N CA 1.022 54.105 53.050 0.055 0.000 0.918 895 N CB -0.053 38.453 38.487 0.032 0.000 0.966 895 N HN 0.592 nan 8.380 nan 0.000 0.448 896 S N -2.281 113.476 115.700 0.096 0.000 2.587 896 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 896 S C -1.173 173.487 174.600 0.100 0.000 1.154 896 S CA -1.071 57.152 58.200 0.037 0.000 0.824 896 S CB 1.480 64.639 63.200 -0.069 0.000 1.118 896 S HN 0.082 nan 8.310 nan 0.000 0.462 897 A N 1.406 124.215 122.820 -0.020 0.000 2.304 897 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 897 A C -0.301 177.224 177.584 -0.098 0.000 1.132 897 A CA -0.450 51.632 52.037 0.075 0.000 0.819 897 A CB 0.277 19.292 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.271 119.032 119.070 0.388 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.257 175.377 175.328 0.510 0.000 1.174 898 H CA -0.217 56.071 56.048 0.399 0.000 1.144 898 H CB 2.224 32.204 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.877 124.967 122.820 0.450 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.988 176.733 177.584 0.229 0.000 1.146 899 A CA -0.536 51.696 52.037 0.325 0.000 0.827 899 A CB 1.017 20.128 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.188 122.493 121.223 0.137 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.608 175.225 176.870 -0.062 0.000 0.986 900 L CA -0.196 54.554 54.840 -0.150 0.000 0.820 900 L CB 2.190 44.041 42.059 -0.348 0.000 1.303 900 L HN 0.672 nan 8.230 nan 0.000 0.411 901 D N 6.357 126.669 120.400 -0.148 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.868 175.331 176.300 -0.167 0.000 1.082 901 D CA -0.206 53.738 54.000 -0.094 0.000 0.839 901 D CB 2.319 43.087 40.800 -0.053 0.000 1.317 901 D HN 0.497 nan 8.370 nan 0.000 0.497 902 M N 0.982 120.493 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 -0.000 0.000 0.308 902 M C -0.838 175.328 176.300 -0.224 0.000 1.127 902 M CA -0.569 54.571 55.300 -0.267 0.000 0.913 902 M CB 2.664 35.106 32.600 -0.263 0.000 1.689 902 M HN 0.071 nan 8.290 nan 0.000 0.445 903 T N 2.762 117.106 114.554 -0.349 0.000 2.906 903 T HA 0.585 4.935 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 -0.388 61.581 62.100 -0.218 0.000 0.988 903 T CB 0.478 69.268 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.709 121.580 119.950 -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 1.364 40.325 39.000 -0.066 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.663 122.942 120.200 0.131 0.000 2.185 905 E HA 0.551 4.901 4.350 -0.000 0.000 0.261 905 E C -1.363 175.254 176.600 0.029 0.000 0.879 905 E CA -0.620 55.810 56.400 0.050 0.000 0.756 905 E CB 1.831 31.536 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.514 120.398 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 906 V C -0.338 175.691 176.094 -0.108 0.000 1.117 906 V CA -1.059 61.146 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 2.604 122.931 120.400 -0.122 0.000 2.372 907 D HA 0.395 5.035 4.640 -0.000 0.000 0.243 907 D C -2.512 173.746 176.300 -0.070 0.000 1.121 907 D CA -0.828 53.131 54.000 -0.067 0.000 0.898 907 D CB 1.161 41.933 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.230 nan 4.420 nan 0.000 0.279 908 P C -0.488 176.803 177.300 -0.015 0.000 1.239 908 P CA -0.187 62.898 63.100 -0.026 0.000 0.789 908 P CB 0.726 32.422 31.700 -0.007 0.000 0.933 909 M N 1.935 121.525 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.251 176.555 176.300 0.007 0.000 1.091 909 M CA -0.653 54.647 55.300 -0.001 0.000 0.919 909 M CB 2.065 34.657 32.600 -0.014 0.000 1.662 909 M HN 0.245 nan 8.290 nan 0.000 0.440 910 D N 0.657 121.071 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.220 176.089 176.300 0.015 0.000 1.187 910 D CA 0.262 54.275 54.000 0.022 0.000 0.900 910 D CB -0.119 40.701 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.448 118.757 120.200 0.009 0.000 2.390 911 E HA 0.453 4.803 4.350 -0.000 0.000 0.277 911 E C -3.177 173.419 176.600 -0.005 0.000 0.939 911 E CA -2.560 53.842 56.400 0.004 0.000 0.769 911 E CB 1.530 31.236 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 nan 4.420 nan 0.000 0.267 912 P C -0.438 176.854 177.300 -0.015 0.000 1.205 912 P CA 0.282 63.374 63.100 -0.014 0.000 0.765 912 P CB 0.766 32.456 31.700 -0.017 0.000 0.828 913 T N 0.740 115.284 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.677 174.018 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.906 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.151 nan 8.240 nan 0.000 0.538 914 L N 0.637 121.864 121.223 0.006 0.000 2.422 914 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 914 L C -1.311 175.607 176.870 0.080 0.000 0.984 914 L CA -1.243 53.619 54.840 0.038 0.000 0.819 914 L CB 2.259 44.331 42.059 0.022 0.000 1.330 914 L HN 0.653 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 0.394 4.734 4.340 -0.000 0.000 0.289 915 L C -1.107 175.922 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.566 42.587 42.059 -0.063 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.052 126.424 120.300 0.121 0.000 2.404 916 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 916 Y C -1.062 174.918 175.900 0.132 0.000 0.970 916 Y CA -1.292 56.892 58.100 0.139 0.000 1.180 916 Y CB 0.883 39.429 38.460 0.144 0.000 1.138 916 Y HN 0.357 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 0.364 4.484 4.120 -0.000 0.000 0.291 917 V C -0.254 175.854 176.094 0.023 0.000 1.024 917 V CA -1.004 61.351 62.300 0.091 0.000 0.861 917 V CB 1.624 33.528 31.823 0.135 0.000 0.985 917 V HN 0.578 nan 8.190 nan 0.000 0.436 918 L N 4.924 126.034 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 918 L C -0.896 175.876 176.870 -0.162 0.000 1.033 918 L CA -0.091 54.668 54.840 -0.135 0.000 0.814 918 L CB 1.123 43.043 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.835 121.752 119.950 -0.055 0.000 2.335 919 F HA 0.224 4.751 4.527 -0.000 0.000 0.365 919 F C 0.972 176.692 175.800 -0.133 0.000 1.122 919 F CA -0.599 57.360 58.000 -0.068 0.000 1.151 919 F CB 0.676 39.463 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.581 123.711 120.200 -0.116 0.000 2.351 920 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 920 E C -0.052 176.418 176.600 -0.217 0.000 1.031 920 E CA -0.215 56.030 56.400 -0.259 0.000 0.911 920 E CB 0.890 30.355 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.090 119.708 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.346 174.562 176.094 -0.311 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.087 32.979 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.202 121.148 119.950 -0.008 0.000 2.411 922 F HA 0.696 5.223 4.527 0.000 0.000 0.352 922 F C -0.068 175.724 175.800 -0.013 0.000 1.123 922 F CA -0.184 57.799 58.000 -0.029 0.000 1.044 922 F CB 1.294 40.290 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.976 124.399 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 -0.000 0.000 0.257 923 D C -1.086 175.209 176.300 -0.008 0.000 1.148 923 D CA 0.023 54.019 54.000 -0.007 0.000 0.902 923 D CB 1.111 41.791 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 0.206 0.000 3.001 924 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 924 V C -0.099 176.157 176.094 0.271 0.000 1.099 924 V CA -0.852 61.607 62.300 0.264 0.000 0.989 924 V CB 2.356 34.284 31.823 0.174 0.000 1.040 924 V HN 0.257 nan 8.190 nan 0.000 0.434 925 V N 1.808 121.834 119.914 0.187 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.519 175.551 176.094 -0.041 0.000 1.090 925 V CA -0.849 61.387 62.300 -0.108 0.000 0.930 925 V CB 2.115 33.692 31.823 -0.409 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.963 122.412 120.500 -0.084 0.000 2.439 926 R HA 0.728 5.068 4.340 -0.000 0.000 0.310 926 R C -1.753 174.539 176.300 -0.014 0.000 0.955 926 R CA -0.366 55.709 56.100 -0.041 0.000 0.853 926 R CB 1.997 32.279 30.300 -0.031 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.673 124.604 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.045 176.212 176.094 0.122 0.000 1.031 927 V CA -0.618 61.727 62.300 0.075 0.000 0.881 927 V CB 1.221 33.108 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.508 124.587 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 928 H C -0.425 174.918 175.328 0.024 0.000 1.091 928 H CA -0.829 55.224 56.048 0.009 0.000 1.207 928 H CB 1.371 31.138 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.885 126.164 120.500 -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 -0.391 0.000 1.456 929 R CA -1.692 54.257 56.100 -0.252 0.000 1.612 929 R CB 0.483 30.737 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.146 nan 4.420 nan 0.000 0.216 930 P C -0.519 176.345 177.300 -0.728 0.000 1.153 930 P CA 1.507 64.200 63.100 -0.677 0.000 0.858 930 P CB 0.269 31.657 31.700 -0.520 0.000 0.789 931 H N -3.852 115.181 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.007 175.315 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.915 56.048 -0.024 0.000 1.124 931 H CB 0.867 30.622 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.022 121.605 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 932 R C 0.309 176.609 176.300 0.000 0.000 0.953 932 R CA 1.408 57.541 56.100 0.055 0.000 1.098 932 R CB -0.516 29.803 30.300 0.031 0.000 0.911 932 R HN 1.096 nan 8.270 nan 0.000 0.407 933 G N 2.604 111.354 108.800 -0.082 0.000 2.273 933 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 933 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 933 G C -0.386 174.470 174.900 -0.073 0.000 1.047 933 G CA 0.273 45.206 45.100 -0.279 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.120 121.082 119.914 0.080 0.000 2.488 934 V HA 0.565 4.685 4.120 -0.000 0.000 0.293 934 V C 0.170 176.356 176.094 0.152 0.000 1.027 934 V CA -0.762 61.609 62.300 0.120 0.000 0.862 934 V CB 1.644 33.543 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.206 123.884 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.912 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.677 39.776 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.557 124.843 120.200 0.143 0.000 2.183 936 E HA 0.569 4.919 4.350 -0.000 0.000 0.271 936 E C -0.596 176.092 176.600 0.148 0.000 0.919 936 E CA -0.749 55.747 56.400 0.160 0.000 0.781 936 E CB 2.446 32.262 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.591 113.048 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.556 174.208 174.700 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 0.085 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.684 122.609 119.914 0.018 0.000 2.380 938 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 938 V C -1.389 174.728 176.094 0.038 0.000 1.015 938 V CA -0.906 61.437 62.300 0.071 0.000 0.834 938 V CB 0.421 32.270 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.944 125.314 120.300 0.116 0.000 2.334 939 Y HA 0.744 5.294 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 -0.823 57.368 58.100 0.152 0.000 1.163 939 Y CB 1.759 40.326 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.495 125.893 121.223 0.292 0.000 2.516 940 L HA 0.514 4.854 4.340 -0.000 0.000 0.267 940 L C -1.377 175.622 176.870 0.215 0.000 0.957 940 L CA -0.802 54.159 54.840 0.203 0.000 0.860 940 L CB 1.560 43.694 42.059 0.125 0.000 1.265 940 L HN 0.649 nan 8.230 nan 0.000 0.403 941 R N 3.584 124.200 120.500 0.193 0.000 2.371 941 R HA 0.728 5.068 4.340 -0.000 0.000 0.312 941 R C -1.496 174.906 176.300 0.171 0.000 0.980 941 R CA -0.035 56.180 56.100 0.191 0.000 0.867 941 R CB 1.149 31.564 30.300 0.192 0.000 1.163 941 R HN 0.835 nan 8.270 nan 0.000 0.492 942 T N 2.267 116.940 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 942 T C -2.729 172.143 174.700 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 0.439 nan 4.420 nan 0.000 0.312 943 P C -0.234 177.207 177.300 0.236 0.000 1.307 943 P CA -0.585 62.604 63.100 0.149 0.000 0.738 943 P CB -0.128 31.570 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 0.188 58.092 58.000 -0.160 0.000 0.978 944 F CB -2.783 36.129 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.065 115.784 115.700 0.032 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 -0.329 57.904 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 0.726 nan 8.310 nan 0.000 0.506 946 A N 0.000 122.868 122.820 0.080 0.000 2.254 946 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 946 A CA 0.000 52.076 52.037 0.066 0.000 0.836 946 A CB 0.000 19.046 19.000 0.077 0.000 0.831 946 A HN 0.000 nan 8.150 nan 0.000 0.486